A0A077ZJ69_TRITR Loading...

HSL N and Abhydrolase 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 766 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
1M26.6Very low40.3Very low235 Ų235112.7 Ų112.7100%1.15862%0.615SS**  0-32.50-76.7-165.216700113.5Q3M1-Q3 PolarHBondContact O-N 3.42Å; M1-Q3 VanDerWaalsContact O-N 3.09Å
2A28.3Very low43.8Very low107 Ų107103.4 Ų103.488%0.88456%0.564SS**THydrogen-bonded Turntrans-68.70.2178.800000117.2
3Q26.3Very low47.1Very low182 Ų18295.9 Ų95.985%0.8552%0.523SS*.THydrogen-bonded Turntrans-102-0.4-177.1-79.9179.9-16.800114.7M1M1-Q3 PolarHBondContact O-N 3.42Å; M1-Q3 VanDerWaalsContact O-N 3.09Å
4K27.3Very low50Low189 Ų18989.1 Ų89.182%0.82249%0.486SS*.  trans-125.118.8-174-92.9-170.5177.9-175.70114.9Q6K4-Q6 PolarHBondContact O-N 3.34Å
5A28.4Very low52.7Low91 Ų9186.7 Ų86.775%0.75247%0.472SS*.  trans-72.883.9172.500000109.5A7A5-A7 PolarHBondContact O-N 3.28Å
6Q28Very low55.1Low114 Ų11482.2 Ų82.253%0.53345%0.446SS..  trans-45.1134.5140.8-73.8167.1-48.600106.1K4 Y8K4-Q6 PolarHBondContact O-N 3.34Å; Q6-Y8 HydrophobicContact CB-CD2 4.04Å; Q6-Y8 HydrophobicContact CB-CE2 3.61Å; Q6-Y8 WeakPolarHBondContact O-CD2 3.45Å; Q6-Y8 PolarHBondContact O-N 3.46Å; Q6-Y8 PolarHBondContact OE1-OH 3.08Å
7A36.5Very low57.2Low88 Ų8880.1 Ų80.173%0.72744%0.437SS*.  trans-69.474.8-17800000109.4A5 S9 T582A5-A7 PolarHBondContact O-N 3.28Å; A7-S9 PolarHBondContact O-N 3.23Å; A7-T582 PolarHBondContact O-OG1 3Å
8Y35.4Very low59.2Low75 Ų7576.4 Ų76.429%0.29442%0.419SS..PPolyproline II helixtrans-70.1118.9164.7-66-72.2000106.3Q6 H10 V579 R581Q6-Y8 HydrophobicContact CB-CD2 4.04Å; Q6-Y8 HydrophobicContact CB-CE2 3.61Å; Q6-Y8 WeakPolarHBondContact O-CD2 3.45Å; Q6-Y8 PolarHBondContact O-N 3.46Å; Q6-Y8 PolarHBondContact OE1-OH 3.08Å; Y8-H10 PolarHBondContact O-N 3.37Å; Y8-V579 HydrophobicContact CD1-CG1 3.56Å; Y8-V579 HydrophobicContact CE1-CG1 4.34Å; Y8-V579 HydrophobicContact CG-CG1 3.87Å; Y8-R581 HydrophobicContact CD1-CG 4.5Å; Y8-R581 HydrophobicContact CE1-CB 4.42Å; Y8-R581 HydrophobicContact CE1-CG 3.96Å
9S54.8Low61Low23 Ų2372.6 Ų72.616%0.16140%0.398CS..EExtended strand (participates in β ladder)trans-76.9118.6163.1440000107.8A7 Y11 N580A7-S9 PolarHBondContact O-N 3.23Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.09Å; S9-N580 PolarHBondContact O-N 3.19Å; S9-N580 VanDerWaalsContact O-N 3.15Å
10H71.7Confident62.7Low72 Ų7269.2 Ų69.233%0.33338%0.379SS..EExtended strand (participates in β ladder)trans-87.7124.3175.1-67.2-69.7000108.2Y8 A554 D555Y8-H10 PolarHBondContact O-N 3.37Å; H10-A554 HydrophobicContact CB-CB 3.91Å; H10-A554 WeakPolarHBondContact O-CB 3.39Å; H10-A554 PolarHBondContact O-N 2.79Å; H10-D555 IonicContact CD2-OD1 3.71Å; H10-D555 PolarHBondContact N-OD2 3.3Å
11Y80.1Confident64.2Low64 Ų6468.5 Ų68.525%0.25138%0.379SS..EExtended strand (participates in β ladder)trans-113154171-67.2-94.9000109.1S9 L552 P553 I578 N580S9-Y11 WeakPolarHBondContact OG-CE2 3.09Å; Y11-L552 CarbonylContact C-O 3.6Å; Y11-L552 VanDerWaalsContact CA-O 3.25Å; Y11-L552 WeakPolarHBondContact CA-O 3.48Å; Y11-P553 HydrophobicContact CD1-CB 4.43Å; Y11-P553 HydrophobicContact CE1-CB 4.25Å; Y11-I578 PolarHBondContact N-O 3.27Å; Y11-I578 PolarHBondContact O-N 2.94Å; Y11-I578 VanDerWaalsContact O-O 3.11Å; Y11-N580 HydrophobicContact CD2-CB 4.41Å; Y11-N580 HydrophobicContact CE2-CB 4.29Å
12F82.7Confident67.5Low1 Ų157.3 Ų57.30%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-117.4143.4161.668.1-87.1000110.1V14 L96 L552 A554 L562 L565 F575 Q576F12-V14 HydrophobicContact CD2-CB 4.44Å; F12-V14 HydrophobicContact CD2-CG1 4.24Å; F12-V14 HydrophobicContact CE2-CG1 3.98Å; F12-L96 HydrophobicContact CE1-CD2 4.31Å; F12-L96 HydrophobicContact CZ-CD1 3.77Å; F12-L96 HydrophobicContact CZ-CD2 3.88Å; F12-L552 HydrophobicContact CD1-CB 4.32Å; F12-L552 WeakPolarHBondContact CD1-O 3.49Å; F12-L552 HydrophobicContact CE1-CB 3.69Å; F12-L552 HydrophobicContact CE2-CB 4.01Å; F12-L552 HydrophobicContact CE2-CD1 3.98Å; F12-L552 HydrophobicContact CZ-CB 3.52Å; F12-L552 HydrophobicContact CZ-CD1 3.92Å; F12-L552 HydrophobicContact CZ-CG 4.35Å; F12-L552 PolarHBondContact N-O 3.15Å; F12-L552 PolarHBondContact O-N 2.77Å; F12-A554 HydrophobicContact CD1-CB 4.22Å; F12-L562 HydrophobicContact CD1-CD2 4.21Å; F12-L562 HydrophobicContact CE1-CD2 4.31Å; F12-L565 HydrophobicContact CE2-CD1 4.06Å; F12-L565 HydrophobicContact CZ-CD1 3.98Å; F12-F575 HydrophobicContact CB-CE2 3.8Å; F12-F575 HydrophobicContact CB-CZ 3.76Å; F12-F575 HydrophobicContact CD2-CD2 4.18Å; F12-F575 AromaticContact CD2-CE2 3.61Å; F12-F575 HydrophobicContact CD2-CE2 3.61Å; F12-F575 HydrophobicContact CD2-CZ 4.4Å; F12-F575 HydrophobicContact CE2-CE2 4.38Å; F12-F575 AromaticContact CG-CE2 3.81Å; F12-F575 HydrophobicContact CG-CE2 3.81Å; F12-F575 HydrophobicContact CG-CZ 4.15Å; F12-Q576 CarbonylContact C-O 3.59Å; F12-Q576 WeakPolarHBondContact CA-O 3.35Å
13E86.2Confident70.7Confident6 Ų652.2 Ų52.23%0.02828%0.282CS..EExtended strand (participates in β ladder)trans-100140.6168.7-87.2-173.3-171.500110.1K549 S550 R551 F575 Q576 I578E13-K549 WeakPolarHBondContact OE2-CD 3.48Å; E13-K549 IonicContact OE2-NZ 3.76Å; E13-K549 PolarHBondContact OE2-NZ 2.77Å; E13-S550 VanDerWaalsContact CA-O 3.26Å; E13-S550 WeakPolarHBondContact CA-O 3.42Å; E13-R551 HydrophobicContact CG-CG 3.53Å; E13-R551 IonicContact OE1-CZ 2.72Å; E13-R551 IonicContact OE1-NE 2.86Å; E13-R551 PolarHBondContact OE1-NE 3.24Å; E13-R551 IonicContact OE1-NH2 2.74Å; E13-R551 PolarHBondContact OE1-NH2 3.43Å; E13-F575 WeakPolarHBondContact O-CA 3.25Å; E13-Q576 HydrophobicContact CB-CB 4.34Å; E13-Q576 PolarHBondContact N-O 3Å; E13-Q576 PolarHBondContact O-N 2.99Å; E13-I578 HydrophobicContact CB-CD1 4.42Å; E13-I578 HydrophobicContact CG-CD1 3.58Å; E13-I578 HydrophobicContact CG-CG1 4.46Å; E13-I578 WeakPolarHBondContact OE1-CD1 3.3Å
14V88.4Confident74.1Confident0 Ų044.2 Ų44.20%025%0.246CC..EExtended strand (participates in β ladder)trans-152.1152.1174.265.50000110.5F12 M19 S550 L571F12-V14 HydrophobicContact CD2-CB 4.44Å; F12-V14 HydrophobicContact CD2-CG1 4.24Å; F12-V14 HydrophobicContact CE2-CG1 3.98Å; V14-M19 HydrophobicContact CB-CG 4.14Å; V14-M19 HydrophobicContact CG1-CG 3.37Å; V14-M19 HydrophobicContact CG1-SD 3.91Å; V14-M19 HydrophobicContact CG2-CG 3.65Å; V14-M19 HydrophobicContact CG2-SD 3.93Å; V14-S550 PolarHBondContact N-O 3.39Å; V14-S550 VanDerWaalsContact N-O 3.08Å; V14-S550 PolarHBondContact O-N 2.79Å; V14-L571 HydrophobicContact CG2-CB 4.39Å; V14-L571 HydrophobicContact CG2-CD1 4.2Å; V14-L571 HydrophobicContact CG2-CD2 3.71Å; V14-L571 HydrophobicContact CG2-CG 4.32Å
15D89.8Confident77.3Confident54 Ų5438.8 Ų38.829%0.28923%0.225SC..EExtended strand (participates in β ladder)trans-70.5133.3173.4179.4-88.8000111.4V17 A18 M19 S574D15-V17 WeakPolarHBondContact OD1-CA 3.42Å; D15-V17 WeakPolarHBondContact OD1-CB 3.24Å; D15-V17 PolarHBondContact OD1-N 3.06Å; D15-A18 HydrophobicContact CB-CB 3.91Å; D15-A18 PolarHBondContact O-N 3.19Å; D15-A18 PolarHBondContact OD1-N 3.42Å; D15-M19 PolarHBondContact O-N 3.23Å; D15-S574 PolarHBondContact N-OG 2.84Å
16R91.2Very high80.6Confident14 Ų1434.7 Ų34.75%0.05319%0.191CC..Hα-helixtrans-64.2-41.4-177.7-79.2-175-170.686.74113.1A18 M19 I20 I63 D92 A547 M548 K549 S550R16-A18 VanDerWaalsContact C-N 3.33Å; R16-M19 PolarHBondContact O-N 3.34Å; R16-I20 WeakPolarHBondContact O-CG1 3.41Å; R16-I20 PolarHBondContact O-N 3.06Å; R16-I63 HydrophobicContact CB-CG2 4.45Å; R16-I63 VanDerWaalsContact CD-CG2 3.44Å; R16-D92 WeakPolarHBondContact CD-OD1 3.25Å; R16-D92 WeakPolarHBondContact CG-OD1 3.42Å; R16-D92 IonicContact CZ-OD1 3.09Å; R16-D92 IonicContact CZ-OD2 3.06Å; R16-D92 VanDerWaalsContact NE-CG 3.34Å; R16-D92 IonicContact NE-OD1 2.99Å; R16-D92 PolarHBondContact NE-OD1 3.48Å; R16-D92 IonicContact NE-OD2 3.15Å; R16-D92 PolarHBondContact NE-OD2 2.92Å; R16-D92 IonicContact NH2-OD1 3.98Å; R16-D92 IonicContact NH2-OD2 2.74Å; R16-D92 PolarHBondContact NH2-OD2 3.2Å; R16-A547 PolarHBondContact NH1-O 2.96Å; R16-M548 PolarHBondContact NH1-O 3.18Å; R16-M548 VanDerWaalsContact NH1-O 3.13Å; R16-K549 VanDerWaalsContact NH1-C 3.26Å; R16-K549 PolarHBondContact NH1-O 3.12Å; R16-K549 PolarHBondContact NH2-O 2.95Å; R16-S550 WeakPolarHBondContact CG-OG 3.27Å
17V91.6Very high83.8Confident47 Ų4729.5 Ų29.529%0.28517%0.166SC..Hα-helixtrans-68.9-38.1-178.4-176.50000110.1D15 I20 S21 T60 L64D15-V17 WeakPolarHBondContact OD1-CA 3.42Å; D15-V17 WeakPolarHBondContact OD1-CB 3.24Å; D15-V17 PolarHBondContact OD1-N 3.06Å; V17-I20 PolarHBondContact O-N 2.78Å; V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 3.31Å; V17-S21 PolarHBondContact O-OG 3.21Å; V17-T60 HydrophobicContact CG1-CG2 4.43Å; V17-T60 HydrophobicContact CG2-CG2 4.21Å; V17-L64 HydrophobicContact CG2-CD1 4.28Å; V17-L64 HydrophobicContact CG2-CD2 3.9Å; V17-L64 HydrophobicContact CG2-CG 4.34Å
18A92.1Very high86.6Confident14 Ų1428.6 Ų28.612%0.11615%0.149CC..Hα-helixtrans-62-43.1172.300000111.7D15 R16 S21 L22 I570 L571D15-A18 HydrophobicContact CB-CB 3.91Å; D15-A18 PolarHBondContact O-N 3.19Å; D15-A18 PolarHBondContact OD1-N 3.42Å; R16-A18 VanDerWaalsContact C-N 3.33Å; A18-S21 WeakPolarHBondContact O-CB 3.1Å; A18-S21 PolarHBondContact O-N 3.3Å; A18-L22 PolarHBondContact O-N 3.43Å; A18-I570 HydrophobicContact CB-CG2 4.18Å; A18-I570 WeakPolarHBondContact O-CG2 3.42Å; A18-L571 HydrophobicContact CB-CD2 3.74Å
19M93.2Very high89.3Confident3 Ų328.2 Ų28.22%0.01515%0.152CC..Hα-helixtrans-64.8-40.1175.2-76.4-64.8-72.900113.2V14 D15 R16 S21 L22 A23 L95 L96 V99 L565 L571V14-M19 HydrophobicContact CB-CG 4.14Å; V14-M19 HydrophobicContact CG1-CG 3.37Å; V14-M19 HydrophobicContact CG1-SD 3.91Å; V14-M19 HydrophobicContact CG2-CG 3.65Å; V14-M19 HydrophobicContact CG2-SD 3.93Å; D15-M19 PolarHBondContact O-N 3.23Å; R16-M19 PolarHBondContact O-N 3.34Å; M19-S21 VanDerWaalsContact C-N 3.33Å; M19-L22 PolarHBondContact O-N 3.03Å; M19-L22 HydrophobicContact SD-CD2 4.47Å; M19-A23 PolarHBondContact O-N 3.3Å; M19-L95 HydrophobicContact CB-CD2 3.62Å; M19-L95 HydrophobicContact CB-CG 4.41Å; M19-L96 HydrophobicContact CE-CD1 3.96Å; M19-V99 HydrophobicContact CE-CB 4.3Å; M19-V99 HydrophobicContact CE-CG1 4.23Å; M19-V99 HydrophobicContact CE-CG2 4.07Å; M19-L565 HydrophobicContact SD-CD2 4.43Å; M19-L571 HydrophobicContact CG-CD2 4.3Å; M19-L571 HydrophobicContact SD-CD1 3.6Å; M19-L571 HydrophobicContact SD-CD2 3.9Å; M19-L571 HydrophobicContact SD-CG 4.41Å
20I95Very high91.1Very high4 Ų427.1 Ų27.12%0.02115%0.145CC..Hα-helixtrans-60.2-46.3173.1-70.3168.5000110R16 V17 L22 A23 V24 L56 F91 L95R16-I20 WeakPolarHBondContact O-CG1 3.41Å; R16-I20 PolarHBondContact O-N 3.06Å; V17-I20 PolarHBondContact O-N 2.78Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 2.69Å; I20-A23 WeakPolarHBondContact O-CB 3.3Å; I20-A23 PolarHBondContact O-N 3.4Å; I20-V24 WeakPolarHBondContact O-CG2 3.25Å; I20-V24 PolarHBondContact O-N 2.92Å; I20-L56 HydrophobicContact CG2-CB 4.23Å; I20-F91 HydrophobicContact CD1-CE1 4.32Å; I20-F91 HydrophobicContact CD1-CZ 3.87Å; I20-F91 HydrophobicContact CG1-CZ 3.94Å; I20-L95 HydrophobicContact CG1-CD2 3.89Å
21S94.7Very high92Very high55 Ų5524.9 Ų24.939%0.38514%0.139SC..Hα-helixtrans-61.6-40.7179.2-57.40000111.8V17 A18 M19 V24 L25V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 3.31Å; V17-S21 PolarHBondContact O-OG 3.21Å; A18-S21 WeakPolarHBondContact O-CB 3.1Å; A18-S21 PolarHBondContact O-N 3.3Å; M19-S21 VanDerWaalsContact C-N 3.33Å; S21-V24 PolarHBondContact O-N 3.13Å; S21-L25 PolarHBondContact O-N 3.07Å
22L95.5Very high92.5Very high0 Ų030.1 Ų30.10%016%0.159CC..Hα-helixtrans-63.4-43.8174178.961.2000112.1A18 M19 I20 V24 L25 L26 V99 F564 L565 N568 I570 L571A18-L22 PolarHBondContact O-N 3.43Å; M19-L22 PolarHBondContact O-N 3.03Å; M19-L22 HydrophobicContact SD-CD2 4.47Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 2.69Å; L22-V24 VanDerWaalsContact C-N 3.32Å; L22-V24 PolarHBondContact O-N 2.98Å; L22-L25 PolarHBondContact O-N 3.49Å; L22-L26 HydrophobicContact CD1-CD1 4.34Å; L22-L26 HydrophobicContact CD1-CG 4.29Å; L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.95Å; L22-V99 HydrophobicContact CD2-CG1 4.06Å; L22-V99 HydrophobicContact CG-CG1 4.48Å; L22-F564 HydrophobicContact CD1-CZ 3.97Å; L22-F564 HydrophobicContact CD2-CE1 4.03Å; L22-F564 HydrophobicContact CD2-CZ 4.27Å; L22-L565 HydrophobicContact CD2-CD2 3.85Å; L22-N568 WeakPolarHBondContact CD1-ND2 3.29Å; L22-I570 HydrophobicContact CD1-CD1 4.34Å; L22-L571 HydrophobicContact CB-CD2 4.5Å; L22-L571 HydrophobicContact CD2-CD1 3.55Å; L22-L571 HydrophobicContact CD2-CD2 4.41Å; L22-L571 HydrophobicContact CD2-CG 3.99Å
23A96.5Very high92.7Very high0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-59.2-44.2176.800000111.3M19 I20 L26 I27 L56 L95 V99M19-A23 PolarHBondContact O-N 3.3Å; I20-A23 WeakPolarHBondContact O-CB 3.3Å; I20-A23 PolarHBondContact O-N 3.4Å; A23-L26 PolarHBondContact O-N 3.38Å; A23-I27 VanDerWaalsContact O-CG1 3.3Å; A23-I27 WeakPolarHBondContact O-CG1 3.31Å; A23-I27 PolarHBondContact O-N 2.79Å; A23-L56 HydrophobicContact CB-CD1 3.81Å; A23-L95 HydrophobicContact CB-CD1 3.91Å; A23-V99 HydrophobicContact CB-CG2 3.68Å
24V96.8Very high92.6Very high15 Ų1531.1 Ų31.19%0.09116%0.164CC..Hα-helixtrans-61.5-44176.91720000111.8I20 S21 L22 L26 I27 D28 K53 L56I20-V24 WeakPolarHBondContact O-CG2 3.25Å; I20-V24 PolarHBondContact O-N 2.92Å; S21-V24 PolarHBondContact O-N 3.13Å; L22-V24 VanDerWaalsContact C-N 3.32Å; L22-V24 PolarHBondContact O-N 2.98Å; V24-L26 PolarHBondContact O-N 3.34Å; V24-I27 WeakPolarHBondContact O-CB 3.25Å; V24-I27 PolarHBondContact O-N 2.95Å; V24-D28 PolarHBondContact O-N 2.94Å; V24-K53 HydrophobicContact CG1-CD 4.26Å; V24-K53 HydrophobicContact CG1-CG 4.16Å; V24-L56 HydrophobicContact CG2-CB 4.2Å; V24-L56 HydrophobicContact CG2-CD1 4.33Å
25L95.9Very high92.5Very high74 Ų7436.3 Ų36.339%0.38719%0.192SC..Hα-helixtrans-60.9-45.3176.2-178.967.4000111.7S21 L22 I27 D28 D29 I570S21-L25 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 3.49Å; L25-I27 VanDerWaalsContact C-N 3.28Å; L25-I27 PolarHBondContact O-N 2.81Å; L25-D28 PolarHBondContact O-N 2.82Å; L25-D28 VanDerWaalsContact O-N 3.13Å; L25-D29 PolarHBondContact O-N 3.06Å; L25-I570 HydrophobicContact CD2-CD1 3.89Å
26L95.8Very high92.2Very high6 Ų636.8 Ų36.83%0.03120%0.203CC..Hα-helixtrans-65.5-30.2179-72.3172.5000113L22 A23 V24 F30 V99 L102 V106 F564L22-L26 HydrophobicContact CD1-CD1 4.34Å; L22-L26 HydrophobicContact CD1-CG 4.29Å; L22-L26 HydrophobicContact CG-CD1 4.14Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 2.95Å; A23-L26 PolarHBondContact O-N 3.38Å; V24-L26 PolarHBondContact O-N 3.34Å; L26-F30 VanDerWaalsContact O-CB 3.3Å; L26-F30 WeakPolarHBondContact O-CB 3.45Å; L26-F30 PolarHBondContact O-N 3.48Å; L26-V99 HydrophobicContact CD1-CG1 3.94Å; L26-L102 HydrophobicContact CB-CB 3.82Å; L26-L102 HydrophobicContact CB-CD1 4.05Å; L26-L102 HydrophobicContact CB-CG 4.48Å; L26-L102 HydrophobicContact CD1-CB 4.21Å; L26-V106 HydrophobicContact CD2-CG2 4.31Å; L26-F564 HydrophobicContact CD1-CE1 4.29Å; L26-F564 HydrophobicContact CD1-CZ 4.14Å; L26-F564 HydrophobicContact CD2-CZ 4.03Å; L26-F564 HydrophobicContact CG-CZ 4.47Å
27I96Very high91.7Very high4 Ų439.7 Ų39.72%0.02122%0.217CC..Hα-helixtrans-62.9-46.7171.4-71.2165.1000110.1A23 V24 L25 F30 A31 L49 L52 K53 L56 L102A23-I27 VanDerWaalsContact O-CG1 3.3Å; A23-I27 WeakPolarHBondContact O-CG1 3.31Å; A23-I27 PolarHBondContact O-N 2.79Å; V24-I27 WeakPolarHBondContact O-CB 3.25Å; V24-I27 PolarHBondContact O-N 2.95Å; L25-I27 VanDerWaalsContact C-N 3.28Å; L25-I27 PolarHBondContact O-N 2.81Å; I27-F30 PolarHBondContact O-N 3.29Å; I27-A31 WeakPolarHBondContact O-CB 3.45Å; I27-A31 PolarHBondContact O-N 3.39Å; I27-L49 HydrophobicContact CG2-CB 4.1Å; I27-L49 HydrophobicContact CG2-CD2 4.2Å; I27-L52 HydrophobicContact CD1-CB 4.31Å; I27-L52 HydrophobicContact CD1-CD2 3.97Å; I27-L52 HydrophobicContact CD1-CG 3.82Å; I27-K53 HydrophobicContact CD1-CB 4.28Å; I27-K53 HydrophobicContact CG2-CB 4.34Å; I27-L56 HydrophobicContact CD1-CD1 3.79Å; I27-L102 HydrophobicContact CD1-CD1 4.44Å; I27-L102 HydrophobicContact CG1-CD1 3.68Å; I27-L102 HydrophobicContact CG1-CD2 4.04Å
28D94.9Very high90.7Very high69 Ų6946.6 Ų46.637%0.36924%0.244SC..Hα-helixtrans-64.8-43.7179.6-70.9-24.3000111.6V24 L25 F30 A31 Y32 K53V24-D28 PolarHBondContact O-N 2.94Å; L25-D28 PolarHBondContact O-N 2.82Å; L25-D28 VanDerWaalsContact O-N 3.13Å; D28-F30 PolarHBondContact O-N 3.48Å; D28-A31 PolarHBondContact O-N 3.28Å; D28-Y32 WeakPolarHBondContact O-CB 3.09Å; D28-Y32 PolarHBondContact O-N 3.09Å; D28-K53 IonicContact OD1-NZ 3.6Å; D28-K53 PolarHBondContact OD1-NZ 3.17Å; D28-K53 IonicContact OD2-NZ 2.9Å; D28-K53 PolarHBondContact OD2-NZ 3.37Å
29D93.2Very high89.5Confident67 Ų6750.8 Ų50.836%0.35826%0.259SS..Hα-helixtrans-60.6-45.1175.6-74.9-18.8000111.7L25 Y32 I33 V106L25-D29 PolarHBondContact O-N 3.06Å; D29-Y32 PolarHBondContact O-N 3.48Å; D29-I33 WeakPolarHBondContact O-CB 3.21Å; D29-I33 WeakPolarHBondContact O-CG1 3.47Å; D29-I33 PolarHBondContact O-N 2.87Å; D29-V106 HydrophobicContact CB-CG1 4.23Å; D29-V106 HydrophobicContact CB-CG2 4.04Å
30F92Very high87.8Confident0 Ų056.5 Ų56.50%030%0.3CS..Hα-helixtrans-66.6-42.9178.9179.7-124000111.9L26 I27 D28 Y32 I33 R34 V45 L49 L102 L105 V106 E121 L124L26-F30 VanDerWaalsContact O-CB 3.3Å; L26-F30 WeakPolarHBondContact O-CB 3.45Å; L26-F30 PolarHBondContact O-N 3.48Å; I27-F30 PolarHBondContact O-N 3.29Å; D28-F30 PolarHBondContact O-N 3.48Å; F30-Y32 VanDerWaalsContact C-N 3.32Å; F30-Y32 PolarHBondContact O-N 3.04Å; F30-I33 PolarHBondContact O-N 3.12Å; F30-R34 VanDerWaalsContact O-CB 3.29Å; F30-R34 WeakPolarHBondContact O-CB 3.34Å; F30-R34 PolarHBondContact O-N 3.44Å; F30-V45 HydrophobicContact CE1-CG1 4.15Å; F30-L49 HydrophobicContact CD1-CD1 3.72Å; F30-L49 HydrophobicContact CD1-CD2 3.88Å; F30-L49 HydrophobicContact CD1-CG 4.41Å; F30-L49 HydrophobicContact CE1-CD1 4.02Å; F30-L49 HydrophobicContact CE1-CD2 4.35Å; F30-L102 HydrophobicContact CB-CD2 4.44Å; F30-L102 HydrophobicContact CD1-CD2 4.46Å; F30-L105 HydrophobicContact CD1-CD1 4.36Å; F30-L105 HydrophobicContact CD2-CB 3.69Å; F30-L105 HydrophobicContact CE1-CD1 3.98Å; F30-L105 HydrophobicContact CE2-CB 3.7Å; F30-L105 HydrophobicContact CE2-CD1 4.18Å; F30-L105 HydrophobicContact CE2-CD2 3.94Å; F30-L105 HydrophobicContact CE2-CG 4.16Å; F30-L105 HydrophobicContact CG-CB 4.28Å; F30-L105 HydrophobicContact CZ-CB 4.27Å; F30-L105 HydrophobicContact CZ-CD1 3.88Å; F30-L105 HydrophobicContact CZ-CD2 4Å; F30-L105 HydrophobicContact CZ-CG 4.28Å; F30-V106 HydrophobicContact CB-CG2 3.82Å; F30-E121 HydrophobicContact CZ-CG 4.2Å; F30-L124 HydrophobicContact CD1-CD2 4.42Å; F30-L124 HydrophobicContact CE1-CD2 4.31Å
31A90.6Very high85.9Confident25 Ų2557.2 Ų57.221%0.20731%0.308CS..Hα-helixtrans-60-42.9175.600000111.4I27 D28 R34 N35 L49I27-A31 WeakPolarHBondContact O-CB 3.45Å; I27-A31 PolarHBondContact O-N 3.39Å; D28-A31 PolarHBondContact O-N 3.28Å; A31-R34 PolarHBondContact O-N 2.87Å; A31-N35 WeakPolarHBondContact O-CB 3.15Å; A31-N35 VanDerWaalsContact O-CG 3.32Å; A31-N35 PolarHBondContact O-N 2.89Å; A31-N35 PolarHBondContact O-ND2 2.72Å; A31-L49 HydrophobicContact CB-CD1 4.29Å
32Y90Very high84.3Confident175 Ų17558.1 Ų58.169%0.68631%0.314SS*.Hα-helixtrans-61.2-49.6175177.8-96.3000112.1D28 D29 F30 R34 N35 A36D28-Y32 WeakPolarHBondContact O-CB 3.09Å; D28-Y32 PolarHBondContact O-N 3.09Å; D29-Y32 PolarHBondContact O-N 3.48Å; F30-Y32 VanDerWaalsContact C-N 3.32Å; F30-Y32 PolarHBondContact O-N 3.04Å; Y32-R34 VanDerWaalsContact C-N 3.33Å; Y32-R34 PolarHBondContact O-N 2.91Å; Y32-N35 PolarHBondContact O-N 2.56Å; Y32-A36 WeakPolarHBondContact O-CB 3.35Å; Y32-A36 PolarHBondContact O-N 3.19Å
33I86.7Confident83Confident19 Ų1964.5 Ų64.510%0.09735%0.349CS..Hα-helixtrans-57.4-46177.7-76.6168.2000111.2D29 F30 A36 E37 V106 R108D29-I33 WeakPolarHBondContact O-CB 3.21Å; D29-I33 WeakPolarHBondContact O-CG1 3.47Å; D29-I33 PolarHBondContact O-N 2.87Å; F30-I33 PolarHBondContact O-N 3.12Å; I33-A36 PolarHBondContact O-N 3.49Å; I33-E37 WeakPolarHBondContact O-CG 3.22Å; I33-E37 PolarHBondContact O-N 3.05Å; I33-V106 HydrophobicContact CD1-CB 4.34Å; I33-V106 HydrophobicContact CD1-CG1 3.93Å; I33-V106 HydrophobicContact CD1-CG2 4.46Å; I33-R108 VanDerWaalsContact CG2-NH2 3.35Å
34R85.2Confident82.1Confident8 Ų866.7 Ų66.73%0.0336%0.363CS..Hα-helixtrans-63.5-42.7-179-175.1179.7133888.1112F30 A31 Y32 E37 F39 G41 D46F30-R34 VanDerWaalsContact O-CB 3.29Å; F30-R34 WeakPolarHBondContact O-CB 3.34Å; F30-R34 PolarHBondContact O-N 3.44Å; A31-R34 PolarHBondContact O-N 2.87Å; Y32-R34 VanDerWaalsContact C-N 3.33Å; Y32-R34 PolarHBondContact O-N 2.91Å; R34-E37 PolarHBondContact O-N 3.13Å; R34-F39 HydrophobicContact CG-CB 4.49Å; R34-F39 PolarHBondContact O-N 3.25Å; R34-G41 VanDerWaalsContact CZ-O 3.28Å; R34-G41 PolarHBondContact NH1-O 3.05Å; R34-G41 PolarHBondContact NH2-O 3.32Å; R34-D46 IonicContact CZ-OD1 3.28Å; R34-D46 VanDerWaalsContact CZ-OD1 3.28Å; R34-D46 IonicContact CZ-OD2 3.56Å; R34-D46 IonicContact NE-OD1 3.52Å; R34-D46 PolarHBondContact NE-OD1 2.97Å; R34-D46 IonicContact NE-OD2 3.59Å; R34-D46 IonicContact NH2-OD1 3.2Å; R34-D46 PolarHBondContact NH2-OD1 3.44Å; R34-D46 IonicContact NH2-OD2 2.68Å; R34-D46 PolarHBondContact NH2-OD2 3.29Å
35N85.4Confident81.5Confident109 Ų10966.5 Ų66.558%0.58336%0.362SS*.Hα-helixtrans-65-43.9175.3-75.8-26.9000112.2A31 Y32 E37 K38A31-N35 WeakPolarHBondContact O-CB 3.15Å; A31-N35 VanDerWaalsContact O-CG 3.32Å; A31-N35 PolarHBondContact O-N 2.89Å; A31-N35 PolarHBondContact O-ND2 2.72Å; Y32-N35 PolarHBondContact O-N 2.56Å; N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 3.09Å; N35-K38 PolarHBondContact O-N 2.96Å; N35-K38 VanDerWaalsContact O-N 3.13Å
36A83.2Confident81.1Confident65 Ų6565.9 Ų65.954%0.53736%0.359SS..Hα-helixtrans-62.5-35178.900000112.6Y32 I33 K38Y32-A36 WeakPolarHBondContact O-CB 3.35Å; Y32-A36 PolarHBondContact O-N 3.19Å; I33-A36 PolarHBondContact O-N 3.49Å; A36-K38 PolarHBondContact O-N 3Å
37E80.8Confident80.7Confident74 Ų7472.8 Ų72.835%0.34639%0.385SS..THydrogen-bonded Turntrans-78.80.2178.7-71172.5-177.900113.7I33 R34 N35 F39 R108 R117I33-E37 WeakPolarHBondContact O-CG 3.22Å; I33-E37 PolarHBondContact O-N 3.05Å; R34-E37 PolarHBondContact O-N 3.13Å; N35-E37 VanDerWaalsContact C-N 3.28Å; N35-E37 PolarHBondContact O-N 3.09Å; E37-F39 PolarHBondContact O-N 2.76Å; E37-F39 VanDerWaalsContact O-N 3.12Å; E37-R108 IonicContact OE1-CZ 3.63Å; E37-R108 VanDerWaalsContact OE1-CZ 3.27Å; E37-R108 IonicContact OE1-NE 2.67Å; E37-R108 PolarHBondContact OE1-NE 3.46Å; E37-R108 IonicContact OE1-NH2 2.9Å; E37-R108 PolarHBondContact OE1-NH2 3.17Å; E37-R117 IonicContact OE2-CZ 3.99Å; E37-R117 IonicContact OE2-NH1 2.68Å; E37-R117 PolarHBondContact OE2-NH1 2.84Å; E37-R117 IonicContact OE2-NH2 2.81Å; E37-R117 PolarHBondContact OE2-NH2 3.48Å
38K71.2Confident80.4Confident192 Ų19273 Ų7384%0.83539%0.386SS*.THydrogen-bonded Turntrans48.735.1-175.1-62.3-176178.9-179.90112.7N35 A36 S40N35-K38 PolarHBondContact O-N 2.96Å; N35-K38 VanDerWaalsContact O-N 3.13Å; A36-K38 PolarHBondContact O-N 3Å; K38-S40 PolarHBondContact O-N 2.74Å; K38-S40 VanDerWaalsContact O-N 3.15Å
39F66.4Low80.3Confident102 Ų10270 Ų7045%0.44737%0.37SS..  trans-74.8110.2-174.2-151.5-91.4000109.5R34 E37 G41R34-F39 HydrophobicContact CG-CB 4.49Å; R34-F39 PolarHBondContact O-N 3.25Å; E37-F39 PolarHBondContact O-N 2.76Å; E37-F39 VanDerWaalsContact O-N 3.12Å; F39-G41 PolarHBondContact O-N 2.82Å
40S57.7Low80.3Confident124 Ų12473.6 Ų73.687%0.86739%0.385SS*.  trans-77.228.8179.1700000113.5K38K38-S40 PolarHBondContact O-N 2.74Å; K38-S40 VanDerWaalsContact O-N 3.15Å
41G55.5Low80.4Confident18 Ų1876.8 Ų76.819%0.18640%0.4CS..  trans-74.4127.3-179.300000110.7R34 F39R34-G41 VanDerWaalsContact CZ-O 3.28Å; R34-G41 PolarHBondContact NH1-O 3.05Å; R34-G41 PolarHBondContact NH2-O 3.32Å; F39-G41 PolarHBondContact O-N 2.82Å
42S60.3Low80.7Confident75 Ų7575.6 Ų75.652%0.52439%0.39SS..  trans21.1111.9163.5-174.30000117.1C44 V45S42-C44 PolarHBondContact O-N 2.69Å; S42-C44 WeakPolarHBondContact OG-CB 3.37Å; S42-C44 PolarHBondContact OG-N 3.16Å; S42-V45 PolarHBondContact O-N 3.21Å
43D69.9Low81Confident134 Ų13470 Ų7072%0.71737%0.369SS*.Hα-helixtrans-49.4-16.6167.5-61.8-26.7000113.8R47D43-R47 PolarHBondContact O-N 3.12Å
44C76.7Confident81.4Confident45 Ų4572.6 Ų72.630%0.30438%0.383SS..Hα-helixtrans-61.7-44.2174.9-157.90000111.9S42 R47 S48S42-C44 PolarHBondContact O-N 2.69Å; S42-C44 WeakPolarHBondContact OG-CB 3.37Å; S42-C44 PolarHBondContact OG-N 3.16Å; C44-R47 WeakPolarHBondContact O-CB 3.18Å; C44-R47 PolarHBondContact O-N 2.84Å; C44-S48 PolarHBondContact O-N 3.33Å; C44-S48 PolarHBondContact O-OG 3.37Å
45V85Confident82Confident11 Ų1172.4 Ų72.47%0.06738%0.383CS..Hα-helixtrans-67.5-44.7-173.4178.80000111.4F30 S42 R47 S48 L49 E121F30-V45 HydrophobicContact CE1-CG1 4.15Å; S42-V45 PolarHBondContact O-N 3.21Å; V45-R47 VanDerWaalsContact C-N 3.27Å; V45-R47 PolarHBondContact O-N 2.88Å; V45-S48 PolarHBondContact O-N 3.32Å; V45-S48 VanDerWaalsContact O-N 3.17Å; V45-L49 HydrophobicContact CG1-CD1 4.33Å; V45-L49 HydrophobicContact CG1-CG 4.37Å; V45-L49 WeakPolarHBondContact O-CG 3.33Å; V45-L49 PolarHBondContact O-N 3.36Å; V45-E121 HydrophobicContact CG2-CB 4.12Å; V45-E121 HydrophobicContact CG2-CG 4.46Å
46D86.2Confident82.5Confident61 Ų6167.2 Ų67.233%0.32636%0.355SS..Hα-helixtrans-62.2-38.3178.4-71.4-27000111.7R34 L49 H50R34-D46 IonicContact CZ-OD1 3.28Å; R34-D46 VanDerWaalsContact CZ-OD1 3.28Å; R34-D46 IonicContact CZ-OD2 3.56Å; R34-D46 IonicContact NE-OD1 3.52Å; R34-D46 PolarHBondContact NE-OD1 2.97Å; R34-D46 IonicContact NE-OD2 3.59Å; R34-D46 IonicContact NH2-OD1 3.2Å; R34-D46 PolarHBondContact NH2-OD1 3.44Å; R34-D46 IonicContact NH2-OD2 2.68Å; R34-D46 PolarHBondContact NH2-OD2 3.29Å; D46-L49 PolarHBondContact O-N 2.8Å; D46-H50 PolarHBondContact O-N 3.06Å
47R87.6Confident83.1Confident151 Ų15169.1 Ų69.157%0.5735%0.353SS*.Hα-helixtrans-61.7-48.3173.5-170.1-171.5-49.8170.66111.1D43 C44 V45 L49 H50 E51D43-R47 PolarHBondContact O-N 3.12Å; C44-R47 WeakPolarHBondContact O-CB 3.18Å; C44-R47 PolarHBondContact O-N 2.84Å; V45-R47 VanDerWaalsContact C-N 3.27Å; V45-R47 PolarHBondContact O-N 2.88Å; R47-L49 VanDerWaalsContact C-N 3.31Å; R47-L49 PolarHBondContact O-N 3.24Å; R47-H50 PolarHBondContact O-N 3.28Å; R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 WeakPolarHBondContact CG-OE1 3.31Å; R47-E51 WeakPolarHBondContact O-CB 3.39Å; R47-E51 WeakPolarHBondContact O-CG 3.44Å; R47-E51 PolarHBondContact O-N 3.36Å
48S89.6Confident83.8Confident8 Ų870.5 Ų70.56%0.05636%0.355CS..Hα-helixtrans-63.4-36.8179.6-49.80000111.9C44 V45 L52 D125 S128C44-S48 PolarHBondContact O-N 3.33Å; C44-S48 PolarHBondContact O-OG 3.37Å; V45-S48 PolarHBondContact O-N 3.32Å; V45-S48 VanDerWaalsContact O-N 3.17Å; S48-L52 WeakPolarHBondContact O-CB 3.39Å; S48-L52 PolarHBondContact O-N 3.18Å; S48-D125 PolarHBondContact OG-OD1 3.3Å; S48-S128 PolarHBondContact O-OG 3.19Å; S48-S128 VanDerWaalsContact O-OG 3.05Å
49L93.8Very high85Confident7 Ų761.3 Ų61.34%0.03732%0.315CS..Hα-helixtrans-63.7-44.8173.8-68.1177.5000112.2I27 F30 A31 V45 D46 R47 K53 L102 L124I27-L49 HydrophobicContact CG2-CB 4.1Å; I27-L49 HydrophobicContact CG2-CD2 4.2Å; F30-L49 HydrophobicContact CD1-CD1 3.72Å; F30-L49 HydrophobicContact CD1-CD2 3.88Å; F30-L49 HydrophobicContact CD1-CG 4.41Å; F30-L49 HydrophobicContact CE1-CD1 4.02Å; F30-L49 HydrophobicContact CE1-CD2 4.35Å; A31-L49 HydrophobicContact CB-CD1 4.29Å; V45-L49 HydrophobicContact CG1-CD1 4.33Å; V45-L49 HydrophobicContact CG1-CG 4.37Å; V45-L49 WeakPolarHBondContact O-CG 3.33Å; V45-L49 PolarHBondContact O-N 3.36Å; D46-L49 PolarHBondContact O-N 2.8Å; R47-L49 VanDerWaalsContact C-N 3.31Å; R47-L49 PolarHBondContact O-N 3.24Å; L49-K53 WeakPolarHBondContact O-CB 3.34Å; L49-K53 PolarHBondContact O-N 3.46Å; L49-L102 HydrophobicContact CD2-CD2 4.31Å; L49-L124 HydrophobicContact CD2-CD2 3.61Å
50H92.5Very high86.2Confident143 Ų14358.1 Ų58.166%0.66230%0.304SS*.Hα-helixtrans-65.1-47.1178.9-170.371.2000111.8D46 R47 K53 D54D46-H50 PolarHBondContact O-N 3.06Å; R47-H50 PolarHBondContact O-N 3.28Å; H50-K53 PolarHBondContact O-N 2.82Å; H50-D54 PolarHBondContact O-N 3.38Å; H50-D54 VanDerWaalsContact O-N 3.14Å
51E93.9Very high87.9Confident67 Ų6758.2 Ų58.231%0.31329%0.29SS..Hα-helixtrans-62.1-44.4176.4-72.9-178.4-165.200111.7R47 K53 D54 V55R47-E51 HydrophobicContact CG-CG 4.46Å; R47-E51 WeakPolarHBondContact CG-OE1 3.31Å; R47-E51 WeakPolarHBondContact O-CB 3.39Å; R47-E51 WeakPolarHBondContact O-CG 3.44Å; R47-E51 PolarHBondContact O-N 3.36Å; E51-K53 PolarHBondContact O-N 3.37Å; E51-D54 PolarHBondContact O-N 3.01Å; E51-V55 WeakPolarHBondContact O-CB 3.33Å; E51-V55 VanDerWaalsContact O-CG2 3.29Å; E51-V55 WeakPolarHBondContact O-CG2 3.41Å; E51-V55 PolarHBondContact O-N 3.13Å
52L96.5Very high89.8Confident0 Ų057.4 Ų57.40%028%0.282CS..Hα-helixtrans-61.7-43.3178.8-178.954.5000111.8I27 S48 V55 L56 I98 L124 M131I27-L52 HydrophobicContact CD1-CB 4.31Å; I27-L52 HydrophobicContact CD1-CD2 3.97Å; I27-L52 HydrophobicContact CD1-CG 3.82Å; S48-L52 WeakPolarHBondContact O-CB 3.39Å; S48-L52 PolarHBondContact O-N 3.18Å; L52-V55 PolarHBondContact O-N 3.44Å; L52-L56 HydrophobicContact CD1-CD1 4.05Å; L52-L56 HydrophobicContact CD1-CG 3.98Å; L52-L56 HydrophobicContact CG-CD1 3.99Å; L52-L56 HydrophobicContact CG-CG 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.13Å; L52-L56 VanDerWaalsContact O-CG 3.24Å; L52-L56 WeakPolarHBondContact O-CG 3.36Å; L52-L56 PolarHBondContact O-N 2.9Å; L52-I98 HydrophobicContact CD1-CD1 4.03Å; L52-I98 HydrophobicContact CD2-CG2 3.87Å; L52-L124 HydrophobicContact CD2-CD1 3.96Å; L52-M131 HydrophobicContact CD1-CB 4.07Å; L52-M131 HydrophobicContact CD1-CG 4.01Å
53K96.5Very high91.4Very high56 Ų5654 Ų5424%0.24326%0.258CS..Hα-helixtrans-60.6-46.9177.3-177171.1-179.4167.80111.5V24 I27 D28 L49 H50 E51 L56 H57V24-K53 HydrophobicContact CG1-CD 4.26Å; V24-K53 HydrophobicContact CG1-CG 4.16Å; I27-K53 HydrophobicContact CD1-CB 4.28Å; I27-K53 HydrophobicContact CG2-CB 4.34Å; D28-K53 IonicContact OD1-NZ 3.6Å; D28-K53 PolarHBondContact OD1-NZ 3.17Å; D28-K53 IonicContact OD2-NZ 2.9Å; D28-K53 PolarHBondContact OD2-NZ 3.37Å; L49-K53 WeakPolarHBondContact O-CB 3.34Å; L49-K53 PolarHBondContact O-N 3.46Å; H50-K53 PolarHBondContact O-N 2.82Å; E51-K53 PolarHBondContact O-N 3.37Å; K53-L56 PolarHBondContact O-N 2.87Å; K53-H57 PolarHBondContact O-CD2 3.4Å; K53-H57 PolarHBondContact O-N 3.14Å; K53-H57 VanDerWaalsContact O-N 3.14Å
54D95.7Very high92.5Very high75 Ų7550.3 Ų50.340%0.40124%0.238SC..Hα-helixtrans-61.7-46.9177.2174.962.6000112.1H50 E51 L56 H57 R58H50-D54 PolarHBondContact O-N 3.38Å; H50-D54 VanDerWaalsContact O-N 3.14Å; E51-D54 PolarHBondContact O-N 3.01Å; D54-L56 PolarHBondContact O-N 2.81Å; D54-H57 PolarHBondContact O-N 2.88Å; D54-R58 WeakPolarHBondContact O-CG 3.28Å; D54-R58 PolarHBondContact O-N 2.93Å; D54-R58 VanDerWaalsContact O-N 3.1Å; D54-R58 IonicContact OD1-NE 2.76Å; D54-R58 IonicContact OD2-CZ 3.16Å; D54-R58 IonicContact OD2-NE 3.95Å; D54-R58 PolarHBondContact OD2-NE 2.88Å; D54-R58 IonicContact OD2-NH2 3.64Å; D54-R58 PolarHBondContact OD2-NH2 2.77Å
55V97.4Very high93.2Very high4 Ų452 Ų522%0.02424%0.237CC..Hα-helixtrans-62.1-43.3178.4172.90000111.3E51 L52 H57 R58 M59 M131 K132 Y135E51-V55 WeakPolarHBondContact O-CB 3.33Å; E51-V55 VanDerWaalsContact O-CG2 3.29Å; E51-V55 WeakPolarHBondContact O-CG2 3.41Å; E51-V55 PolarHBondContact O-N 3.13Å; L52-V55 PolarHBondContact O-N 3.44Å; V55-H57 VanDerWaalsContact C-N 3.33Å; V55-H57 PolarHBondContact O-N 2.89Å; V55-R58 PolarHBondContact O-N 3.33Å; V55-M59 VanDerWaalsContact O-CB 3.24Å; V55-M59 WeakPolarHBondContact O-CB 3.21Å; V55-M59 PolarHBondContact O-N 2.85Å; V55-M131 HydrophobicContact CG1-CG 3.73Å; V55-K132 HydrophobicContact CG2-CB 4.2Å; V55-K132 HydrophobicContact CG2-CG 4.35Å; V55-Y135 HydrophobicContact CG1-CG 4.16Å
56L97Very high93.6Very high0 Ų051.4 Ų51.40%023%0.234CC..Hα-helixtrans-61-40.2177.9-77173.6000112.4I20 A23 V24 I27 L52 K53 D54 M59 L95 M131I20-L56 HydrophobicContact CG2-CB 4.23Å; A23-L56 HydrophobicContact CB-CD1 3.81Å; V24-L56 HydrophobicContact CG2-CB 4.2Å; V24-L56 HydrophobicContact CG2-CD1 4.33Å; I27-L56 HydrophobicContact CD1-CD1 3.79Å; L52-L56 HydrophobicContact CD1-CD1 4.05Å; L52-L56 HydrophobicContact CD1-CG 3.98Å; L52-L56 HydrophobicContact CG-CD1 3.99Å; L52-L56 HydrophobicContact CG-CG 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.13Å; L52-L56 VanDerWaalsContact O-CG 3.24Å; L52-L56 WeakPolarHBondContact O-CG 3.36Å; L52-L56 PolarHBondContact O-N 2.9Å; K53-L56 PolarHBondContact O-N 2.87Å; D54-L56 PolarHBondContact O-N 2.81Å; L56-M59 PolarHBondContact O-N 2.83Å; L56-L95 HydrophobicContact CD2-CD1 3.81Å; L56-M131 HydrophobicContact CD2-CE 4.21Å
57H94.5Very high93.9Very high104 Ų10448.6 Ų48.648%0.48122%0.219SC..Hα-helixtrans-61.5-48.3174.1-76.5-54.1000111.6K53 D54 V55 M59 T60K53-H57 PolarHBondContact O-CD2 3.4Å; K53-H57 PolarHBondContact O-N 3.14Å; K53-H57 VanDerWaalsContact O-N 3.14Å; D54-H57 PolarHBondContact O-N 2.88Å; V55-H57 VanDerWaalsContact C-N 3.33Å; V55-H57 PolarHBondContact O-N 2.89Å; H57-M59 VanDerWaalsContact C-N 3.32Å; H57-M59 PolarHBondContact O-N 2.77Å; H57-T60 PolarHBondContact O-N 2.82Å; H57-T60 PolarHBondContact O-OG1 2.85Å
58R95.9Very high94Very high103 Ų10345.3 Ų45.339%0.38921%0.21SC..Hα-helixtrans-68-30.3-179.8-66-170.6-76.5140.2-4.1113.2D54 V55 T60 P62 Y135D54-R58 WeakPolarHBondContact O-CG 3.28Å; D54-R58 PolarHBondContact O-N 2.93Å; D54-R58 VanDerWaalsContact O-N 3.1Å; D54-R58 IonicContact OD1-NE 2.76Å; D54-R58 IonicContact OD2-CZ 3.16Å; D54-R58 IonicContact OD2-NE 3.95Å; D54-R58 PolarHBondContact OD2-NE 2.88Å; D54-R58 IonicContact OD2-NH2 3.64Å; D54-R58 PolarHBondContact OD2-NH2 2.77Å; V55-R58 PolarHBondContact O-N 3.33Å; R58-T60 VanDerWaalsContact C-N 3.25Å; R58-T60 PolarHBondContact O-N 2.97Å; R58-P62 WeakPolarHBondContact O-CD 3.45Å; R58-Y135 HydrophobicContact CB-CD2 4.22Å; R58-Y135 HydrophobicContact CB-CE2 3.49Å; R58-Y135 VanDerWaalsContact CB-CE2 3.49Å
59M95.6Very high94Very high0 Ų045.6 Ų45.60%021%0.211CC..Hα-helixtrans-64.4-25.8-179.1-17363.483.800114V55 L56 H57 H61 P62 I63 F91 M131 F134 Y135V55-M59 VanDerWaalsContact O-CB 3.24Å; V55-M59 WeakPolarHBondContact O-CB 3.21Å; V55-M59 PolarHBondContact O-N 2.85Å; L56-M59 PolarHBondContact O-N 2.83Å; H57-M59 VanDerWaalsContact C-N 3.32Å; H57-M59 PolarHBondContact O-N 2.77Å; M59-H61 VanDerWaalsContact C-N 3.25Å; M59-H61 PolarHBondContact O-N 3.32Å; M59-P62 VanDerWaalsContact O-CD 3.3Å; M59-P62 WeakPolarHBondContact O-CD 3.34Å; M59-I63 HydrophobicContact CG-CD1 4.42Å; M59-I63 HydrophobicContact CG-CG1 3.6Å; M59-I63 WeakPolarHBondContact O-CG1 3.3Å; M59-I63 PolarHBondContact O-N 2.88Å; M59-I63 VanDerWaalsContact O-N 3.16Å; M59-I63 HydrophobicContact SD-CD1 4.1Å; M59-I63 HydrophobicContact SD-CG1 3.79Å; M59-F91 HydrophobicContact CE-CD2 4.32Å; M59-F91 HydrophobicContact CE-CE2 4.28Å; M59-F91 HydrophobicContact CG-CD2 4.07Å; M59-F91 HydrophobicContact CG-CE2 3.44Å; M59-F91 VanDerWaalsContact CG-CE2 3.44Å; M59-F91 HydrophobicContact CG-CZ 3.91Å; M59-F91 HydrophobicContact SD-CD2 4.38Å; M59-F91 HydrophobicContact SD-CE2 4.31Å; M59-M131 HydrophobicContact CE-CG 4.4Å; M59-M131 HydrophobicContact CE-SD 3.46Å; M59-M131 WeakPolarHBondContact CE-SD 3.38Å; M59-F134 HydrophobicContact CE-CD1 3.56Å; M59-F134 HydrophobicContact CE-CE1 4.23Å; M59-F134 HydrophobicContact SD-CD1 4.2Å; M59-F134 HydrophobicContact SD-CE1 4.35Å; M59-Y135 HydrophobicContact CB-CD2 4.47Å; M59-Y135 HydrophobicContact CE-CD2 4.33Å; M59-Y135 HydrophobicContact CE-CG 4.44Å; M59-Y135 HydrophobicContact SD-CD2 4.23Å
60T92.9Very high93.9Very high35 Ų3545.3 Ų45.322%0.21521%0.209CC..Hα-helixtrans-53.7-43.9-178.1-54.80000111.7V17 H57 R58 L64V17-T60 HydrophobicContact CG1-CG2 4.43Å; V17-T60 HydrophobicContact CG2-CG2 4.21Å; H57-T60 PolarHBondContact O-N 2.82Å; H57-T60 PolarHBondContact O-OG1 2.85Å; R58-T60 VanDerWaalsContact C-N 3.25Å; R58-T60 PolarHBondContact O-N 2.97Å; T60-L64 HydrophobicContact CG2-CD1 3.87Å; T60-L64 HydrophobicContact CG2-CG 4.42Å; T60-L64 WeakPolarHBondContact O-CB 3.38Å; T60-L64 VanDerWaalsContact O-CG 3.26Å; T60-L64 WeakPolarHBondContact O-CG 3.44Å; T60-L64 PolarHBondContact O-N 3.44Å; T60-L64 VanDerWaalsContact O-N 3.1Å
61H93.4Very high93.8Very high125 Ų12538.7 Ų38.758%0.57918%0.18SC*.Hα-helixtrans-66.9-53.7-177.9173.3-88.1000112.8M59 I63 L64 R65M59-H61 VanDerWaalsContact C-N 3.25Å; M59-H61 PolarHBondContact O-N 3.32Å; H61-I63 VanDerWaalsContact C-N 3.32Å; H61-I63 PolarHBondContact O-N 3.33Å; H61-L64 PolarHBondContact O-N 2.82Å; H61-R65 WeakPolarHBondContact O-CB 3.49Å; H61-R65 PolarHBondContact O-N 3.33Å
62P94.8Very high93.7Very high2 Ų239.9 Ų39.91%0.01318%0.184CC..Hα-helixtrans-55.7-42.5176.3-29.134.6000114.8R58 M59 R65 F66 Y135 A138 V142R58-P62 WeakPolarHBondContact O-CD 3.45Å; M59-P62 VanDerWaalsContact O-CD 3.3Å; M59-P62 WeakPolarHBondContact O-CD 3.34Å; P62-R65 WeakPolarHBondContact O-CB 3.37Å; P62-R65 PolarHBondContact O-N 3.28Å; P62-F66 HydrophobicContact CB-CE2 4.36Å; P62-F66 VanDerWaalsContact O-CD2 3.24Å; P62-F66 WeakPolarHBondContact O-CD2 3.45Å; P62-F66 VanDerWaalsContact O-CG 3.29Å; P62-F66 WeakPolarHBondContact O-CG 3.43Å; P62-F66 PolarHBondContact O-N 3.08Å; P62-Y135 HydrophobicContact CG-CE2 4.26Å; P62-A138 HydrophobicContact CB-CB 4.13Å; P62-V142 HydrophobicContact CB-CG2 3.93Å
63I94.1Very high93.5Very high3 Ų340.1 Ų40.12%0.01519%0.185CC..Hα-helixtrans-67.6-43.1-177.7-66.9-59.4000112R16 M59 H61 R65 F66 A67 L88 F91 F134R16-I63 HydrophobicContact CB-CG2 4.45Å; R16-I63 VanDerWaalsContact CD-CG2 3.44Å; M59-I63 HydrophobicContact CG-CD1 4.42Å; M59-I63 HydrophobicContact CG-CG1 3.6Å; M59-I63 WeakPolarHBondContact O-CG1 3.3Å; M59-I63 PolarHBondContact O-N 2.88Å; M59-I63 VanDerWaalsContact O-N 3.16Å; M59-I63 HydrophobicContact SD-CD1 4.1Å; M59-I63 HydrophobicContact SD-CG1 3.79Å; H61-I63 VanDerWaalsContact C-N 3.32Å; H61-I63 PolarHBondContact O-N 3.33Å; I63-R65 VanDerWaalsContact C-N 3.29Å; I63-R65 PolarHBondContact O-N 3.27Å; I63-F66 HydrophobicContact CD1-CD2 4.25Å; I63-F66 PolarHBondContact O-N 3.27Å; I63-A67 PolarHBondContact O-N 2.7Å; I63-L88 HydrophobicContact CD1-CD2 4.39Å; I63-L88 HydrophobicContact CG2-CD2 3.86Å; I63-F91 HydrophobicContact CB-CE1 4.49Å; I63-F91 HydrophobicContact CD1-CB 3.74Å; I63-F91 HydrophobicContact CD1-CD1 3.66Å; I63-F91 HydrophobicContact CD1-CD2 3.86Å; I63-F91 HydrophobicContact CD1-CE1 4.22Å; I63-F91 HydrophobicContact CD1-CE2 4.42Å; I63-F91 HydrophobicContact CD1-CG 3.44Å; I63-F91 VanDerWaalsContact CD1-CG 3.44Å; I63-F91 HydrophobicContact CG1-CD1 3.86Å; I63-F91 HydrophobicContact CG1-CD2 4.13Å; I63-F91 HydrophobicContact CG1-CE1 3.89Å; I63-F91 HydrophobicContact CG1-CE2 4.2Å; I63-F91 HydrophobicContact CG1-CG 3.97Å; I63-F91 HydrophobicContact CG1-CZ 4.05Å; I63-F91 HydrophobicContact CG2-CD1 4.03Å; I63-F91 HydrophobicContact CG2-CE1 3.98Å; I63-F134 HydrophobicContact CD1-CE1 4.21Å
64L92.3Very high93.4Very high56 Ų5638.1 Ų38.129%0.29318%0.177SC..Hα-helixtrans-62.6-40.6173.9-70.9176.7000111V17 T60 H61 F66 A67 E68 M548V17-L64 HydrophobicContact CG2-CD1 4.28Å; V17-L64 HydrophobicContact CG2-CD2 3.9Å; V17-L64 HydrophobicContact CG2-CG 4.34Å; T60-L64 HydrophobicContact CG2-CD1 3.87Å; T60-L64 HydrophobicContact CG2-CG 4.42Å; T60-L64 WeakPolarHBondContact O-CB 3.38Å; T60-L64 VanDerWaalsContact O-CG 3.26Å; T60-L64 WeakPolarHBondContact O-CG 3.44Å; T60-L64 PolarHBondContact O-N 3.44Å; T60-L64 VanDerWaalsContact O-N 3.1Å; H61-L64 PolarHBondContact O-N 2.82Å; L64-F66 VanDerWaalsContact C-N 3.35Å; L64-F66 PolarHBondContact O-N 3.13Å; L64-A67 WeakPolarHBondContact O-CB 3.33Å; L64-A67 PolarHBondContact O-N 3.24Å; L64-E68 WeakPolarHBondContact O-CG 3.26Å; L64-E68 PolarHBondContact O-N 3.27Å; L64-M548 HydrophobicContact CD2-SD 3.74Å
65R92.8Very high93.3Very high80 Ų8035.5 Ų35.530%0.30216%0.161SC..Hα-helixtrans-62.1-41.7177.3-17160.4178153.511.9112.3H61 P62 I63 E68 E69 V142H61-R65 WeakPolarHBondContact O-CB 3.49Å; H61-R65 PolarHBondContact O-N 3.33Å; P62-R65 WeakPolarHBondContact O-CB 3.37Å; P62-R65 PolarHBondContact O-N 3.28Å; I63-R65 VanDerWaalsContact C-N 3.29Å; I63-R65 PolarHBondContact O-N 3.27Å; R65-E68 IonicContact NH1-OE2 3.49Å; R65-E68 PolarHBondContact NH1-OE2 2.85Å; R65-E68 PolarHBondContact O-N 2.99Å; R65-E69 IonicContact CZ-OE1 2.7Å; R65-E69 IonicContact NE-OE1 2.78Å; R65-E69 IonicContact NH1-OE1 3.66Å; R65-E69 PolarHBondContact NH1-OE1 2.81Å; R65-E69 VanDerWaalsContact NH1-OE1 3.15Å; R65-E69 IonicContact NH2-OE1 2.66Å; R65-E69 PolarHBondContact NH2-OE1 3.01Å; R65-E69 WeakPolarHBondContact O-CB 3.45Å; R65-E69 VanDerWaalsContact O-CG 3.25Å; R65-E69 WeakPolarHBondContact O-CG 3.3Å; R65-E69 PolarHBondContact O-N 3.4Å; R65-V142 HydrophobicContact CB-CG1 4.47Å; R65-V142 HydrophobicContact CB-CG2 4.31Å; R65-V142 HydrophobicContact CG-CG1 4.06Å; R65-V142 HydrophobicContact CG-CG2 4.33Å
66F93.5Very high93.1Very high0 Ų037.8 Ų37.80%017%0.173CC..Hα-helixtrans-64.9-40.7173.7-63.5-36.3000112.5P62 I63 L64 E68 E69 A70 F84 I87 L88 A138 V141 V142P62-F66 HydrophobicContact CB-CE2 4.36Å; P62-F66 VanDerWaalsContact O-CD2 3.24Å; P62-F66 WeakPolarHBondContact O-CD2 3.45Å; P62-F66 VanDerWaalsContact O-CG 3.29Å; P62-F66 WeakPolarHBondContact O-CG 3.43Å; P62-F66 PolarHBondContact O-N 3.08Å; I63-F66 HydrophobicContact CD1-CD2 4.25Å; I63-F66 PolarHBondContact O-N 3.27Å; L64-F66 VanDerWaalsContact C-N 3.35Å; L64-F66 PolarHBondContact O-N 3.13Å; F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 PolarHBondContact O-N 3.21Å; F66-E69 PolarHBondContact O-N 2.77Å; F66-A70 WeakPolarHBondContact O-CB 3.15Å; F66-A70 PolarHBondContact O-N 2.83Å; F66-F84 AromaticContact CD1-CD1 3.58Å; F66-F84 HydrophobicContact CD1-CD1 3.58Å; F66-F84 HydrophobicContact CD1-CE1 4.05Å; F66-F84 HydrophobicContact CE1-CD1 4.1Å; F66-F84 HydrophobicContact CE1-CE1 4.26Å; F66-F84 HydrophobicContact CG-CD1 4.36Å; F66-I87 HydrophobicContact CD2-CG2 3.7Å; F66-I87 HydrophobicContact CE2-CD1 4.5Å; F66-I87 HydrophobicContact CE2-CG2 3.55Å; F66-I87 HydrophobicContact CZ-CD1 4.32Å; F66-I87 HydrophobicContact CZ-CG2 4.35Å; F66-L88 HydrophobicContact CB-CD1 4.41Å; F66-L88 HydrophobicContact CB-CD2 3.95Å; F66-L88 HydrophobicContact CB-CG 4.09Å; F66-A138 HydrophobicContact CE2-CB 3.67Å; F66-A138 HydrophobicContact CZ-CB 3.99Å; F66-A138 WeakPolarHBondContact CZ-O 3.47Å; F66-V141 HydrophobicContact CE1-CB 4.01Å; F66-V141 HydrophobicContact CE1-CG1 3.68Å; F66-V141 HydrophobicContact CZ-CB 3.97Å; F66-V141 HydrophobicContact CZ-CG1 4.12Å; F66-V142 HydrophobicContact CD1-CG2 4.05Å; F66-V142 HydrophobicContact CE1-CG2 3.41Å; F66-V142 VanDerWaalsContact CE1-CG2 3.41Å; F66-V142 HydrophobicContact CE2-CG2 4.37Å; F66-V142 HydrophobicContact CZ-CG2 3.61Å
67A91.8Very high92.6Very high1 Ų140.8 Ų40.81%0.00819%0.189CC..Hα-helixtrans-61.9-38.717700000112.5I63 L64 L88 A547 M548I63-A67 PolarHBondContact O-N 2.7Å; L64-A67 WeakPolarHBondContact O-CB 3.33Å; L64-A67 PolarHBondContact O-N 3.24Å; A67-L88 HydrophobicContact CB-CD1 4.32Å; A67-A547 HydrophobicContact CB-CB 4.47Å; A67-A547 WeakPolarHBondContact CB-O 3.37Å; A67-A547 WeakPolarHBondContact O-CB 3.27Å; A67-M548 HydrophobicContact CB-CE 4.1Å; A67-M548 HydrophobicContact CB-CG 4.33Å; A67-M548 HydrophobicContact CB-SD 3.57Å; A67-M548 VanDerWaalsContact CB-SD 3.57Å
68E90.3Very high92.3Very high83 Ų8345 Ų4539%0.38821%0.206SC..Hα-helixtrans-65.3-38.1175.5-71.9172.5-179.500113.1L64 R65 F66 M548L64-E68 WeakPolarHBondContact O-CG 3.26Å; L64-E68 PolarHBondContact O-N 3.27Å; R65-E68 IonicContact NH1-OE2 3.49Å; R65-E68 PolarHBondContact NH1-OE2 2.85Å; R65-E68 PolarHBondContact O-N 2.99Å; F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 PolarHBondContact O-N 3.21Å; E68-M548 HydrophobicContact CG-CE 3.59Å
69E89Confident92Very high14 Ų1442 Ų427%0.06520%0.2CC..Hα-helixtrans-91-30.1-171.6-65.8-68.6154.400112.3R65 F66 A71 K72 F73 I145R65-E69 IonicContact CZ-OE1 2.7Å; R65-E69 IonicContact NE-OE1 2.78Å; R65-E69 IonicContact NH1-OE1 3.66Å; R65-E69 PolarHBondContact NH1-OE1 2.81Å; R65-E69 VanDerWaalsContact NH1-OE1 3.15Å; R65-E69 IonicContact NH2-OE1 2.66Å; R65-E69 PolarHBondContact NH2-OE1 3.01Å; R65-E69 WeakPolarHBondContact O-CB 3.45Å; R65-E69 VanDerWaalsContact O-CG 3.25Å; R65-E69 WeakPolarHBondContact O-CG 3.3Å; R65-E69 PolarHBondContact O-N 3.4Å; F66-E69 PolarHBondContact O-N 2.77Å; E69-A71 VanDerWaalsContact C-N 3.26Å; E69-A71 PolarHBondContact O-N 2.95Å; E69-A71 VanDerWaalsContact O-N 3.08Å; E69-K72 WeakPolarHBondContact O-CB 3.45Å; E69-K72 PolarHBondContact O-N 3.07Å; E69-K72 IonicContact OE1-NZ 2.85Å; E69-K72 PolarHBondContact OE1-NZ 3.44Å; E69-K72 VanDerWaalsContact OE2-CD 3.3Å; E69-K72 WeakPolarHBondContact OE2-CD 3.46Å; E69-K72 VanDerWaalsContact OE2-CE 3.28Å; E69-K72 WeakPolarHBondContact OE2-CE 3.24Å; E69-K72 IonicContact OE2-NZ 3.24Å; E69-K72 PolarHBondContact OE2-NZ 2.82Å; E69-F73 HydrophobicContact CB-CE2 4.27Å; E69-F73 VanDerWaalsContact O-CD2 3.3Å; E69-F73 WeakPolarHBondContact O-CD2 3.2Å; E69-I145 HydrophobicContact CB-CD1 3.98Å; E69-I145 HydrophobicContact CG-CD1 3.67Å
70A92.3Very high91.8Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-52.5-38.8-17300000114F66 K72 F73 D74 N82 F84 R85 L88F66-A70 WeakPolarHBondContact O-CB 3.15Å; F66-A70 PolarHBondContact O-N 2.83Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 2.83Å; A70-F73 PolarHBondContact O-N 3.13Å; A70-D74 PolarHBondContact O-N 3.22Å; A70-N82 PolarHBondContact O-ND2 2.85Å; A70-F84 HydrophobicContact CB-CB 3.9Å; A70-R85 HydrophobicContact CB-CG 3.92Å; A70-L88 HydrophobicContact CB-CD1 4.3Å
71A90.7Very high91.8Very high5 Ų542.3 Ų42.34%0.04120%0.202CC..G310 helixtrans-65.5-27.4-179.700000113.3E69 F73 M540 K544E69-A71 VanDerWaalsContact C-N 3.26Å; E69-A71 PolarHBondContact O-N 2.95Å; E69-A71 VanDerWaalsContact O-N 3.08Å; A71-F73 VanDerWaalsContact C-N 3.31Å; A71-M540 HydrophobicContact CB-CE 4.16Å; A71-K544 HydrophobicContact CB-CG 4.29Å
72K90.4Very high91.9Very high92 Ų9236.4 Ų36.440%0.417%0.174SC..G310 helixtrans-70-32.1179.1-56.9-177.3-168166.80111.9E69 A70 S151E69-K72 WeakPolarHBondContact O-CB 3.45Å; E69-K72 PolarHBondContact O-N 3.07Å; E69-K72 IonicContact OE1-NZ 2.85Å; E69-K72 PolarHBondContact OE1-NZ 3.44Å; E69-K72 VanDerWaalsContact OE2-CD 3.3Å; E69-K72 WeakPolarHBondContact OE2-CD 3.46Å; E69-K72 VanDerWaalsContact OE2-CE 3.28Å; E69-K72 WeakPolarHBondContact OE2-CE 3.24Å; E69-K72 IonicContact OE2-NZ 3.24Å; E69-K72 PolarHBondContact OE2-NZ 2.82Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 2.83Å; K72-S151 WeakPolarHBondContact O-CB 2.86Å
73F92.6Very high91.8Very high5 Ų536.3 Ų36.32%0.02217%0.174CC..G310 helixtrans-95.70.2-174.4-62.9-82.2000113.6E69 A70 A71 N82 F84 S151 E152 L153 K719E69-F73 HydrophobicContact CB-CE2 4.27Å; E69-F73 VanDerWaalsContact O-CD2 3.3Å; E69-F73 WeakPolarHBondContact O-CD2 3.2Å; A70-F73 PolarHBondContact O-N 3.13Å; A71-F73 VanDerWaalsContact C-N 3.31Å; F73-N82 HydrophobicContact CB-CB 4.15Å; F73-N82 PolarHBondContact O-ND2 2.98Å; F73-F84 HydrophobicContact CB-CD2 4.07Å; F73-F84 HydrophobicContact CB-CE2 4.2Å; F73-F84 HydrophobicContact CD1-CE2 4.1Å; F73-F84 AromaticContact CD2-CD2 3.6Å; F73-F84 HydrophobicContact CD2-CD2 3.6Å; F73-F84 AromaticContact CD2-CE2 3.28Å; F73-F84 HydrophobicContact CD2-CE2 3.28Å; F73-F84 HydrophobicContact CD2-CZ 4.14Å; F73-F84 HydrophobicContact CE1-CE2 4.31Å; F73-F84 HydrophobicContact CE2-CD2 4.26Å; F73-F84 AromaticContact CE2-CE2 3.55Å; F73-F84 HydrophobicContact CE2-CE2 3.55Å; F73-F84 AromaticContact CE2-CZ 3.97Å; F73-F84 HydrophobicContact CE2-CZ 3.97Å; F73-F84 AromaticContact CG-CD2 3.92Å; F73-F84 HydrophobicContact CG-CD2 3.92Å; F73-F84 AromaticContact CG-CE2 3.59Å; F73-F84 HydrophobicContact CG-CE2 3.59Å; F73-F84 HydrophobicContact CZ-CE2 4.06Å; F73-F84 HydrophobicContact CZ-CZ 4.36Å; F73-S151 VanDerWaalsContact CD1-O 3.24Å; F73-S151 WeakPolarHBondContact CD1-O 3.23Å; F73-S151 VanDerWaalsContact CE1-C 3.46Å; F73-E152 VanDerWaalsContact CE1-O 3.31Å; F73-E152 WeakPolarHBondContact CE1-O 3.38Å; F73-L153 HydrophobicContact CB-CD2 3.72Å; F73-L153 HydrophobicContact CB-CG 4.36Å; F73-L153 HydrophobicContact CD1-CD2 3.77Å; F73-L153 HydrophobicContact CD1-CG 4.11Å; F73-L153 HydrophobicContact CG-CD2 3.97Å; F73-K719 PolarHBondContact O-NZ 3.42Å; F73-K719 VanDerWaalsContact O-NZ 3.09Å
74D94.4Very high91.9Very high14 Ų1436.4 Ų36.48%0.07517%0.174CC..  trans-55.6146.1177.5-80.9-27.8000112.6A70 P80 G81 N82 R85 K719A70-D74 PolarHBondContact O-N 3.22Å; D74-P80 WeakPolarHBondContact OD1-CA 3.44Å; D74-G81 PolarHBondContact OD1-N 3.16Å; D74-N82 WeakPolarHBondContact CA-ND2 3.48Å; D74-N82 PolarHBondContact N-ND2 3.43Å; D74-N82 VanDerWaalsContact N-ND2 3.18Å; D74-N82 PolarHBondContact OD1-ND2 2.89Å; D74-R85 VanDerWaalsContact CG-NE 3.31Å; D74-R85 VanDerWaalsContact OD1-CD 3.31Å; D74-R85 WeakPolarHBondContact OD1-CD 3.48Å; D74-R85 IonicContact OD1-CZ 3.45Å; D74-R85 IonicContact OD1-NE 3.53Å; D74-R85 PolarHBondContact OD1-NE 2.82Å; D74-R85 IonicContact OD1-NH2 3.31Å; D74-R85 IonicContact OD2-CZ 2.73Å; D74-R85 VanDerWaalsContact OD2-CZ 3.32Å; D74-R85 IonicContact OD2-NE 3.8Å; D74-R85 PolarHBondContact OD2-NE 2.71Å; D74-R85 IonicContact OD2-NH2 2.65Å; D74-R85 PolarHBondContact OD2-NH2 2.87Å; D74-K719 WeakPolarHBondContact O-CE 3.38Å; D74-K719 PolarHBondContact O-NZ 2.87Å
75Y94.4Very high92Very high20 Ų2035.3 Ų35.38%0.07817%0.166CC..SBendtrans-56.3-55.7170.4170.9-105.5000110.9T79 G81 A718 K719 R722 H728 F730Y75-T79 HydrophobicContact CD1-CG2 4.48Å; Y75-G81 PolarHBondContact N-O 3.41Å; Y75-A718 HydrophobicContact CD2-CB 3.99Å; Y75-A718 HydrophobicContact CE2-CB 3.57Å; Y75-K719 HydrophobicContact CD2-CG 4.06Å; Y75-R722 PolarHBondContact O-NH1 2.8Å; Y75-H728 AromaticContact CZ-NE2 3.93Å; Y75-H728 PolarHBondContact OH-CD2 2.91Å; Y75-H728 PolarHBondContact OH-NE2 3.44Å; Y75-F730 HydrophobicContact CD1-CB 4.36Å; Y75-F730 AromaticContact CD1-CD1 3.57Å; Y75-F730 HydrophobicContact CD1-CD1 3.57Å; Y75-F730 HydrophobicContact CD1-CE1 4.24Å; Y75-F730 HydrophobicContact CD1-CG 4.23Å; Y75-F730 HydrophobicContact CD2-CD1 4.1Å; Y75-F730 HydrophobicContact CD2-CG 4.25Å; Y75-F730 HydrophobicContact CE1-CB 3.84Å; Y75-F730 AromaticContact CE1-CD1 3.94Å; Y75-F730 HydrophobicContact CE1-CD1 3.94Å; Y75-F730 HydrophobicContact CE1-CG 4.2Å; Y75-F730 HydrophobicContact CE2-CB 4.13Å; Y75-F730 HydrophobicContact CE2-CD1 4.45Å; Y75-F730 HydrophobicContact CE2-CG 4.25Å; Y75-F730 AromaticContact CG-CD1 3.64Å; Y75-F730 HydrophobicContact CG-CD1 3.64Å; Y75-F730 AromaticContact CG-CE1 3.98Å; Y75-F730 HydrophobicContact CG-CE1 3.98Å; Y75-F730 HydrophobicContact CG-CG 4.24Å
76D91.7Very high92.1Very high51 Ų5131.5 Ų31.527%0.27315%0.152SC..  trans-155.4178.3169.971.537.2000111.7K78 T79D76-K78 VanDerWaalsContact C-N 3.29Å; D76-K78 PolarHBondContact O-N 3Å; D76-K78 WeakPolarHBondContact OD1-CA 3.34Å; D76-K78 WeakPolarHBondContact OD1-CB 3.48Å; D76-K78 PolarHBondContact OD1-N 2.95Å; D76-T79 CarbonylContact O-C 3.6Å; D76-T79 PolarHBondContact OD1-N 3.04Å
77L87.1Confident92.1Very high64 Ų6431.5 Ų31.534%0.33515%0.152SC..SBendtrans-65.8-26.7-178.8-67175000114.3C539 M540 K543L77-C539 HydrophobicContact CD1-CB 4.39Å; L77-M540 HydrophobicContact CD2-CG 4.4Å; L77-M540 HydrophobicContact CD2-SD 3.77Å; L77-K543 VanDerWaalsContact O-CE 3.27Å; L77-K543 WeakPolarHBondContact O-CE 3.25Å
78K88.3Confident92.3Very high191 Ų19131.7 Ų31.783%0.8315%0.153SC*.SBendtrans-88.2-31.3-177.3-66.8179.7-179.4174.40111.9D76 P80D76-K78 VanDerWaalsContact C-N 3.29Å; D76-K78 PolarHBondContact O-N 3Å; D76-K78 WeakPolarHBondContact OD1-CA 3.34Å; D76-K78 WeakPolarHBondContact OD1-CB 3.48Å; D76-K78 PolarHBondContact OD1-N 2.95Å; K78-P80 VanDerWaalsContact O-CD 3.26Å; K78-P80 WeakPolarHBondContact O-CD 3.21Å
79T90.6Very high92.4Very high42 Ų4229.2 Ų29.226%0.25814%0.144SC..SBendtrans-122.568.9-176.9-47.10000108.6Y75 D76 G81 F730 L732Y75-T79 HydrophobicContact CD1-CG2 4.48Å; D76-T79 CarbonylContact O-C 3.6Å; D76-T79 PolarHBondContact OD1-N 3.04Å; T79-G81 PolarHBondContact O-N 3.4Å; T79-F730 HydrophobicContact CG2-CD1 4.06Å; T79-F730 HydrophobicContact CG2-CE1 4.26Å; T79-L732 HydrophobicContact CG2-CB 4.08Å
80P90.5Very high92.5Very high41 Ų4128.5 Ų28.527%0.26614%0.141SC..  trans-62.2123176.227-34.2000109.4D74 K78D74-P80 WeakPolarHBondContact OD1-CA 3.44Å; K78-P80 VanDerWaalsContact O-CD 3.26Å; K78-P80 WeakPolarHBondContact O-CD 3.21Å
81G92Very high92.7Very high0 Ų028.5 Ų28.50%014%0.141CC..  trans-174.3118.2-167.200000112.7D74 Y75 T79 L732D74-G81 PolarHBondContact OD1-N 3.16Å; Y75-G81 PolarHBondContact N-O 3.41Å; T79-G81 PolarHBondContact O-N 3.4Å; G81-L732 VanDerWaalsContact CA-CD2 3.5Å
82N95.4Very high92.8Very high0 Ų028.6 Ų28.60%014%0.141CC..SBendtrans-174.8170.7172.557.469.5000109.7A70 F73 D74 F84 R85 S86 L153A70-N82 PolarHBondContact O-ND2 2.85Å; F73-N82 HydrophobicContact CB-CB 4.15Å; F73-N82 PolarHBondContact O-ND2 2.98Å; D74-N82 WeakPolarHBondContact CA-ND2 3.48Å; D74-N82 PolarHBondContact N-ND2 3.43Å; D74-N82 VanDerWaalsContact N-ND2 3.18Å; D74-N82 PolarHBondContact OD1-ND2 2.89Å; N82-F84 VanDerWaalsContact C-N 3.28Å; N82-F84 PolarHBondContact O-N 3.38Å; N82-F84 WeakPolarHBondContact OD1-CA 3.29Å; N82-F84 VanDerWaalsContact OD1-CB 3.23Å; N82-F84 WeakPolarHBondContact OD1-CB 3.15Å; N82-F84 PolarHBondContact OD1-N 2.8Å; N82-R85 WeakPolarHBondContact O-CB 3.48Å; N82-R85 PolarHBondContact O-N 2.81Å; N82-R85 PolarHBondContact OD1-N 2.78Å; N82-R85 VanDerWaalsContact OD1-N 3.15Å; N82-S86 PolarHBondContact O-N 2.78Å; N82-S86 VanDerWaalsContact O-N 3.13Å; N82-S86 PolarHBondContact O-OG 2.77Å; N82-L153 HydrophobicContact CB-CD1 4.37Å; N82-L153 HydrophobicContact CB-CD2 4.1Å
83G94.8Very high92.9Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-57.2-32.1-179.900000115R85 S86 I87 A457 D712G83-R85 VanDerWaalsContact C-N 3.33Å; G83-R85 PolarHBondContact O-N 3.37Å; G83-S86 WeakPolarHBondContact O-CB 3.37Å; G83-S86 PolarHBondContact O-N 2.76Å; G83-I87 VanDerWaalsContact O-CG1 3.29Å; G83-I87 WeakPolarHBondContact O-CG1 3.4Å; G83-I87 PolarHBondContact O-N 3.47Å; G83-A457 VanDerWaalsContact C-CB 3.5Å; G83-D712 WeakPolarHBondContact CA-OD1 3.4Å; G83-D712 PolarHBondContact N-OD1 3Å
84F94.9Very high93Very high6 Ų625.9 Ų25.93%0.02613%0.129CC..Hα-helixtrans-64.9-39.9175.7-59.7-81.3000111.2F66 A70 F73 N82 S86 I87 L88 V141 I145 L153 A457F66-F84 AromaticContact CD1-CD1 3.58Å; F66-F84 HydrophobicContact CD1-CD1 3.58Å; F66-F84 HydrophobicContact CD1-CE1 4.05Å; F66-F84 HydrophobicContact CE1-CD1 4.1Å; F66-F84 HydrophobicContact CE1-CE1 4.26Å; F66-F84 HydrophobicContact CG-CD1 4.36Å; A70-F84 HydrophobicContact CB-CB 3.9Å; F73-F84 HydrophobicContact CB-CD2 4.07Å; F73-F84 HydrophobicContact CB-CE2 4.2Å; F73-F84 HydrophobicContact CD1-CE2 4.1Å; F73-F84 AromaticContact CD2-CD2 3.6Å; F73-F84 HydrophobicContact CD2-CD2 3.6Å; F73-F84 AromaticContact CD2-CE2 3.28Å; F73-F84 HydrophobicContact CD2-CE2 3.28Å; F73-F84 HydrophobicContact CD2-CZ 4.14Å; F73-F84 HydrophobicContact CE1-CE2 4.31Å; F73-F84 HydrophobicContact CE2-CD2 4.26Å; F73-F84 AromaticContact CE2-CE2 3.55Å; F73-F84 HydrophobicContact CE2-CE2 3.55Å; F73-F84 AromaticContact CE2-CZ 3.97Å; F73-F84 HydrophobicContact CE2-CZ 3.97Å; F73-F84 AromaticContact CG-CD2 3.92Å; F73-F84 HydrophobicContact CG-CD2 3.92Å; F73-F84 AromaticContact CG-CE2 3.59Å; F73-F84 HydrophobicContact CG-CE2 3.59Å; F73-F84 HydrophobicContact CZ-CE2 4.06Å; F73-F84 HydrophobicContact CZ-CZ 4.36Å; N82-F84 VanDerWaalsContact C-N 3.28Å; N82-F84 PolarHBondContact O-N 3.38Å; N82-F84 WeakPolarHBondContact OD1-CA 3.29Å; N82-F84 VanDerWaalsContact OD1-CB 3.23Å; N82-F84 WeakPolarHBondContact OD1-CB 3.15Å; N82-F84 PolarHBondContact OD1-N 2.8Å; F84-S86 VanDerWaalsContact C-N 3.32Å; F84-I87 PolarHBondContact O-N 2.9Å; F84-L88 WeakPolarHBondContact O-CG 3.41Å; F84-L88 PolarHBondContact O-N 2.88Å; F84-V141 HydrophobicContact CE1-CG1 4.08Å; F84-I145 HydrophobicContact CE1-CD1 3.89Å; F84-I145 HydrophobicContact CE1-CG1 4.35Å; F84-I145 HydrophobicContact CZ-CD1 4.08Å; F84-I145 HydrophobicContact CZ-CG1 4.21Å; F84-L153 HydrophobicContact CD2-CD2 4.43Å; F84-L153 HydrophobicContact CE2-CD2 4.15Å; F84-A457 HydrophobicContact CD1-CB 3.89Å; F84-A457 HydrophobicContact CD2-CB 4.01Å; F84-A457 HydrophobicContact CE1-CB 3.97Å; F84-A457 HydrophobicContact CE2-CB 4.06Å; F84-A457 HydrophobicContact CG-CB 3.93Å; F84-A457 HydrophobicContact CZ-CB 4.05Å
85R93.9Very high93Very high33 Ų3325.3 Ų25.313%0.12513%0.126CC..Hα-helixtrans-65.8-36.2173.6-64.1-169173.4-811.9112.1A70 D74 N82 G83 L88 S89A70-R85 HydrophobicContact CB-CG 3.92Å; D74-R85 VanDerWaalsContact CG-NE 3.31Å; D74-R85 VanDerWaalsContact OD1-CD 3.31Å; D74-R85 WeakPolarHBondContact OD1-CD 3.48Å; D74-R85 IonicContact OD1-CZ 3.45Å; D74-R85 IonicContact OD1-NE 3.53Å; D74-R85 PolarHBondContact OD1-NE 2.82Å; D74-R85 IonicContact OD1-NH2 3.31Å; D74-R85 IonicContact OD2-CZ 2.73Å; D74-R85 VanDerWaalsContact OD2-CZ 3.32Å; D74-R85 IonicContact OD2-NE 3.8Å; D74-R85 PolarHBondContact OD2-NE 2.71Å; D74-R85 IonicContact OD2-NH2 2.65Å; D74-R85 PolarHBondContact OD2-NH2 2.87Å; N82-R85 WeakPolarHBondContact O-CB 3.48Å; N82-R85 PolarHBondContact O-N 2.81Å; N82-R85 PolarHBondContact OD1-N 2.78Å; N82-R85 VanDerWaalsContact OD1-N 3.15Å; G83-R85 VanDerWaalsContact C-N 3.33Å; G83-R85 PolarHBondContact O-N 3.37Å; R85-L88 PolarHBondContact O-N 2.73Å; R85-S89 WeakPolarHBondContact O-CB 3.32Å; R85-S89 PolarHBondContact O-N 2.79Å; R85-S89 PolarHBondContact O-OG 3.07Å
86S94.7Very high92.9Very high0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-64.3-44.8175.2-47.70000111.6N82 G83 F84 S89 L90 H706 L711N82-S86 PolarHBondContact O-N 2.78Å; N82-S86 VanDerWaalsContact O-N 3.13Å; N82-S86 PolarHBondContact O-OG 2.77Å; G83-S86 WeakPolarHBondContact O-CB 3.37Å; G83-S86 PolarHBondContact O-N 2.76Å; F84-S86 VanDerWaalsContact C-N 3.32Å; S86-S89 PolarHBondContact O-N 2.76Å; S86-L90 WeakPolarHBondContact O-CB 3.26Å; S86-L90 PolarHBondContact O-N 3.03Å; S86-H706 VanDerWaalsContact CB-O 3.23Å; S86-H706 WeakPolarHBondContact CB-O 3.45Å; S86-H706 PolarHBondContact OG-O 3.37Å; S86-L711 WeakPolarHBondContact OG-CD2 3.34Å
87I94.8Very high93Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-58.4-49.7174.2-67.8171.1000110.1F66 G83 F84 S89 L90 F91 F134 A457 L460F66-I87 HydrophobicContact CD2-CG2 3.7Å; F66-I87 HydrophobicContact CE2-CD1 4.5Å; F66-I87 HydrophobicContact CE2-CG2 3.55Å; F66-I87 HydrophobicContact CZ-CD1 4.32Å; F66-I87 HydrophobicContact CZ-CG2 4.35Å; G83-I87 VanDerWaalsContact O-CG1 3.29Å; G83-I87 WeakPolarHBondContact O-CG1 3.4Å; G83-I87 PolarHBondContact O-N 3.47Å; F84-I87 PolarHBondContact O-N 2.9Å; I87-S89 VanDerWaalsContact C-N 3.3Å; I87-S89 PolarHBondContact O-N 2.74Å; I87-L90 PolarHBondContact O-N 2.65Å; I87-F91 WeakPolarHBondContact O-CB 3.34Å; I87-F91 PolarHBondContact O-N 3.45Å; I87-F134 HydrophobicContact CG2-CE1 4.12Å; I87-F134 HydrophobicContact CG2-CE2 4.46Å; I87-F134 HydrophobicContact CG2-CZ 3.56Å; I87-F134 WeakPolarHBondContact O-CZ 3.43Å; I87-A457 HydrophobicContact CD1-CB 3.92Å; I87-A457 WeakPolarHBondContact CD1-O 3.43Å; I87-L460 HydrophobicContact CD1-CB 4.36Å; I87-L460 HydrophobicContact CD1-CD1 4.09Å; I87-L460 HydrophobicContact CG1-CD2 4.28Å
88L94.6Very high93.4Very high4 Ų420.9 Ų20.92%0.02110%0.104CC..Hα-helixtrans-57.9-43.1177.4-70.9170.4000111.9I63 F66 A67 A70 F84 R85 F91 D92I63-L88 HydrophobicContact CD1-CD2 4.39Å; I63-L88 HydrophobicContact CG2-CD2 3.86Å; F66-L88 HydrophobicContact CB-CD1 4.41Å; F66-L88 HydrophobicContact CB-CD2 3.95Å; F66-L88 HydrophobicContact CB-CG 4.09Å; A67-L88 HydrophobicContact CB-CD1 4.32Å; A70-L88 HydrophobicContact CB-CD1 4.3Å; F84-L88 WeakPolarHBondContact O-CG 3.41Å; F84-L88 PolarHBondContact O-N 2.88Å; R85-L88 PolarHBondContact O-N 2.73Å; L88-F91 PolarHBondContact O-N 3.42Å; L88-D92 WeakPolarHBondContact O-CB 3.39Å; L88-D92 PolarHBondContact O-N 3.49Å
89S92.5Very high93.7Very high31 Ų3111.8 Ų11.822%0.2176%0.064CC..Hα-helixtrans-66.2-38.5178.5-58.10000112.4R85 S86 I87 K93 H706R85-S89 WeakPolarHBondContact O-CB 3.32Å; R85-S89 PolarHBondContact O-N 2.79Å; R85-S89 PolarHBondContact O-OG 3.07Å; S86-S89 PolarHBondContact O-N 2.76Å; I87-S89 VanDerWaalsContact C-N 3.3Å; I87-S89 PolarHBondContact O-N 2.74Å; S89-K93 WeakPolarHBondContact O-CG 3.25Å; S89-K93 PolarHBondContact O-N 2.9Å; S89-H706 WeakPolarHBondContact CB-NE2 3.32Å; S89-H706 PolarHBondContact OG-NE2 3.39Å
90L92.9Very high93.8Very high0 Ų011.8 Ų11.80%06%0.06CC..Hα-helixtrans-66.9-43.6176.4-174.763.1000110.9S86 I87 K93 L94 F134 F185 Q186 L461 F464S86-L90 WeakPolarHBondContact O-CB 3.26Å; S86-L90 PolarHBondContact O-N 3.03Å; I87-L90 PolarHBondContact O-N 2.65Å; L90-K93 PolarHBondContact O-N 3.41Å; L90-L94 PolarHBondContact O-N 3.01Å; L90-L94 VanDerWaalsContact O-N 3.09Å; L90-F134 HydrophobicContact CB-CE2 3.94Å; L90-F134 HydrophobicContact CD2-CD2 4.07Å; L90-F134 HydrophobicContact CD2-CE2 3.66Å; L90-F134 HydrophobicContact CG-CD2 4.26Å; L90-F134 HydrophobicContact CG-CE2 3.7Å; L90-F185 HydrophobicContact CD1-CE1 3.92Å; L90-F185 HydrophobicContact CD1-CE2 3.75Å; L90-F185 HydrophobicContact CD1-CZ 3.25Å; L90-F185 HydrophobicContact CG-CZ 3.96Å; L90-Q186 HydrophobicContact CD1-CB 3.37Å; L90-Q186 HydrophobicContact CD1-CG 4.04Å; L90-L461 HydrophobicContact CD2-CD2 4.02Å; L90-F464 HydrophobicContact CD2-CB 4.35Å; L90-F464 HydrophobicContact CD2-CD2 3.66Å; L90-F464 HydrophobicContact CD2-CE2 4.19Å; L90-F464 HydrophobicContact CD2-CG 4.02Å
91F94.9Very high93.9Very high0 Ų010 Ų100%05%0.048CC..Hα-helixtrans-59-49.5173.6173.2-107000111.7I20 M59 I63 I87 L88 K93 L94 L95 M131 F134I20-F91 HydrophobicContact CD1-CE1 4.32Å; I20-F91 HydrophobicContact CD1-CZ 3.87Å; I20-F91 HydrophobicContact CG1-CZ 3.94Å; M59-F91 HydrophobicContact CE-CD2 4.32Å; M59-F91 HydrophobicContact CE-CE2 4.28Å; M59-F91 HydrophobicContact CG-CD2 4.07Å; M59-F91 HydrophobicContact CG-CE2 3.44Å; M59-F91 VanDerWaalsContact CG-CE2 3.44Å; M59-F91 HydrophobicContact CG-CZ 3.91Å; M59-F91 HydrophobicContact SD-CD2 4.38Å; M59-F91 HydrophobicContact SD-CE2 4.31Å; I63-F91 HydrophobicContact CB-CE1 4.49Å; I63-F91 HydrophobicContact CD1-CB 3.74Å; I63-F91 HydrophobicContact CD1-CD1 3.66Å; I63-F91 HydrophobicContact CD1-CD2 3.86Å; I63-F91 HydrophobicContact CD1-CE1 4.22Å; I63-F91 HydrophobicContact CD1-CE2 4.42Å; I63-F91 HydrophobicContact CD1-CG 3.44Å; I63-F91 VanDerWaalsContact CD1-CG 3.44Å; I63-F91 HydrophobicContact CG1-CD1 3.86Å; I63-F91 HydrophobicContact CG1-CD2 4.13Å; I63-F91 HydrophobicContact CG1-CE1 3.89Å; I63-F91 HydrophobicContact CG1-CE2 4.2Å; I63-F91 HydrophobicContact CG1-CG 3.97Å; I63-F91 HydrophobicContact CG1-CZ 4.05Å; I63-F91 HydrophobicContact CG2-CD1 4.03Å; I63-F91 HydrophobicContact CG2-CE1 3.98Å; I87-F91 WeakPolarHBondContact O-CB 3.34Å; I87-F91 PolarHBondContact O-N 3.45Å; L88-F91 PolarHBondContact O-N 3.42Å; F91-K93 VanDerWaalsContact C-N 3.29Å; F91-K93 PolarHBondContact O-N 3.23Å; F91-L94 PolarHBondContact O-N 3.02Å; F91-L94 VanDerWaalsContact O-N 3.13Å; F91-L95 HydrophobicContact CE1-CB 4.47Å; F91-L95 HydrophobicContact CE1-CD2 3.81Å; F91-L95 HydrophobicContact CE2-CB 4.44Å; F91-L95 HydrophobicContact CZ-CB 4.26Å; F91-L95 HydrophobicContact CZ-CD2 3.77Å; F91-L95 HydrophobicContact CZ-CG 4.46Å; F91-L95 WeakPolarHBondContact O-CB 3.37Å; F91-L95 PolarHBondContact O-N 3.24Å; F91-M131 HydrophobicContact CD2-CE 4.09Å; F91-M131 HydrophobicContact CD2-SD 4.1Å; F91-M131 HydrophobicContact CE2-CE 3.77Å; F91-M131 HydrophobicContact CE2-SD 3.88Å; F91-F134 HydrophobicContact CB-CE1 3.86Å; F91-F134 HydrophobicContact CB-CE2 4.43Å; F91-F134 HydrophobicContact CB-CZ 3.63Å; F91-F134 HydrophobicContact CD2-CE1 4.15Å; F91-F134 HydrophobicContact CG-CE1 4.41Å
92D93.1Very high94Very high6 Ų610 Ų103%0.0325%0.048CC..Hα-helixtrans-58.1-43.1-178.5-70.2-25.7000111.6R16 L88 L96 S550 L552R16-D92 WeakPolarHBondContact CD-OD1 3.25Å; R16-D92 WeakPolarHBondContact CG-OD1 3.42Å; R16-D92 IonicContact CZ-OD1 3.09Å; R16-D92 IonicContact CZ-OD2 3.06Å; R16-D92 VanDerWaalsContact NE-CG 3.34Å; R16-D92 IonicContact NE-OD1 2.99Å; R16-D92 PolarHBondContact NE-OD1 3.48Å; R16-D92 IonicContact NE-OD2 3.15Å; R16-D92 PolarHBondContact NE-OD2 2.92Å; R16-D92 IonicContact NH2-OD1 3.98Å; R16-D92 IonicContact NH2-OD2 2.74Å; R16-D92 PolarHBondContact NH2-OD2 3.2Å; L88-D92 WeakPolarHBondContact O-CB 3.39Å; L88-D92 PolarHBondContact O-N 3.49Å; D92-L96 VanDerWaalsContact O-CB 3.26Å; D92-L96 WeakPolarHBondContact O-CB 3.46Å; D92-L96 PolarHBondContact O-N 2.98Å; D92-S550 VanDerWaalsContact CG-CB 3.43Å; D92-S550 WeakPolarHBondContact OD1-CB 3.25Å; D92-S550 PolarHBondContact OD1-OG 3.4Å; D92-S550 WeakPolarHBondContact OD2-CA 3.47Å; D92-S550 WeakPolarHBondContact OD2-CB 3.4Å; D92-S550 PolarHBondContact OD2-OG 3Å; D92-L552 HydrophobicContact CB-CD1 4.34Å; D92-L552 HydrophobicContact CB-CD2 3.95Å; D92-L552 HydrophobicContact CB-CG 4.37Å
93K92.1Very high93.9Very high40 Ų4010.8 Ų10.817%0.1745%0.052CC..Hα-helixtrans-63.9-44.1176.6-72.7176.3-178178.20111.8S89 L90 F91 L96 L97 F185 Q186 L552S89-K93 WeakPolarHBondContact O-CG 3.25Å; S89-K93 PolarHBondContact O-N 2.9Å; L90-K93 PolarHBondContact O-N 3.41Å; F91-K93 VanDerWaalsContact C-N 3.29Å; F91-K93 PolarHBondContact O-N 3.23Å; K93-L96 PolarHBondContact O-N 2.96Å; K93-L97 WeakPolarHBondContact O-CG 3.41Å; K93-L97 PolarHBondContact O-N 2.76Å; K93-L97 VanDerWaalsContact O-N 3.08Å; K93-F185 HydrophobicContact CB-CD2 4.36Å; K93-F185 HydrophobicContact CB-CE2 4.2Å; K93-Q186 HydrophobicContact CD-CB 4.44Å; K93-Q186 PolarHBondContact NZ-O 2.99Å; K93-L552 HydrophobicContact CG-CD2 4.26Å
94L94.8Very high93.7Very high0 Ų012.2 Ų12.20%06%0.057CC..Hα-helixtrans-66.8-45.9179.2-176.754.4000111.9L90 F91 L96 L97 I98 Y127 L130 M131 F185L90-L94 PolarHBondContact O-N 3.01Å; L90-L94 VanDerWaalsContact O-N 3.09Å; F91-L94 PolarHBondContact O-N 3.02Å; F91-L94 VanDerWaalsContact O-N 3.13Å; L94-L96 VanDerWaalsContact C-N 3.28Å; L94-L96 PolarHBondContact O-N 2.68Å; L94-L97 PolarHBondContact O-N 3.13Å; L94-I98 HydrophobicContact CD1-CD1 4.32Å; L94-I98 HydrophobicContact CG-CD1 4.08Å; L94-I98 WeakPolarHBondContact O-CG1 2.98Å; L94-I98 PolarHBondContact O-N 3.27Å; L94-Y127 HydrophobicContact CD1-CD1 4.04Å; L94-Y127 HydrophobicContact CD1-CG 4.3Å; L94-L130 HydrophobicContact CD1-CD2 3.8Å; L94-L130 HydrophobicContact CD1-CG 4.45Å; L94-L130 HydrophobicContact CD2-CB 4.3Å; L94-L130 HydrophobicContact CD2-CD2 4.12Å; L94-L130 HydrophobicContact CD2-CG 4Å; L94-M131 HydrophobicContact CB-CE 4.26Å; L94-M131 HydrophobicContact CD2-CB 4.07Å; L94-M131 HydrophobicContact CD2-CE 3.81Å; L94-M131 HydrophobicContact CD2-SD 4.1Å; L94-M131 HydrophobicContact CG-CE 3.75Å; L94-F185 HydrophobicContact CB-CE2 3.73Å; L94-F185 HydrophobicContact CB-CZ 4.16Å; L94-F185 HydrophobicContact CD1-CE2 4.38Å
95L95.6Very high93.4Very high2 Ų212.2 Ų12.21%0.016%0.057CC..Hα-helixtrans-59.2-42176.6-179.861.4000110.9M19 I20 A23 L56 F91 I98 V99 M131M19-L95 HydrophobicContact CB-CD2 3.62Å; M19-L95 HydrophobicContact CB-CG 4.41Å; I20-L95 HydrophobicContact CG1-CD2 3.89Å; A23-L95 HydrophobicContact CB-CD1 3.91Å; L56-L95 HydrophobicContact CD2-CD1 3.81Å; F91-L95 HydrophobicContact CE1-CB 4.47Å; F91-L95 HydrophobicContact CE1-CD2 3.81Å; F91-L95 HydrophobicContact CE2-CB 4.44Å; F91-L95 HydrophobicContact CZ-CB 4.26Å; F91-L95 HydrophobicContact CZ-CD2 3.77Å; F91-L95 HydrophobicContact CZ-CG 4.46Å; F91-L95 WeakPolarHBondContact O-CB 3.37Å; F91-L95 PolarHBondContact O-N 3.24Å; L95-I98 WeakPolarHBondContact O-CB 3.47Å; L95-I98 PolarHBondContact O-N 2.88Å; L95-V99 HydrophobicContact CD1-CG2 4.35Å; L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.17Å; L95-M131 HydrophobicContact CB-CE 4.5Å
96L92.9Very high93.2Very high4 Ų412 Ų122%0.0216%0.06CC..Hα-helixtrans-64.1-41.4177.7-173.261.2000112.4F12 M19 D92 K93 L94 I98 V99 Y100 L552 F557 F561 L565F12-L96 HydrophobicContact CE1-CD2 4.31Å; F12-L96 HydrophobicContact CZ-CD1 3.77Å; F12-L96 HydrophobicContact CZ-CD2 3.88Å; M19-L96 HydrophobicContact CE-CD1 3.96Å; D92-L96 VanDerWaalsContact O-CB 3.26Å; D92-L96 WeakPolarHBondContact O-CB 3.46Å; D92-L96 PolarHBondContact O-N 2.98Å; K93-L96 PolarHBondContact O-N 2.96Å; L94-L96 VanDerWaalsContact C-N 3.28Å; L94-L96 PolarHBondContact O-N 2.68Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 2.71Å; L96-V99 PolarHBondContact O-N 3.34Å; L96-Y100 VanDerWaalsContact O-CB 3.25Å; L96-Y100 WeakPolarHBondContact O-CB 3.44Å; L96-Y100 PolarHBondContact O-N 2.88Å; L96-L552 HydrophobicContact CB-CD1 4.23Å; L96-L552 HydrophobicContact CB-CD2 4.45Å; L96-L552 HydrophobicContact CD1-CD1 4.44Å; L96-L552 HydrophobicContact CD2-CB 3.87Å; L96-L552 HydrophobicContact CD2-CD1 3.88Å; L96-L552 HydrophobicContact CD2-CD2 3.81Å; L96-L552 HydrophobicContact CD2-CG 4.02Å; L96-L552 HydrophobicContact CG-CD1 4.43Å; L96-F557 HydrophobicContact CD1-CZ 4.46Å; L96-F557 HydrophobicContact CD2-CD2 4.25Å; L96-F557 HydrophobicContact CD2-CE1 4.1Å; L96-F557 HydrophobicContact CD2-CE2 3.24Å; L96-F557 HydrophobicContact CD2-CZ 3.15Å; L96-F557 HydrophobicContact CG-CE1 4.03Å; L96-F557 HydrophobicContact CG-CE2 4.06Å; L96-F557 HydrophobicContact CG-CZ 3.54Å; L96-F561 HydrophobicContact CD1-CE1 3.82Å; L96-F561 HydrophobicContact CD1-CZ 3.91Å; L96-L565 HydrophobicContact CD1-CD1 4.49Å
97L93Very high92.7Very high38 Ų3814 Ų1420%0.1998%0.076CC..Hα-helixtrans-62.2-39.2174.8-72.4171.7000112.1K93 L94 T101 Y127 F185K93-L97 WeakPolarHBondContact O-CG 3.41Å; K93-L97 PolarHBondContact O-N 2.76Å; K93-L97 VanDerWaalsContact O-N 3.08Å; L94-L97 PolarHBondContact O-N 3.13Å; L97-T101 VanDerWaalsContact O-CB 3.29Å; L97-T101 WeakPolarHBondContact O-CB 3.05Å; L97-T101 PolarHBondContact O-N 2.9Å; L97-T101 PolarHBondContact O-OG1 3.42Å; L97-Y127 HydrophobicContact CB-CD2 4.39Å; L97-Y127 HydrophobicContact CB-CE2 4.06Å; L97-Y127 HydrophobicContact CD1-CE1 4.23Å; L97-F185 HydrophobicContact CD1-CB 3.8Å; L97-F185 HydrophobicContact CD1-CD2 3.74Å; L97-F185 HydrophobicContact CD1-CG 4.15Å
98I95.7Very high91.5Very high0 Ų019.6 Ų19.60%010%0.097CC..Hα-helixtrans-63-52.9174.9-72.4159.2000110.5L52 L94 L95 L96 Y100 T101 L102 L124 Y127 M131L52-I98 HydrophobicContact CD1-CD1 4.03Å; L52-I98 HydrophobicContact CD2-CG2 3.87Å; L94-I98 HydrophobicContact CD1-CD1 4.32Å; L94-I98 HydrophobicContact CG-CD1 4.08Å; L94-I98 WeakPolarHBondContact O-CG1 2.98Å; L94-I98 PolarHBondContact O-N 3.27Å; L95-I98 WeakPolarHBondContact O-CB 3.47Å; L95-I98 PolarHBondContact O-N 2.88Å; L96-I98 VanDerWaalsContact C-N 3.32Å; L96-I98 PolarHBondContact O-N 2.71Å; I98-Y100 VanDerWaalsContact C-N 3.33Å; I98-Y100 PolarHBondContact O-N 3.33Å; I98-T101 PolarHBondContact O-N 3.31Å; I98-L102 HydrophobicContact CG2-CD1 3.67Å; I98-L102 HydrophobicContact CG2-CG 4.41Å; I98-L102 WeakPolarHBondContact O-CB 3.35Å; I98-L102 WeakPolarHBondContact O-CG 3.34Å; I98-L102 PolarHBondContact O-N 2.85Å; I98-L124 HydrophobicContact CG2-CD1 4.44Å; I98-Y127 HydrophobicContact CG1-CD2 4.42Å; I98-Y127 HydrophobicContact CG1-CG 4.36Å; I98-M131 HydrophobicContact CD1-CB 4.3Å; I98-M131 HydrophobicContact CD1-CE 3.5Å
99V95Very high89.9Confident0 Ų021.5 Ų21.50%011%0.106CC..Hα-helixtrans-59.2-44.3179.9171.40000111M19 L22 A23 L26 L95 L96 L102 H103 F561 L565M19-V99 HydrophobicContact CE-CB 4.3Å; M19-V99 HydrophobicContact CE-CG1 4.23Å; M19-V99 HydrophobicContact CE-CG2 4.07Å; L22-V99 HydrophobicContact CD2-CG1 4.06Å; L22-V99 HydrophobicContact CG-CG1 4.48Å; A23-V99 HydrophobicContact CB-CG2 3.68Å; L26-V99 HydrophobicContact CD1-CG1 3.94Å; L95-V99 HydrophobicContact CD1-CG2 4.35Å; L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.17Å; L96-V99 PolarHBondContact O-N 3.34Å; V99-L102 PolarHBondContact O-N 2.99Å; V99-H103 VanDerWaalsContact O-CB 3.26Å; V99-H103 WeakPolarHBondContact O-CB 3.48Å; V99-H103 PolarHBondContact O-N 3.49Å; V99-F561 HydrophobicContact CG1-CE2 4Å; V99-F561 HydrophobicContact CG1-CZ 4Å; V99-L565 HydrophobicContact CG1-CD2 4.23Å
100Y92.5Very high88Confident42 Ų4227.6 Ų27.617%0.16513%0.131CC..Hα-helixtrans-63-43.2177.1177.8-114.5000112.6L96 I98 H103 R104 F557 D558 F561L96-Y100 VanDerWaalsContact O-CB 3.25Å; L96-Y100 WeakPolarHBondContact O-CB 3.44Å; L96-Y100 PolarHBondContact O-N 2.88Å; I98-Y100 VanDerWaalsContact C-N 3.33Å; I98-Y100 PolarHBondContact O-N 3.33Å; Y100-H103 PolarHBondContact O-N 3.06Å; Y100-R104 HydrophobicContact CE2-CG 4.25Å; Y100-R104 VanDerWaalsContact CZ-CD 3.41Å; Y100-R104 WeakPolarHBondContact O-CG 3.49Å; Y100-R104 PolarHBondContact O-N 2.82Å; Y100-F557 HydrophobicContact CD1-CD1 4.4Å; Y100-F557 HydrophobicContact CD1-CE1 4.35Å; Y100-F557 AromaticContact CD2-CD1 3.81Å; Y100-F557 HydrophobicContact CD2-CD1 3.81Å; Y100-F557 HydrophobicContact CD2-CE1 4.37Å; Y100-F557 HydrophobicContact CE2-CD1 4.13Å; Y100-F557 AromaticContact CG-CD1 3.94Å; Y100-F557 HydrophobicContact CG-CD1 3.94Å; Y100-F557 HydrophobicContact CG-CE1 4.04Å; Y100-D558 PolarHBondContact OH-OD2 3.45Å; Y100-F561 HydrophobicContact CD2-CB 4.11Å; Y100-F561 AromaticContact CD2-CD1 3.8Å; Y100-F561 HydrophobicContact CD2-CD1 3.8Å; Y100-F561 AromaticContact CD2-CD2 3.79Å; Y100-F561 HydrophobicContact CD2-CD2 3.79Å; Y100-F561 HydrophobicContact CD2-CE1 4.05Å; Y100-F561 HydrophobicContact CD2-CE2 4.08Å; Y100-F561 AromaticContact CD2-CG 3.62Å; Y100-F561 HydrophobicContact CD2-CG 3.62Å; Y100-F561 HydrophobicContact CD2-CZ 4.18Å; Y100-F561 HydrophobicContact CE2-CB 4.13Å; Y100-F561 HydrophobicContact CE2-CD1 4.45Å; Y100-F561 HydrophobicContact CE2-CG 4.15Å
101T92.5Very high85.9Confident3 Ų339 Ų392%0.01817%0.174CC..Hα-helixtrans-65.6-45.8178.8-57.40000111.3L97 I98 R104 L105 E120 L124 Y127L97-T101 VanDerWaalsContact O-CB 3.29Å; L97-T101 WeakPolarHBondContact O-CB 3.05Å; L97-T101 PolarHBondContact O-N 2.9Å; L97-T101 PolarHBondContact O-OG1 3.42Å; I98-T101 PolarHBondContact O-N 3.31Å; T101-R104 PolarHBondContact O-N 3.42Å; T101-L105 HydrophobicContact CG2-CD1 4.23Å; T101-L105 WeakPolarHBondContact O-CG 3.37Å; T101-L105 PolarHBondContact O-N 3.01Å; T101-L105 VanDerWaalsContact O-N 3.08Å; T101-E120 HydrophobicContact CG2-CB 4.13Å; T101-E120 WeakPolarHBondContact CG2-O 3.35Å; T101-L124 HydrophobicContact CG2-CB 4.05Å; T101-Y127 WeakPolarHBondContact OG1-CE2 3.43Å
102L94.1Very high84.4Confident0 Ų043.1 Ų43.10%019%0.19CC..Hα-helixtrans-62.2-44.8175.7-71.7165.6000111.6L26 I27 F30 L49 I98 V99 R104 L105 V106 L124L26-L102 HydrophobicContact CB-CB 3.82Å; L26-L102 HydrophobicContact CB-CD1 4.05Å; L26-L102 HydrophobicContact CB-CG 4.48Å; L26-L102 HydrophobicContact CD1-CB 4.21Å; I27-L102 HydrophobicContact CD1-CD1 4.44Å; I27-L102 HydrophobicContact CG1-CD1 3.68Å; I27-L102 HydrophobicContact CG1-CD2 4.04Å; F30-L102 HydrophobicContact CB-CD2 4.44Å; F30-L102 HydrophobicContact CD1-CD2 4.46Å; L49-L102 HydrophobicContact CD2-CD2 4.31Å; I98-L102 HydrophobicContact CG2-CD1 3.67Å; I98-L102 HydrophobicContact CG2-CG 4.41Å; I98-L102 WeakPolarHBondContact O-CB 3.35Å; I98-L102 WeakPolarHBondContact O-CG 3.34Å; I98-L102 PolarHBondContact O-N 2.85Å; V99-L102 PolarHBondContact O-N 2.99Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 3.36Å; L102-L105 WeakPolarHBondContact O-CB 3.13Å; L102-L105 PolarHBondContact O-N 3.41Å; L102-L105 VanDerWaalsContact O-N 3.1Å; L102-V106 WeakPolarHBondContact O-CG2 3.25Å; L102-V106 PolarHBondContact O-N 2.88Å; L102-L124 HydrophobicContact CD2-CD1 4.02Å; L102-L124 HydrophobicContact CD2-CD2 3.7Å; L102-L124 HydrophobicContact CG-CD1 4Å
103H92.6Very high82.9Confident17 Ų1750.2 Ų50.28%0.07923%0.226CC..Hα-helixtrans-56-46.4176.2174.774.8000111.3V99 Y100 L105 V106 A107 F561 F564V99-H103 VanDerWaalsContact O-CB 3.26Å; V99-H103 WeakPolarHBondContact O-CB 3.48Å; V99-H103 PolarHBondContact O-N 3.49Å; Y100-H103 PolarHBondContact O-N 3.06Å; H103-L105 VanDerWaalsContact C-N 3.3Å; H103-L105 PolarHBondContact O-N 3.48Å; H103-V106 PolarHBondContact O-N 3.04Å; H103-A107 WeakPolarHBondContact O-CB 3.37Å; H103-A107 PolarHBondContact O-N 3.17Å; H103-F561 HydrophobicContact CB-CD2 4.09Å; H103-F561 HydrophobicContact CB-CE2 4.07Å; H103-F561 AromaticContact CD2-CD2 3.7Å; H103-F561 AromaticContact CG-CD2 3.88Å; H103-F564 HydrophobicContact CB-CE1 4.32Å; H103-F564 AromaticContact CE1-CD1 3.81Å; H103-F564 AromaticContact CE1-CD2 3.7Å; H103-F564 AromaticContact CE1-CG 3.4Å; H103-F564 WeakPolarHBondContact CE1-CG 3.38Å; H103-F564 AromaticContact CG-CD1 3.96Å; H103-F564 AromaticContact ND1-CD1 3.41Å; H103-F564 WeakPolarHBondContact ND1-CD1 3.42Å; H103-F564 AromaticContact ND1-CD2 3.64Å; H103-F564 AromaticContact ND1-CE1 3.62Å; H103-F564 AromaticContact ND1-CE2 3.84Å; H103-F564 AromaticContact ND1-CG 3.41Å; H103-F564 WeakPolarHBondContact ND1-CG 3.15Å; H103-F564 AromaticContact ND1-CZ 3.82Å
104R89.8Confident81.6Confident30 Ų3054.3 Ų54.311%0.11325%0.25CC..Hα-helixtrans-64.3-33.6177.6-74.4178.363.9-142.7-3.5113.3Y100 T101 L102 F115 E120Y100-R104 HydrophobicContact CE2-CG 4.25Å; Y100-R104 VanDerWaalsContact CZ-CD 3.41Å; Y100-R104 WeakPolarHBondContact O-CG 3.49Å; Y100-R104 PolarHBondContact O-N 2.82Å; T101-R104 PolarHBondContact O-N 3.42Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 3.36Å; R104-F115 HydrophobicContact CB-CE2 4.21Å; R104-F115 WeakPolarHBondContact O-CE2 3.5Å; R104-E120 VanDerWaalsContact CZ-CD 3.48Å; R104-E120 IonicContact CZ-OE1 3.52Å; R104-E120 IonicContact CZ-OE2 3.25Å; R104-E120 IonicContact NH1-OE1 2.94Å; R104-E120 PolarHBondContact NH1-OE1 2.79Å; R104-E120 IonicContact NH1-OE2 2.89Å; R104-E120 PolarHBondContact NH1-OE2 3.29Å; R104-E120 IonicContact NH2-OE1 3.88Å; R104-E120 PolarHBondContact NH2-OE1 2.91Å
105L89.6Confident80.7Confident6 Ų656.6 Ų56.63%0.03126%0.26CS..Hα-helixtrans-70.7-40.6175.4-74.6166.9000112F30 T101 L102 H103 R117 E120 E121 L124F30-L105 HydrophobicContact CD1-CD1 4.36Å; F30-L105 HydrophobicContact CD2-CB 3.69Å; F30-L105 HydrophobicContact CE1-CD1 3.98Å; F30-L105 HydrophobicContact CE2-CB 3.7Å; F30-L105 HydrophobicContact CE2-CD1 4.18Å; F30-L105 HydrophobicContact CE2-CD2 3.94Å; F30-L105 HydrophobicContact CE2-CG 4.16Å; F30-L105 HydrophobicContact CG-CB 4.28Å; F30-L105 HydrophobicContact CZ-CB 4.27Å; F30-L105 HydrophobicContact CZ-CD1 3.88Å; F30-L105 HydrophobicContact CZ-CD2 4Å; F30-L105 HydrophobicContact CZ-CG 4.28Å; T101-L105 HydrophobicContact CG2-CD1 4.23Å; T101-L105 WeakPolarHBondContact O-CG 3.37Å; T101-L105 PolarHBondContact O-N 3.01Å; T101-L105 VanDerWaalsContact O-N 3.08Å; L102-L105 WeakPolarHBondContact O-CB 3.13Å; L102-L105 PolarHBondContact O-N 3.41Å; L102-L105 VanDerWaalsContact O-N 3.1Å; H103-L105 VanDerWaalsContact C-N 3.3Å; H103-L105 PolarHBondContact O-N 3.48Å; L105-R117 HydrophobicContact CD2-CG 3.93Å; L105-E120 HydrophobicContact CD1-CB 4.33Å; L105-E120 HydrophobicContact CD2-CB 3.78Å; L105-E120 HydrophobicContact CG-CB 3.98Å; L105-E121 HydrophobicContact CD2-CG 4.19Å; L105-L124 HydrophobicContact CD1-CD2 3.9Å
106V90.1Very high80Confident28 Ų2860.2 Ų60.217%0.1728%0.282CS..Hα-helixtrans-75.6-45.6179.9172.60000112.2L26 D29 F30 I33 L102 H103 R108L26-V106 HydrophobicContact CD2-CG2 4.31Å; D29-V106 HydrophobicContact CB-CG1 4.23Å; D29-V106 HydrophobicContact CB-CG2 4.04Å; F30-V106 HydrophobicContact CB-CG2 3.82Å; I33-V106 HydrophobicContact CD1-CB 4.34Å; I33-V106 HydrophobicContact CD1-CG1 3.93Å; I33-V106 HydrophobicContact CD1-CG2 4.46Å; L102-V106 WeakPolarHBondContact O-CG2 3.25Å; L102-V106 PolarHBondContact O-N 2.88Å; H103-V106 PolarHBondContact O-N 3.04Å; V106-R108 PolarHBondContact O-N 3.12Å; V106-R108 VanDerWaalsContact O-N 3.08Å
107A84.5Confident79.5Confident42 Ų4262.4 Ų62.435%0.34729%0.29SS..THydrogen-bonded Turntrans-68.4-8-176.600000113.7H103 H109H103-A107 WeakPolarHBondContact O-CB 3.37Å; H103-A107 PolarHBondContact O-N 3.17Å; A107-H109 VanDerWaalsContact C-N 3.32Å; A107-H109 WeakPolarHBondContact CB-NE2 3.39Å; A107-H109 PolarHBondContact O-N 3.2Å
108R68.9Low79.1Confident118 Ų11869.8 Ų69.845%0.44532%0.315SS..THydrogen-bonded Turntrans47.448176.4-63.9-173.8175.8114.9-11.7113.1I33 E37 V106 Q110I33-R108 VanDerWaalsContact CG2-NH2 3.35Å; E37-R108 IonicContact OE1-CZ 3.63Å; E37-R108 VanDerWaalsContact OE1-CZ 3.27Å; E37-R108 IonicContact OE1-NE 2.67Å; E37-R108 PolarHBondContact OE1-NE 3.46Å; E37-R108 IonicContact OE1-NH2 2.9Å; E37-R108 PolarHBondContact OE1-NH2 3.17Å; V106-R108 PolarHBondContact O-N 3.12Å; V106-R108 VanDerWaalsContact O-N 3.08Å; R108-Q110 VanDerWaalsContact C-N 3.28Å; R108-Q110 PolarHBondContact O-N 3.05Å
109H60.7Low78.5Confident45 Ų4576.1 Ų76.121%0.20834%0.339CS..  trans-65.486.2177.8-66.9-75.4000111.3A107 W111 D560A107-H109 VanDerWaalsContact C-N 3.32Å; A107-H109 WeakPolarHBondContact CB-NE2 3.39Å; A107-H109 PolarHBondContact O-N 3.2Å; H109-W111 PolarHBondContact O-N 3.41Å; H109-W111 VanDerWaalsContact O-N 3.12Å; H109-D560 IonicContact CE1-OD2 2.91Å
110Q52.9Low78.2Confident159 Ų15976.3 Ų76.374%0.74334%0.34SS*.THydrogen-bonded Turntrans-65.9-11.2179.5-69.2-175.4-7.700113.2R108R108-Q110 VanDerWaalsContact C-N 3.28Å; R108-Q110 PolarHBondContact O-N 3.05Å
111W49.4Very low78Confident239 Ų23975.1 Ų75.191%0.90534%0.336SS*.THydrogen-bonded Turntrans-114.317.7-164.3-58.796000115.4H109H109-W111 PolarHBondContact O-N 3.41Å; H109-W111 VanDerWaalsContact O-N 3.12Å
112R62.9Low77.8Confident87 Ų8777.9 Ų77.933%0.32835%0.35SS..  trans-107.9125.9176.5-66.6-169.1179.9-167.511111.5N114 F115 D558 D560R112-N114 PolarHBondContact O-N 3.41Å; R112-F115 HydrophobicContact CB-CB 4.24Å; R112-F115 PolarHBondContact O-N 3.37Å; R112-D558 IonicContact CZ-OD1 2.7Å; R112-D558 IonicContact CZ-OD2 2.87Å; R112-D558 IonicContact NH1-OD1 3.46Å; R112-D558 IonicContact NH1-OD2 2.99Å; R112-D558 PolarHBondContact NH1-OD2 3.19Å; R112-D558 IonicContact NH2-OD1 3.95Å; R112-D558 PolarHBondContact NH2-OD1 3.39Å; R112-D558 IonicContact NH2-OD2 3.86Å; R112-D558 PolarHBondContact NH2-OD2 3.05Å; R112-D560 IonicContact CZ-OD2 2.71Å; R112-D560 IonicContact NH2-OD2 2.9Å; R112-D560 PolarHBondContact NH2-OD2 3.2Å
113I61.1Low77.6Confident154 Ų15478.9 Ų78.979%0.7936%0.356SS*.THydrogen-bonded Turntrans-54.4-30.6-174.9-63.9167000113.2
114N65.9Low77.6Confident126 Ų12678.3 Ų78.367%0.67435%0.353SS*.THydrogen-bonded Turntrans-101.61-175.7-66.1-20.9000114.2R112 T116R112-N114 PolarHBondContact O-N 3.41Å; N114-T116 PolarHBondContact O-N 3.29Å
115F74.5Confident77.7Confident48 Ų4877.8 Ų77.821%0.21135%0.353CS..  trans-81.6117.4178.7177.7-93.5000110.1R104 R112 R117 E120R104-F115 HydrophobicContact CB-CE2 4.21Å; R104-F115 WeakPolarHBondContact O-CE2 3.5Å; R112-F115 HydrophobicContact CB-CB 4.24Å; R112-F115 PolarHBondContact O-N 3.37Å; F115-R117 HydrophobicContact CE1-CB 4.21Å; F115-R117 HydrophobicContact CZ-CB 4.28Å; F115-E120 HydrophobicContact CD2-CG 4.04Å; F115-E120 HydrophobicContact CE2-CG 3.79Å
116T81.6Confident77.7Confident78 Ų7878 Ų7848%0.47936%0.355SS..  trans-125.4113.9167.9-56.20000107.2N114 R118 R119 E120N114-T116 PolarHBondContact O-N 3.29Å; T116-R118 VanDerWaalsContact C-N 3.25Å; T116-R118 HydrophobicContact CG2-CB 4.13Å; T116-R118 PolarHBondContact O-N 3.2Å; T116-R119 HydrophobicContact CG2-CB 4.4Å; T116-R119 WeakPolarHBondContact O-CA 3.48Å; T116-R119 VanDerWaalsContact O-CB 3.31Å; T116-R119 WeakPolarHBondContact O-CB 3.43Å; T116-R119 PolarHBondContact O-N 3.02Å; T116-E120 PolarHBondContact O-N 2.97Å; T116-E120 VanDerWaalsContact O-N 3.11Å
117R82Confident77.9Confident51 Ų5178 Ų7819%0.19235%0.352CS..Hα-helixtrans-48.6-47.3178.7-178.5177-176.9151.51.1112.7E37 L105 F115 R119 E120 E121E37-R117 IonicContact OE2-CZ 3.99Å; E37-R117 IonicContact OE2-NH1 2.68Å; E37-R117 PolarHBondContact OE2-NH1 2.84Å; E37-R117 IonicContact OE2-NH2 2.81Å; E37-R117 PolarHBondContact OE2-NH2 3.48Å; L105-R117 HydrophobicContact CD2-CG 3.93Å; F115-R117 HydrophobicContact CE1-CB 4.21Å; F115-R117 HydrophobicContact CZ-CB 4.28Å; R117-R119 VanDerWaalsContact C-N 3.26Å; R117-R119 PolarHBondContact O-N 3.04Å; R117-E120 PolarHBondContact O-N 3.28Å; R117-E120 VanDerWaalsContact O-N 3.1Å; R117-E121 HydrophobicContact CG-CG 4.3Å; R117-E121 WeakPolarHBondContact CG-OE1 3.28Å; R117-E121 IonicContact CZ-OE1 3.71Å; R117-E121 IonicContact NE-OE1 2.7Å; R117-E121 PolarHBondContact NE-OE1 3.25Å; R117-E121 WeakPolarHBondContact O-CG 3.26Å; R117-E121 PolarHBondContact O-N 2.94Å
118R84.3Confident78.4Confident192 Ų19276.1 Ų76.173%0.72534%0.336SS*.Hα-helixtrans-55.5-37.6175.8-177.4178179.7178.12.1113.4T116 L122T116-R118 VanDerWaalsContact C-N 3.25Å; T116-R118 HydrophobicContact CG2-CB 4.13Å; T116-R118 PolarHBondContact O-N 3.2Å; R118-L122 HydrophobicContact CG-CD1 4.42Å; R118-L122 VanDerWaalsContact O-CG 3.29Å; R118-L122 WeakPolarHBondContact O-CG 3.33Å; R118-L122 PolarHBondContact O-N 2.89Å; R118-L122 VanDerWaalsContact O-N 3.14Å
119R84.6Confident79.6Confident133 Ų13374.1 Ų74.150%0.50233%0.332SS..Hα-helixtrans-69.5-43.4178.2-179-177.2-179.81740.7110.7T116 R117 L122 N123T116-R119 HydrophobicContact CG2-CB 4.4Å; T116-R119 WeakPolarHBondContact O-CA 3.48Å; T116-R119 VanDerWaalsContact O-CB 3.31Å; T116-R119 WeakPolarHBondContact O-CB 3.43Å; T116-R119 PolarHBondContact O-N 3.02Å; R117-R119 VanDerWaalsContact C-N 3.26Å; R117-R119 PolarHBondContact O-N 3.04Å; R119-L122 PolarHBondContact O-N 3.34Å; R119-N123 VanDerWaalsContact O-CG 3.25Å; R119-N123 PolarHBondContact O-N 2.94Å; R119-N123 PolarHBondContact O-OD1 2.98Å
120E87.7Confident81.2Confident5 Ų572 Ų722%0.02332%0.322CS..Hα-helixtrans-65.9-39.7177.7-55.5-50.5147.600111.4T101 R104 L105 F115 T116 R117 L122 N123 L124T101-E120 HydrophobicContact CG2-CB 4.13Å; T101-E120 WeakPolarHBondContact CG2-O 3.35Å; R104-E120 VanDerWaalsContact CZ-CD 3.48Å; R104-E120 IonicContact CZ-OE1 3.52Å; R104-E120 IonicContact CZ-OE2 3.25Å; R104-E120 IonicContact NH1-OE1 2.94Å; R104-E120 PolarHBondContact NH1-OE1 2.79Å; R104-E120 IonicContact NH1-OE2 2.89Å; R104-E120 PolarHBondContact NH1-OE2 3.29Å; R104-E120 IonicContact NH2-OE1 3.88Å; R104-E120 PolarHBondContact NH2-OE1 2.91Å; L105-E120 HydrophobicContact CD1-CB 4.33Å; L105-E120 HydrophobicContact CD2-CB 3.78Å; L105-E120 HydrophobicContact CG-CB 3.98Å; F115-E120 HydrophobicContact CD2-CG 4.04Å; F115-E120 HydrophobicContact CE2-CG 3.79Å; T116-E120 PolarHBondContact O-N 2.97Å; T116-E120 VanDerWaalsContact O-N 3.11Å; R117-E120 PolarHBondContact O-N 3.28Å; R117-E120 VanDerWaalsContact O-N 3.1Å; E120-L122 PolarHBondContact O-N 3.19Å; E120-N123 PolarHBondContact O-N 3.32Å; E120-L124 WeakPolarHBondContact O-CB 3.4Å; E120-L124 PolarHBondContact O-N 2.96Å
121E89.3Confident83.3Confident17 Ų1764.4 Ų64.48%0.07929%0.287CS..Hα-helixtrans-61.8-41.2174.3-73.7173.6175.100112.2F30 V45 L105 R117 L124 D125F30-E121 HydrophobicContact CZ-CG 4.2Å; V45-E121 HydrophobicContact CG2-CB 4.12Å; V45-E121 HydrophobicContact CG2-CG 4.46Å; L105-E121 HydrophobicContact CD2-CG 4.19Å; R117-E121 HydrophobicContact CG-CG 4.3Å; R117-E121 WeakPolarHBondContact CG-OE1 3.28Å; R117-E121 IonicContact CZ-OE1 3.71Å; R117-E121 IonicContact NE-OE1 2.7Å; R117-E121 PolarHBondContact NE-OE1 3.25Å; R117-E121 WeakPolarHBondContact O-CG 3.26Å; R117-E121 PolarHBondContact O-N 2.94Å; E121-L124 PolarHBondContact O-N 2.98Å; E121-D125 PolarHBondContact O-N 3.49Å
122L87.9Confident85.5Confident60 Ų6057 Ų5731%0.31426%0.261SS..Hα-helixtrans-67.6-37.1174.5-72.1170.9000112.8R118 R119 E120 S126R118-L122 HydrophobicContact CG-CD1 4.42Å; R118-L122 VanDerWaalsContact O-CG 3.29Å; R118-L122 WeakPolarHBondContact O-CG 3.33Å; R118-L122 PolarHBondContact O-N 2.89Å; R118-L122 VanDerWaalsContact O-N 3.14Å; R119-L122 PolarHBondContact O-N 3.34Å; E120-L122 PolarHBondContact O-N 3.19Å; L122-S126 PolarHBondContact O-N 3.38Å; L122-S126 PolarHBondContact O-OG 3.03Å
123N89.6Confident86.9Confident22 Ų2253.1 Ų53.112%0.11825%0.247CC..Hα-helixtrans-64.9-44.7174.3-71.2-8.8000110.4R119 E120 D125 S126 Y127 R181R119-N123 VanDerWaalsContact O-CG 3.25Å; R119-N123 PolarHBondContact O-N 2.94Å; R119-N123 PolarHBondContact O-OD1 2.98Å; E120-N123 PolarHBondContact O-N 3.32Å; N123-D125 PolarHBondContact O-N 3.02Å; N123-S126 WeakPolarHBondContact O-CB 3.36Å; N123-S126 PolarHBondContact O-N 3.03Å; N123-Y127 HydrophobicContact CB-CD2 4.44Å; N123-Y127 HydrophobicContact CB-CE2 3.85Å; N123-Y127 WeakPolarHBondContact O-CD2 3.41Å; N123-Y127 PolarHBondContact O-N 2.72Å; N123-R181 WeakPolarHBondContact OD1-CD 3.21Å; N123-R181 PolarHBondContact OD1-NE 2.81Å
124L92.5Very high88.6Confident4 Ų445.8 Ų45.82%0.02121%0.21CC..Hα-helixtrans-61.6-43.1178.6-174.862.8000112F30 L49 L52 I98 T101 L102 L105 E120 E121 Y127 S128F30-L124 HydrophobicContact CD1-CD2 4.42Å; F30-L124 HydrophobicContact CE1-CD2 4.31Å; L49-L124 HydrophobicContact CD2-CD2 3.61Å; L52-L124 HydrophobicContact CD2-CD1 3.96Å; I98-L124 HydrophobicContact CG2-CD1 4.44Å; T101-L124 HydrophobicContact CG2-CB 4.05Å; L102-L124 HydrophobicContact CD2-CD1 4.02Å; L102-L124 HydrophobicContact CD2-CD2 3.7Å; L102-L124 HydrophobicContact CG-CD1 4Å; L105-L124 HydrophobicContact CD1-CD2 3.9Å; E120-L124 WeakPolarHBondContact O-CB 3.4Å; E120-L124 PolarHBondContact O-N 2.96Å; E121-L124 PolarHBondContact O-N 2.98Å; L124-Y127 PolarHBondContact O-N 3.49Å; L124-S128 WeakPolarHBondContact O-CB 3.46Å; L124-S128 PolarHBondContact O-N 2.84Å
125D91Very high90Very high20 Ų2041.2 Ų41.211%0.10718%0.183CC..Hα-helixtrans-58.9-46.2172.9178.145.8000111.8S48 E121 N123 Y127 S128 Q129S48-D125 PolarHBondContact OG-OD1 3.3Å; E121-D125 PolarHBondContact O-N 3.49Å; N123-D125 PolarHBondContact O-N 3.02Å; D125-Y127 PolarHBondContact O-N 2.89Å; D125-S128 WeakPolarHBondContact O-CB 3.44Å; D125-S128 PolarHBondContact O-N 3.19Å; D125-Q129 VanDerWaalsContact CG-NE2 3.3Å; D125-Q129 WeakPolarHBondContact O-CG 3.27Å; D125-Q129 PolarHBondContact O-N 2.99Å; D125-Q129 PolarHBondContact OD1-NE2 3.47Å; D125-Q129 VanDerWaalsContact OD1-NE2 3.08Å; D125-Q129 PolarHBondContact OD2-NE2 2.73Å
126S91Very high91Very high11 Ų1142.3 Ų42.38%0.07719%0.189CC..Hα-helixtrans-61.2-43.2176.7-58.90000112.1L122 N123 S128 Q129 L130 R181L122-S126 PolarHBondContact O-N 3.38Å; L122-S126 PolarHBondContact O-OG 3.03Å; N123-S126 WeakPolarHBondContact O-CB 3.36Å; N123-S126 PolarHBondContact O-N 3.03Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S126-Q129 PolarHBondContact O-N 2.76Å; S126-L130 WeakPolarHBondContact O-CB 3.5Å; S126-L130 PolarHBondContact O-N 2.76Å; S126-R181 WeakPolarHBondContact OG-CB 3.28Å
127Y94.3Very high91.6Very high27 Ų2738.6 Ų38.611%0.10617%0.166CC..Hα-helixtrans-68.7-32.9177.5-58.7-34.6000112.4L94 L97 I98 T101 N123 L124 D125 L130 M131 A182L94-Y127 HydrophobicContact CD1-CD1 4.04Å; L94-Y127 HydrophobicContact CD1-CG 4.3Å; L97-Y127 HydrophobicContact CB-CD2 4.39Å; L97-Y127 HydrophobicContact CB-CE2 4.06Å; L97-Y127 HydrophobicContact CD1-CE1 4.23Å; I98-Y127 HydrophobicContact CG1-CD2 4.42Å; I98-Y127 HydrophobicContact CG1-CG 4.36Å; T101-Y127 WeakPolarHBondContact OG1-CE2 3.43Å; N123-Y127 HydrophobicContact CB-CD2 4.44Å; N123-Y127 HydrophobicContact CB-CE2 3.85Å; N123-Y127 WeakPolarHBondContact O-CD2 3.41Å; N123-Y127 PolarHBondContact O-N 2.72Å; L124-Y127 PolarHBondContact O-N 3.49Å; D125-Y127 PolarHBondContact O-N 2.89Å; Y127-L130 PolarHBondContact O-N 2.79Å; Y127-M131 VanDerWaalsContact O-CB 3.27Å; Y127-M131 WeakPolarHBondContact O-CB 3.5Å; Y127-M131 PolarHBondContact O-N 3.08Å; Y127-A182 HydrophobicContact CD1-CB 3.97Å; Y127-A182 HydrophobicContact CE1-CB 3.81Å
128S94.7Very high92.2Very high2 Ų236.2 Ų36.21%0.01416%0.157CC..Hα-helixtrans-62.2-50.8173.6-179.90000111.6S48 L124 D125 S126 L130 M131 K132S48-S128 PolarHBondContact O-OG 3.19Å; S48-S128 VanDerWaalsContact O-OG 3.05Å; L124-S128 WeakPolarHBondContact O-CB 3.46Å; L124-S128 PolarHBondContact O-N 2.84Å; D125-S128 WeakPolarHBondContact O-CB 3.44Å; D125-S128 PolarHBondContact O-N 3.19Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S128-L130 VanDerWaalsContact C-N 3.28Å; S128-L130 PolarHBondContact O-N 2.85Å; S128-M131 PolarHBondContact O-N 3.37Å; S128-K132 PolarHBondContact O-N 3.01Å
129Q93.1Very high92.7Very high76 Ų7628.6 Ų28.636%0.35513%0.131SC..Hα-helixtrans-60.7-41.2176.7-66.4172.137.500111.1D125 S126 K132 S133 A177D125-Q129 VanDerWaalsContact CG-NE2 3.3Å; D125-Q129 WeakPolarHBondContact O-CG 3.27Å; D125-Q129 PolarHBondContact O-N 2.99Å; D125-Q129 PolarHBondContact OD1-NE2 3.47Å; D125-Q129 VanDerWaalsContact OD1-NE2 3.08Å; D125-Q129 PolarHBondContact OD2-NE2 2.73Å; S126-Q129 PolarHBondContact O-N 2.76Å; Q129-K132 WeakPolarHBondContact O-CB 3.17Å; Q129-K132 PolarHBondContact O-N 3.32Å; Q129-S133 PolarHBondContact O-N 2.62Å; Q129-S133 VanDerWaalsContact O-N 3.12Å; Q129-S133 PolarHBondContact O-OG 2.75Å; Q129-A177 HydrophobicContact CB-CB 3.76Å
130L94.5Very high93.2Very high1 Ų123.4 Ų23.41%0.00511%0.113CC..Hα-helixtrans-64.4-42177.1-167.565.9000112.8L94 S126 Y127 S128 K132 S133 F134 A177 A178 A182 F185 F464L94-L130 HydrophobicContact CD1-CD2 3.8Å; L94-L130 HydrophobicContact CD1-CG 4.45Å; L94-L130 HydrophobicContact CD2-CB 4.3Å; L94-L130 HydrophobicContact CD2-CD2 4.12Å; L94-L130 HydrophobicContact CD2-CG 4Å; S126-L130 WeakPolarHBondContact O-CB 3.5Å; S126-L130 PolarHBondContact O-N 2.76Å; Y127-L130 PolarHBondContact O-N 2.79Å; S128-L130 VanDerWaalsContact C-N 3.28Å; S128-L130 PolarHBondContact O-N 2.85Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 3.41Å; L130-S133 PolarHBondContact O-N 2.8Å; L130-F134 WeakPolarHBondContact O-CB 3.4Å; L130-F134 PolarHBondContact O-N 2.99Å; L130-A177 HydrophobicContact CB-CB 3.99Å; L130-A177 HydrophobicContact CD1-CB 4.08Å; L130-A178 HydrophobicContact CD1-CB 3.76Å; L130-A182 HydrophobicContact CD2-CB 3.82Å; L130-F185 HydrophobicContact CD2-CD1 3.94Å; L130-F185 HydrophobicContact CD2-CE1 3.57Å; L130-F185 HydrophobicContact CD2-CZ 4.04Å; L130-F464 HydrophobicContact CD1-CD1 3.7Å; L130-F464 HydrophobicContact CD1-CE1 3.56Å; L130-F464 HydrophobicContact CG-CE1 4.24Å
131M96.3Very high93.4Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-65-36178.3-17660.380.100111.3L52 V55 L56 M59 F91 L94 L95 I98 Y127 S128 F134 Y135L52-M131 HydrophobicContact CD1-CB 4.07Å; L52-M131 HydrophobicContact CD1-CG 4.01Å; V55-M131 HydrophobicContact CG1-CG 3.73Å; L56-M131 HydrophobicContact CD2-CE 4.21Å; M59-M131 HydrophobicContact CE-CG 4.4Å; M59-M131 HydrophobicContact CE-SD 3.46Å; M59-M131 WeakPolarHBondContact CE-SD 3.38Å; F91-M131 HydrophobicContact CD2-CE 4.09Å; F91-M131 HydrophobicContact CD2-SD 4.1Å; F91-M131 HydrophobicContact CE2-CE 3.77Å; F91-M131 HydrophobicContact CE2-SD 3.88Å; L94-M131 HydrophobicContact CB-CE 4.26Å; L94-M131 HydrophobicContact CD2-CB 4.07Å; L94-M131 HydrophobicContact CD2-CE 3.81Å; L94-M131 HydrophobicContact CD2-SD 4.1Å; L94-M131 HydrophobicContact CG-CE 3.75Å; L95-M131 HydrophobicContact CB-CE 4.5Å; I98-M131 HydrophobicContact CD1-CB 4.3Å; I98-M131 HydrophobicContact CD1-CE 3.5Å; Y127-M131 VanDerWaalsContact O-CB 3.27Å; Y127-M131 WeakPolarHBondContact O-CB 3.5Å; Y127-M131 PolarHBondContact O-N 3.08Å; S128-M131 PolarHBondContact O-N 3.37Å; M131-F134 PolarHBondContact O-N 3.28Å; M131-Y135 WeakPolarHBondContact O-CB 3.35Å; M131-Y135 PolarHBondContact O-N 3.42Å
132K95.5Very high93.6Very high83 Ų8324.3 Ų24.336%0.36112%0.12SC..Hα-helixtrans-62.6-52.2173-178-175.9175.9-177.90111.8V55 S128 Q129 L130 F134 Y135 E136V55-K132 HydrophobicContact CG2-CB 4.2Å; V55-K132 HydrophobicContact CG2-CG 4.35Å; S128-K132 PolarHBondContact O-N 3.01Å; Q129-K132 WeakPolarHBondContact O-CB 3.17Å; Q129-K132 PolarHBondContact O-N 3.32Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 3.41Å; K132-F134 VanDerWaalsContact C-N 3.26Å; K132-F134 PolarHBondContact O-N 3.25Å; K132-Y135 WeakPolarHBondContact O-CB 3.45Å; K132-Y135 PolarHBondContact O-N 3.37Å; K132-Y135 VanDerWaalsContact O-N 3.12Å; K132-E136 WeakPolarHBondContact CE-OE1 3.32Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 3Å
133S93.8Very high93.9Very high6 Ų627.5 Ų27.54%0.04213%0.131CC..Hα-helixtrans-58.5-40.6176.1-63.70000111.9Q129 L130 E136 A137 D174Q129-S133 PolarHBondContact O-N 2.62Å; Q129-S133 VanDerWaalsContact O-N 3.12Å; Q129-S133 PolarHBondContact O-OG 2.75Å; L130-S133 PolarHBondContact O-N 2.8Å; S133-E136 PolarHBondContact O-N 2.83Å; S133-A137 WeakPolarHBondContact O-CB 3.16Å; S133-A137 PolarHBondContact O-N 3.33Å; S133-A137 VanDerWaalsContact O-N 3.07Å; S133-D174 WeakPolarHBondContact CB-O 3.31Å; S133-D174 PolarHBondContact OG-O 3.06Å
134F95.4Very high94Very high0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-61.9-43.5175.2-171.7-75.5000111.9M59 I63 I87 L90 F91 L130 M131 K132 A137 A138 F464M59-F134 HydrophobicContact CE-CD1 3.56Å; M59-F134 HydrophobicContact CE-CE1 4.23Å; M59-F134 HydrophobicContact SD-CD1 4.2Å; M59-F134 HydrophobicContact SD-CE1 4.35Å; I63-F134 HydrophobicContact CD1-CE1 4.21Å; I87-F134 HydrophobicContact CG2-CE1 4.12Å; I87-F134 HydrophobicContact CG2-CE2 4.46Å; I87-F134 HydrophobicContact CG2-CZ 3.56Å; I87-F134 WeakPolarHBondContact O-CZ 3.43Å; L90-F134 HydrophobicContact CB-CE2 3.94Å; L90-F134 HydrophobicContact CD2-CD2 4.07Å; L90-F134 HydrophobicContact CD2-CE2 3.66Å; L90-F134 HydrophobicContact CG-CD2 4.26Å; L90-F134 HydrophobicContact CG-CE2 3.7Å; F91-F134 HydrophobicContact CB-CE1 3.86Å; F91-F134 HydrophobicContact CB-CE2 4.43Å; F91-F134 HydrophobicContact CB-CZ 3.63Å; F91-F134 HydrophobicContact CD2-CE1 4.15Å; F91-F134 HydrophobicContact CG-CE1 4.41Å; L130-F134 WeakPolarHBondContact O-CB 3.4Å; L130-F134 PolarHBondContact O-N 2.99Å; M131-F134 PolarHBondContact O-N 3.28Å; K132-F134 VanDerWaalsContact C-N 3.26Å; K132-F134 PolarHBondContact O-N 3.25Å; F134-A137 PolarHBondContact O-N 3.2Å; F134-A138 HydrophobicContact CD1-CB 4.35Å; F134-A138 HydrophobicContact CE1-CB 4.24Å; F134-A138 VanDerWaalsContact O-CB 3.25Å; F134-A138 WeakPolarHBondContact O-CB 3.44Å; F134-A138 PolarHBondContact O-N 2.88Å; F134-F464 HydrophobicContact CB-CZ 3.98Å; F134-F464 HydrophobicContact CD2-CE2 4.07Å; F134-F464 AromaticContact CD2-CZ 3.9Å; F134-F464 HydrophobicContact CD2-CZ 3.9Å; F134-F464 HydrophobicContact CG-CZ 4.36Å
135Y96.6Very high93.8Very high29 Ų2929.3 Ų29.311%0.11414%0.141CC..Hα-helixtrans-61.3-47.2177.2167.4-94000112V55 R58 M59 P62 M131 K132 A137 A138 D139V55-Y135 HydrophobicContact CG1-CG 4.16Å; R58-Y135 HydrophobicContact CB-CD2 4.22Å; R58-Y135 HydrophobicContact CB-CE2 3.49Å; R58-Y135 VanDerWaalsContact CB-CE2 3.49Å; M59-Y135 HydrophobicContact CB-CD2 4.47Å; M59-Y135 HydrophobicContact CE-CD2 4.33Å; M59-Y135 HydrophobicContact CE-CG 4.44Å; M59-Y135 HydrophobicContact SD-CD2 4.23Å; P62-Y135 HydrophobicContact CG-CE2 4.26Å; M131-Y135 WeakPolarHBondContact O-CB 3.35Å; M131-Y135 PolarHBondContact O-N 3.42Å; K132-Y135 WeakPolarHBondContact O-CB 3.45Å; K132-Y135 PolarHBondContact O-N 3.37Å; K132-Y135 VanDerWaalsContact O-N 3.12Å; Y135-A137 VanDerWaalsContact C-N 3.27Å; Y135-A137 PolarHBondContact O-N 2.84Å; Y135-A138 PolarHBondContact O-N 3.11Å; Y135-D139 HydrophobicContact CE1-CB 4.45Å; Y135-D139 VanDerWaalsContact O-CB 3.26Å; Y135-D139 WeakPolarHBondContact O-CB 3.28Å; Y135-D139 PolarHBondContact O-N 3.2Å
136E95.4Very high93.6Very high71 Ų7133.7 Ų33.733%0.33216%0.16SC..Hα-helixtrans-61-40.5179.6-68.1172.9-177.500111.1K132 S133 L140 L173K132-E136 WeakPolarHBondContact CE-OE1 3.32Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 3Å; S133-E136 PolarHBondContact O-N 2.83Å; E136-L140 WeakPolarHBondContact O-CB 3.46Å; E136-L140 PolarHBondContact O-N 3.5Å; E136-L140 VanDerWaalsContact O-N 3.09Å; E136-L173 HydrophobicContact CB-CD2 3.67Å
137A94.2Very high93.4Very high1 Ų133.3 Ų33.31%0.00816%0.158CC..Hα-helixtrans-66.7-45.7174.900000112.3S133 F134 Y135 L140 V141 L173 L460 L463S133-A137 WeakPolarHBondContact O-CB 3.16Å; S133-A137 PolarHBondContact O-N 3.33Å; S133-A137 VanDerWaalsContact O-N 3.07Å; F134-A137 PolarHBondContact O-N 3.2Å; Y135-A137 VanDerWaalsContact C-N 3.27Å; Y135-A137 PolarHBondContact O-N 2.84Å; A137-L140 WeakPolarHBondContact O-CB 3.46Å; A137-L140 PolarHBondContact O-N 2.95Å; A137-V141 PolarHBondContact O-N 3.06Å; A137-V141 VanDerWaalsContact O-N 3.12Å; A137-L173 HydrophobicContact CB-CD1 3.77Å; A137-L460 VanDerWaalsContact C-CD1 3.42Å; A137-L460 HydrophobicContact CB-CD1 3.47Å; A137-L460 VanDerWaalsContact CB-CD1 3.47Å; A137-L460 HydrophobicContact CB-CD2 4.25Å; A137-L460 HydrophobicContact CB-CG 3.75Å; A137-L460 WeakPolarHBondContact O-CD1 3.4Å; A137-L463 HydrophobicContact CB-CD1 3.5Å; A137-L463 VanDerWaalsContact CB-CD1 3.5Å
138A95Very high92.9Very high0 Ų033.5 Ų33.50%016%0.162CC..Hα-helixtrans-61.6-44.9178.300000111.8P62 F66 F134 Y135 L140 V141 V142P62-A138 HydrophobicContact CB-CB 4.13Å; F66-A138 HydrophobicContact CE2-CB 3.67Å; F66-A138 HydrophobicContact CZ-CB 3.99Å; F66-A138 WeakPolarHBondContact CZ-O 3.47Å; F134-A138 HydrophobicContact CD1-CB 4.35Å; F134-A138 HydrophobicContact CE1-CB 4.24Å; F134-A138 VanDerWaalsContact O-CB 3.25Å; F134-A138 WeakPolarHBondContact O-CB 3.44Å; F134-A138 PolarHBondContact O-N 2.88Å; Y135-A138 PolarHBondContact O-N 3.11Å; A138-L140 VanDerWaalsContact C-N 3.3Å; A138-L140 PolarHBondContact O-N 2.65Å; A138-V141 PolarHBondContact O-N 2.69Å; A138-V142 WeakPolarHBondContact O-CG2 3.47Å; A138-V142 PolarHBondContact O-N 2.85Å
139D94.9Very high92.2Very high32 Ų3236.6 Ų36.617%0.17118%0.18CC..Hα-helixtrans-62-38.3176.8-176.654.6000111.5Y135 V142 K143Y135-D139 HydrophobicContact CE1-CB 4.45Å; Y135-D139 VanDerWaalsContact O-CB 3.26Å; Y135-D139 WeakPolarHBondContact O-CB 3.28Å; Y135-D139 PolarHBondContact O-N 3.2Å; D139-V142 PolarHBondContact O-N 2.98Å; D139-K143 WeakPolarHBondContact O-CB 3.42Å; D139-K143 VanDerWaalsContact O-CG 3.3Å; D139-K143 WeakPolarHBondContact O-CG 3.5Å; D139-K143 PolarHBondContact O-N 2.91Å; D139-K143 WeakPolarHBondContact OD1-CE 3.39Å; D139-K143 IonicContact OD1-NZ 3.65Å; D139-K143 WeakPolarHBondContact OD2-CE 3.1Å; D139-K143 IonicContact OD2-NZ 3.94Å; D139-K143 PolarHBondContact OD2-NZ 2.83Å
140L93.9Very high91.6Very high25 Ų2540 Ų4013%0.13120%0.201CC..Hα-helixtrans-61.3-44.1173.6-17765.8000112.1E136 A137 A138 N144 V166 H169 F170 L173E136-L140 WeakPolarHBondContact O-CB 3.46Å; E136-L140 PolarHBondContact O-N 3.5Å; E136-L140 VanDerWaalsContact O-N 3.09Å; A137-L140 WeakPolarHBondContact O-CB 3.46Å; A137-L140 PolarHBondContact O-N 2.95Å; A138-L140 VanDerWaalsContact C-N 3.3Å; A138-L140 PolarHBondContact O-N 2.65Å; L140-N144 PolarHBondContact O-N 2.69Å; L140-N144 PolarHBondContact O-ND2 3.46Å; L140-V166 HydrophobicContact CD1-CG1 4.22Å; L140-V166 HydrophobicContact CD2-CG1 4.25Å; L140-V166 HydrophobicContact CG-CG1 4.09Å; L140-H169 HydrophobicContact CD1-CB 3.87Å; L140-H169 HydrophobicContact CD2-CB 4.14Å; L140-F170 HydrophobicContact CD2-CB 3.8Å; L140-L173 HydrophobicContact CD2-CD1 4.36Å
141V93.3Very high91Very high25 Ų2542.6 Ų42.615%0.15222%0.219CC..Hα-helixtrans-65-46.1177.3177.80000110.7F66 F84 A137 A138 K143 N144 I145 L460F66-V141 HydrophobicContact CE1-CB 4.01Å; F66-V141 HydrophobicContact CE1-CG1 3.68Å; F66-V141 HydrophobicContact CZ-CB 3.97Å; F66-V141 HydrophobicContact CZ-CG1 4.12Å; F84-V141 HydrophobicContact CE1-CG1 4.08Å; A137-V141 PolarHBondContact O-N 3.06Å; A137-V141 VanDerWaalsContact O-N 3.12Å; A138-V141 PolarHBondContact O-N 2.69Å; V141-K143 PolarHBondContact O-N 3.25Å; V141-N144 CarbonylContact O-C 3.58Å; V141-N144 PolarHBondContact O-N 3.22Å; V141-N144 VanDerWaalsContact O-N 3.16Å; V141-I145 PolarHBondContact O-N 2.71Å; V141-L460 HydrophobicContact CG2-CD1 3.62Å
142V93.2Very high90.7Very high16 Ų1647.1 Ų47.110%0.09724%0.24CC..Hα-helixtrans-61.3-44.3-179.6169.40000112P62 R65 F66 A138 D139 N144 I145P62-V142 HydrophobicContact CB-CG2 3.93Å; R65-V142 HydrophobicContact CB-CG1 4.47Å; R65-V142 HydrophobicContact CB-CG2 4.31Å; R65-V142 HydrophobicContact CG-CG1 4.06Å; R65-V142 HydrophobicContact CG-CG2 4.33Å; F66-V142 HydrophobicContact CD1-CG2 4.05Å; F66-V142 HydrophobicContact CE1-CG2 3.41Å; F66-V142 VanDerWaalsContact CE1-CG2 3.41Å; F66-V142 HydrophobicContact CE2-CG2 4.37Å; F66-V142 HydrophobicContact CZ-CG2 3.61Å; A138-V142 WeakPolarHBondContact O-CG2 3.47Å; A138-V142 PolarHBondContact O-N 2.85Å; D139-V142 PolarHBondContact O-N 2.98Å; V142-N144 PolarHBondContact O-N 2.79Å; V142-I145 VanDerWaalsContact O-CG2 3.29Å; V142-I145 WeakPolarHBondContact O-CG2 3.29Å; V142-I145 PolarHBondContact O-N 3.35Å
143K93.1Very high90.6Very high126 Ų12643.4 Ų43.455%0.54822%0.224SC..Hα-helixtrans-61.8-28.9178.3-76.8170.3175.11690112.8D139 V141 H146D139-K143 WeakPolarHBondContact O-CB 3.42Å; D139-K143 VanDerWaalsContact O-CG 3.3Å; D139-K143 WeakPolarHBondContact O-CG 3.5Å; D139-K143 PolarHBondContact O-N 2.91Å; D139-K143 WeakPolarHBondContact OD1-CE 3.39Å; D139-K143 IonicContact OD1-NZ 3.65Å; D139-K143 WeakPolarHBondContact OD2-CE 3.1Å; D139-K143 IonicContact OD2-NZ 3.94Å; D139-K143 PolarHBondContact OD2-NZ 2.83Å; V141-K143 PolarHBondContact O-N 3.25Å; K143-H146 PolarHBondContact O-CE1 2.88Å; K143-H146 PolarHBondContact O-ND1 2.85Å
144N91.5Very high90.6Very high43 Ų4344 Ų4423%0.2323%0.226CC..THydrogen-bonded Turntrans-109.710.5-175.1-64.2-74.4000113.8L140 V141 V142 H146 L147 V166L140-N144 PolarHBondContact O-N 2.69Å; L140-N144 PolarHBondContact O-ND2 3.46Å; V141-N144 CarbonylContact O-C 3.58Å; V141-N144 PolarHBondContact O-N 3.22Å; V141-N144 VanDerWaalsContact O-N 3.16Å; V142-N144 PolarHBondContact O-N 2.79Å; N144-H146 PolarHBondContact O-N 3.43Å; N144-H146 VanDerWaalsContact O-N 3.15Å; N144-L147 HydrophobicContact CB-CD1 4.02Å; N144-L147 HydrophobicContact CB-CG 4.25Å; N144-L147 VanDerWaalsContact O-CB 3.29Å; N144-L147 WeakPolarHBondContact O-CB 3.29Å; N144-L147 WeakPolarHBondContact O-CG 3.22Å; N144-L147 PolarHBondContact O-N 3.19Å; N144-V166 HydrophobicContact CB-CG1 4.37Å; N144-V166 HydrophobicContact CB-CG2 3.75Å; N144-V166 VanDerWaalsContact OD1-CG2 3.25Å; N144-V166 WeakPolarHBondContact OD1-CG2 3.34Å
145I88.5Confident90.4Very high22 Ų2244.9 Ų44.911%0.11323%0.232CC..G310 helixtrans-59.8-29.9179.7-161168.7000112.2E69 F84 V141 V142 L147 T148E69-I145 HydrophobicContact CB-CD1 3.98Å; E69-I145 HydrophobicContact CG-CD1 3.67Å; F84-I145 HydrophobicContact CE1-CD1 3.89Å; F84-I145 HydrophobicContact CE1-CG1 4.35Å; F84-I145 HydrophobicContact CZ-CD1 4.08Å; F84-I145 HydrophobicContact CZ-CG1 4.21Å; V141-I145 PolarHBondContact O-N 2.71Å; V142-I145 VanDerWaalsContact O-CG2 3.29Å; V142-I145 WeakPolarHBondContact O-CG2 3.29Å; V142-I145 PolarHBondContact O-N 3.35Å; I145-L147 PolarHBondContact O-N 2.79Å; I145-L147 VanDerWaalsContact O-N 3.15Å; I145-T148 PolarHBondContact O-N 3.49Å; I145-T148 PolarHBondContact O-OG1 3.08Å
146H87Confident90.1Very high111 Ų11145.7 Ų45.751%0.51424%0.241SC..G310 helixtrans-65.8-10.9176.469.5-84.9000114.2K143 N144K143-H146 PolarHBondContact O-CE1 2.88Å; K143-H146 PolarHBondContact O-ND1 2.85Å; N144-H146 PolarHBondContact O-N 3.43Å; N144-H146 VanDerWaalsContact O-N 3.15Å
147L87.2Confident89.6Confident3 Ų346 Ų462%0.01624%0.244CC..G310 helixtrans-71.6-23.4171.8-61.8-173.6000112N144 I145 P155 P156 E162 V166N144-L147 HydrophobicContact CB-CD1 4.02Å; N144-L147 HydrophobicContact CB-CG 4.25Å; N144-L147 VanDerWaalsContact O-CB 3.29Å; N144-L147 WeakPolarHBondContact O-CB 3.29Å; N144-L147 WeakPolarHBondContact O-CG 3.22Å; N144-L147 PolarHBondContact O-N 3.19Å; I145-L147 PolarHBondContact O-N 2.79Å; I145-L147 VanDerWaalsContact O-N 3.15Å; L147-P155 HydrophobicContact CB-CB 4.27Å; L147-P155 HydrophobicContact CB-CG 4.09Å; L147-P156 WeakPolarHBondContact O-CD 3.36Å; L147-E162 HydrophobicContact CD1-CB 4.25Å; L147-E162 HydrophobicContact CD2-CB 3.83Å; L147-E162 VanDerWaalsContact CD2-OE2 3.32Å; L147-E162 WeakPolarHBondContact CD2-OE2 3.25Å; L147-V166 HydrophobicContact CD1-CG2 3.66Å
148T84.2Confident89.3Confident32 Ų3251 Ų5120%0.19628%0.28CS..SBendtrans-80.4139.2171.663.30000110.3I145 E152I145-T148 PolarHBondContact O-N 3.49Å; I145-T148 PolarHBondContact O-OG1 3.08Å; T148-E152 WeakPolarHBondContact CB-O 3.27Å; T148-E152 WeakPolarHBondContact CG2-O 3.5Å
149V80.4Confident88.9Confident67 Ų6754.8 Ų54.841%0.40629%0.294SS..  trans-121.2144.5-177.8-1740000108.1S151 E152 P156V149-S151 PolarHBondContact O-N 3.44Å; V149-E152 VanDerWaalsContact O-CB 3.25Å; V149-E152 WeakPolarHBondContact O-CB 3.28Å; V149-E152 WeakPolarHBondContact O-CG 3.3Å; V149-E152 PolarHBondContact O-N 3.11Å; V149-P156 HydrophobicContact CG2-CG 4.28Å
150D79.9Confident88.4Confident148 Ų14855.2 Ų55.279%0.79129%0.293SS*.THydrogen-bonded Turntrans51.431.7170.5-59.8-30.1000117E152D150-E152 VanDerWaalsContact C-N 3.3Å
151S81.2Confident88Confident55 Ų5561.5 Ų61.539%0.38532%0.322SS..THydrogen-bonded Turntrans70.520.9-177-37.80000115K72 F73 V149K72-S151 WeakPolarHBondContact O-CB 2.86Å; F73-S151 VanDerWaalsContact CD1-O 3.24Å; F73-S151 WeakPolarHBondContact CD1-O 3.23Å; F73-S151 VanDerWaalsContact CE1-C 3.46Å; V149-S151 PolarHBondContact O-N 3.44Å
152E90.5Very high87.8Confident95 Ų9563.7 Ų63.744%0.44433%0.33SS..  trans-77.1137.8169.7-68-61.5159.400111.9F73 T148 V149 D150 F154F73-E152 VanDerWaalsContact CE1-O 3.31Å; F73-E152 WeakPolarHBondContact CE1-O 3.38Å; T148-E152 WeakPolarHBondContact CB-O 3.27Å; T148-E152 WeakPolarHBondContact CG2-O 3.5Å; V149-E152 VanDerWaalsContact O-CB 3.25Å; V149-E152 WeakPolarHBondContact O-CB 3.28Å; V149-E152 WeakPolarHBondContact O-CG 3.3Å; V149-E152 PolarHBondContact O-N 3.11Å; D150-E152 VanDerWaalsContact C-N 3.3Å; E152-F154 VanDerWaalsContact C-N 3.31Å; E152-F154 PolarHBondContact O-N 3.29Å
153L94Very high87.7Confident4 Ų463 Ų632%0.02133%0.327CS..SBendtrans-78.7-15.1-176.6-77.5165.3000114.1F73 N82 F84 D712 V715F73-L153 HydrophobicContact CB-CD2 3.72Å; F73-L153 HydrophobicContact CB-CG 4.36Å; F73-L153 HydrophobicContact CD1-CD2 3.77Å; F73-L153 HydrophobicContact CD1-CG 4.11Å; F73-L153 HydrophobicContact CG-CD2 3.97Å; N82-L153 HydrophobicContact CB-CD1 4.37Å; N82-L153 HydrophobicContact CB-CD2 4.1Å; F84-L153 HydrophobicContact CD2-CD2 4.43Å; F84-L153 HydrophobicContact CE2-CD2 4.15Å; L153-D712 HydrophobicContact CB-CB 4.04Å; L153-D712 HydrophobicContact CD1-CB 3.98Å; L153-D712 HydrophobicContact CG-CB 4.42Å; L153-V715 HydrophobicContact CD1-CB 3.81Å; L153-V715 HydrophobicContact CD1-CG1 3.6Å
154F93.7Very high87.4Confident18 Ų1859.6 Ų59.68%0.07931%0.313CS..SBendtrans-120.3145.1179.8-62.9-76.5000110.5E152 L450 V454 L687 D712 D713 T716E152-F154 VanDerWaalsContact C-N 3.31Å; E152-F154 PolarHBondContact O-N 3.29Å; F154-L450 HydrophobicContact CB-CD2 4.38Å; F154-L450 HydrophobicContact CD1-CD2 3.65Å; F154-L450 HydrophobicContact CD2-CD2 4.04Å; F154-L450 HydrophobicContact CE1-CD2 3.82Å; F154-L450 HydrophobicContact CE2-CD2 4.21Å; F154-L450 HydrophobicContact CG-CD2 3.75Å; F154-L450 HydrophobicContact CZ-CD2 4.1Å; F154-V454 HydrophobicContact CD1-CG2 3.7Å; F154-V454 HydrophobicContact CE1-CG2 4.22Å; F154-L687 HydrophobicContact CD2-CD2 3.94Å; F154-L687 HydrophobicContact CE2-CD2 3.85Å; F154-D712 HydrophobicContact CE1-CB 4.43Å; F154-D712 HydrophobicContact CE2-CB 4.07Å; F154-D712 HydrophobicContact CZ-CB 3.73Å; F154-D713 WeakPolarHBondContact CZ-OD1 3.25Å; F154-T716 HydrophobicContact CD2-CG2 4.45Å
155P91.8Very high87.2Confident19 Ų1962 Ų6212%0.12333%0.325CS..  trans-59.9144.1169.8-21.131.6000111.1L147 A163 P455L147-P155 HydrophobicContact CB-CB 4.27Å; L147-P155 HydrophobicContact CB-CG 4.09Å; P155-A163 HydrophobicContact CB-CB 4.35Å; P155-A163 HydrophobicContact CG-CB 4.21Å; P155-P455 WeakPolarHBondContact CD-O 3.39Å; P155-P455 HydrophobicContact CG-CG 3.92Å
156P89.4Confident87.4Confident47 Ų4761.4 Ų61.431%0.30532%0.323SS..  trans-64.7153.9174.928.8-35.1000110.8L147 V149 S158 R159L147-P156 WeakPolarHBondContact O-CD 3.36Å; V149-P156 HydrophobicContact CG2-CG 4.28Å; P156-S158 PolarHBondContact O-N 2.89Å; P156-R159 HydrophobicContact CG-CB 4.35Å; P156-R159 HydrophobicContact CG-CG 4.07Å; P156-R159 PolarHBondContact O-N 3.43Å
157L85.2Confident87.5Confident76 Ų7656.4 Ų56.440%0.39830%0.3SS..G310 helixtrans-55.8-27.4178.6-66.9176.1000113.1R159 R160 E680 L688L157-R159 PolarHBondContact O-N 2.96Å; L157-R160 WeakPolarHBondContact O-CB 3.31Å; L157-R160 PolarHBondContact O-N 3.06Å; L157-E680 HydrophobicContact CD1-CG 4.34Å; L157-L688 HydrophobicContact CD1-CD2 4.4Å
158S86.6Confident87.5Confident108 Ų10857.5 Ų57.576%0.75531%0.308SS*.G310 helixtrans-64.6-20.7175.257.40000114.2P156P156-S158 PolarHBondContact O-N 2.89Å
159R88.4Confident87.9Confident78 Ų7860.1 Ų60.129%0.29432%0.317SS..G310 helixtrans-107.625.3179.1-61.2-161.5124-124.8-20.8112.9P156 L157 E161 E162 A163P156-R159 HydrophobicContact CG-CB 4.35Å; P156-R159 HydrophobicContact CG-CG 4.07Å; P156-R159 PolarHBondContact O-N 3.43Å; L157-R159 PolarHBondContact O-N 2.96Å; R159-E161 VanDerWaalsContact C-N 3.35Å; R159-E161 PolarHBondContact O-N 2.68Å; R159-E162 IonicContact CZ-OE1 2.68Å; R159-E162 IonicContact CZ-OE2 2.71Å; R159-E162 IonicContact NE-OE1 3.82Å; R159-E162 PolarHBondContact NE-OE1 2.96Å; R159-E162 IonicContact NE-OE2 3.24Å; R159-E162 IonicContact NH1-OE1 3.53Å; R159-E162 PolarHBondContact NH1-OE1 3.45Å; R159-E162 IonicContact NH1-OE2 3.14Å; R159-E162 PolarHBondContact NH1-OE2 3.47Å; R159-E162 IonicContact NH2-OE1 3.92Å; R159-E162 PolarHBondContact NH2-OE1 3.01Å; R159-E162 IonicContact NH2-OE2 3.41Å; R159-E162 PolarHBondContact NH2-OE2 3.2Å; R159-E162 PolarHBondContact O-N 3.09Å; R159-A163 PolarHBondContact O-N 3.44Å
160R84Confident88.4Confident41 Ų4157.5 Ų57.516%0.15530%0.301CS..Hα-helixtrans-58.1-40.1-176.6-169.1175.7-157.4151.519.4114L157 E162 A163 E164 R678L157-R160 WeakPolarHBondContact O-CB 3.31Å; L157-R160 PolarHBondContact O-N 3.06Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E162 PolarHBondContact O-N 2.72Å; R160-A163 WeakPolarHBondContact O-CB 3.48Å; R160-A163 PolarHBondContact O-N 3.4Å; R160-E164 WeakPolarHBondContact O-CG 3.44Å; R160-E164 PolarHBondContact O-N 3.14Å; R160-R678 PolarHBondContact NH1-O 2.97Å
161E85.6Confident88.9Confident158 Ų15851.7 Ų51.774%0.73827%0.269SS*.Hα-helixtrans-64.2-39.9178.8-66-174.4171.300112R159 E164 N165R159-E161 VanDerWaalsContact C-N 3.35Å; R159-E161 PolarHBondContact O-N 2.68Å; E161-E164 PolarHBondContact O-N 3.32Å; E161-N165 PolarHBondContact O-N 3.02Å
162E89.6Confident89.3Confident70 Ų7058.3 Ų58.333%0.32729%0.285SS..Hα-helixtrans-66.8-44.1176.2-64.4173.4-110.400110.7L147 R159 R160 E164 N165 V166L147-E162 HydrophobicContact CD1-CB 4.25Å; L147-E162 HydrophobicContact CD2-CB 3.83Å; L147-E162 VanDerWaalsContact CD2-OE2 3.32Å; L147-E162 WeakPolarHBondContact CD2-OE2 3.25Å; R159-E162 IonicContact CZ-OE1 2.68Å; R159-E162 IonicContact CZ-OE2 2.71Å; R159-E162 IonicContact NE-OE1 3.82Å; R159-E162 PolarHBondContact NE-OE1 2.96Å; R159-E162 IonicContact NE-OE2 3.24Å; R159-E162 IonicContact NH1-OE1 3.53Å; R159-E162 PolarHBondContact NH1-OE1 3.45Å; R159-E162 IonicContact NH1-OE2 3.14Å; R159-E162 PolarHBondContact NH1-OE2 3.47Å; R159-E162 IonicContact NH2-OE1 3.92Å; R159-E162 PolarHBondContact NH2-OE1 3.01Å; R159-E162 IonicContact NH2-OE2 3.41Å; R159-E162 PolarHBondContact NH2-OE2 3.2Å; R159-E162 PolarHBondContact O-N 3.09Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E162 PolarHBondContact O-N 2.72Å; E162-E164 VanDerWaalsContact C-N 3.35Å; E162-E164 PolarHBondContact O-N 3.07Å; E162-N165 WeakPolarHBondContact O-CB 3.07Å; E162-N165 PolarHBondContact O-N 3.03Å; E162-V166 WeakPolarHBondContact O-CG2 3.13Å; E162-V166 PolarHBondContact O-N 3.29Å
163A89.5Confident89.4Confident3 Ų355 Ų553%0.02527%0.27CS..Hα-helixtrans-56.7-45.1173.600000112.4P155 R159 R160 N165 V166 M167 P455P155-A163 HydrophobicContact CB-CB 4.35Å; P155-A163 HydrophobicContact CG-CB 4.21Å; R159-A163 PolarHBondContact O-N 3.44Å; R160-A163 WeakPolarHBondContact O-CB 3.48Å; R160-A163 PolarHBondContact O-N 3.4Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 2.84Å; A163-V166 WeakPolarHBondContact O-CB 3.26Å; A163-V166 PolarHBondContact O-N 3.4Å; A163-M167 WeakPolarHBondContact O-CG 3.4Å; A163-M167 PolarHBondContact O-N 2.88Å; A163-P455 HydrophobicContact CB-CG 3.86Å
164E86.5Confident89.3Confident53 Ų5358.2 Ų58.225%0.24829%0.288CS..Hα-helixtrans-62.9-38.8176.6-75.8176.4-177.500112.2R160 E161 E162 M167 S168 R678R160-E164 WeakPolarHBondContact O-CG 3.44Å; R160-E164 PolarHBondContact O-N 3.14Å; E161-E164 PolarHBondContact O-N 3.32Å; E162-E164 VanDerWaalsContact C-N 3.35Å; E162-E164 PolarHBondContact O-N 3.07Å; E164-M167 PolarHBondContact O-N 2.89Å; E164-S168 PolarHBondContact O-N 3.1Å; E164-R678 VanDerWaalsContact CD-NH2 3.26Å; E164-R678 IonicContact OE1-CZ 3.33Å; E164-R678 IonicContact OE1-NE 3.55Å; E164-R678 PolarHBondContact OE1-NE 2.9Å; E164-R678 IonicContact OE1-NH2 3.22Å; E164-R678 PolarHBondContact OE1-NH2 2.71Å; E164-R678 IonicContact OE2-CZ 3.53Å; E164-R678 IonicContact OE2-NH2 2.69Å; E164-R678 PolarHBondContact OE2-NH2 2.7Å
165N89.1Confident89.1Confident93 Ų9357.7 Ų57.750%0.49729%0.285SS..Hα-helixtrans-62.6-43175.7-17224.3000111.3E161 E162 A163 M167 S168 H169E161-N165 PolarHBondContact O-N 3.02Å; E162-N165 WeakPolarHBondContact O-CB 3.07Å; E162-N165 PolarHBondContact O-N 3.03Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 2.84Å; N165-M167 VanDerWaalsContact C-N 3.34Å; N165-M167 PolarHBondContact O-N 3.32Å; N165-S168 PolarHBondContact O-N 3.04Å; N165-S168 PolarHBondContact O-OG 2.93Å; N165-H169 PolarHBondContact O-N 3.41Å; N165-H169 PolarHBondContact O-ND1 3.02Å; N165-H169 PolarHBondContact OD1-CE1 3.39Å; N165-H169 VanDerWaalsContact OD1-CE1 3.24Å
166V91.4Very high89.1Confident10 Ų1061 Ų616%0.06130%0.298CS..Hα-helixtrans-59.4-46.61741780000110.9L140 N144 L147 E162 A163 S168 H169 F170 P455L140-V166 HydrophobicContact CD1-CG1 4.22Å; L140-V166 HydrophobicContact CD2-CG1 4.25Å; L140-V166 HydrophobicContact CG-CG1 4.09Å; N144-V166 HydrophobicContact CB-CG1 4.37Å; N144-V166 HydrophobicContact CB-CG2 3.75Å; N144-V166 VanDerWaalsContact OD1-CG2 3.25Å; N144-V166 WeakPolarHBondContact OD1-CG2 3.34Å; L147-V166 HydrophobicContact CD1-CG2 3.66Å; E162-V166 WeakPolarHBondContact O-CG2 3.13Å; E162-V166 PolarHBondContact O-N 3.29Å; A163-V166 WeakPolarHBondContact O-CB 3.26Å; A163-V166 PolarHBondContact O-N 3.4Å; V166-S168 VanDerWaalsContact C-N 3.28Å; V166-S168 PolarHBondContact O-N 3.05Å; V166-H169 WeakPolarHBondContact O-CB 3.33Å; V166-H169 PolarHBondContact O-N 3.14Å; V166-H169 VanDerWaalsContact O-N 3.09Å; V166-F170 PolarHBondContact O-N 3.17Å; V166-P455 HydrophobicContact CB-CB 4.41Å; V166-P455 HydrophobicContact CB-CG 4.27Å; V166-P455 HydrophobicContact CG1-CB 3.95Å; V166-P455 HydrophobicContact CG1-CG 4.33Å
167M89.2Confident89.1Confident6 Ų659.1 Ų59.13%0.0329%0.286CS..Hα-helixtrans-63-35.3178.9-64.2-48.4-69.300112.3A163 E164 N165 H169 F170 E171 F453 P455A163-M167 WeakPolarHBondContact O-CG 3.4Å; A163-M167 PolarHBondContact O-N 2.88Å; E164-M167 PolarHBondContact O-N 2.89Å; N165-M167 VanDerWaalsContact C-N 3.34Å; N165-M167 PolarHBondContact O-N 3.32Å; M167-H169 PolarHBondContact O-N 3.28Å; M167-F170 HydrophobicContact CE-CB 4.49Å; M167-F170 HydrophobicContact CE-CD1 3.69Å; M167-F170 HydrophobicContact CE-CE1 4.19Å; M167-F170 HydrophobicContact CE-CG 4.19Å; M167-F170 WeakPolarHBondContact O-CB 3.3Å; M167-F170 PolarHBondContact O-N 3.47Å; M167-F170 VanDerWaalsContact O-N 3.17Å; M167-F170 HydrophobicContact SD-CB 4.49Å; M167-E171 WeakPolarHBondContact O-CG 2.95Å; M167-E171 PolarHBondContact O-N 3.05Å; M167-F453 HydrophobicContact CE-CD1 3.4Å; M167-F453 HydrophobicContact CE-CE1 3.01Å; M167-F453 HydrophobicContact CE-CE2 4.36Å; M167-F453 HydrophobicContact CE-CG 4.2Å; M167-F453 HydrophobicContact CE-CZ 3.52Å; M167-P455 HydrophobicContact CG-CB 4.41Å; M167-P455 HydrophobicContact CG-CG 4.45Å; M167-P455 WeakPolarHBondContact SD-CA 3.23Å; M167-P455 HydrophobicContact SD-CB 3.58Å; M167-P455 VanDerWaalsContact SD-CB 3.58Å; M167-P455 HydrophobicContact SD-CG 4.25Å
168S88.2Confident89.4Confident26 Ų2655.7 Ų55.718%0.18227%0.269CS..Hα-helixtrans-63.3-28.9175.482.40000113.9E164 N165 V166 R172E164-S168 PolarHBondContact O-N 3.1Å; N165-S168 PolarHBondContact O-N 3.04Å; N165-S168 PolarHBondContact O-OG 2.93Å; V166-S168 VanDerWaalsContact C-N 3.28Å; V166-S168 PolarHBondContact O-N 3.05Å; S168-R172 WeakPolarHBondContact O-CG 3.27Å; S168-R172 PolarHBondContact O-NE 3.12Å
169H90.9Very high89.6Confident87 Ų8750.6 Ų50.640%0.40323%0.233SC..Hα-helixtrans-78.4-42.1172.6-68.885.6000110.9L140 N165 V166 M167 E171 R172L140-H169 HydrophobicContact CD1-CB 3.87Å; L140-H169 HydrophobicContact CD2-CB 4.14Å; N165-H169 PolarHBondContact O-N 3.41Å; N165-H169 PolarHBondContact O-ND1 3.02Å; N165-H169 PolarHBondContact OD1-CE1 3.39Å; N165-H169 VanDerWaalsContact OD1-CE1 3.24Å; V166-H169 WeakPolarHBondContact O-CB 3.33Å; V166-H169 PolarHBondContact O-N 3.14Å; V166-H169 VanDerWaalsContact O-N 3.09Å; M167-H169 PolarHBondContact O-N 3.28Å; H169-E171 VanDerWaalsContact C-N 3.3Å; H169-E171 PolarHBondContact O-N 3.47Å; H169-R172 PolarHBondContact O-N 3.34Å; H169-R172 VanDerWaalsContact O-N 3.12Å
170F92Very high89.6Confident12 Ų1247 Ų475%0.05322%0.221CC..Hα-helixtrans-55.6-43.8176.6174.7-96.6000112.3L140 V166 M167 R172 L173 F453 S462 L463 W470L140-F170 HydrophobicContact CD2-CB 3.8Å; V166-F170 PolarHBondContact O-N 3.17Å; M167-F170 HydrophobicContact CE-CB 4.49Å; M167-F170 HydrophobicContact CE-CD1 3.69Å; M167-F170 HydrophobicContact CE-CE1 4.19Å; M167-F170 HydrophobicContact CE-CG 4.19Å; M167-F170 WeakPolarHBondContact O-CB 3.3Å; M167-F170 PolarHBondContact O-N 3.47Å; M167-F170 VanDerWaalsContact O-N 3.17Å; M167-F170 HydrophobicContact SD-CB 4.49Å; F170-R172 PolarHBondContact O-N 3.4Å; F170-R172 VanDerWaalsContact O-N 3.11Å; F170-L173 HydrophobicContact CD2-CD1 4Å; F170-L173 WeakPolarHBondContact O-CB 3.03Å; F170-L173 WeakPolarHBondContact O-CG 3.2Å; F170-L173 PolarHBondContact O-N 2.92Å; F170-L173 VanDerWaalsContact O-N 3.13Å; F170-F453 HydrophobicContact CD1-CE1 4.35Å; F170-F453 HydrophobicContact CE1-CE1 4.23Å; F170-F453 AromaticContact CE1-CZ 4Å; F170-F453 HydrophobicContact CE1-CZ 4Å; F170-S462 WeakPolarHBondContact CZ-OG 3.46Å; F170-L463 HydrophobicContact CD2-CD1 4.2Å; F170-L463 HydrophobicContact CD2-CD2 4.5Å; F170-L463 HydrophobicContact CD2-CG 4.4Å; F170-L463 HydrophobicContact CE1-CD2 4.26Å; F170-L463 HydrophobicContact CE2-CD1 3.54Å; F170-L463 HydrophobicContact CE2-CD2 3.82Å; F170-L463 HydrophobicContact CE2-CG 3.44Å; F170-L463 VanDerWaalsContact CE2-CG 3.44Å; F170-L463 HydrophobicContact CZ-CD1 4.19Å; F170-L463 HydrophobicContact CZ-CD2 3.69Å; F170-L463 HydrophobicContact CZ-CG 3.55Å; F170-W470 HydrophobicContact CE1-CB 3.88Å; F170-W470 AromaticContact CE1-CD1 3.83Å; F170-W470 HydrophobicContact CE1-CD2 4.5Å; F170-W470 AromaticContact CE1-CG 3.81Å; F170-W470 HydrophobicContact CE1-CG 3.81Å
171E89.2Confident89.8Confident26 Ų2648.5 Ų48.512%0.12123%0.227CC..THydrogen-bonded Turntrans-63.2-16.5180-69.8165.2-176.400113.8M167 H169 W470 K674M167-E171 WeakPolarHBondContact O-CG 2.95Å; M167-E171 PolarHBondContact O-N 3.05Å; H169-E171 VanDerWaalsContact C-N 3.3Å; H169-E171 PolarHBondContact O-N 3.47Å; E171-W470 HydrophobicContact CB-CH2 3.77Å; E171-W470 HydrophobicContact CB-CZ2 3.83Å; E171-W470 HydrophobicContact CB-CZ3 4.35Å; E171-W470 HydrophobicContact CG-CD2 4.43Å; E171-W470 HydrophobicContact CG-CE3 4.07Å; E171-W470 HydrophobicContact CG-CH2 3.58Å; E171-W470 HydrophobicContact CG-CZ2 3.95Å; E171-W470 HydrophobicContact CG-CZ3 3.65Å; E171-K674 VanDerWaalsContact OE1-CE 3.31Å; E171-K674 WeakPolarHBondContact OE1-CE 3.15Å; E171-K674 IonicContact OE1-NZ 2.78Å; E171-K674 PolarHBondContact OE1-NZ 3.13Å; E171-K674 IonicContact OE2-NZ 3.27Å; E171-K674 PolarHBondContact OE2-NZ 3.35Å
172R90.8Very high90Very high195 Ų19541.2 Ų41.274%0.73619%0.193SC*.THydrogen-bonded Turntrans-93.8-5.2179.5-61.8175.7-168.8175.63.8113.5S168 H169 F170S168-R172 WeakPolarHBondContact O-CG 3.27Å; S168-R172 PolarHBondContact O-NE 3.12Å; H169-R172 PolarHBondContact O-N 3.34Å; H169-R172 VanDerWaalsContact O-N 3.12Å; F170-R172 PolarHBondContact O-N 3.4Å; F170-R172 VanDerWaalsContact O-N 3.11Å
173L92.5Very high90.1Very high24 Ų2437.9 Ų37.913%0.12618%0.178CC..SBendtrans-70.4141-177.6-63.8174.1000111.1E136 A137 L140 F170 Q175 L463E136-L173 HydrophobicContact CB-CD2 3.67Å; A137-L173 HydrophobicContact CB-CD1 3.77Å; L140-L173 HydrophobicContact CD2-CD1 4.36Å; F170-L173 HydrophobicContact CD2-CD1 4Å; F170-L173 WeakPolarHBondContact O-CB 3.03Å; F170-L173 WeakPolarHBondContact O-CG 3.2Å; F170-L173 PolarHBondContact O-N 2.92Å; F170-L173 VanDerWaalsContact O-N 3.13Å; L173-Q175 PolarHBondContact O-N 2.98Å; L173-L463 HydrophobicContact CB-CD1 4.28Å; L173-L463 HydrophobicContact CB-CD2 4.12Å; L173-L463 HydrophobicContact CD1-CD1 3.7Å
174D90.7Very high90.1Very high73 Ų7337.8 Ų37.839%0.3918%0.177SC..  trans-74.9125.6-178.5-171.32.1000111.4S133 K176S133-D174 WeakPolarHBondContact CB-O 3.31Å; S133-D174 PolarHBondContact OG-O 3.06Å; D174-K176 VanDerWaalsContact OD1-CB 3.3Å; D174-K176 WeakPolarHBondContact OD1-CB 3.23Å; D174-K176 VanDerWaalsContact OD1-CG 3.24Å; D174-K176 WeakPolarHBondContact OD1-CG 3.22Å; D174-K176 PolarHBondContact OD1-N 3.27Å
175Q90.7Very high90.3Very high6 Ų636.3 Ų36.33%0.02817%0.17CC..  trans-110.32.5177.7-62.1169.9-76.300113.3L173 A177 A178 F179 I240 S462 L463L173-Q175 PolarHBondContact O-N 2.98Å; Q175-A177 VanDerWaalsContact C-N 3.33Å; Q175-A177 PolarHBondContact O-N 3.43Å; Q175-A178 WeakPolarHBondContact O-CB 3.14Å; Q175-A178 PolarHBondContact O-N 3.45Å; Q175-A178 VanDerWaalsContact O-N 3.07Å; Q175-F179 HydrophobicContact CB-CD2 4.03Å; Q175-F179 HydrophobicContact CB-CE2 3.56Å; Q175-F179 HydrophobicContact CG-CE2 4.3Å; Q175-F179 WeakPolarHBondContact O-CD2 3.41Å; Q175-F179 PolarHBondContact O-N 3.16Å; Q175-I240 HydrophobicContact CB-CD1 3.66Å; Q175-S462 PolarHBondContact NE2-O 2.83Å; Q175-L463 HydrophobicContact CG-CB 4.24Å; Q175-L463 HydrophobicContact CG-CD2 3.6Å; Q175-L463 PolarHBondContact NE2-O 3.06Å
176K90.5Very high90.4Very high89 Ų8932.1 Ų32.139%0.38715%0.147SC..THydrogen-bonded Turntrans-55.8-45.2-174.2-76.1176.4-178.7-174.10112.9D174 A178 F179 G180 S236 I240D174-K176 VanDerWaalsContact OD1-CB 3.3Å; D174-K176 WeakPolarHBondContact OD1-CB 3.23Å; D174-K176 VanDerWaalsContact OD1-CG 3.24Å; D174-K176 WeakPolarHBondContact OD1-CG 3.22Å; D174-K176 PolarHBondContact OD1-N 3.27Å; K176-A178 VanDerWaalsContact C-N 3.28Å; K176-A178 PolarHBondContact O-N 2.98Å; K176-F179 PolarHBondContact O-N 2.98Å; K176-G180 PolarHBondContact O-N 2.92Å; K176-S236 WeakPolarHBondContact O-CB 3.39Å; K176-S236 PolarHBondContact O-OG 3.44Å; K176-I240 HydrophobicContact CG-CG1 4.04Å
177A89.5Confident90.3Very high7 Ų732.3 Ų32.36%0.05815%0.147CC..THydrogen-bonded Turntrans-64.5-34.1-179.500000112.3Q129 L130 Q175 F179 G180Q129-A177 HydrophobicContact CB-CB 3.76Å; L130-A177 HydrophobicContact CB-CB 3.99Å; L130-A177 HydrophobicContact CD1-CB 4.08Å; Q175-A177 VanDerWaalsContact C-N 3.33Å; Q175-A177 PolarHBondContact O-N 3.43Å; A177-F179 PolarHBondContact O-N 3.39Å; A177-G180 PolarHBondContact O-N 3.42Å
178A91.8Very high89.9Confident5 Ų532.9 Ų32.94%0.04115%0.152CC..THydrogen-bonded Turntrans-67.6-35.4-177.600000112.8L130 Q175 K176 V183 L463 F464L130-A178 HydrophobicContact CD1-CB 3.76Å; Q175-A178 WeakPolarHBondContact O-CB 3.14Å; Q175-A178 PolarHBondContact O-N 3.45Å; Q175-A178 VanDerWaalsContact O-N 3.07Å; K176-A178 VanDerWaalsContact C-N 3.28Å; K176-A178 PolarHBondContact O-N 2.98Å; A178-V183 VanDerWaalsContact O-CA 3.25Å; A178-V183 WeakPolarHBondContact O-CA 3.22Å; A178-V183 WeakPolarHBondContact O-CB 3.4Å; A178-L463 WeakPolarHBondContact CB-O 3.25Å; A178-F464 HydrophobicContact CB-CD1 3.8Å; A178-F464 HydrophobicContact CB-CE1 4.47Å
179F91.6Very high89.7Confident0 Ų038.1 Ų38.10%017%0.171CC..THydrogen-bonded Turntrans-96.66.1176.4-52.2-57.8000113.5Q175 K176 A177 L199 L239 I240 F243 D465 P469Q175-F179 HydrophobicContact CB-CD2 4.03Å; Q175-F179 HydrophobicContact CB-CE2 3.56Å; Q175-F179 HydrophobicContact CG-CE2 4.3Å; Q175-F179 WeakPolarHBondContact O-CD2 3.41Å; Q175-F179 PolarHBondContact O-N 3.16Å; K176-F179 PolarHBondContact O-N 2.98Å; A177-F179 PolarHBondContact O-N 3.39Å; F179-L199 HydrophobicContact CB-CD1 4.25Å; F179-L199 HydrophobicContact CD1-CD1 3.97Å; F179-L239 HydrophobicContact CB-CD1 4.02Å; F179-I240 HydrophobicContact CD2-CD1 3.59Å; F179-I240 HydrophobicContact CD2-CG1 4.47Å; F179-I240 HydrophobicContact CE2-CD1 3.85Å; F179-F243 HydrophobicContact CD1-CE2 4.12Å; F179-F243 HydrophobicContact CD2-CD2 4.25Å; F179-F243 AromaticContact CD2-CE2 3.79Å; F179-F243 HydrophobicContact CD2-CE2 3.79Å; F179-F243 HydrophobicContact CE1-CE2 4.03Å; F179-F243 AromaticContact CE2-CD2 3.94Å; F179-F243 HydrophobicContact CE2-CD2 3.94Å; F179-F243 AromaticContact CE2-CE2 3.64Å; F179-F243 HydrophobicContact CE2-CE2 3.64Å; F179-F243 HydrophobicContact CG-CE2 4.02Å; F179-F243 HydrophobicContact CZ-CD2 4.36Å; F179-F243 AromaticContact CZ-CE2 3.8Å; F179-F243 HydrophobicContact CZ-CE2 3.8Å; F179-D465 WeakPolarHBondContact CE1-O 3.27Å; F179-P469 HydrophobicContact CZ-CB 3.88Å
180G89.2Confident89.2Confident4 Ų435.6 Ų35.64%0.04116%0.163CC..THydrogen-bonded Turntrans-89.4-131.8177.100000112K176 A177 A182 R235K176-G180 PolarHBondContact O-N 2.92Å; A177-G180 PolarHBondContact O-N 3.42Å; G180-A182 VanDerWaalsContact C-N 3.3Å; G180-A182 PolarHBondContact O-N 3.18Å; G180-R235 PolarHBondContact O-NH2 2.9Å
181R88Confident88.8Confident72 Ų7235 Ų3527%0.27216%0.161SC..THydrogen-bonded Turntrans-71-23.3-173.8-150.7175.8-171814.9114.1N123 S126 D233N123-R181 WeakPolarHBondContact OD1-CD 3.21Å; N123-R181 PolarHBondContact OD1-NE 2.81Å; S126-R181 WeakPolarHBondContact OG-CB 3.28Å; R181-D233 IonicContact NH1-OD1 2.73Å
182A89.8Confident88.7Confident4 Ų435.9 Ų35.93%0.03317%0.165CC..THydrogen-bonded Turntrans-98.313.1-176.800000113.1Y127 L130 G180 G184 F185Y127-A182 HydrophobicContact CD1-CB 3.97Å; Y127-A182 HydrophobicContact CE1-CB 3.81Å; L130-A182 HydrophobicContact CD2-CB 3.82Å; G180-A182 VanDerWaalsContact C-N 3.3Å; G180-A182 PolarHBondContact O-N 3.18Å; A182-G184 PolarHBondContact O-N 2.97Å; A182-F185 WeakPolarHBondContact O-CB 3.46Å; A182-F185 VanDerWaalsContact O-CD1 3.24Å; A182-F185 WeakPolarHBondContact O-CD1 3.45Å; A182-F185 PolarHBondContact O-N 3.28Å
183V91Very high88.4Confident0 Ų032.2 Ų32.20%016%0.159CC..THydrogen-bonded Turntrans-57.9132.6-176.761.60000112A178 F185 E192 F195 H196 L199 P466A178-V183 VanDerWaalsContact O-CA 3.25Å; A178-V183 WeakPolarHBondContact O-CA 3.22Å; A178-V183 WeakPolarHBondContact O-CB 3.4Å; V183-F185 PolarHBondContact O-N 2.95Å; V183-E192 WeakPolarHBondContact O-CG 3.26Å; V183-F195 HydrophobicContact CG2-CB 4.29Å; V183-H196 WeakPolarHBondContact CG1-CE1 3.44Å; V183-H196 WeakPolarHBondContact CG1-ND1 3.32Å; V183-H196 WeakPolarHBondContact CG1-NE2 3.39Å; V183-H196 PolarHBondContact O-CE1 3.41Å; V183-L199 HydrophobicContact CB-CD1 4.39Å; V183-L199 HydrophobicContact CG2-CD1 3.53Å; V183-P466 HydrophobicContact CG2-CB 3.86Å; V183-P466 HydrophobicContact CG2-CG 4.35Å
184G90Very high87.9Confident1 Ų134 Ų341%0.0117%0.166CC..THydrogen-bonded Turntrans70.412.9175.300000114.6A182 Q186 F187A182-G184 PolarHBondContact O-N 2.97Å; G184-Q186 VanDerWaalsContact CA-OE1 3.31Å; G184-Q186 PolarHBondContact O-N 2.89Å; G184-F187 PolarHBondContact O-N 3.25Å
185F90.4Very high87.7Confident23 Ų2330.5 Ų30.510%0.10115%0.147CC..THydrogen-bonded Turntrans-54.6-22.5179.678-82.8000113.8L90 K93 L94 L97 L130 A182 V183 F187L90-F185 HydrophobicContact CD1-CE1 3.92Å; L90-F185 HydrophobicContact CD1-CE2 3.75Å; L90-F185 HydrophobicContact CD1-CZ 3.25Å; L90-F185 HydrophobicContact CG-CZ 3.96Å; K93-F185 HydrophobicContact CB-CD2 4.36Å; K93-F185 HydrophobicContact CB-CE2 4.2Å; L94-F185 HydrophobicContact CB-CE2 3.73Å; L94-F185 HydrophobicContact CB-CZ 4.16Å; L94-F185 HydrophobicContact CD1-CE2 4.38Å; L97-F185 HydrophobicContact CD1-CB 3.8Å; L97-F185 HydrophobicContact CD1-CD2 3.74Å; L97-F185 HydrophobicContact CD1-CG 4.15Å; L130-F185 HydrophobicContact CD2-CD1 3.94Å; L130-F185 HydrophobicContact CD2-CE1 3.57Å; L130-F185 HydrophobicContact CD2-CZ 4.04Å; A182-F185 WeakPolarHBondContact O-CB 3.46Å; A182-F185 VanDerWaalsContact O-CD1 3.24Å; A182-F185 WeakPolarHBondContact O-CD1 3.45Å; A182-F185 PolarHBondContact O-N 3.28Å; V183-F185 PolarHBondContact O-N 2.95Å; F185-F187 VanDerWaalsContact C-N 3.32Å
186Q90.1Very high87.5Confident5 Ų532.1 Ų32.12%0.02316%0.155CC..THydrogen-bonded Turntrans-79-12.8-179.172.9-8830.200113.8L90 K93 G184 F464 L707L90-Q186 HydrophobicContact CD1-CB 3.37Å; L90-Q186 HydrophobicContact CD1-CG 4.04Å; K93-Q186 HydrophobicContact CD-CB 4.44Å; K93-Q186 PolarHBondContact NZ-O 2.99Å; G184-Q186 VanDerWaalsContact CA-OE1 3.31Å; G184-Q186 PolarHBondContact O-N 2.89Å; Q186-F464 PolarHBondContact NE2-O 3.06Å; Q186-F464 VanDerWaalsContact NE2-O 3.08Å; Q186-L707 HydrophobicContact CB-CD1 4.01Å; Q186-L707 HydrophobicContact CG-CD1 4.15Å; Q186-L707 WeakPolarHBondContact O-CD1 3.38Å
187F89.3Confident87Confident13 Ų1330.9 Ų30.96%0.05716%0.161CC..SBendtrans-106.6174.3-177.1-57.6-67.2000112.4G184 F185 V191 F195 L707 P737G184-F187 PolarHBondContact O-N 3.25Å; F185-F187 VanDerWaalsContact C-N 3.32Å; F187-V191 HydrophobicContact CB-CB 3.8Å; F187-V191 HydrophobicContact CB-CG1 3.5Å; F187-V191 VanDerWaalsContact CB-CG1 3.5Å; F187-V191 HydrophobicContact CD1-CG1 4.42Å; F187-V191 HydrophobicContact CD2-CG1 3.96Å; F187-V191 HydrophobicContact CG-CG1 3.72Å; F187-F195 AromaticContact CD2-CD2 3.93Å; F187-F195 HydrophobicContact CD2-CD2 3.93Å; F187-F195 AromaticContact CD2-CE2 3.58Å; F187-F195 HydrophobicContact CD2-CE2 3.58Å; F187-F195 HydrophobicContact CE2-CD2 4.22Å; F187-F195 AromaticContact CE2-CE2 3.6Å; F187-F195 HydrophobicContact CE2-CE2 3.6Å; F187-F195 HydrophobicContact CG-CE2 4.4Å; F187-F195 HydrophobicContact CZ-CE2 4.45Å; F187-L707 HydrophobicContact CE1-CB 3.94Å; F187-L707 HydrophobicContact CE1-CD1 4.5Å; F187-L707 HydrophobicContact CZ-CB 4.47Å; F187-P737 HydrophobicContact CD1-CB 4.12Å; F187-P737 HydrophobicContact CE1-CB 3.63Å; F187-P737 HydrophobicContact CE2-CB 4.14Å; F187-P737 HydrophobicContact CZ-CB 3.64Å
188C82.4Confident86.6Confident18 Ų1831.4 Ų31.412%0.12216%0.163CC..  trans-65.7161.9172.362.20000111.7S190 V191 E192C188-S190 VanDerWaalsContact C-N 3.28Å; C188-S190 PolarHBondContact O-N 3.06Å; C188-S190 PolarHBondContact SG-OG 3Å; C188-V191 PolarHBondContact O-N 3.5Å; C188-V191 VanDerWaalsContact O-N 3.13Å; C188-V191 WeakPolarHBondContact SG-CG2 3.47Å; C188-E192 PolarHBondContact O-N 2.96Å
189K82.5Confident86.4Confident137 Ų13731.1 Ų31.160%0.59616%0.161SC*.Hα-helixtrans-62.6-32.4-170.1-169.652.1168.3-1780114E192 L193K189-E192 HydrophobicContact CD-CB 4.47Å; K189-E192 WeakPolarHBondContact CD-OE2 3.27Å; K189-E192 IonicContact NZ-OE1 3.23Å; K189-E192 PolarHBondContact NZ-OE1 3.13Å; K189-E192 IonicContact NZ-OE2 2.82Å; K189-E192 PolarHBondContact NZ-OE2 3.39Å; K189-L193 WeakPolarHBondContact O-CB 3.41Å; K189-L193 PolarHBondContact O-N 2.52Å
190S81.1Confident86Confident33 Ų3332.2 Ų32.223%0.23117%0.167CC..Hα-helixtrans-63.6-47.317648.40000111.3C188 L193 F194 F746 S747 E749C188-S190 VanDerWaalsContact C-N 3.28Å; C188-S190 PolarHBondContact O-N 3.06Å; C188-S190 PolarHBondContact SG-OG 3Å; S190-L193 PolarHBondContact O-N 3.49Å; S190-F194 PolarHBondContact O-N 3.48Å; S190-F194 VanDerWaalsContact O-N 3.08Å; S190-F746 WeakPolarHBondContact CB-O 3.3Å; S190-S747 WeakPolarHBondContact OG-CB 3.45Å; S190-S747 PolarHBondContact OG-OG 3.45Å; S190-E749 PolarHBondContact OG-OE2 2.91Å
191V84.6Confident85.5Confident1 Ų134 Ų341%0.00618%0.182CC..Hα-helixtrans-68.4-41.4176.5173.50000111.7F187 C188 L193 F194 F195 P737 L743F187-V191 HydrophobicContact CB-CB 3.8Å; F187-V191 HydrophobicContact CB-CG1 3.5Å; F187-V191 VanDerWaalsContact CB-CG1 3.5Å; F187-V191 HydrophobicContact CD1-CG1 4.42Å; F187-V191 HydrophobicContact CD2-CG1 3.96Å; F187-V191 HydrophobicContact CG-CG1 3.72Å; C188-V191 PolarHBondContact O-N 3.5Å; C188-V191 VanDerWaalsContact O-N 3.13Å; C188-V191 WeakPolarHBondContact SG-CG2 3.47Å; V191-L193 VanDerWaalsContact C-N 3.32Å; V191-L193 PolarHBondContact O-N 3.01Å; V191-F194 WeakPolarHBondContact O-CB 3.41Å; V191-F194 PolarHBondContact O-N 3.12Å; V191-F195 HydrophobicContact CG1-CD2 3.59Å; V191-F195 HydrophobicContact CG1-CE2 3.27Å; V191-F195 HydrophobicContact CG1-CZ 4.15Å; V191-F195 WeakPolarHBondContact O-CD2 3.28Å; V191-F195 PolarHBondContact O-N 3.28Å; V191-P737 HydrophobicContact CG1-CB 4.42Å; V191-P737 HydrophobicContact CG1-CG 3.81Å; V191-L743 HydrophobicContact CG1-CD1 4.37Å; V191-L743 HydrophobicContact CG2-CD1 4.16Å
192E86.8Confident85.2Confident43 Ų4330.9 Ų30.920%0.20117%0.17CC..Hα-helixtrans-57.7-44.7175.2-170.3-151.5131.100111.4V183 C188 K189 F195 H196V183-E192 WeakPolarHBondContact O-CG 3.26Å; C188-E192 PolarHBondContact O-N 2.96Å; K189-E192 HydrophobicContact CD-CB 4.47Å; K189-E192 WeakPolarHBondContact CD-OE2 3.27Å; K189-E192 IonicContact NZ-OE1 3.23Å; K189-E192 PolarHBondContact NZ-OE1 3.13Å; K189-E192 IonicContact NZ-OE2 2.82Å; K189-E192 PolarHBondContact NZ-OE2 3.39Å; E192-F195 PolarHBondContact O-N 3.45Å; E192-H196 PolarHBondContact O-N 2.69Å; E192-H196 PolarHBondContact O-ND1 2.75Å; E192-H196 IonicContact OE1-CE1 2.68Å; E192-H196 IonicContact OE1-ND1 2.72Å
193L84.1Confident84.9Confident119 Ų11930.7 Ų30.762%0.62317%0.169SC*.Hα-helixtrans-65.1-41.2177.5-179.564000111.8K189 S190 V191 H196 A197K189-L193 WeakPolarHBondContact O-CB 3.41Å; K189-L193 PolarHBondContact O-N 2.52Å; S190-L193 PolarHBondContact O-N 3.49Å; V191-L193 VanDerWaalsContact C-N 3.32Å; V191-L193 PolarHBondContact O-N 3.01Å; L193-H196 PolarHBondContact O-N 2.61Å; L193-A197 PolarHBondContact O-N 3.24Å; L193-A197 VanDerWaalsContact O-N 3.1Å
194F82.2Confident84.3Confident60 Ų6031.6 Ų31.626%0.26317%0.173SC..Hα-helixtrans-58-50174.2168.9-94000111.1S190 V191 H196 A197 M198 L743 F746S190-F194 PolarHBondContact O-N 3.48Å; S190-F194 VanDerWaalsContact O-N 3.08Å; V191-F194 WeakPolarHBondContact O-CB 3.41Å; V191-F194 PolarHBondContact O-N 3.12Å; F194-H196 VanDerWaalsContact C-N 3.34Å; F194-H196 PolarHBondContact O-N 2.58Å; F194-A197 PolarHBondContact O-N 2.93Å; F194-A197 VanDerWaalsContact O-N 3.12Å; F194-M198 HydrophobicContact CE1-CB 4.3Å; F194-M198 HydrophobicContact CE1-CG 4.48Å; F194-M198 HydrophobicContact CE1-SD 3.75Å; F194-M198 HydrophobicContact CZ-CB 4.4Å; F194-M198 HydrophobicContact CZ-CG 4.46Å; F194-M198 HydrophobicContact CZ-SD 4.07Å; F194-M198 WeakPolarHBondContact O-CB 3.5Å; F194-M198 PolarHBondContact O-N 3.17Å; F194-L743 HydrophobicContact CD1-CD1 4.23Å; F194-L743 HydrophobicContact CD1-CD2 3.6Å; F194-L743 HydrophobicContact CD2-CD2 3.77Å; F194-L743 HydrophobicContact CE1-CD1 4.49Å; F194-L743 HydrophobicContact CE1-CD2 3.45Å; F194-L743 VanDerWaalsContact CE1-CD2 3.45Å; F194-L743 HydrophobicContact CE2-CD2 3.61Å; F194-L743 HydrophobicContact CG-CD2 3.77Å; F194-L743 HydrophobicContact CZ-CD2 3.45Å; F194-L743 VanDerWaalsContact CZ-CD2 3.45Å; F194-F746 HydrophobicContact CD2-CD2 4.4Å
195F86.4Confident83.6Confident0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-65.9-34.9-178.8-73-45.8000113.3V183 F187 V191 E192 M198 L199 P466 L467 P737V183-F195 HydrophobicContact CG2-CB 4.29Å; F187-F195 AromaticContact CD2-CD2 3.93Å; F187-F195 HydrophobicContact CD2-CD2 3.93Å; F187-F195 AromaticContact CD2-CE2 3.58Å; F187-F195 HydrophobicContact CD2-CE2 3.58Å; F187-F195 HydrophobicContact CE2-CD2 4.22Å; F187-F195 AromaticContact CE2-CE2 3.6Å; F187-F195 HydrophobicContact CE2-CE2 3.6Å; F187-F195 HydrophobicContact CG-CE2 4.4Å; F187-F195 HydrophobicContact CZ-CE2 4.45Å; V191-F195 HydrophobicContact CG1-CD2 3.59Å; V191-F195 HydrophobicContact CG1-CE2 3.27Å; V191-F195 HydrophobicContact CG1-CZ 4.15Å; V191-F195 WeakPolarHBondContact O-CD2 3.28Å; V191-F195 PolarHBondContact O-N 3.28Å; E192-F195 PolarHBondContact O-N 3.45Å; F195-M198 HydrophobicContact CD1-CE 3.57Å; F195-M198 HydrophobicContact CD1-SD 3.95Å; F195-M198 HydrophobicContact CE1-CE 4.04Å; F195-M198 HydrophobicContact CE1-SD 4.22Å; F195-M198 PolarHBondContact O-N 3.08Å; F195-L199 WeakPolarHBondContact O-CB 3.5Å; F195-L199 WeakPolarHBondContact O-CG 3.41Å; F195-L199 PolarHBondContact O-N 3.2Å; F195-P466 HydrophobicContact CB-CB 4.16Å; F195-P466 HydrophobicContact CB-CG 3.85Å; F195-P466 HydrophobicContact CD1-CB 3.98Å; F195-P466 HydrophobicContact CD1-CG 3.45Å; F195-P466 VanDerWaalsContact CD1-CG 3.45Å; F195-P466 HydrophobicContact CD2-CG 3.43Å; F195-P466 VanDerWaalsContact CD2-CG 3.43Å; F195-P466 HydrophobicContact CE1-CG 3.73Å; F195-P466 HydrophobicContact CE2-CG 3.69Å; F195-P466 HydrophobicContact CG-CB 4.02Å; F195-P466 HydrophobicContact CG-CG 3.3Å; F195-P466 HydrophobicContact CZ-CG 3.83Å; F195-L467 HydrophobicContact CE1-CB 4.01Å; F195-L467 HydrophobicContact CZ-CB 4.4Å; F195-P737 HydrophobicContact CE2-CB 3.89Å; F195-P737 HydrophobicContact CE2-CG 4.13Å; F195-P737 HydrophobicContact CZ-CB 3.72Å; F195-P737 HydrophobicContact CZ-CG 3.94Å
196H85.9Confident83Confident41 Ų4131.2 Ų31.219%0.1917%0.172CC..Hα-helixtrans-57.4-49.3169.8-85.487.3000112V183 E192 L193 F194 V200V183-H196 WeakPolarHBondContact CG1-CE1 3.44Å; V183-H196 WeakPolarHBondContact CG1-ND1 3.32Å; V183-H196 WeakPolarHBondContact CG1-NE2 3.39Å; V183-H196 PolarHBondContact O-CE1 3.41Å; E192-H196 PolarHBondContact O-N 2.69Å; E192-H196 PolarHBondContact O-ND1 2.75Å; E192-H196 IonicContact OE1-CE1 2.68Å; E192-H196 IonicContact OE1-ND1 2.72Å; L193-H196 PolarHBondContact O-N 2.61Å; F194-H196 VanDerWaalsContact C-N 3.34Å; F194-H196 PolarHBondContact O-N 2.58Å; H196-V200 VanDerWaalsContact O-CG2 3.28Å; H196-V200 WeakPolarHBondContact O-CG2 3.38Å; H196-V200 PolarHBondContact O-N 3.29Å
197A80.7Confident82.3Confident63 Ų6333.3 Ų33.352%0.52119%0.185SC..Hα-helixtrans-65.6-43.7179.700000111.7L193 F194 V200 A201L193-A197 PolarHBondContact O-N 3.24Å; L193-A197 VanDerWaalsContact O-N 3.1Å; F194-A197 PolarHBondContact O-N 2.93Å; F194-A197 VanDerWaalsContact O-N 3.12Å; A197-V200 PolarHBondContact O-N 2.62Å; A197-A201 PolarHBondContact O-N 3.46Å
198M81.6Confident81.3Confident17 Ų1734.4 Ų34.48%0.08419%0.19CC..Hα-helixtrans-57.6-51178.3-175.5-170.980.400111.5F194 F195 V200 A201 L202 F254 P466 L467F194-M198 HydrophobicContact CE1-CB 4.3Å; F194-M198 HydrophobicContact CE1-CG 4.48Å; F194-M198 HydrophobicContact CE1-SD 3.75Å; F194-M198 HydrophobicContact CZ-CB 4.4Å; F194-M198 HydrophobicContact CZ-CG 4.46Å; F194-M198 HydrophobicContact CZ-SD 4.07Å; F194-M198 WeakPolarHBondContact O-CB 3.5Å; F194-M198 PolarHBondContact O-N 3.17Å; F195-M198 HydrophobicContact CD1-CE 3.57Å; F195-M198 HydrophobicContact CD1-SD 3.95Å; F195-M198 HydrophobicContact CE1-CE 4.04Å; F195-M198 HydrophobicContact CE1-SD 4.22Å; F195-M198 PolarHBondContact O-N 3.08Å; M198-V200 PolarHBondContact O-N 2.66Å; M198-A201 WeakPolarHBondContact O-CB 3.47Å; M198-A201 PolarHBondContact O-N 3.35Å; M198-A201 VanDerWaalsContact O-N 3.16Å; M198-L202 PolarHBondContact O-N 2.67Å; M198-F254 HydrophobicContact CB-CZ 4.49Å; M198-F254 HydrophobicContact CG-CE1 3.58Å; M198-F254 HydrophobicContact CG-CZ 3.46Å; M198-F254 VanDerWaalsContact CG-CZ 3.46Å; M198-F254 VanDerWaalsContact O-CZ 3.29Å; M198-F254 WeakPolarHBondContact O-CZ 3.48Å; M198-F254 HydrophobicContact SD-CE1 4.27Å; M198-P466 HydrophobicContact CE-CB 4.16Å; M198-P466 WeakPolarHBondContact CE-O 3.22Å; M198-L467 HydrophobicContact CE-CD1 4.47Å; M198-L467 HydrophobicContact SD-CD1 4.02Å
199L86.4Confident80.7Confident0 Ų037.4 Ų37.40%020%0.199CC..Hα-helixtrans-70.6-30.4-177.8-70.9-166.5000113.3F179 V183 F195 L202 A203 L239 F243 P466F179-L199 HydrophobicContact CB-CD1 4.25Å; F179-L199 HydrophobicContact CD1-CD1 3.97Å; V183-L199 HydrophobicContact CB-CD1 4.39Å; V183-L199 HydrophobicContact CG2-CD1 3.53Å; F195-L199 WeakPolarHBondContact O-CB 3.5Å; F195-L199 WeakPolarHBondContact O-CG 3.41Å; F195-L199 PolarHBondContact O-N 3.2Å; L199-L202 HydrophobicContact CD2-CD2 4.28Å; L199-L202 PolarHBondContact O-N 2.71Å; L199-A203 WeakPolarHBondContact O-CB 3.25Å; L199-A203 PolarHBondContact O-N 3.42Å; L199-L239 HydrophobicContact CB-CD1 3.81Å; L199-L239 HydrophobicContact CD1-CD1 3.87Å; L199-L239 HydrophobicContact CD2-CD1 4.29Å; L199-L239 HydrophobicContact CD2-CD2 4.29Å; L199-L239 HydrophobicContact CG-CD1 4.22Å; L199-F243 HydrophobicContact CD2-CZ 4.42Å; L199-P466 HydrophobicContact CD1-CB 3.94Å; L199-P466 HydrophobicContact CD2-CB 4.42Å; L199-P466 HydrophobicContact CG-CB 4.26Å
200V83.7Confident79.8Confident22 Ų2237.3 Ų37.313%0.13320%0.2CC..Hα-helixtrans-63.3-44.7169.5169.30000110.4H196 A197 M198 L202 F204 F229 V230 R235H196-V200 VanDerWaalsContact O-CG2 3.28Å; H196-V200 WeakPolarHBondContact O-CG2 3.38Å; H196-V200 PolarHBondContact O-N 3.29Å; A197-V200 PolarHBondContact O-N 2.62Å; M198-V200 PolarHBondContact O-N 2.66Å; V200-L202 VanDerWaalsContact C-N 3.34Å; V200-F204 VanDerWaalsContact O-CB 3.23Å; V200-F204 WeakPolarHBondContact O-CB 3.47Å; V200-F204 PolarHBondContact O-N 3.19Å; V200-F229 HydrophobicContact CG1-CB 4.38Å; V200-V230 HydrophobicContact CG1-CG2 3.77Å; V200-V230 HydrophobicContact CG2-CG2 4.15Å; V200-R235 VanDerWaalsContact CG2-NH1 3.32Å
201A78.4Confident79Confident42 Ų4237.6 Ų37.635%0.34720%0.202SC..Hα-helixtrans-64.1-38.7177.400000112.1A197 M198 F204 L205 F254A197-A201 PolarHBondContact O-N 3.46Å; M198-A201 WeakPolarHBondContact O-CB 3.47Å; M198-A201 PolarHBondContact O-N 3.35Å; M198-A201 VanDerWaalsContact O-N 3.16Å; A201-F204 WeakPolarHBondContact O-CB 3.14Å; A201-F204 PolarHBondContact O-N 3.4Å; A201-L205 WeakPolarHBondContact O-CB 3.05Å; A201-L205 PolarHBondContact O-N 2.74Å; A201-F254 HydrophobicContact CB-CE2 4.02Å
202L82.6Confident77.5Confident6 Ų641.8 Ų41.83%0.03123%0.232CC..Hα-helixtrans-67.6-48.3176.9-179.858.6000112.4M198 L199 V200 F204 L205 G206 L239 F243 F251 F254M198-L202 PolarHBondContact O-N 2.67Å; L199-L202 HydrophobicContact CD2-CD2 4.28Å; L199-L202 PolarHBondContact O-N 2.71Å; V200-L202 VanDerWaalsContact C-N 3.34Å; L202-F204 PolarHBondContact O-N 2.7Å; L202-L205 PolarHBondContact O-N 3.3Å; L202-G206 PolarHBondContact O-N 3.47Å; L202-L239 HydrophobicContact CB-CD2 4.16Å; L202-L239 HydrophobicContact CD2-CD2 3.92Å; L202-L239 HydrophobicContact CG-CD2 3.96Å; L202-F243 HydrophobicContact CD2-CE1 3.77Å; L202-F243 HydrophobicContact CD2-CZ 4.32Å; L202-F251 HydrophobicContact CD1-CE1 4.31Å; L202-F251 HydrophobicContact CD2-CE1 4.2Å; L202-F254 HydrophobicContact CB-CD2 4.11Å; L202-F254 HydrophobicContact CB-CE1 4.2Å; L202-F254 HydrophobicContact CB-CE2 3.72Å; L202-F254 HydrophobicContact CB-CZ 3.78Å; L202-F254 HydrophobicContact CD1-CB 4.1Å; L202-F254 HydrophobicContact CD1-CD1 4.08Å; L202-F254 HydrophobicContact CD1-CD2 3.85Å; L202-F254 HydrophobicContact CD1-CE2 4.35Å; L202-F254 HydrophobicContact CD1-CG 3.72Å
203A83.2Confident75.9Confident0 Ų044.6 Ų44.60%026%0.256CS..Hα-helixtrans-58.9-37.8176.800000111.5L199 T207 F229 R235 K238 L239L199-A203 WeakPolarHBondContact O-CB 3.25Å; L199-A203 PolarHBondContact O-N 3.42Å; A203-T207 PolarHBondContact O-N 2.62Å; A203-T207 PolarHBondContact O-OG1 3.45Å; A203-F229 HydrophobicContact CB-CD1 4.17Å; A203-F229 HydrophobicContact CB-CD2 4.19Å; A203-F229 HydrophobicContact CB-CE1 4.37Å; A203-F229 HydrophobicContact CB-CE2 4.4Å; A203-F229 HydrophobicContact CB-CG 4.08Å; A203-F229 HydrophobicContact CB-CZ 4.48Å; A203-R235 HydrophobicContact CB-CG 4.2Å; A203-K238 HydrophobicContact CB-CG 4.35Å; A203-L239 HydrophobicContact CB-CD2 4.01Å; A203-L239 HydrophobicContact CB-CG 4.16Å
204F77.3Confident74.5Confident20 Ų2040.6 Ų40.69%0.08824%0.237CC..Hα-helixtrans-63.4-55.1173.4177.7-92.3000112.2V200 A201 L202 G206 T207 F208 T222 C226 I639V200-F204 VanDerWaalsContact O-CB 3.23Å; V200-F204 WeakPolarHBondContact O-CB 3.47Å; V200-F204 PolarHBondContact O-N 3.19Å; A201-F204 WeakPolarHBondContact O-CB 3.14Å; A201-F204 PolarHBondContact O-N 3.4Å; L202-F204 PolarHBondContact O-N 2.7Å; F204-G206 VanDerWaalsContact C-N 3.29Å; F204-G206 PolarHBondContact O-N 2.78Å; F204-T207 VanDerWaalsContact O-CB 3.29Å; F204-T207 WeakPolarHBondContact O-CB 3.49Å; F204-T207 PolarHBondContact O-N 3.34Å; F204-F208 HydrophobicContact CD2-CE2 4.08Å; F204-F208 HydrophobicContact CE1-CD2 4.32Å; F204-F208 HydrophobicContact CE1-CE2 4.22Å; F204-F208 AromaticContact CE2-CE2 3.83Å; F204-F208 HydrophobicContact CE2-CE2 3.83Å; F204-F208 HydrophobicContact CG-CE2 4.46Å; F204-F208 HydrophobicContact CZ-CD2 4.42Å; F204-F208 AromaticContact CZ-CE2 3.9Å; F204-F208 HydrophobicContact CZ-CE2 3.9Å; F204-F208 VanDerWaalsContact O-CD2 3.26Å; F204-F208 WeakPolarHBondContact O-CD2 3.5Å; F204-T222 HydrophobicContact CD2-CG2 4.28Å; F204-T222 HydrophobicContact CE1-CG2 4.31Å; F204-T222 HydrophobicContact CE2-CG2 3.05Å; F204-T222 HydrophobicContact CZ-CG2 3.07Å; F204-C226 WeakPolarHBondContact CD2-SG 3.38Å; F204-C226 WeakPolarHBondContact CE2-SG 3.3Å; F204-I639 HydrophobicContact CE1-CG1 4.49Å; F204-I639 HydrophobicContact CZ-CD1 4.38Å; F204-I639 HydrophobicContact CZ-CG2 4.34Å
205L75.6Confident73.3Confident13 Ų1340.5 Ų40.57%0.06824%0.244CC..Hα-helixtrans-55.5-45.6179.7-179.465.7000111.2A201 L202 T207 F208 W209 L250 F254 L257 F646A201-L205 WeakPolarHBondContact O-CB 3.05Å; A201-L205 PolarHBondContact O-N 2.74Å; L202-L205 PolarHBondContact O-N 3.3Å; L205-T207 PolarHBondContact O-N 2.76Å; L205-F208 PolarHBondContact O-N 3.28Å; L205-F208 VanDerWaalsContact O-N 3.07Å; L205-W209 PolarHBondContact O-N 2.7Å; L205-L250 HydrophobicContact CD2-CD1 3.72Å; L205-L250 HydrophobicContact CG-CD1 3.77Å; L205-F254 HydrophobicContact CD2-CB 3.94Å; L205-F254 HydrophobicContact CD2-CD2 3.91Å; L205-F254 HydrophobicContact CD2-CG 4.43Å; L205-L257 HydrophobicContact CD2-CD1 4.46Å; L205-F646 HydrophobicContact CD1-CE2 4.04Å; L205-F646 HydrophobicContact CD1-CZ 3.76Å
206G77.4Confident72.1Confident2 Ų248.6 Ų48.62%0.02128%0.279CS..Hα-helixtrans-68.7-14.3178.800000114.8L202 F204 F208 K238L202-G206 PolarHBondContact O-N 3.47Å; F204-G206 VanDerWaalsContact C-N 3.29Å; F204-G206 PolarHBondContact O-N 2.78Å; G206-F208 VanDerWaalsContact C-N 3.31Å; G206-K238 WeakPolarHBondContact O-CE 3.06Å
207T75.8Confident70.4Confident50 Ų5054.2 Ų54.231%0.30730%0.3SS..Hα-helixtrans-72.5-28.8171-590000111.4A203 F204 L205 F229A203-T207 PolarHBondContact O-N 2.62Å; A203-T207 PolarHBondContact O-OG1 3.45Å; F204-T207 VanDerWaalsContact O-CB 3.29Å; F204-T207 WeakPolarHBondContact O-CB 3.49Å; F204-T207 PolarHBondContact O-N 3.34Å; L205-T207 PolarHBondContact O-N 2.76Å; T207-F229 WeakPolarHBondContact OG1-CZ 3.08Å
208F69.3Low69.3Low36 Ų3655.2 Ų55.216%0.15829%0.294CS..Hα-helixtrans-103.3-13.7-178.4-60.8-77.1000113.7F204 L205 G206 E210 S211 P214 T222F204-F208 HydrophobicContact CD2-CE2 4.08Å; F204-F208 HydrophobicContact CE1-CD2 4.32Å; F204-F208 HydrophobicContact CE1-CE2 4.22Å; F204-F208 AromaticContact CE2-CE2 3.83Å; F204-F208 HydrophobicContact CE2-CE2 3.83Å; F204-F208 HydrophobicContact CG-CE2 4.46Å; F204-F208 HydrophobicContact CZ-CD2 4.42Å; F204-F208 AromaticContact CZ-CE2 3.9Å; F204-F208 HydrophobicContact CZ-CE2 3.9Å; F204-F208 VanDerWaalsContact O-CD2 3.26Å; F204-F208 WeakPolarHBondContact O-CD2 3.5Å; L205-F208 PolarHBondContact O-N 3.28Å; L205-F208 VanDerWaalsContact O-N 3.07Å; G206-F208 VanDerWaalsContact C-N 3.31Å; F208-E210 PolarHBondContact O-N 2.81Å; F208-E210 VanDerWaalsContact O-N 3.14Å; F208-S211 WeakPolarHBondContact CA-OG 3.32Å; F208-S211 PolarHBondContact O-N 2.63Å; F208-S211 PolarHBondContact O-OG 2.73Å; F208-P214 HydrophobicContact CD1-CB 4.27Å; F208-T222 HydrophobicContact CE1-CG2 4.39Å; F208-T222 WeakPolarHBondContact CE1-OG1 3.48Å; F208-T222 HydrophobicContact CE2-CG2 3.61Å; F208-T222 HydrophobicContact CZ-CG2 3.43Å; F208-T222 VanDerWaalsContact CZ-CG2 3.43Å; F208-T222 WeakPolarHBondContact CZ-OG1 3.38Å
209W69.9Low67.9Low81 Ų8158.7 Ų58.731%0.30731%0.308SS..THydrogen-bonded Turntrans-55.7-32.7-177.9-171.4-106.2000113.7L205 L249 L250 S253L205-W209 PolarHBondContact O-N 2.7Å; W209-L249 HydrophobicContact CH2-CB 4.32Å; W209-L249 HydrophobicContact CZ2-CB 3.86Å; W209-L250 HydrophobicContact CB-CD1 4.05Å; W209-L250 HydrophobicContact CD2-CB 4.04Å; W209-L250 HydrophobicContact CD2-CD1 3.66Å; W209-L250 HydrophobicContact CD2-CG 4.41Å; W209-L250 HydrophobicContact CE3-CD1 3.69Å; W209-L250 HydrophobicContact CG-CB 4.32Å; W209-L250 HydrophobicContact CG-CD1 3.81Å; W209-L250 HydrophobicContact CG-CG 4.46Å; W209-L250 HydrophobicContact CZ2-CB 4.24Å; W209-L250 HydrophobicContact CZ3-CD1 4.41Å; W209-S253 WeakPolarHBondContact CH2-OG 3.41Å
210E63.1Low66.1Low135 Ų13563.2 Ų63.263%0.63133%0.332SS*.THydrogen-bonded Turntrans-87.5-14.2176.9-64-171.216000114F208 S212F208-E210 PolarHBondContact O-N 2.81Å; F208-E210 VanDerWaalsContact O-N 3.14Å; E210-S212 PolarHBondContact O-N 2.94Å
211S63.2Low64.7Low38 Ų3865.7 Ų65.727%0.26634%0.344SS..  trans-86.1103.8-176.663.90000111.4F208 S213F208-S211 WeakPolarHBondContact CA-OG 3.32Å; F208-S211 PolarHBondContact O-N 2.63Å; F208-S211 PolarHBondContact O-OG 2.73Å; S211-S213 PolarHBondContact O-N 2.71Å
212S53.3Low63.5Low90 Ų9063.9 Ų63.963%0.62933%0.329SS*.SBendtrans-64-12-177.9-49.30000115E210E210-S212 PolarHBondContact O-N 2.94Å
213S54.4Low62.3Low102 Ų10268.4 Ų68.471%0.71335%0.353SS*.SBendtrans-168.697.4172.4-83.70000110.9S211 S215S211-S213 PolarHBondContact O-N 2.71Å; S213-S215 PolarHBondContact O-N 3.37Å
214P53.8Low61Low34 Ų3474.9 Ų74.922%0.22138%0.381CS..  trans-74.7119.9177.226.3-30.3000111.4F208 Q218 F643F208-P214 HydrophobicContact CD1-CB 4.27Å; P214-Q218 HydrophobicContact CB-CB 4Å; P214-F643 HydrophobicContact CG-CE1 4.36Å
215S58.3Low60.2Low58 Ų5875.3 Ų75.341%0.40639%0.387SS..  trans-53.8157.317063.30000112.5S213 Y217 Q218 K219S213-S215 PolarHBondContact O-N 3.37Å; S215-Y217 PolarHBondContact O-N 3.39Å; S215-Y217 VanDerWaalsContact O-N 3.17Å; S215-Q218 WeakPolarHBondContact O-CA 3.44Å; S215-Q218 WeakPolarHBondContact O-CB 3.47Å; S215-Q218 PolarHBondContact O-N 2.72Å; S215-Q218 WeakPolarHBondContact OG-CG 3.44Å; S215-Q218 PolarHBondContact OG-N 2.77Å; S215-Q218 PolarHBondContact OG-OE1 3.19Å; S215-K219 PolarHBondContact O-N 3.21Å
216F59.3Low59.7Low170 Ų17076 Ų7675%0.74639%0.393SS*.Hα-helixtrans-53.7-35.4174.3177.8-98.3000112.9K219 L220F216-K219 WeakPolarHBondContact O-CB 3.45Å; F216-K219 PolarHBondContact O-N 3.09Å; F216-L220 PolarHBondContact O-N 3.32Å
217Y51.3Low59.1Low159 Ų15983.1 Ų83.162%0.62442%0.419SS*.Hα-helixtrans-67.1-40.4175.5-175.5-104000112.4S215 K219 L220 L221S215-Y217 PolarHBondContact O-N 3.39Å; S215-Y217 VanDerWaalsContact O-N 3.17Å; Y217-K219 VanDerWaalsContact C-N 3.28Å; Y217-K219 PolarHBondContact O-N 2.66Å; Y217-L220 PolarHBondContact O-N 3.45Å; Y217-L220 VanDerWaalsContact O-N 3.16Å; Y217-L221 HydrophobicContact CD1-CD1 3.72Å; Y217-L221 HydrophobicContact CD1-CG 4.31Å; Y217-L221 HydrophobicContact CE1-CD1 3.36Å; Y217-L221 HydrophobicContact CE1-CG 3.97Å; Y217-L221 PolarHBondContact O-N 3.12Å
218Q57.1Low58.9Low84 Ų8487.1 Ų87.139%0.39343%0.428SS..Hα-helixtrans-59.7-40.3170.5-77.7161-38.100110.7P214 S215 L220 L221 T222P214-Q218 HydrophobicContact CB-CB 4Å; S215-Q218 WeakPolarHBondContact O-CA 3.44Å; S215-Q218 WeakPolarHBondContact O-CB 3.47Å; S215-Q218 PolarHBondContact O-N 2.72Å; S215-Q218 WeakPolarHBondContact OG-CG 3.44Å; S215-Q218 PolarHBondContact OG-N 2.77Å; S215-Q218 PolarHBondContact OG-OE1 3.19Å; Q218-L220 VanDerWaalsContact C-N 3.35Å; Q218-L220 PolarHBondContact O-N 3.47Å; Q218-L221 PolarHBondContact O-N 3.09Å; Q218-T222 WeakPolarHBondContact O-CB 3.46Å; Q218-T222 PolarHBondContact O-N 2.87Å; Q218-T222 PolarHBondContact O-OG1 3.44Å
219K51.8Low59.2Low90 Ų9085.9 Ų85.939%0.39142%0.423SS..Hα-helixtrans-62.3-30.6173.7-63.3179.9-174.6-179.60114.4S215 F216 Y217 T222 F643S215-K219 PolarHBondContact O-N 3.21Å; F216-K219 WeakPolarHBondContact O-CB 3.45Å; F216-K219 PolarHBondContact O-N 3.09Å; Y217-K219 VanDerWaalsContact C-N 3.28Å; Y217-K219 PolarHBondContact O-N 2.66Å; K219-T222 WeakPolarHBondContact CA-OG1 3.46Å; K219-T222 WeakPolarHBondContact O-CB 3.22Å; K219-T222 PolarHBondContact O-OG1 2.82Å; K219-F643 HydrophobicContact CG-CE1 4.24Å; K219-F643 HydrophobicContact CG-CZ 4.2Å
220L48.9Very low59.3Low95 Ų9586.2 Ų86.250%0.49743%0.433SS..Hα-helixtrans-79.1-42.3174.8-163.882.5000111.6F216 Y217 Q218 T222 L223F216-L220 PolarHBondContact O-N 3.32Å; Y217-L220 PolarHBondContact O-N 3.45Å; Y217-L220 VanDerWaalsContact O-N 3.16Å; Q218-L220 VanDerWaalsContact C-N 3.35Å; Q218-L220 PolarHBondContact O-N 3.47Å; L220-T222 PolarHBondContact O-N 3.03Å; L220-L223 PolarHBondContact O-N 3.48Å
221L53.7Low59.4Low74 Ų7484.3 Ų84.339%0.38743%0.427SS..Hα-helixtrans-58.6-25.1170.3-72.8174.5000112Y217 Q218 L223 F224 S225Y217-L221 HydrophobicContact CD1-CD1 3.72Å; Y217-L221 HydrophobicContact CD1-CG 4.31Å; Y217-L221 HydrophobicContact CE1-CD1 3.36Å; Y217-L221 HydrophobicContact CE1-CG 3.97Å; Y217-L221 PolarHBondContact O-N 3.12Å; Q218-L221 PolarHBondContact O-N 3.09Å; L221-L223 PolarHBondContact O-N 3.03Å; L221-F224 CarbonylContact O-C 3.48Å; L221-F224 WeakPolarHBondContact O-CA 3.38Å; L221-F224 VanDerWaalsContact O-CB 3.3Å; L221-F224 WeakPolarHBondContact O-CB 3.29Å; L221-F224 PolarHBondContact O-N 3.43Å; L221-F224 VanDerWaalsContact O-N 3.08Å; L221-S225 PolarHBondContact O-N 3.09Å; L221-S225 PolarHBondContact O-OG 3.21Å
222T54.8Low59.4Low4 Ų489.1 Ų89.13%0.02544%0.44CS..Hα-helixtrans-59.9-41.5178-580000113.4F204 F208 Q218 K219 L220 F224 S225 C226 F643F204-T222 HydrophobicContact CD2-CG2 4.28Å; F204-T222 HydrophobicContact CE1-CG2 4.31Å; F204-T222 HydrophobicContact CE2-CG2 3.05Å; F204-T222 HydrophobicContact CZ-CG2 3.07Å; F208-T222 HydrophobicContact CE1-CG2 4.39Å; F208-T222 WeakPolarHBondContact CE1-OG1 3.48Å; F208-T222 HydrophobicContact CE2-CG2 3.61Å; F208-T222 HydrophobicContact CZ-CG2 3.43Å; F208-T222 VanDerWaalsContact CZ-CG2 3.43Å; F208-T222 WeakPolarHBondContact CZ-OG1 3.38Å; Q218-T222 WeakPolarHBondContact O-CB 3.46Å; Q218-T222 PolarHBondContact O-N 2.87Å; Q218-T222 PolarHBondContact O-OG1 3.44Å; K219-T222 WeakPolarHBondContact CA-OG1 3.46Å; K219-T222 WeakPolarHBondContact O-CB 3.22Å; K219-T222 PolarHBondContact O-OG1 2.82Å; L220-T222 PolarHBondContact O-N 3.03Å; T222-F224 VanDerWaalsContact C-N 3.28Å; T222-F224 PolarHBondContact O-N 3.01Å; T222-S225 WeakPolarHBondContact O-CB 3Å; T222-S225 PolarHBondContact O-N 3.22Å; T222-S225 VanDerWaalsContact O-N 3.13Å; T222-C226 PolarHBondContact O-N 2.91Å; T222-F643 HydrophobicContact CG2-CE2 4.32Å; T222-F643 HydrophobicContact CG2-CZ 4.2Å
223L56.2Low60.1Low101 Ų10188.6 Ų88.653%0.52943%0.43SS..Hα-helixtrans-65-34.6174-73.2169.8000111.4L220 L221 R227L220-L223 PolarHBondContact O-N 3.48Å; L221-L223 PolarHBondContact O-N 3.03Å; L223-R227 PolarHBondContact O-N 3.41Å
224F55.9Low61.1Low136 Ų13684.5 Ų84.560%0.59640%0.402SS*.Hα-helixtrans-67.9-36.3171.7-75.4-87.3000111.9L221 T222 R227 R228L221-F224 CarbonylContact O-C 3.48Å; L221-F224 WeakPolarHBondContact O-CA 3.38Å; L221-F224 VanDerWaalsContact O-CB 3.3Å; L221-F224 WeakPolarHBondContact O-CB 3.29Å; L221-F224 PolarHBondContact O-N 3.43Å; L221-F224 VanDerWaalsContact O-N 3.08Å; T222-F224 VanDerWaalsContact C-N 3.28Å; T222-F224 PolarHBondContact O-N 3.01Å; F224-R227 PolarHBondContact O-N 3.1Å; F224-R228 PolarHBondContact O-N 3Å
225S61.8Low62.5Low30 Ų3083.7 Ų83.721%0.2139%0.394CS..Hα-helixtrans-65.5-39.3175.5-58.50000113L221 T222 R227 R228 F229L221-S225 PolarHBondContact O-N 3.09Å; L221-S225 PolarHBondContact O-OG 3.21Å; T222-S225 WeakPolarHBondContact O-CB 3Å; T222-S225 PolarHBondContact O-N 3.22Å; T222-S225 VanDerWaalsContact O-N 3.13Å; S225-R227 VanDerWaalsContact C-N 3.34Å; S225-R227 PolarHBondContact O-N 3.38Å; S225-R228 WeakPolarHBondContact O-CA 3.16Å; S225-R228 VanDerWaalsContact O-CB 3.28Å; S225-R228 WeakPolarHBondContact O-CB 3.2Å; S225-R228 PolarHBondContact O-N 2.86Å; S225-R228 VanDerWaalsContact O-N 3.13Å; S225-F229 WeakPolarHBondContact O-CD2 3.06Å; S225-F229 PolarHBondContact O-N 3.15Å; S225-F229 VanDerWaalsContact O-N 3.09Å
226C63.5Low64Low28 Ų2881.5 Ų81.519%0.18938%0.379CS..Hα-helixtrans-56.8-49.1171.6-75.50000111.1F204 T222 R228 F229 V230F204-C226 WeakPolarHBondContact CD2-SG 3.38Å; F204-C226 WeakPolarHBondContact CE2-SG 3.3Å; T222-C226 PolarHBondContact O-N 2.91Å; C226-R228 PolarHBondContact O-N 3.43Å; C226-F229 PolarHBondContact O-N 3.29Å; C226-F229 VanDerWaalsContact O-N 3.08Å; C226-V230 VanDerWaalsContact O-CG2 3.29Å; C226-V230 WeakPolarHBondContact O-CG2 2.87Å; C226-V230 PolarHBondContact O-N 3.37Å
227R65.9Low65.4Low150 Ų15078.7 Ų78.757%0.56637%0.368SS*.Hα-helixtrans-58.6-36.6177.5-176.8177.5173.8-178.3-2.6111.5L223 F224 S225 V230 L231L223-R227 PolarHBondContact O-N 3.41Å; F224-R227 PolarHBondContact O-N 3.1Å; S225-R227 VanDerWaalsContact C-N 3.34Å; S225-R227 PolarHBondContact O-N 3.38Å; R227-V230 PolarHBondContact O-N 3.48Å; R227-L231 HydrophobicContact CG-CD1 3.47Å; R227-L231 VanDerWaalsContact CG-CD1 3.47Å; R227-L231 HydrophobicContact CG-CG 4.11Å; R227-L231 WeakPolarHBondContact O-CB 3.4Å; R227-L231 PolarHBondContact O-N 3.15Å
228R70.6Confident67Low135 Ų13572.6 Ų72.651%0.50935%0.345SS..Hα-helixtrans-58.5-48.7173.8177.5178.7172.5177.3-1.2111.5F224 S225 C226 Y232 S234F224-R228 PolarHBondContact O-N 3Å; S225-R228 WeakPolarHBondContact O-CA 3.16Å; S225-R228 VanDerWaalsContact O-CB 3.28Å; S225-R228 WeakPolarHBondContact O-CB 3.2Å; S225-R228 PolarHBondContact O-N 2.86Å; S225-R228 VanDerWaalsContact O-N 3.13Å; C226-R228 PolarHBondContact O-N 3.43Å; R228-Y232 WeakPolarHBondContact O-CA 3.01Å; R228-Y232 VanDerWaalsContact O-CB 3.3Å; R228-Y232 WeakPolarHBondContact O-CB 3.3Å; R228-Y232 WeakPolarHBondContact O-CD2 2.98Å; R228-Y232 PolarHBondContact O-N 2.87Å; R228-S234 WeakPolarHBondContact CG-OG 3.31Å; R228-S234 PolarHBondContact NE-OG 3.46Å; R228-S234 VanDerWaalsContact NE-OG 3.1Å
229F75.5Confident68.6Low9 Ų968.6 Ų68.64%0.03933%0.326CS..Hα-helixtrans-76.9-21-179-57.9-49.9000114.8V200 A203 T207 S225 C226 R235 K238V200-F229 HydrophobicContact CG1-CB 4.38Å; A203-F229 HydrophobicContact CB-CD1 4.17Å; A203-F229 HydrophobicContact CB-CD2 4.19Å; A203-F229 HydrophobicContact CB-CE1 4.37Å; A203-F229 HydrophobicContact CB-CE2 4.4Å; A203-F229 HydrophobicContact CB-CG 4.08Å; A203-F229 HydrophobicContact CB-CZ 4.48Å; T207-F229 WeakPolarHBondContact OG1-CZ 3.08Å; S225-F229 WeakPolarHBondContact O-CD2 3.06Å; S225-F229 PolarHBondContact O-N 3.15Å; S225-F229 VanDerWaalsContact O-N 3.09Å; C226-F229 PolarHBondContact O-N 3.29Å; C226-F229 VanDerWaalsContact O-N 3.08Å; F229-R235 HydrophobicContact CB-CB 4.18Å; F229-R235 HydrophobicContact CB-CG 4.46Å; F229-R235 HydrophobicContact CD1-CB 4.21Å; F229-R235 PolarHBondContact O-NH1 3.07Å; F229-K238 HydrophobicContact CE1-CB 4Å; F229-K238 HydrophobicContact CE1-CG 4.27Å; F229-K238 HydrophobicContact CZ-CG 4.28Å
230V72.3Confident70.3Confident88 Ų8865.5 Ų65.553%0.53331%0.314SS..Hα-helixtrans-81.1-42.1175.2173.10000111.5V200 C226 R227V200-V230 HydrophobicContact CG1-CG2 3.77Å; V200-V230 HydrophobicContact CG2-CG2 4.15Å; C226-V230 VanDerWaalsContact O-CG2 3.29Å; C226-V230 WeakPolarHBondContact O-CG2 2.87Å; C226-V230 PolarHBondContact O-N 3.37Å; R227-V230 PolarHBondContact O-N 3.48Å
231L66.2Low72.1Confident95 Ų9565.3 Ų65.350%0.49731%0.31SS..Hα-helixtrans-99.9-26.2-170.2-62.6-179.7000114.6R227R227-L231 HydrophobicContact CG-CD1 3.47Å; R227-L231 VanDerWaalsContact CG-CD1 3.47Å; R227-L231 HydrophobicContact CG-CG 4.11Å; R227-L231 WeakPolarHBondContact O-CB 3.4Å; R227-L231 PolarHBondContact O-N 3.15Å
232Y62.2Low73.7Confident140 Ų14062.1 Ų62.155%0.54929%0.293SS..SBendtrans-116.4149.2-172.7-56.8-97.2000111.4R228 S234R228-Y232 WeakPolarHBondContact O-CA 3.01Å; R228-Y232 VanDerWaalsContact O-CB 3.3Å; R228-Y232 WeakPolarHBondContact O-CB 3.3Å; R228-Y232 WeakPolarHBondContact O-CD2 2.98Å; R228-Y232 PolarHBondContact O-N 2.87Å; Y232-S234 PolarHBondContact O-N 3.48Å
233D69.4Low75.3Confident78 Ų7862 Ų6242%0.41729%0.293SS..THydrogen-bonded Turntrans-67-5.9-177.8-58-44.2000113.7R181 R235 S236R181-D233 IonicContact NH1-OD1 2.73Å; D233-R235 PolarHBondContact O-N 2.78Å; D233-S236 PolarHBondContact O-N 2.83Å; D233-S236 VanDerWaalsContact O-N 3.12Å; D233-S236 PolarHBondContact O-OG 2.7Å
234S74.8Confident76.6Confident16 Ų1660.2 Ų60.211%0.11228%0.281CS..Hα-helixtrans-58.7-11.3174.461.90000115.3R228 Y232 K238R228-S234 WeakPolarHBondContact CG-OG 3.31Å; R228-S234 PolarHBondContact NE-OG 3.46Å; R228-S234 VanDerWaalsContact NE-OG 3.1Å; Y232-S234 PolarHBondContact O-N 3.48Å; S234-K238 PolarHBondContact O-N 3.01Å
235R84Confident77.7Confident18 Ų1856 Ų567%0.06827%0.269CS..Hα-helixtrans-60.7-47.7170.9177.6177.668.3-1495.8111.5G180 V200 A203 F229 D233 E237 K238 L239G180-R235 PolarHBondContact O-NH2 2.9Å; V200-R235 VanDerWaalsContact CG2-NH1 3.32Å; A203-R235 HydrophobicContact CB-CG 4.2Å; F229-R235 HydrophobicContact CB-CB 4.18Å; F229-R235 HydrophobicContact CB-CG 4.46Å; F229-R235 HydrophobicContact CD1-CB 4.21Å; F229-R235 PolarHBondContact O-NH1 3.07Å; D233-R235 PolarHBondContact O-N 2.78Å; R235-E237 VanDerWaalsContact C-N 3.34Å; R235-E237 PolarHBondContact O-N 2.83Å; R235-K238 PolarHBondContact O-N 2.95Å; R235-L239 HydrophobicContact CG-CD1 3.6Å; R235-L239 HydrophobicContact CG-CG 4.23Å; R235-L239 VanDerWaalsContact O-CG 3.27Å; R235-L239 WeakPolarHBondContact O-CG 3.41Å; R235-L239 PolarHBondContact O-N 2.8Å
236S89.2Confident78.3Confident11 Ų1155 Ų558%0.07726%0.262CS..Hα-helixtrans-64.9-41.2-175.758.30000111.2K176 D233 K238 L239 I240K176-S236 WeakPolarHBondContact O-CB 3.39Å; K176-S236 PolarHBondContact O-OG 3.44Å; D233-S236 PolarHBondContact O-N 2.83Å; D233-S236 VanDerWaalsContact O-N 3.12Å; D233-S236 PolarHBondContact O-OG 2.7Å; S236-K238 PolarHBondContact O-N 3.23Å; S236-L239 PolarHBondContact O-N 3.19Å; S236-I240 VanDerWaalsContact O-CG1 3.28Å; S236-I240 WeakPolarHBondContact O-CG1 3.01Å; S236-I240 PolarHBondContact O-N 3.19Å
237E87.9Confident79.1Confident111 Ų11154.3 Ų54.352%0.51926%0.257SS..Hα-helixtrans-57.4-47.6175.5-63.8-177.9153.100111.8R235 L239 I240 E241R235-E237 VanDerWaalsContact C-N 3.34Å; R235-E237 PolarHBondContact O-N 2.83Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.13Å; E237-I240 PolarHBondContact O-N 3.28Å; E237-E241 WeakPolarHBondContact O-CB 3.01Å; E237-E241 PolarHBondContact O-N 3.19Å
238K85.7Confident79.9Confident31 Ų3147.2 Ų47.214%0.13523%0.23CC..Hα-helixtrans-64.9-38.9177.8-176.157-177.8175.40111.9A203 G206 F229 S234 R235 S236 E241 L242A203-K238 HydrophobicContact CB-CG 4.35Å; G206-K238 WeakPolarHBondContact O-CE 3.06Å; F229-K238 HydrophobicContact CE1-CB 4Å; F229-K238 HydrophobicContact CE1-CG 4.27Å; F229-K238 HydrophobicContact CZ-CG 4.28Å; S234-K238 PolarHBondContact O-N 3.01Å; R235-K238 PolarHBondContact O-N 2.95Å; S236-K238 PolarHBondContact O-N 3.23Å; K238-E241 IonicContact NZ-OE1 3.68Å; K238-E241 PolarHBondContact NZ-OE1 2.97Å; K238-E241 IonicContact NZ-OE2 2.64Å; K238-E241 WeakPolarHBondContact O-CB 3.33Å; K238-E241 PolarHBondContact O-N 3.42Å; K238-L242 HydrophobicContact CD-CD1 4.49Å; K238-L242 HydrophobicContact CD-CG 4.34Å; K238-L242 HydrophobicContact CG-CD1 4.14Å; K238-L242 HydrophobicContact CG-CG 4.45Å; K238-L242 WeakPolarHBondContact O-CG 3.32Å; K238-L242 PolarHBondContact O-N 3.25Å
239L89.7Confident80.4Confident0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-67.1-43.9178.4-70.6167.9000112.2F179 L199 L202 A203 R235 S236 E237 E241 L242 F243F179-L239 HydrophobicContact CB-CD1 4.02Å; L199-L239 HydrophobicContact CB-CD1 3.81Å; L199-L239 HydrophobicContact CD1-CD1 3.87Å; L199-L239 HydrophobicContact CD2-CD1 4.29Å; L199-L239 HydrophobicContact CD2-CD2 4.29Å; L199-L239 HydrophobicContact CG-CD1 4.22Å; L202-L239 HydrophobicContact CB-CD2 4.16Å; L202-L239 HydrophobicContact CD2-CD2 3.92Å; L202-L239 HydrophobicContact CG-CD2 3.96Å; A203-L239 HydrophobicContact CB-CD2 4.01Å; A203-L239 HydrophobicContact CB-CG 4.16Å; R235-L239 HydrophobicContact CG-CD1 3.6Å; R235-L239 HydrophobicContact CG-CG 4.23Å; R235-L239 VanDerWaalsContact O-CG 3.27Å; R235-L239 WeakPolarHBondContact O-CG 3.41Å; R235-L239 PolarHBondContact O-N 2.8Å; S236-L239 PolarHBondContact O-N 3.19Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.13Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 PolarHBondContact O-N 3.5Å; L239-L242 PolarHBondContact O-N 2.92Å; L239-F243 HydrophobicContact CB-CE2 4.16Å; L239-F243 HydrophobicContact CB-CZ 4.39Å; L239-F243 HydrophobicContact CD2-CZ 4.44Å; L239-F243 WeakPolarHBondContact O-CB 3.28Å; L239-F243 WeakPolarHBondContact O-CD2 2.97Å; L239-F243 WeakPolarHBondContact O-CG 3.04Å; L239-F243 PolarHBondContact O-N 2.63Å
240I89.2Confident80.8Confident26 Ų2642.6 Ų42.613%0.13322%0.216CC..Hα-helixtrans-60.1-44.6175.2-67.7-59.2000110.3Q175 K176 F179 S236 E237 L242 F243 H244Q175-I240 HydrophobicContact CB-CD1 3.66Å; K176-I240 HydrophobicContact CG-CG1 4.04Å; F179-I240 HydrophobicContact CD2-CD1 3.59Å; F179-I240 HydrophobicContact CD2-CG1 4.47Å; F179-I240 HydrophobicContact CE2-CD1 3.85Å; S236-I240 VanDerWaalsContact O-CG1 3.28Å; S236-I240 WeakPolarHBondContact O-CG1 3.01Å; S236-I240 PolarHBondContact O-N 3.19Å; E237-I240 PolarHBondContact O-N 3.28Å; I240-L242 PolarHBondContact O-N 3.43Å; I240-F243 PolarHBondContact O-N 3.21Å; I240-H244 PolarHBondContact O-N 3.15Å; I240-H244 VanDerWaalsContact O-N 3.12Å; I240-H244 PolarHBondContact O-ND1 2.75Å
241E86.1Confident81.3Confident91 Ų9138.6 Ų38.643%0.42519%0.191SC..Hα-helixtrans-54.9-52.1173-175.4-159129.700110.8E237 K238 L239 F243 H244 S245E237-E241 WeakPolarHBondContact O-CB 3.01Å; E237-E241 PolarHBondContact O-N 3.19Å; K238-E241 IonicContact NZ-OE1 3.68Å; K238-E241 PolarHBondContact NZ-OE1 2.97Å; K238-E241 IonicContact NZ-OE2 2.64Å; K238-E241 WeakPolarHBondContact O-CB 3.33Å; K238-E241 PolarHBondContact O-N 3.42Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 PolarHBondContact O-N 3.5Å; E241-F243 PolarHBondContact O-N 3.13Å; E241-H244 PolarHBondContact O-N 3.07Å; E241-S245 WeakPolarHBondContact O-CB 3.43Å; E241-S245 PolarHBondContact O-N 3.34Å; E241-S245 PolarHBondContact O-OG 3.42Å
242L86.6Confident82.2Confident6 Ų637.3 Ų37.33%0.03118%0.18CC..Hα-helixtrans-62-44.3-179.7-69170.9000113K238 L239 I240 H244 S245 A246 L250K238-L242 HydrophobicContact CD-CD1 4.49Å; K238-L242 HydrophobicContact CD-CG 4.34Å; K238-L242 HydrophobicContact CG-CD1 4.14Å; K238-L242 HydrophobicContact CG-CG 4.45Å; K238-L242 WeakPolarHBondContact O-CG 3.32Å; K238-L242 PolarHBondContact O-N 3.25Å; L239-L242 PolarHBondContact O-N 2.92Å; I240-L242 PolarHBondContact O-N 3.43Å; L242-H244 VanDerWaalsContact C-N 3.25Å; L242-H244 PolarHBondContact O-N 2.75Å; L242-S245 PolarHBondContact O-N 3.29Å; L242-A246 HydrophobicContact CB-CB 4.37Å; L242-A246 HydrophobicContact CD2-CB 4.16Å; L242-A246 WeakPolarHBondContact O-CB 3.29Å; L242-A246 PolarHBondContact O-N 3.28Å; L242-L250 HydrophobicContact CD2-CD2 3.86Å
243F88.1Confident82.9Confident3 Ų332.7 Ų32.71%0.01317%0.168CC..Hα-helixtrans-60.6-38178.8-65.3-26.6000111.5F179 L199 L202 L239 I240 E241 F251 P469 Q471 I472F179-F243 HydrophobicContact CD1-CE2 4.12Å; F179-F243 HydrophobicContact CD2-CD2 4.25Å; F179-F243 AromaticContact CD2-CE2 3.79Å; F179-F243 HydrophobicContact CD2-CE2 3.79Å; F179-F243 HydrophobicContact CE1-CE2 4.03Å; F179-F243 AromaticContact CE2-CD2 3.94Å; F179-F243 HydrophobicContact CE2-CD2 3.94Å; F179-F243 AromaticContact CE2-CE2 3.64Å; F179-F243 HydrophobicContact CE2-CE2 3.64Å; F179-F243 HydrophobicContact CG-CE2 4.02Å; F179-F243 HydrophobicContact CZ-CD2 4.36Å; F179-F243 AromaticContact CZ-CE2 3.8Å; F179-F243 HydrophobicContact CZ-CE2 3.8Å; L199-F243 HydrophobicContact CD2-CZ 4.42Å; L202-F243 HydrophobicContact CD2-CE1 3.77Å; L202-F243 HydrophobicContact CD2-CZ 4.32Å; L239-F243 HydrophobicContact CB-CE2 4.16Å; L239-F243 HydrophobicContact CB-CZ 4.39Å; L239-F243 HydrophobicContact CD2-CZ 4.44Å; L239-F243 WeakPolarHBondContact O-CB 3.28Å; L239-F243 WeakPolarHBondContact O-CD2 2.97Å; L239-F243 WeakPolarHBondContact O-CG 3.04Å; L239-F243 PolarHBondContact O-N 2.63Å; I240-F243 PolarHBondContact O-N 3.21Å; E241-F243 PolarHBondContact O-N 3.13Å; F243-F251 AromaticContact CD1-CE1 3.89Å; F243-F251 HydrophobicContact CD1-CE1 3.89Å; F243-F251 HydrophobicContact CD1-CZ 4.02Å; F243-F251 HydrophobicContact CE1-CE1 4.04Å; F243-P469 HydrophobicContact CD1-CG 4.25Å; F243-P469 HydrophobicContact CD2-CG 4.18Å; F243-P469 HydrophobicContact CE1-CG 4.01Å; F243-P469 HydrophobicContact CE2-CB 4.45Å; F243-P469 HydrophobicContact CE2-CG 3.94Å; F243-P469 HydrophobicContact CG-CG 4.34Å; F243-P469 HydrophobicContact CZ-CG 3.86Å; F243-Q471 HydrophobicContact CB-CB 4.11Å; F243-Q471 HydrophobicContact CB-CG 4.13Å; F243-Q471 VanDerWaalsContact O-CB 3.27Å; F243-Q471 WeakPolarHBondContact O-CB 3.31Å; F243-I472 HydrophobicContact CD1-CD1 4.02Å; F243-I472 HydrophobicContact CD1-CG1 4.1Å; F243-I472 HydrophobicContact CE1-CG1 4.45Å
244H84.1Confident83.4Confident62 Ų6229.9 Ų29.929%0.28715%0.152SC..Hα-helixtrans-78.6-41.2177.8-70.988.4000113.2I240 E241 L242 Q471 R475 F666I240-H244 PolarHBondContact O-N 3.15Å; I240-H244 VanDerWaalsContact O-N 3.12Å; I240-H244 PolarHBondContact O-ND1 2.75Å; E241-H244 PolarHBondContact O-N 3.07Å; L242-H244 VanDerWaalsContact C-N 3.25Å; L242-H244 PolarHBondContact O-N 2.75Å; H244-Q471 PolarHBondContact CE1-NE2 2.83Å; H244-Q471 PolarHBondContact NE2-NE2 3.04Å; H244-R475 PolarHBondContact O-NH2 3.4Å; H244-F666 VanDerWaalsContact O-CD2 3.29Å; H244-F666 WeakPolarHBondContact O-CD2 3.42Å
245S79.1Confident83.6Confident48 Ų4831.2 Ų31.234%0.33616%0.155SC..Hα-helixtrans-104.7-28-166.672.30000115.2E241 L242E241-S245 WeakPolarHBondContact O-CB 3.43Å; E241-S245 PolarHBondContact O-N 3.34Å; E241-S245 PolarHBondContact O-OG 3.42Å; L242-S245 PolarHBondContact O-N 3.29Å
246A75.4Confident83.1Confident9 Ų931.4 Ų31.47%0.07416%0.159CC..SBendtrans-73.7146.4-167.500000113.1L242 L250 F251 R475L242-A246 HydrophobicContact CB-CB 4.37Å; L242-A246 HydrophobicContact CD2-CB 4.16Å; L242-A246 WeakPolarHBondContact O-CB 3.29Å; L242-A246 PolarHBondContact O-N 3.28Å; A246-L250 HydrophobicContact CB-CB 4.28Å; A246-L250 HydrophobicContact CB-CD2 3.46Å; A246-L250 VanDerWaalsContact CB-CD2 3.46Å; A246-L250 HydrophobicContact CB-CG 4.49Å; A246-F251 HydrophobicContact CB-CE2 3.94Å; A246-F251 HydrophobicContact CB-CZ 4.18Å; A246-R475 PolarHBondContact O-NE 3.01Å; A246-R475 PolarHBondContact O-NH1 3.47Å; A246-R475 VanDerWaalsContact O-NH1 3.13Å; A246-R475 PolarHBondContact O-NH2 3.37Å; A246-R475 VanDerWaalsContact O-NH2 3.13Å
247D78.4Confident82.1Confident13 Ų1332.4 Ų32.47%0.0716%0.163CC..  trans-63.3149.5175.3-163.3-59.6000111L249 L250 V662 L663D247-L249 PolarHBondContact O-N 3.08Å; D247-L249 VanDerWaalsContact O-N 3.12Å; D247-L249 WeakPolarHBondContact OD1-CG 3.47Å; D247-L249 PolarHBondContact OD1-N 3.02Å; D247-L250 WeakPolarHBondContact O-CB 3.44Å; D247-L250 PolarHBondContact O-N 3.14Å; D247-V662 PolarHBondContact OD2-N 2.9Å; D247-L663 PolarHBondContact OD2-N 3.39Å; D247-L663 VanDerWaalsContact OD2-N 3.15Å
248V83.1Confident80.7Confident2 Ų230.9 Ų30.91%0.01216%0.161CC..Hα-helixtrans-54.2-30.117476.60000111.9L250 F251 R252 I349 P379 R475 A479 L663V248-L250 VanDerWaalsContact C-N 3.28Å; V248-L250 PolarHBondContact O-N 3.47Å; V248-F251 PolarHBondContact O-N 3.4Å; V248-F251 VanDerWaalsContact O-N 3.12Å; V248-R252 PolarHBondContact O-N 3.08Å; V248-I349 HydrophobicContact CG2-CB 4.26Å; V248-I349 HydrophobicContact CG2-CD1 3.44Å; V248-I349 VanDerWaalsContact CG2-CD1 3.44Å; V248-I349 HydrophobicContact CG2-CG1 4.41Å; V248-I349 HydrophobicContact CG2-CG2 3.83Å; V248-P379 HydrophobicContact CG1-CG 4.11Å; V248-R475 HydrophobicContact CB-CB 4.49Å; V248-R475 HydrophobicContact CG2-CB 4.2Å; V248-A479 HydrophobicContact CG2-CB 4.35Å; V248-L663 HydrophobicContact CB-CD1 3.89Å; V248-L663 HydrophobicContact CG1-CD1 3.66Å
249L81.8Confident79.4Confident47 Ų4731.9 Ų31.925%0.24617%0.167CC..Hα-helixtrans-63.4-27.5177.3-66.1179000113.9W209 D247 F251 S253W209-L249 HydrophobicContact CH2-CB 4.32Å; W209-L249 HydrophobicContact CZ2-CB 3.86Å; D247-L249 PolarHBondContact O-N 3.08Å; D247-L249 VanDerWaalsContact O-N 3.12Å; D247-L249 WeakPolarHBondContact OD1-CG 3.47Å; D247-L249 PolarHBondContact OD1-N 3.02Å; L249-F251 VanDerWaalsContact C-N 3.35Å; L249-S253 WeakPolarHBondContact O-CB 3.45Å; L249-S253 PolarHBondContact O-N 2.84Å; L249-S253 PolarHBondContact O-OG 3.35Å
250L82.8Confident77.7Confident0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-62.6-46.7172.7172.764000110L205 W209 L242 A246 D247 V248 S253 F254L205-L250 HydrophobicContact CD2-CD1 3.72Å; L205-L250 HydrophobicContact CG-CD1 3.77Å; W209-L250 HydrophobicContact CB-CD1 4.05Å; W209-L250 HydrophobicContact CD2-CB 4.04Å; W209-L250 HydrophobicContact CD2-CD1 3.66Å; W209-L250 HydrophobicContact CD2-CG 4.41Å; W209-L250 HydrophobicContact CE3-CD1 3.69Å; W209-L250 HydrophobicContact CG-CB 4.32Å; W209-L250 HydrophobicContact CG-CD1 3.81Å; W209-L250 HydrophobicContact CG-CG 4.46Å; W209-L250 HydrophobicContact CZ2-CB 4.24Å; W209-L250 HydrophobicContact CZ3-CD1 4.41Å; L242-L250 HydrophobicContact CD2-CD2 3.86Å; A246-L250 HydrophobicContact CB-CB 4.28Å; A246-L250 HydrophobicContact CB-CD2 3.46Å; A246-L250 VanDerWaalsContact CB-CD2 3.46Å; A246-L250 HydrophobicContact CB-CG 4.49Å; D247-L250 WeakPolarHBondContact O-CB 3.44Å; D247-L250 PolarHBondContact O-N 3.14Å; V248-L250 VanDerWaalsContact C-N 3.28Å; V248-L250 PolarHBondContact O-N 3.47Å; L250-S253 PolarHBondContact O-N 3Å; L250-F254 WeakPolarHBondContact O-CB 3.27Å; L250-F254 PolarHBondContact O-N 3.15Å
251F83.8Confident75.1Confident4 Ų437.4 Ų37.42%0.01819%0.191CC..Hα-helixtrans-71.7-37.9-177.8-59.1-75.3000111.6L202 F243 A246 V248 L249 S253 F254 W255 I349 I472L202-F251 HydrophobicContact CD1-CE1 4.31Å; L202-F251 HydrophobicContact CD2-CE1 4.2Å; F243-F251 AromaticContact CD1-CE1 3.89Å; F243-F251 HydrophobicContact CD1-CE1 3.89Å; F243-F251 HydrophobicContact CD1-CZ 4.02Å; F243-F251 HydrophobicContact CE1-CE1 4.04Å; A246-F251 HydrophobicContact CB-CE2 3.94Å; A246-F251 HydrophobicContact CB-CZ 4.18Å; V248-F251 PolarHBondContact O-N 3.4Å; V248-F251 VanDerWaalsContact O-N 3.12Å; L249-F251 VanDerWaalsContact C-N 3.35Å; F251-S253 VanDerWaalsContact C-N 3.34Å; F251-S253 PolarHBondContact O-N 3.42Å; F251-F254 PolarHBondContact O-N 2.84Å; F251-W255 WeakPolarHBondContact O-CB 3.43Å; F251-W255 PolarHBondContact O-N 3.04Å; F251-I349 HydrophobicContact CB-CD1 4.33Å; F251-I472 HydrophobicContact CD1-CD1 3.63Å; F251-I472 HydrophobicContact CD1-CG1 4.22Å; F251-I472 HydrophobicContact CD2-CD1 3.59Å; F251-I472 HydrophobicContact CE1-CD1 3.3Å; F251-I472 HydrophobicContact CE1-CG1 4.06Å; F251-I472 HydrophobicContact CE2-CD1 3.25Å; F251-I472 HydrophobicContact CG-CD1 3.77Å; F251-I472 HydrophobicContact CG-CG2 4.42Å; F251-I472 HydrophobicContact CZ-CD1 3.13Å; F251-I472 HydrophobicContact CZ-CG1 4.31Å
252R84.2Confident73.3Confident67 Ų6734.3 Ų34.325%0.25318%0.179SC..Hα-helixtrans-54.2-51.6168172.3176.9-173.7-179.4-7.1111.7V248 F254 S256 I349 A350 E380V248-R252 PolarHBondContact O-N 3.08Å; R252-F254 VanDerWaalsContact C-N 3.3Å; R252-F254 PolarHBondContact O-N 2.84Å; R252-S256 VanDerWaalsContact O-CB 3.29Å; R252-S256 WeakPolarHBondContact O-CB 3.29Å; R252-S256 PolarHBondContact O-N 2.85Å; R252-S256 PolarHBondContact O-OG 3.43Å; R252-I349 WeakPolarHBondContact CB-O 3.46Å; R252-I349 WeakPolarHBondContact CD-O 3.48Å; R252-I349 WeakPolarHBondContact CG-O 3.42Å; R252-I349 PolarHBondContact NE-O 3.05Å; R252-A350 HydrophobicContact CB-CB 4.35Å; R252-A350 HydrophobicContact CG-CB 4.27Å; R252-E380 IonicContact CZ-OE1 3.74Å; R252-E380 VanDerWaalsContact NH1-CD 3.35Å; R252-E380 IonicContact NH1-OE1 2.95Å; R252-E380 PolarHBondContact NH1-OE1 2.99Å; R252-E380 IonicContact NH1-OE2 3.81Å; R252-E380 PolarHBondContact NH1-OE2 3.14Å
253S77.4Confident71.8Confident44 Ų4437.6 Ų37.631%0.30820%0.196SC..Hα-helixtrans-61-42.6179.5-58.40000111W209 L249 L250 F251 L257W209-S253 WeakPolarHBondContact CH2-OG 3.41Å; L249-S253 WeakPolarHBondContact O-CB 3.45Å; L249-S253 PolarHBondContact O-N 2.84Å; L249-S253 PolarHBondContact O-OG 3.35Å; L250-S253 PolarHBondContact O-N 3Å; F251-S253 VanDerWaalsContact C-N 3.34Å; F251-S253 PolarHBondContact O-N 3.42Å; S253-L257 WeakPolarHBondContact O-CG 2.98Å; S253-L257 PolarHBondContact O-N 3.25Å
254F79.1Confident70.3Confident18 Ų1839.1 Ų39.18%0.07921%0.206CC..Hα-helixtrans-65.7-50-179.6-176.3-105.2000113.2M198 A201 L202 L205 L250 F251 R252 S256 L257M198-F254 HydrophobicContact CB-CZ 4.49Å; M198-F254 HydrophobicContact CG-CE1 3.58Å; M198-F254 HydrophobicContact CG-CZ 3.46Å; M198-F254 VanDerWaalsContact CG-CZ 3.46Å; M198-F254 VanDerWaalsContact O-CZ 3.29Å; M198-F254 WeakPolarHBondContact O-CZ 3.48Å; M198-F254 HydrophobicContact SD-CE1 4.27Å; A201-F254 HydrophobicContact CB-CE2 4.02Å; L202-F254 HydrophobicContact CB-CD2 4.11Å; L202-F254 HydrophobicContact CB-CE1 4.2Å; L202-F254 HydrophobicContact CB-CE2 3.72Å; L202-F254 HydrophobicContact CB-CZ 3.78Å; L202-F254 HydrophobicContact CD1-CB 4.1Å; L202-F254 HydrophobicContact CD1-CD1 4.08Å; L202-F254 HydrophobicContact CD1-CD2 3.85Å; L202-F254 HydrophobicContact CD1-CE2 4.35Å; L202-F254 HydrophobicContact CD1-CG 3.72Å; L205-F254 HydrophobicContact CD2-CB 3.94Å; L205-F254 HydrophobicContact CD2-CD2 3.91Å; L205-F254 HydrophobicContact CD2-CG 4.43Å; L250-F254 WeakPolarHBondContact O-CB 3.27Å; L250-F254 PolarHBondContact O-N 3.15Å; F251-F254 PolarHBondContact O-N 2.84Å; R252-F254 VanDerWaalsContact C-N 3.3Å; R252-F254 PolarHBondContact O-N 2.84Å; F254-S256 VanDerWaalsContact C-N 3.25Å; F254-S256 PolarHBondContact O-N 3.38Å; F254-L257 HydrophobicContact CD2-CD1 3.54Å; F254-L257 HydrophobicContact CE2-CD1 3.9Å; F254-L257 HydrophobicContact CG-CD1 4.37Å; F254-L257 WeakPolarHBondContact O-CB 3.44Å; F254-L257 VanDerWaalsContact O-CG 3.32Å; F254-L257 WeakPolarHBondContact O-CG 3.41Å; F254-L257 PolarHBondContact O-N 2.86Å; F254-L257 VanDerWaalsContact O-N 3.08Å
255W80.6Confident68.8Low45 Ų4539 Ų3917%0.1721%0.209CC..Hα-helixtrans-66.7-29.6178.9-70-24.9000112.5F251 L257 I349 A350 I472F251-W255 WeakPolarHBondContact O-CB 3.43Å; F251-W255 PolarHBondContact O-N 3.04Å; W255-L257 VanDerWaalsContact C-N 3.28Å; W255-L257 PolarHBondContact O-N 3.47Å; W255-I349 HydrophobicContact CE3-CD1 4.11Å; W255-I349 HydrophobicContact CE3-CG1 4.24Å; W255-I349 HydrophobicContact CZ3-CD1 3.75Å; W255-I349 HydrophobicContact CZ3-CG1 3.95Å; W255-A350 HydrophobicContact CB-CB 3.99Å; W255-A350 HydrophobicContact CE3-CB 3.93Å; W255-I472 HydrophobicContact CH2-CG2 3.46Å; W255-I472 VanDerWaalsContact CH2-CG2 3.46Å; W255-I472 HydrophobicContact CZ2-CG2 3.7Å; W255-I472 HydrophobicContact CZ3-CG2 4.45Å
256S73.7Confident67.7Low21 Ų2140.5 Ų40.515%0.14721%0.213CC..G310 helixtrans-81.6-1.2174.7-43.70000113R252 F254 T258 E259 T351R252-S256 VanDerWaalsContact O-CB 3.29Å; R252-S256 WeakPolarHBondContact O-CB 3.29Å; R252-S256 PolarHBondContact O-N 2.85Å; R252-S256 PolarHBondContact O-OG 3.43Å; F254-S256 VanDerWaalsContact C-N 3.25Å; F254-S256 PolarHBondContact O-N 3.38Å; S256-T258 PolarHBondContact O-N 3.33Å; S256-T258 VanDerWaalsContact O-N 3.17Å; S256-E259 WeakPolarHBondContact O-CA 2.96Å; S256-E259 VanDerWaalsContact O-CB 3.26Å; S256-E259 WeakPolarHBondContact O-CB 3.24Å; S256-E259 PolarHBondContact O-N 2.95Å; S256-T351 PolarHBondContact OG-N 3.44Å
257L67.7Low66.9Low32 Ų3244.5 Ų44.517%0.16823%0.226CC..G310 helixtrans-57.9-33.1178.6-78.5173.4000112.4L205 S253 F254 W255 E259 T260 I642L205-L257 HydrophobicContact CD2-CD1 4.46Å; S253-L257 WeakPolarHBondContact O-CG 2.98Å; S253-L257 PolarHBondContact O-N 3.25Å; F254-L257 HydrophobicContact CD2-CD1 3.54Å; F254-L257 HydrophobicContact CE2-CD1 3.9Å; F254-L257 HydrophobicContact CG-CD1 4.37Å; F254-L257 WeakPolarHBondContact O-CB 3.44Å; F254-L257 VanDerWaalsContact O-CG 3.32Å; F254-L257 WeakPolarHBondContact O-CG 3.41Å; F254-L257 PolarHBondContact O-N 2.86Å; F254-L257 VanDerWaalsContact O-N 3.08Å; W255-L257 VanDerWaalsContact C-N 3.28Å; W255-L257 PolarHBondContact O-N 3.47Å; L257-E259 PolarHBondContact O-N 3.24Å; L257-T260 WeakPolarHBondContact O-CB 3.33Å; L257-T260 PolarHBondContact O-N 3.46Å; L257-T260 PolarHBondContact O-OG1 2.9Å; L257-I642 HydrophobicContact CD2-CG1 4.49Å
258T58.2Low66.2Low79 Ų7951.1 Ų51.149%0.48525%0.254SS..G310 helixtrans-66.6-18.6177.659.10000113.2S256 T260S256-T258 PolarHBondContact O-N 3.33Å; S256-T258 VanDerWaalsContact O-N 3.17Å; T258-T260 VanDerWaalsContact C-N 3.33Å
259E58.1Low65.2Low52 Ų5257.7 Ų57.724%0.24329%0.288CS..G310 helixtrans-84.4-8.3173.1-53.8-178.3159.500112.8S256 L257 T264 T351 S352 T355S256-E259 WeakPolarHBondContact O-CA 2.96Å; S256-E259 VanDerWaalsContact O-CB 3.26Å; S256-E259 WeakPolarHBondContact O-CB 3.24Å; S256-E259 PolarHBondContact O-N 2.95Å; L257-E259 PolarHBondContact O-N 3.24Å; E259-T264 VanDerWaalsContact C-CG2 3.43Å; E259-T264 WeakPolarHBondContact O-CG2 3.27Å; E259-T351 VanDerWaalsContact OE1-CA 3.25Å; E259-T351 WeakPolarHBondContact OE1-CA 3.32Å; E259-S352 VanDerWaalsContact CD-OG 3.22Å; E259-S352 VanDerWaalsContact OE1-CB 3.31Å; E259-S352 WeakPolarHBondContact OE1-CB 3.27Å; E259-S352 PolarHBondContact OE1-N 2.67Å; E259-S352 PolarHBondContact OE1-OG 2.9Å; E259-T355 HydrophobicContact CG-CG2 3.42Å; E259-T355 VanDerWaalsContact CG-CG2 3.42Å; E259-T355 VanDerWaalsContact OE1-CG2 3.3Å; E259-T355 WeakPolarHBondContact OE1-CG2 3.48Å
260T53.7Low64.1Low17 Ų1762 Ų6210%0.10431%0.311CS..SBendtrans-83.3149.8-176.767.20000112.2L257 T258 L263 T264 F645L257-T260 WeakPolarHBondContact O-CB 3.33Å; L257-T260 PolarHBondContact O-N 3.46Å; L257-T260 PolarHBondContact O-OG1 2.9Å; T258-T260 VanDerWaalsContact C-N 3.33Å; T260-L263 PolarHBondContact O-N 2.7Å; T260-T264 PolarHBondContact O-N 2.75Å; T260-F645 HydrophobicContact CG2-CE1 4.23Å; T260-F645 HydrophobicContact CG2-CE2 4.23Å; T260-F645 HydrophobicContact CG2-CZ 3.95Å
261F35.2Very low63Low126 Ų12663.6 Ų63.655%0.55333%0.326SS*.THydrogen-bonded Turntrans-67.2131.4168179-88.8000109.3V265F261-V265 HydrophobicContact CD2-CB 4.48Å; F261-V265 HydrophobicContact CD2-CG2 3.61Å; F261-V265 HydrophobicContact CE2-CB 4.33Å; F261-V265 HydrophobicContact CE2-CG2 3.57Å
262P47.8Very low62Low26 Ų2666.5 Ų66.517%0.16935%0.346CS..THydrogen-bonded Turncis-104.74.518.538.8-30.3000113.9T264 V265 I266 C641P262-T264 VanDerWaalsContact C-N 3.27Å; P262-T264 PolarHBondContact O-N 3.37Å; P262-V265 PolarHBondContact O-N 3.34Å; P262-I266 PolarHBondContact O-N 3.46Å; P262-C641 HydrophobicContact CG-CB 4.11Å
263L54.8Low61.2Low75 Ų7568.4 Ų68.439%0.39337%0.369SS..Hα-helixtrans-60.2-37.9-177-68.9173.5000111.7T260 V265 I266 R267T260-L263 PolarHBondContact O-N 2.7Å; L263-V265 VanDerWaalsContact C-N 3.32Å; L263-V265 PolarHBondContact O-N 3.4Å; L263-I266 PolarHBondContact O-N 2.82Å; L263-R267 WeakPolarHBondContact O-CB 3.42Å; L263-R267 PolarHBondContact O-N 2.69Å
264T56.4Low61.2Low35 Ų3567.5 Ų67.522%0.21536%0.361CS..Hα-helixtrans-62.8-3517349.90000113.3E259 T260 P262 K268E259-T264 VanDerWaalsContact C-CG2 3.43Å; E259-T264 WeakPolarHBondContact O-CG2 3.27Å; T260-T264 PolarHBondContact O-N 2.75Å; P262-T264 VanDerWaalsContact C-N 3.27Å; P262-T264 PolarHBondContact O-N 3.37Å; T264-K268 WeakPolarHBondContact O-CB 3.41Å; T264-K268 VanDerWaalsContact O-CG 3.26Å; T264-K268 WeakPolarHBondContact O-CG 3.43Å; T264-K268 PolarHBondContact O-N 2.67Å
265V53.4Low61.3Low58 Ų5871 Ų7135%0.35239%0.385SS..Hα-helixtrans-74-42.4176.7172.30000111.1F261 P262 L263 R267 K268 L269F261-V265 HydrophobicContact CD2-CB 4.48Å; F261-V265 HydrophobicContact CD2-CG2 3.61Å; F261-V265 HydrophobicContact CE2-CB 4.33Å; F261-V265 HydrophobicContact CE2-CG2 3.57Å; P262-V265 PolarHBondContact O-N 3.34Å; L263-V265 VanDerWaalsContact C-N 3.32Å; L263-V265 PolarHBondContact O-N 3.4Å; V265-R267 VanDerWaalsContact C-N 3.28Å; V265-R267 PolarHBondContact O-N 2.78Å; V265-K268 PolarHBondContact O-N 3.35Å; V265-L269 HydrophobicContact CG1-CD1 3.72Å; V265-L269 HydrophobicContact CG1-CG 4.13Å; V265-L269 WeakPolarHBondContact O-CB 3.42Å; V265-L269 VanDerWaalsContact O-CG 3.25Å; V265-L269 WeakPolarHBondContact O-CG 3.34Å; V265-L269 PolarHBondContact O-N 3.39Å
266I56.5Low61.5Low80 Ų8069.1 Ų69.141%0.4138%0.379SS..Hα-helixtrans-58.5-44.3173.9-66.9171.4000109.8P262 L263 L269 I270P262-I266 PolarHBondContact O-N 3.46Å; L263-I266 PolarHBondContact O-N 2.82Å; I266-L269 PolarHBondContact O-N 2.61Å; I266-I270 HydrophobicContact CG2-CD1 3.56Å; I266-I270 HydrophobicContact CG2-CG1 4.43Å; I266-I270 WeakPolarHBondContact O-CB 3.35Å; I266-I270 VanDerWaalsContact O-CG1 3.28Å; I266-I270 WeakPolarHBondContact O-CG1 3.28Å; I266-I270 PolarHBondContact O-N 3.47Å
267R59.2Low62.1Low94 Ų9471.2 Ų71.236%0.35539%0.388SS..Hα-helixtrans-61.2-46.2174.8-171.6-176.6-178.1162.68.4112.1L263 V265 L269 I270 G271 D354 T355 E357L263-R267 WeakPolarHBondContact O-CB 3.42Å; L263-R267 PolarHBondContact O-N 2.69Å; V265-R267 VanDerWaalsContact C-N 3.28Å; V265-R267 PolarHBondContact O-N 2.78Å; R267-L269 VanDerWaalsContact C-N 3.32Å; R267-L269 PolarHBondContact O-N 3.14Å; R267-I270 PolarHBondContact O-N 2.68Å; R267-G271 WeakPolarHBondContact O-CA 3.46Å; R267-G271 PolarHBondContact O-N 3.21Å; R267-D354 PolarHBondContact NH1-O 2.81Å; R267-D354 VanDerWaalsContact NH1-O 3.08Å; R267-T355 VanDerWaalsContact CZ-O 3.32Å; R267-T355 PolarHBondContact NH1-O 2.94Å; R267-T355 PolarHBondContact NH2-O 3.21Å; R267-E357 PolarHBondContact NH2-O 2.8Å
268K62.8Low63.2Low151 Ų15174.1 Ų74.166%0.65740%0.4SS*.Hα-helixtrans-67-28.9177.8-76177.5-179.1-178.30113.7T264 V265T264-K268 WeakPolarHBondContact O-CB 3.41Å; T264-K268 VanDerWaalsContact O-CG 3.26Å; T264-K268 WeakPolarHBondContact O-CG 3.43Å; T264-K268 PolarHBondContact O-N 2.67Å; V265-K268 PolarHBondContact O-N 3.35Å
269L61.1Low64.7Low140 Ų14073 Ų7373%0.73339%0.393SS*.Hα-helixtrans-78.8-37.7177.6-76170.6000112.5V265 I266 R267V265-L269 HydrophobicContact CG1-CD1 3.72Å; V265-L269 HydrophobicContact CG1-CG 4.13Å; V265-L269 WeakPolarHBondContact O-CB 3.42Å; V265-L269 VanDerWaalsContact O-CG 3.25Å; V265-L269 WeakPolarHBondContact O-CG 3.34Å; V265-L269 PolarHBondContact O-N 3.39Å; I266-L269 PolarHBondContact O-N 2.61Å; R267-L269 VanDerWaalsContact C-N 3.32Å; R267-L269 PolarHBondContact O-N 3.14Å
270I58.8Low66.3Low139 Ų13971.9 Ų71.971%0.71339%0.387SS*.Hα-helixtrans-87.1-32.4-178.3-62.1172.7000111.1I266 R267I266-I270 HydrophobicContact CG2-CD1 3.56Å; I266-I270 HydrophobicContact CG2-CG1 4.43Å; I266-I270 WeakPolarHBondContact O-CB 3.35Å; I266-I270 VanDerWaalsContact O-CG1 3.28Å; I266-I270 WeakPolarHBondContact O-CG1 3.28Å; I266-I270 PolarHBondContact O-N 3.47Å; R267-I270 PolarHBondContact O-N 2.68Å
271G60.9Low68.3Low32 Ų3275.3 Ų75.333%0.3341%0.408SS..SBendtrans-75.7142.6-175.400000113.1R267R267-G271 WeakPolarHBondContact O-CA 3.46Å; R267-G271 PolarHBondContact O-N 3.21Å
272P62.1Low71.1Confident65 Ų6569.6 Ų69.642%0.42238%0.383SS..PPolyproline II helixtrans-61138.2170.424.3-32.6000111.2A360P272-A360 HydrophobicContact CB-CB 3.78Å; P272-A360 HydrophobicContact CG-CB 3.45Å; P272-A360 VanDerWaalsContact CG-CB 3.45Å
273S68.7Low73.4Confident108 Ų10870.3 Ų70.376%0.75539%0.389SS*.PPolyproline II helixtrans-69.6135.2176.563.10000111.5
274I77Confident75.2Confident24 Ų2467.8 Ų67.812%0.12338%0.377CS..PPolyproline II helixtrans-94.4126.1172.8-56.5163.4000107.8V276 I317 S318 A360 I363I274-V276 VanDerWaalsContact C-N 3.33Å; I274-V276 WeakPolarHBondContact CG2-O 3.4Å; I274-V276 PolarHBondContact O-N 2.62Å; I274-I317 HydrophobicContact CD1-CG2 4.13Å; I274-I317 HydrophobicContact CG2-CG2 3.93Å; I274-S318 WeakPolarHBondContact CG2-O 3.39Å; I274-A360 HydrophobicContact CD1-CB 4.46Å; I274-A360 HydrophobicContact CG1-CB 3.61Å; I274-I363 HydrophobicContact CD1-CD1 3.49Å; I274-I363 VanDerWaalsContact CD1-CD1 3.49Å; I274-I363 HydrophobicContact CG1-CD1 4.36Å
275P80.4Confident76.9Confident91 Ų9172.9 Ų72.959%0.59140%0.403SS*.SBendtrans-57.6-39.7-175.9-30.739.2000114.9S319P275-S319 WeakPolarHBondContact CG-O 3.47Å
276V85.6Confident78.8Confident7 Ų774.9 Ų74.94%0.04241%0.408CS..EExtended strand (participates in β ladder)trans-117.3111.3174.3-175.30000108I274 I317 S318 L325I274-V276 VanDerWaalsContact C-N 3.33Å; I274-V276 WeakPolarHBondContact CG2-O 3.4Å; I274-V276 PolarHBondContact O-N 2.62Å; V276-I317 CarbonylContact O-C 3.5Å; V276-I317 VanDerWaalsContact O-CA 3.31Å; V276-I317 WeakPolarHBondContact O-CA 3.47Å; V276-S318 WeakPolarHBondContact CB-O 3.03Å; V276-S318 PolarHBondContact N-O 3.45Å; V276-S318 PolarHBondContact O-N 3.14Å; V276-L325 HydrophobicContact CB-CD2 4.33Å; V276-L325 HydrophobicContact CG1-CD2 4.01Å; V276-L325 HydrophobicContact CG2-CD2 3.76Å
277N86.8Confident80.5Confident65 Ų6573.7 Ų73.735%0.34841%0.407SS..EExtended strand (participates in β ladder)trans-143.489.9172.9-175.7-6.8000106.8K315 L316 E357N277-K315 WeakPolarHBondContact OD1-CE 3.24Å; N277-L316 WeakPolarHBondContact CA-O 3.38Å; N277-E357 PolarHBondContact ND2-OE1 3.49Å
278F88.9Confident82.3Confident93 Ų9370.3 Ų70.341%0.40840%0.395SS..EExtended strand (participates in β ladder)trans-126.4128.1-169.8-173.4-105000111F280 L316 L326F278-F280 HydrophobicContact CD1-CB 4.12Å; F278-F280 AromaticContact CD1-CD1 3.88Å; F278-F280 HydrophobicContact CD1-CD1 3.88Å; F278-F280 HydrophobicContact CD1-CG 4.35Å; F278-F280 HydrophobicContact CE1-CB 3.65Å; F278-F280 HydrophobicContact CE1-CD1 4.2Å; F278-F280 HydrophobicContact CE1-CG 4.2Å; F278-L316 PolarHBondContact N-O 3.17Å; F278-L316 PolarHBondContact O-N 2.69Å; F278-L326 HydrophobicContact CB-CD1 4.03Å; F278-L326 HydrophobicContact CB-CD2 4.48Å; F278-L326 HydrophobicContact CD1-CD1 4.17Å; F278-L326 HydrophobicContact CD1-CD2 3.4Å; F278-L326 VanDerWaalsContact CD1-CD2 3.4Å; F278-L326 HydrophobicContact CD1-CG 4.44Å; F278-L326 HydrophobicContact CD2-CD1 4.45Å; F278-L326 HydrophobicContact CE1-CD2 3.76Å; F278-L326 HydrophobicContact CG-CD1 3.97Å; F278-L326 HydrophobicContact CG-CD2 4.07Å
279V90.4Very high83.8Confident55 Ų5567.9 Ų67.933%0.33339%0.386SS..EExtended strand (participates in β ladder)trans-103.4132.8177.1172.80000108.5R313 L314 K315V279-R313 HydrophobicContact CG1-CG 3.84Å; V279-L314 WeakPolarHBondContact CA-O 3.49Å; V279-K315 HydrophobicContact CG2-CB 4.28Å; V279-K315 HydrophobicContact CG2-CD 4.25Å; V279-K315 HydrophobicContact CG2-CG 3.89Å
280F92.3Very high85.4Confident28 Ų2861.5 Ų61.512%0.12335%0.352CS..EExtended strand (participates in β ladder)trans-147.3173.9176.366.3-74.5000110.6F278 I282 R313 L314 L316 W396 F403F278-F280 HydrophobicContact CD1-CB 4.12Å; F278-F280 AromaticContact CD1-CD1 3.88Å; F278-F280 HydrophobicContact CD1-CD1 3.88Å; F278-F280 HydrophobicContact CD1-CG 4.35Å; F278-F280 HydrophobicContact CE1-CB 3.65Å; F278-F280 HydrophobicContact CE1-CD1 4.2Å; F278-F280 HydrophobicContact CE1-CG 4.2Å; F280-I282 HydrophobicContact CD2-CG2 4.34Å; F280-I282 HydrophobicContact CE2-CG2 3.8Å; F280-R313 WeakPolarHBondContact O-CA 3.45Å; F280-L314 HydrophobicContact CE1-CB 3.92Å; F280-L314 HydrophobicContact CE2-CB 4.3Å; F280-L314 HydrophobicContact CE2-CD1 4.13Å; F280-L314 HydrophobicContact CZ-CB 3.8Å; F280-L314 HydrophobicContact CZ-CD1 3.91Å; F280-L314 HydrophobicContact CZ-CG 4.46Å; F280-L314 PolarHBondContact N-O 2.67Å; F280-L314 PolarHBondContact O-N 2.67Å; F280-L314 VanDerWaalsContact O-O 3.11Å; F280-L316 HydrophobicContact CE1-CB 3.93Å; F280-W396 AromaticContact CE2-CH2 3.38Å; F280-W396 HydrophobicContact CE2-CH2 3.38Å; F280-W396 AromaticContact CE2-CZ2 3.61Å; F280-W396 HydrophobicContact CE2-CZ2 3.61Å; F280-W396 HydrophobicContact CE2-CZ3 4.1Å; F280-W396 AromaticContact CZ-CH2 3.32Å; F280-W396 HydrophobicContact CZ-CH2 3.32Å; F280-W396 HydrophobicContact CZ-CZ2 4.06Å; F280-W396 AromaticContact CZ-CZ3 3.78Å; F280-W396 HydrophobicContact CZ-CZ3 3.78Å; F280-F403 HydrophobicContact CE2-CE1 4.19Å; F280-F403 HydrophobicContact CZ-CE1 4.29Å
281T95.3Very high87.1Confident90 Ų9059.7 Ų59.755%0.55234%0.341SS*.EExtended strand (participates in β ladder)trans-122.2144.7177.353.10000110.4P311 L312 R313T281-P311 HydrophobicContact CG2-CB 4.42Å; T281-L312 CarbonylContact C-O 3.46Å; T281-L312 VanDerWaalsContact CA-O 3.24Å; T281-L312 WeakPolarHBondContact CA-O 3.28Å; T281-R313 HydrophobicContact CG2-CB 4.17Å
282I95Very high88.6Confident5 Ų558.9 Ų58.93%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-98140.8170.563173.1000109.6F280 P311 L312 L314 Y392 W396F280-I282 HydrophobicContact CD2-CG2 4.34Å; F280-I282 HydrophobicContact CE2-CG2 3.8Å; I282-P311 WeakPolarHBondContact O-CA 3.49Å; I282-L312 HydrophobicContact CD1-CB 4.11Å; I282-L312 HydrophobicContact CD1-CD2 3.98Å; I282-L312 HydrophobicContact CD1-CG 4.45Å; I282-L312 HydrophobicContact CG1-CB 3.69Å; I282-L312 HydrophobicContact CG1-CD2 4.46Å; I282-L312 HydrophobicContact CG1-CG 4.4Å; I282-L312 PolarHBondContact N-O 3.44Å; I282-L312 PolarHBondContact O-N 2.64Å; I282-L314 HydrophobicContact CD1-CD1 4.3Å; I282-L314 HydrophobicContact CG2-CD1 3.79Å; I282-Y392 HydrophobicContact CD1-CD1 3.5Å; I282-Y392 HydrophobicContact CD1-CE1 3.41Å; I282-Y392 VanDerWaalsContact CD1-CE1 3.41Å; I282-Y392 HydrophobicContact CG1-CD1 4.34Å; I282-Y392 HydrophobicContact CG1-CE1 3.92Å; I282-W396 HydrophobicContact CD1-CB 4.12Å; I282-W396 HydrophobicContact CD1-CG 4.04Å; I282-W396 HydrophobicContact CG2-CD2 3.79Å; I282-W396 VanDerWaalsContact CG2-CE2 3.44Å; I282-W396 HydrophobicContact CG2-CE3 4.41Å; I282-W396 HydrophobicContact CG2-CG 4.03Å; I282-W396 HydrophobicContact CG2-CZ2 3.9Å
283S94.6Very high90Very high41 Ų4161.7 Ų61.729%0.28734%0.335SS..  trans-66.8134.8-174.7177.20000110.7N285 Y392S283-N285 PolarHBondContact O-N 2.64Å; S283-N285 PolarHBondContact OG-N 3.5Å; S283-Y392 PolarHBondContact O-OH 2.61Å
284P92.5Very high91Very high22 Ų2259.8 Ų59.814%0.14333%0.332CS..THydrogen-bonded Turntrans-77.1-6.4176.532.5-35000113.9S302 K310 P311P284-S302 WeakPolarHBondContact O-CB 3.45Å; P284-K310 WeakPolarHBondContact CB-O 3.05Å; P284-P311 HydrophobicContact CG-CG 4.32Å
285N92.4Very high91.6Very high143 Ų14361.4 Ų61.477%0.76536%0.355SS*.THydrogen-bonded Turntrans-93.9-3.6-174.1-61.7-29.3000113.1S283S283-N285 PolarHBondContact O-N 2.64Å; S283-N285 PolarHBondContact OG-N 3.5Å
286E92.9Very high92.2Very high99 Ų9962 Ų6246%0.46335%0.348SS..  trans-98.8153.8179.5-68.4175.4-149.900110.5Y288 Y392E286-Y288 HydrophobicContact CB-CE1 4.38Å; E286-Y288 HydrophobicContact CB-CE2 4.34Å; E286-Y288 PolarHBondContact OE2-OH 2.67Å; E286-Y392 WeakPolarHBondContact O-CE2 3.05Å; E286-Y392 PolarHBondContact O-OH 3.18Å
287S94.1Very high92.6Very high55 Ų5561.9 Ų61.939%0.38535%0.347SS..EExtended strand (participates in β ladder)trans-122.3142.2169.963.50000109.7V300S287-V300 CarbonylContact C-O 3.52Å; S287-V300 WeakPolarHBondContact CA-O 3.38Å
288Y95.8Very high92.9Very high23 Ų2359 Ų599%0.0933%0.332CS..EExtended strand (participates in β ladder)trans-114.7145.3178.6-56.5-68.3000111E286 V300 Y392 W396 A399E286-Y288 HydrophobicContact CB-CE1 4.38Å; E286-Y288 HydrophobicContact CB-CE2 4.34Å; E286-Y288 PolarHBondContact OE2-OH 2.67Å; Y288-V300 PolarHBondContact N-O 3.33Å; Y288-V300 PolarHBondContact O-N 3.45Å; Y288-Y392 HydrophobicContact CD2-CD2 4.06Å; Y288-Y392 AromaticContact CD2-CE2 3.48Å; Y288-Y392 HydrophobicContact CD2-CE2 3.48Å; Y288-Y392 VanDerWaalsContact CD2-CE2 3.48Å; Y288-Y392 AromaticContact CD2-CZ 3.84Å; Y288-Y392 HydrophobicContact CE2-CD2 4.43Å; Y288-Y392 HydrophobicContact CE2-CE1 4.15Å; Y288-Y392 AromaticContact CE2-CE2 3.57Å; Y288-Y392 HydrophobicContact CE2-CE2 3.57Å; Y288-Y392 AromaticContact CE2-CZ 3.4Å; Y288-Y392 VanDerWaalsContact CE2-OH 3.26Å; Y288-Y392 WeakPolarHBondContact CE2-OH 3.47Å; Y288-W396 HydrophobicContact CD2-CB 3.86Å; Y288-W396 HydrophobicContact CD2-CG 4.45Å; Y288-W396 AromaticContact CE1-CD1 3.99Å; Y288-W396 HydrophobicContact CE2-CB 3.86Å; Y288-W396 AromaticContact CE2-CD1 3.38Å; Y288-W396 HydrophobicContact CE2-CG 4.01Å; Y288-W396 HydrophobicContact CG-CB 4.48Å; Y288-W396 AromaticContact CZ-CD1 3.29Å; Y288-W396 VanDerWaalsContact OH-CD1 3.22Å; Y288-A399 HydrophobicContact CD1-CB 3.91Å; Y288-A399 HydrophobicContact CG-CB 4.43Å
289E94.3Very high93.2Very high101 Ų10158.5 Ų58.547%0.47233%0.329SS..EExtended strand (participates in β ladder)trans-88.2130.4-174.3-66.3-176.4174.500111.1V297 L298 K299E289-V297 HydrophobicContact CB-CG1 3.82Å; E289-V297 HydrophobicContact CG-CG1 3.75Å; E289-L298 CarbonylContact C-O 3.6Å; E289-L298 WeakPolarHBondContact CA-O 3.41Å; E289-K299 HydrophobicContact CG-CG 4.37Å
290L94.5Very high93.5Very high6 Ų655.9 Ų55.93%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-113.9122164.4-69.8-179.1000108.5L298 V300 L391 Y394 A395 L398 L430L290-L298 HydrophobicContact CB-CB 4.27Å; L290-L298 PolarHBondContact N-O 2.65Å; L290-L298 WeakPolarHBondContact O-CB 3.2Å; L290-L298 PolarHBondContact O-N 2.66Å; L290-V300 HydrophobicContact CB-CG2 4.4Å; L290-V300 HydrophobicContact CD1-CG2 3.59Å; L290-V300 HydrophobicContact CG-CG2 3.83Å; L290-L391 HydrophobicContact CD1-CD1 4.02Å; L290-Y394 HydrophobicContact CD2-CD1 4.4Å; L290-Y394 HydrophobicContact CD2-CE1 4.35Å; L290-A395 HydrophobicContact CD1-CB 4.23Å; L290-A395 HydrophobicContact CD2-CB 3.93Å; L290-A395 HydrophobicContact CG-CB 3.9Å; L290-L398 HydrophobicContact CD2-CD1 3.8Å; L290-L430 HydrophobicContact CD1-CD2 3.94Å
291H94Very high93.6Very high101 Ų10156.2 Ų56.247%0.46832%0.322SS..EExtended strand (participates in β ladder)trans-79.4143.7174-62.7-93.8000109.9S436H291-S436 WeakPolarHBondContact CB-OG 3.47Å; H291-S436 VanDerWaalsContact O-CB 3.29Å; H291-S436 WeakPolarHBondContact O-CB 3.41Å; H291-S436 PolarHBondContact O-N 3.13Å; H291-S436 PolarHBondContact O-OG 3.44Å
292T94.2Very high93.6Very high15 Ų1552 Ų529%0.09230%0.296CS..BIsolated β-bridgetrans-96.2159.6174.265.30000111.4G294 G295 K296 L298 K434T292-G294 PolarHBondContact O-N 2.77Å; T292-G294 VanDerWaalsContact O-N 3.08Å; T292-G295 PolarHBondContact O-N 2.88Å; T292-K296 HydrophobicContact CG2-CB 4.46Å; T292-K296 PolarHBondContact N-O 2.76Å; T292-K296 WeakPolarHBondContact OG1-CA 3.35Å; T292-K296 WeakPolarHBondContact OG1-CB 3.42Å; T292-K296 PolarHBondContact OG1-N 3.39Å; T292-K296 PolarHBondContact OG1-O 2.75Å; T292-L298 HydrophobicContact CG2-CD1 3.65Å; T292-L298 HydrophobicContact CG2-CD2 4.44Å; T292-L298 HydrophobicContact CG2-CG 3.74Å; T292-K434 CarbonylContact C-O 3.53Å; T292-K434 WeakPolarHBondContact CA-O 3.4Å; T292-K434 WeakPolarHBondContact CB-O 3.33Å
293K91.3Very high93.5Very high124 Ų12451.8 Ų51.854%0.53930%0.295SS..THydrogen-bonded Turntrans-56.5-22.7173-65179.2-176.8176.80112.9K434 E696K293-K434 PolarHBondContact N-O 3.08Å; K293-E696 IonicContact NZ-OE2 3.94Å; K293-E696 PolarHBondContact NZ-OE2 3.29Å
294G89.3Confident93.3Very high68 Ų6857 Ų5770%0.70131%0.312SS*.THydrogen-bonded Turntrans-91.911.2176.800000115.2T292 K296T292-G294 PolarHBondContact O-N 2.77Å; T292-G294 VanDerWaalsContact O-N 3.08Å; G294-K296 PolarHBondContact O-N 2.75Å
295G89.1Confident93.1Very high57 Ų5756.2 Ų56.259%0.58831%0.308SS*.SBendtrans79.1-3.7178.600000115.5T292T292-G295 PolarHBondContact O-N 2.88Å
296K92.1Very high92.8Very high103 Ų10353.6 Ų53.645%0.44829%0.291SS..  trans-74.2152173.7-59.7178.8167.9-160.20110.8T292 G294 L500T292-K296 HydrophobicContact CG2-CB 4.46Å; T292-K296 PolarHBondContact N-O 2.76Å; T292-K296 WeakPolarHBondContact OG1-CA 3.35Å; T292-K296 WeakPolarHBondContact OG1-CB 3.42Å; T292-K296 PolarHBondContact OG1-N 3.39Å; T292-K296 PolarHBondContact OG1-O 2.75Å; G294-K296 PolarHBondContact O-N 2.75Å; K296-L500 HydrophobicContact CB-CD1 4.27Å; K296-L500 HydrophobicContact CB-CG 4.49Å; K296-L500 HydrophobicContact CD-CD1 3.86Å; K296-L500 HydrophobicContact CD-CD2 3.94Å; K296-L500 HydrophobicContact CD-CG 4.31Å
297V94.1Very high92.6Very high6 Ų650.8 Ų50.84%0.03628%0.281CS..EExtended strand (participates in β ladder)trans-107.3130.2176.8176.10000110.3E289 V501 I503E289-V297 HydrophobicContact CB-CG1 3.82Å; E289-V297 HydrophobicContact CG-CG1 3.75Å; V297-V501 PolarHBondContact O-N 2.66Å; V297-I503 HydrophobicContact CB-CD1 4.19Å; V297-I503 HydrophobicContact CG2-CD1 3.56Å
298L94Very high92.4Very high5 Ų549.7 Ų49.73%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-101.2123.5172.2-62.1169.2000108.5E289 L290 T292 L433 F498 E499 L500E289-L298 CarbonylContact C-O 3.6Å; E289-L298 WeakPolarHBondContact CA-O 3.41Å; L290-L298 HydrophobicContact CB-CB 4.27Å; L290-L298 PolarHBondContact N-O 2.65Å; L290-L298 WeakPolarHBondContact O-CB 3.2Å; L290-L298 PolarHBondContact O-N 2.66Å; T292-L298 HydrophobicContact CG2-CD1 3.65Å; T292-L298 HydrophobicContact CG2-CD2 4.44Å; T292-L298 HydrophobicContact CG2-CG 3.74Å; L298-L433 HydrophobicContact CD1-CB 3.88Å; L298-L433 HydrophobicContact CD1-CD1 4.37Å; L298-L433 HydrophobicContact CD1-CD2 4.42Å; L298-L433 HydrophobicContact CD1-CG 4.45Å; L298-F498 HydrophobicContact CD2-CD2 4.34Å; L298-E499 CarbonylContact C-O 3.56Å; L298-E499 WeakPolarHBondContact CA-O 3.47Å; L298-L500 HydrophobicContact CD2-CB 4.14Å; L298-L500 HydrophobicContact CD2-CD1 3.85Å; L298-L500 HydrophobicContact CD2-CG 4.29Å
299K95.3Very high92.2Very high81 Ų8151.3 Ų51.335%0.35229%0.293SS..EExtended strand (participates in β ladder)trans-89.4110.9168.7-76.5-174.8177.8177.80109.2E289 F498 E499 V501E289-K299 HydrophobicContact CG-CG 4.37Å; K299-F498 CarbonylContact O-C 3.58Å; K299-F498 VanDerWaalsContact O-CA 3.25Å; K299-F498 WeakPolarHBondContact O-CA 3.32Å; K299-E499 PolarHBondContact N-O 3.21Å; K299-E499 PolarHBondContact O-N 2.74Å; K299-V501 HydrophobicContact CB-CG2 4.42Å; K299-V501 HydrophobicContact CD-CG2 3.73Å; K299-V501 HydrophobicContact CG-CG2 3.79Å
300V96Very high92.1Very high0 Ų050.9 Ų50.90%029%0.289CS..EExtended strand (participates in β ladder)trans-89.2116.6176-1730000108.8S287 Y288 L290 L391 Y392 A395S287-V300 CarbonylContact C-O 3.52Å; S287-V300 WeakPolarHBondContact CA-O 3.38Å; Y288-V300 PolarHBondContact N-O 3.33Å; Y288-V300 PolarHBondContact O-N 3.45Å; L290-V300 HydrophobicContact CB-CG2 4.4Å; L290-V300 HydrophobicContact CD1-CG2 3.59Å; L290-V300 HydrophobicContact CG-CG2 3.83Å; V300-L391 HydrophobicContact CG1-CD2 4.34Å; V300-L391 HydrophobicContact CG1-CG 3.97Å; V300-Y392 HydrophobicContact CG1-CD2 4.18Å; V300-A395 HydrophobicContact CB-CB 4.11Å; V300-A395 HydrophobicContact CG1-CB 4.45Å; V300-A395 HydrophobicContact CG2-CB 4.14Å
301A95.4Very high92.2Very high35 Ų3554.3 Ų54.329%0.28931%0.312SS..EExtended strand (participates in β ladder)trans-97.2162.217600000111Y392 N497A301-Y392 VanDerWaalsContact C-CD2 3.41Å; A301-N497 PolarHBondContact N-O 3.41Å; A301-N497 PolarHBondContact O-ND2 3.48Å
302S93.7Very high92.3Very high3 Ų349.6 Ų49.62%0.02129%0.29CS..PPolyproline II helixtrans-58.5147.6168.61790000110.9P284 K304P284-S302 WeakPolarHBondContact O-CB 3.45Å; S302-K304 PolarHBondContact O-N 2.61Å
303S93.5Very high92.4Very high0 Ų052.6 Ų52.60%030%0.3CS..PPolyproline II helixtrans-59.9139.7174.5-176.10000111.7A305 R385 E388S303-A305 WeakPolarHBondContact OG-CB 3.26Å; S303-A305 PolarHBondContact OG-N 2.68Å; S303-A305 VanDerWaalsContact OG-N 3.13Å; S303-R385 WeakPolarHBondContact OG-CD 3.37Å; S303-E388 VanDerWaalsContact CB-OE2 3.27Å; S303-E388 WeakPolarHBondContact CB-OE2 3.29Å; S303-E388 PolarHBondContact OG-OE2 3.17Å
304K91.1Very high92.5Very high149 Ų14946.7 Ų46.765%0.64827%0.274SS*.  trans-110.40.4169.5-59-176.1-180169.10111.8S302 H306 S309S302-K304 PolarHBondContact O-N 2.61Å; K304-H306 PolarHBondContact O-N 3.44Å; K304-S309 WeakPolarHBondContact CG-OG 3.48Å
305A87.7Confident92.7Very high7 Ų743.5 Ų43.56%0.05824%0.241CC..THydrogen-bonded Turntrans-62.8131.2-173.700000110.8S303 T307 P384 R385S303-A305 WeakPolarHBondContact OG-CB 3.26Å; S303-A305 PolarHBondContact OG-N 2.68Å; S303-A305 VanDerWaalsContact OG-N 3.13Å; A305-T307 PolarHBondContact O-N 2.68Å; A305-P384 HydrophobicContact CB-CG 4.37Å; A305-R385 HydrophobicContact CB-CB 4.22Å; A305-R385 PolarHBondContact O-NH1 3.36Å; A305-R385 VanDerWaalsContact O-NH1 3.12Å
306H87.5Confident92.8Very high87 Ų8740.8 Ų40.840%0.40321%0.213SC..THydrogen-bonded Turntrans62.5-53.7173.2-51.5-63.2000116.3K304 P382 Y383K304-H306 PolarHBondContact O-N 3.44Å; H306-P382 PolarHBondContact CD2-O 2.92Å; H306-P382 PolarHBondContact NE2-O 3.31Å; H306-Y383 PolarHBondContact NE2-O 3.38Å
307T88Confident92.8Very high41 Ų4136.2 Ų36.225%0.25219%0.193SC..THydrogen-bonded Turntrans-111.417.7-172.868.90000114.2A305 K310 E380 A381 R385A305-T307 PolarHBondContact O-N 2.68Å; T307-K310 WeakPolarHBondContact O-CE 3.48Å; T307-K310 WeakPolarHBondContact OG1-CE 3.43Å; T307-K310 PolarHBondContact OG1-NZ 3.36Å; T307-E380 WeakPolarHBondContact CG2-O 3.44Å; T307-A381 HydrophobicContact CG2-CB 4.45Å; T307-R385 PolarHBondContact OG1-NH1 3.4Å
308G90.1Very high92.6Very high32 Ų3235.9 Ų35.933%0.3319%0.191SC..  trans67.2-171.8-179.100000113.5K310 R385G308-K310 PolarHBondContact O-N 2.63Å; G308-R385 PolarHBondContact O-NH1 3.06Å
309S90.7Very high92.2Very high56 Ų5636.1 Ų36.139%0.39219%0.193SC..SBendtrans-74.1118-178.9-64.10000110.9K304K304-S309 WeakPolarHBondContact CG-OG 3.48Å
310K92.9Very high91.8Very high93 Ų9337 Ų3740%0.40420%0.201SC..  trans-128.1145.7176.7-61.1-179.7174.9172.90110.6P284 T307 G308 L312P284-K310 WeakPolarHBondContact CB-O 3.05Å; T307-K310 WeakPolarHBondContact O-CE 3.48Å; T307-K310 WeakPolarHBondContact OG1-CE 3.43Å; T307-K310 PolarHBondContact OG1-NZ 3.36Å; G308-K310 PolarHBondContact O-N 2.63Å; K310-L312 PolarHBondContact O-N 3.37Å
311P95.4Very high91.4Very high77 Ų7740.7 Ų40.750%0.522%0.218SC..PPolyproline II helixtrans-56.7138.3171.6-2030.9000111.2T281 I282 P284T281-P311 HydrophobicContact CG2-CB 4.42Å; I282-P311 WeakPolarHBondContact O-CA 3.49Å; P284-P311 HydrophobicContact CG-CG 4.32Å
312L96.6Very high91.2Very high3 Ų339.7 Ų39.72%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-95.5125.1177.1178.463.9000109.6T281 I282 K310 L314 V373 D374 E389 Y392 A393T281-L312 CarbonylContact C-O 3.46Å; T281-L312 VanDerWaalsContact CA-O 3.24Å; T281-L312 WeakPolarHBondContact CA-O 3.28Å; I282-L312 HydrophobicContact CD1-CB 4.11Å; I282-L312 HydrophobicContact CD1-CD2 3.98Å; I282-L312 HydrophobicContact CD1-CG 4.45Å; I282-L312 HydrophobicContact CG1-CB 3.69Å; I282-L312 HydrophobicContact CG1-CD2 4.46Å; I282-L312 HydrophobicContact CG1-CG 4.4Å; I282-L312 PolarHBondContact N-O 3.44Å; I282-L312 PolarHBondContact O-N 2.64Å; K310-L312 PolarHBondContact O-N 3.37Å; L312-L314 HydrophobicContact CD2-CD2 4.34Å; L312-L314 HydrophobicContact CG-CD2 4.31Å; L312-V373 HydrophobicContact CD1-CG1 4.05Å; L312-V373 HydrophobicContact CD2-CG1 4.11Å; L312-V373 HydrophobicContact CG-CG1 4.37Å; L312-D374 WeakPolarHBondContact CD1-O 3.38Å; L312-E389 HydrophobicContact CD1-CB 3.96Å; L312-E389 HydrophobicContact CD1-CG 4.17Å; L312-E389 HydrophobicContact CD2-CB 4Å; L312-E389 VanDerWaalsContact CD2-O 3.29Å; L312-E389 WeakPolarHBondContact CD2-O 3.05Å; L312-Y392 HydrophobicContact CD2-CD1 4.45Å; L312-A393 HydrophobicContact CD2-CB 3.89Å
313R95.8Very high91.1Very high77 Ų7744.6 Ų44.629%0.29123%0.23SC..EExtended strand (participates in β ladder)trans-84.6132179.3-178.7-174.4-179.9-119.16.3109.7V279 F280 T281 T353 D354 D374V279-R313 HydrophobicContact CG1-CG 3.84Å; F280-R313 WeakPolarHBondContact O-CA 3.45Å; T281-R313 HydrophobicContact CG2-CB 4.17Å; R313-T353 PolarHBondContact NH1-OG1 3.02Å; R313-D354 IonicContact NH1-OD2 3.85Å; R313-D354 IonicContact NH2-OD2 3.51Å; R313-D354 PolarHBondContact NH2-OD2 3.03Å; R313-D374 HydrophobicContact CB-CB 4.02Å; R313-D374 WeakPolarHBondContact CD-OD2 3.31Å; R313-D374 HydrophobicContact CG-CB 4.32Å; R313-D374 VanDerWaalsContact CG-OD2 3.25Å; R313-D374 WeakPolarHBondContact CG-OD2 3.37Å; R313-D374 IonicContact CZ-OD2 2.75Å; R313-D374 VanDerWaalsContact CZ-OD2 3.31Å; R313-D374 IonicContact NE-OD2 2.68Å; R313-D374 PolarHBondContact NE-OD2 2.88Å; R313-D374 VanDerWaalsContact NH1-CG 3.34Å; R313-D374 IonicContact NH1-OD1 3.86Å; R313-D374 IonicContact NH1-OD2 2.7Å; R313-D374 PolarHBondContact NH1-OD2 3.21Å; R313-D374 PolarHBondContact O-N 3.02Å
314L94.9Very high91Very high0 Ų045.1 Ų45.10%024%0.236CC..EExtended strand (participates in β ladder)trans-126.7145.2177.1-60.3-178.4000109.7V279 F280 I282 L312 V371 S372 V373 A393 W396V279-L314 WeakPolarHBondContact CA-O 3.49Å; F280-L314 HydrophobicContact CE1-CB 3.92Å; F280-L314 HydrophobicContact CE2-CB 4.3Å; F280-L314 HydrophobicContact CE2-CD1 4.13Å; F280-L314 HydrophobicContact CZ-CB 3.8Å; F280-L314 HydrophobicContact CZ-CD1 3.91Å; F280-L314 HydrophobicContact CZ-CG 4.46Å; F280-L314 PolarHBondContact N-O 2.67Å; F280-L314 PolarHBondContact O-N 2.67Å; F280-L314 VanDerWaalsContact O-O 3.11Å; I282-L314 HydrophobicContact CD1-CD1 4.3Å; I282-L314 HydrophobicContact CG2-CD1 3.79Å; L312-L314 HydrophobicContact CD2-CD2 4.34Å; L312-L314 HydrophobicContact CG-CD2 4.31Å; L314-V371 HydrophobicContact CB-CG1 4.37Å; L314-V371 HydrophobicContact CD1-CG1 4.13Å; L314-V371 HydrophobicContact CD2-CG1 4.31Å; L314-S372 WeakPolarHBondContact CA-O 3.03Å; L314-V373 HydrophobicContact CD2-CB 4.09Å; L314-V373 HydrophobicContact CD2-CG1 3.98Å; L314-V373 HydrophobicContact CD2-CG2 3.87Å; L314-A393 HydrophobicContact CD2-CB 4.19Å; L314-W396 HydrophobicContact CD1-CD2 4.4Å; L314-W396 HydrophobicContact CD1-CE3 3.78Å; L314-W396 HydrophobicContact CD1-CZ3 3.81Å
315K92.6Very high91Very high1 Ų138 Ų380%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-113.2120.2172-169.7174.2-175.5174.30109.9N277 V279 I317 T353 D354 E357 V371 S372N277-K315 WeakPolarHBondContact OD1-CE 3.24Å; V279-K315 HydrophobicContact CG2-CB 4.28Å; V279-K315 HydrophobicContact CG2-CD 4.25Å; V279-K315 HydrophobicContact CG2-CG 3.89Å; K315-I317 HydrophobicContact CD-CD1 4.12Å; K315-I317 HydrophobicContact CD-CG1 4.4Å; K315-I317 HydrophobicContact CG-CD1 4.2Å; K315-I317 HydrophobicContact CG-CG1 3.99Å; K315-T353 HydrophobicContact CB-CG2 3.83Å; K315-T353 WeakPolarHBondContact CD-O 3.37Å; K315-T353 WeakPolarHBondContact CD-OG1 3.38Å; K315-T353 PolarHBondContact NZ-O 3.44Å; K315-D354 IonicContact NZ-OD1 3.47Å; K315-D354 PolarHBondContact NZ-OD1 3.25Å; K315-E357 WeakPolarHBondContact CE-OE1 3.45Å; K315-E357 IonicContact NZ-OE1 3.39Å; K315-E357 PolarHBondContact NZ-OE1 3.46Å; K315-V371 WeakPolarHBondContact O-CA 3.35Å; K315-S372 PolarHBondContact N-O 3.12Å; K315-S372 PolarHBondContact O-N 2.69Å
316L92.4Very high91.1Very high0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-98120.7177.3-177.361.9000109.9N277 F278 F280 L325 L326 T369 I370 V371 L404N277-L316 WeakPolarHBondContact CA-O 3.38Å; F278-L316 PolarHBondContact N-O 3.17Å; F278-L316 PolarHBondContact O-N 2.69Å; F280-L316 HydrophobicContact CE1-CB 3.93Å; L316-L325 HydrophobicContact CD1-CD1 4.26Å; L316-L325 HydrophobicContact CD2-CD1 3.68Å; L316-L325 HydrophobicContact CD2-CG 4.42Å; L316-L325 HydrophobicContact CG-CD1 4.24Å; L316-L326 HydrophobicContact CD2-CD2 3.64Å; L316-L326 HydrophobicContact CD2-CG 4.01Å; L316-T369 HydrophobicContact CD1-CG2 3.33Å; L316-I370 WeakPolarHBondContact CA-O 3.41Å; L316-V371 HydrophobicContact CD1-CG2 3.98Å; L316-L404 HydrophobicContact CD1-CD2 3.61Å; L316-L404 HydrophobicContact CD2-CD2 4.36Å
317I90.2Very high91.1Very high7 Ų738.3 Ų38.34%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-124.8131.9-177.4-53.6174.2000109.2I274 V276 K315 I363 I370I274-I317 HydrophobicContact CD1-CG2 4.13Å; I274-I317 HydrophobicContact CG2-CG2 3.93Å; V276-I317 CarbonylContact O-C 3.5Å; V276-I317 VanDerWaalsContact O-CA 3.31Å; V276-I317 WeakPolarHBondContact O-CA 3.47Å; K315-I317 HydrophobicContact CD-CD1 4.12Å; K315-I317 HydrophobicContact CD-CG1 4.4Å; K315-I317 HydrophobicContact CG-CD1 4.2Å; K315-I317 HydrophobicContact CG-CG1 3.99Å; I317-I363 HydrophobicContact CG2-CD1 3.93Å; I317-I363 HydrophobicContact CG2-CG2 4.3Å; I317-I370 HydrophobicContact CB-CB 4.19Å; I317-I370 PolarHBondContact N-O 3Å; I317-I370 PolarHBondContact O-N 3.38Å
318S90.2Very high91Very high0 Ų044.5 Ų44.50%024%0.241CC..EExtended strand (participates in β ladder)trans-152.6138.4169.4-148.50000112.7I274 V276 L320 R322 C368I274-S318 WeakPolarHBondContact CG2-O 3.39Å; V276-S318 WeakPolarHBondContact CB-O 3.03Å; V276-S318 PolarHBondContact N-O 3.45Å; V276-S318 PolarHBondContact O-N 3.14Å; S318-L320 WeakPolarHBondContact CB-O 3.33Å; S318-L320 PolarHBondContact O-N 2.71Å; S318-L320 PolarHBondContact OG-O 2.75Å; S318-R322 PolarHBondContact OG-NE 2.84Å; S318-R322 PolarHBondContact OG-NH2 2.96Å; S318-C368 PolarHBondContact OG-O 3.08Å; S318-C368 VanDerWaalsContact OG-O 3.12Å
319S87Confident90.6Very high9 Ų947.1 Ų47.16%0.06326%0.255CS..SBendtrans-70.3-17.5175.152.60000113.4P275P275-S319 WeakPolarHBondContact CG-O 3.47Å
320L86.9Confident90.2Very high99 Ų9946.8 Ų46.852%0.51826%0.255SS..SBendtrans-131.9146.5-178.6-59.7175.4000109.9S318S318-L320 WeakPolarHBondContact CB-O 3.33Å; S318-L320 PolarHBondContact O-N 2.71Å; S318-L320 PolarHBondContact OG-O 2.75Å
321Q87.7Confident89.7Confident78 Ų7848.9 Ų48.936%0.36428%0.279SS..  trans-65.2139.7161.5-1756432.900108.3L325 V333Q321-L325 PolarHBondContact NE2-O 3.36Å; Q321-V333 WeakPolarHBondContact O-CG1 3.46Å
322R90.6Very high89.2Confident14 Ų1449.3 Ų49.35%0.05330%0.297CS..  trans-125158.2-178.5-53.2-177.3-176.4-96.5-8111.5S318 G324 L325 V333 Q334 S367 C368 T369 G405S318-R322 PolarHBondContact OG-NE 2.84Å; S318-R322 PolarHBondContact OG-NH2 2.96Å; R322-G324 PolarHBondContact O-N 2.7Å; R322-L325 HydrophobicContact CB-CB 4.03Å; R322-L325 HydrophobicContact CB-CD2 4.15Å; R322-L325 HydrophobicContact CG-CD2 4.24Å; R322-L325 VanDerWaalsContact O-CB 3.25Å; R322-L325 WeakPolarHBondContact O-CB 3.47Å; R322-L325 PolarHBondContact O-N 3.24Å; R322-V333 VanDerWaalsContact CA-CG1 3.48Å; R322-Q334 WeakPolarHBondContact CA-O 3.43Å; R322-S367 PolarHBondContact NH1-O 2.87Å; R322-S367 PolarHBondContact NH2-O 3.17Å; R322-C368 VanDerWaalsContact CZ-C 3.45Å; R322-C368 VanDerWaalsContact NH2-CA 3.26Å; R322-C368 VanDerWaalsContact NH2-N 3.14Å; R322-C368 PolarHBondContact NH2-O 3.27Å; R322-T369 VanDerWaalsContact CD-OG1 3.22Å; R322-T369 WeakPolarHBondContact CD-OG1 3.09Å; R322-T369 PolarHBondContact NE-OG1 2.88Å; R322-G405 WeakPolarHBondContact CB-O 3.12Å; R322-G405 VanDerWaalsContact CD-O 3.24Å; R322-G405 WeakPolarHBondContact CD-O 3.3Å
323Q92.2Very high88.8Confident106 Ų10651.2 Ų51.250%0.49531%0.309SS..THydrogen-bonded Turntrans-60.5128.2177.2-170.4177.4-1.300110.2L325 V333 Q334 A335 G405Q323-L325 PolarHBondContact O-N 2.99Å; Q323-V333 WeakPolarHBondContact CB-O 3.04Å; Q323-Q334 PolarHBondContact N-O 2.77Å; Q323-Q334 VanDerWaalsContact N-O 3.15Å; Q323-A335 HydrophobicContact CB-CB 4.38Å; Q323-G405 WeakPolarHBondContact O-CA 3.33Å
324G90.6Very high88.6Confident12 Ų1255.1 Ų55.112%0.12433%0.33CS..THydrogen-bonded Turntrans77.4-12.9-179.900000115.3R322 L326 G327 R328 S329 N402R322-G324 PolarHBondContact O-N 2.7Å; G324-L326 PolarHBondContact O-N 2.7Å; G324-G327 VanDerWaalsContact O-CA 3.31Å; G324-G327 WeakPolarHBondContact O-CA 3.42Å; G324-G327 PolarHBondContact O-N 2.88Å; G324-R328 CarbonylContact C-O 3.48Å; G324-R328 WeakPolarHBondContact CA-O 3Å; G324-R328 PolarHBondContact N-O 3.44Å; G324-S329 PolarHBondContact N-OG 2.89Å; G324-N402 CarbonylContact C-O 3.59Å; G324-N402 VanDerWaalsContact CA-O 3.3Å; G324-N402 WeakPolarHBondContact CA-O 3.14Å
325L91Very high88.5Confident0 Ų056.4 Ų56.40%034%0.341CS..G310 helixtrans-57.3121.9-177.5-170.968.7000111V276 L316 Q321 R322 Q323 G327 R328 F403 L404V276-L325 HydrophobicContact CB-CD2 4.33Å; V276-L325 HydrophobicContact CG1-CD2 4.01Å; V276-L325 HydrophobicContact CG2-CD2 3.76Å; L316-L325 HydrophobicContact CD1-CD1 4.26Å; L316-L325 HydrophobicContact CD2-CD1 3.68Å; L316-L325 HydrophobicContact CD2-CG 4.42Å; L316-L325 HydrophobicContact CG-CD1 4.24Å; Q321-L325 PolarHBondContact NE2-O 3.36Å; R322-L325 HydrophobicContact CB-CB 4.03Å; R322-L325 HydrophobicContact CB-CD2 4.15Å; R322-L325 HydrophobicContact CG-CD2 4.24Å; R322-L325 VanDerWaalsContact O-CB 3.25Å; R322-L325 WeakPolarHBondContact O-CB 3.47Å; R322-L325 PolarHBondContact O-N 3.24Å; Q323-L325 PolarHBondContact O-N 2.99Å; L325-G327 PolarHBondContact O-N 3.26Å; L325-R328 PolarHBondContact N-O 2.94Å; L325-R328 WeakPolarHBondContact O-CB 3.39Å; L325-R328 PolarHBondContact O-N 3.4Å; L325-R328 VanDerWaalsContact O-N 3.08Å; L325-F403 CarbonylContact C-O 3.48Å; L325-F403 WeakPolarHBondContact CA-O 3.44Å; L325-L404 VanDerWaalsContact CD1-C 3.45Å; L325-L404 WeakPolarHBondContact CD1-O 2.88Å
326L89.8Confident88.6Confident38 Ų3856.4 Ų56.420%0.19934%0.341CS..G310 helixtrans57.830.3-172.8-58173.2000113.5F278 L316 G324 R328 F403F278-L326 HydrophobicContact CB-CD1 4.03Å; F278-L326 HydrophobicContact CB-CD2 4.48Å; F278-L326 HydrophobicContact CD1-CD1 4.17Å; F278-L326 HydrophobicContact CD1-CD2 3.4Å; F278-L326 VanDerWaalsContact CD1-CD2 3.4Å; F278-L326 HydrophobicContact CD1-CG 4.44Å; F278-L326 HydrophobicContact CD2-CD1 4.45Å; F278-L326 HydrophobicContact CE1-CD2 3.76Å; F278-L326 HydrophobicContact CG-CD1 3.97Å; F278-L326 HydrophobicContact CG-CD2 4.07Å; L316-L326 HydrophobicContact CD2-CD2 3.64Å; L316-L326 HydrophobicContact CD2-CG 4.01Å; G324-L326 PolarHBondContact O-N 2.7Å; L326-R328 PolarHBondContact O-N 2.95Å; L326-F403 HydrophobicContact CD2-CE1 4.25Å; L326-F403 HydrophobicContact CD2-CZ 3.89Å; L326-F403 PolarHBondContact N-O 3.09Å
327G87.7Confident88.6Confident62 Ų6264 Ų6464%0.63937%0.37SS*.G310 helixtrans72.37.5-175.400000114.2G324 L325G324-G327 VanDerWaalsContact O-CA 3.31Å; G324-G327 WeakPolarHBondContact O-CA 3.42Å; G324-G327 PolarHBondContact O-N 2.88Å; L325-G327 PolarHBondContact O-N 3.26Å
328R86.4Confident88.9Confident170 Ų17064.1 Ų64.164%0.64237%0.371SS*.  trans-100.8130.6-177.5-60.4179.5-176.6-179.30.3110.3G324 L325 L326G324-R328 CarbonylContact C-O 3.48Å; G324-R328 WeakPolarHBondContact CA-O 3Å; G324-R328 PolarHBondContact N-O 3.44Å; L325-R328 PolarHBondContact N-O 2.94Å; L325-R328 WeakPolarHBondContact O-CB 3.39Å; L325-R328 PolarHBondContact O-N 3.4Å; L325-R328 VanDerWaalsContact O-N 3.08Å; L326-R328 PolarHBondContact O-N 2.95Å
329S82.2Confident89.1Confident87 Ų8764.1 Ų64.161%0.60837%0.371SS*.  trans-125137173.1-65.60000109.7G324G324-S329 PolarHBondContact N-OG 2.89Å
330A81.7Confident89.6Confident49 Ų4964 Ų6441%0.40537%0.37SS..  trans-125.9145.1173.300000109.3G332 V333A330-G332 PolarHBondContact O-N 2.74Å; A330-V333 HydrophobicContact CB-CG2 3.82Å; A330-V333 PolarHBondContact O-N 2.65Å
331P82.2Confident90.1Very high138 Ų13859.2 Ų59.290%0.89635%0.345SS*.THydrogen-bonded Turntrans-56.5134.7178-21.931.9000111.6V333P331-V333 VanDerWaalsContact C-N 3.27Å; P331-V333 PolarHBondContact O-N 2.82Å
332G84.9Confident90.5Very high86 Ų8656.7 Ų56.789%0.88733%0.333SS*.THydrogen-bonded Turntrans79.8-4.8177.500000115.8A330A330-G332 PolarHBondContact O-N 2.74Å
333V88.6Confident90.7Very high42 Ų4256 Ų5626%0.25533%0.331SS..PPolyproline II helixtrans-85.5133.5174.1-177.30000109.4Q321 R322 Q323 A330 P331Q321-V333 WeakPolarHBondContact O-CG1 3.46Å; R322-V333 VanDerWaalsContact CA-CG1 3.48Å; Q323-V333 WeakPolarHBondContact CB-O 3.04Å; A330-V333 HydrophobicContact CB-CG2 3.82Å; A330-V333 PolarHBondContact O-N 2.65Å; P331-V333 VanDerWaalsContact C-N 3.27Å; P331-V333 PolarHBondContact O-N 2.82Å
334Q91.9Very high90.7Very high159 Ų15951 Ų5174%0.74331%0.307SS*.PPolyproline II helixtrans-101.7156.9179.8-64.4-178.5100111.8R322 Q323R322-Q334 WeakPolarHBondContact CA-O 3.43Å; Q323-Q334 PolarHBondContact N-O 2.77Å; Q323-Q334 VanDerWaalsContact N-O 3.15Å
335A92.6Very high90.8Very high28 Ų2850.5 Ų50.523%0.23130%0.301CS..PPolyproline II helixtrans-72.7153.3168.400000110.9Q323 G405 T407Q323-A335 HydrophobicContact CB-CB 4.38Å; A335-G405 CarbonylContact C-O 3.56Å; A335-G405 WeakPolarHBondContact CA-O 3.28Å; A335-T407 HydrophobicContact CB-CG2 3.94Å
336A93.2Very high90.8Very high1 Ų151.2 Ų51.21%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-63.1138.3167.900000110.3S338 G405 W406 T407A336-S338 WeakPolarHBondContact CB-O 3.32Å; A336-G405 PolarHBondContact N-O 3.32Å; A336-W406 HydrophobicContact CB-CB 3.76Å; A336-W406 CarbonylContact O-C 3.56Å; A336-W406 WeakPolarHBondContact O-CA 3.27Å; A336-W406 WeakPolarHBondContact O-CB 3.02Å; A336-T407 WeakPolarHBondContact O-CG2 3.45Å; A336-T407 PolarHBondContact O-N 2.7Å; A336-T407 PolarHBondContact O-OG1 2.8Å
337R93.7Very high90.9Very high158 Ų15850 Ų5060%0.59631%0.305SS*.EExtended strand (participates in β ladder)trans-71-28.8165.4-62.1-178.371.1114.4-3.7111.8T407 E409 K410R337-T407 WeakPolarHBondContact CA-OG1 3.31Å; R337-T407 PolarHBondContact O-OG1 3.27Å; R337-E409 IonicContact CZ-OE1 3.47Å; R337-E409 IonicContact CZ-OE2 3.14Å; R337-E409 IonicContact NE-OE1 3.49Å; R337-E409 PolarHBondContact NE-OE1 2.97Å; R337-E409 IonicContact NE-OE2 2.98Å; R337-E409 PolarHBondContact NE-OE2 3.01Å; R337-E409 IonicContact NH2-OE1 2.69Å; R337-E409 PolarHBondContact NH2-OE1 3.48Å; R337-E409 IonicContact NH2-OE2 3.03Å; R337-E409 PolarHBondContact NH2-OE2 3.13Å; R337-E409 WeakPolarHBondContact O-CB 3.11Å; R337-K410 PolarHBondContact O-N 3.27Å; R337-K410 VanDerWaalsContact O-N 3.07Å
338S95.3Very high91.2Very high10 Ų1047.1 Ų47.17%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-123.8148.2-172.749.10000113.9A336 C368 T369 K410A336-S338 WeakPolarHBondContact CB-O 3.32Å; S338-C368 WeakPolarHBondContact O-CB 3.3Å; S338-C368 VanDerWaalsContact OG-CB 3.28Å; S338-C368 WeakPolarHBondContact OG-CB 3.17Å; S338-T369 PolarHBondContact O-N 3.18Å; S338-K410 CarbonylContact C-O 3.56Å; S338-K410 WeakPolarHBondContact CA-O 3.13Å
339L95.9Very high91.4Very high0 Ų039 Ų390%025%0.245CC..EExtended strand (participates in β ladder)trans-123140.2169.9-176.8144000110.1L341 T369 V371 L404 W406 K410 I411 C412L339-L341 HydrophobicContact CD2-CB 4.19Å; L339-T369 CarbonylContact C-O 3.57Å; L339-T369 VanDerWaalsContact CA-O 3.3Å; L339-T369 WeakPolarHBondContact CA-O 3.37Å; L339-T369 HydrophobicContact CD1-CG2 4.3Å; L339-V371 HydrophobicContact CD1-CG2 3.9Å; L339-V371 HydrophobicContact CG-CG2 4.43Å; L339-L404 HydrophobicContact CD1-CB 4.25Å; L339-L404 HydrophobicContact CD1-CD1 3.76Å; L339-W406 HydrophobicContact CB-CD2 3.64Å; L339-W406 HydrophobicContact CB-CE3 3.65Å; L339-W406 HydrophobicContact CB-CG 4.07Å; L339-W406 HydrophobicContact CB-CH2 4.43Å; L339-W406 HydrophobicContact CB-CZ2 4.43Å; L339-W406 HydrophobicContact CB-CZ3 4.05Å; L339-W406 HydrophobicContact CD1-CD2 4.02Å; L339-W406 HydrophobicContact CD1-CG 4.02Å; L339-W406 HydrophobicContact CD1-CZ2 4.37Å; L339-W406 HydrophobicContact CG-CD2 4.48Å; L339-K410 PolarHBondContact N-O 2.8Å; L339-I411 HydrophobicContact CD2-CD1 3.76Å; L339-I411 HydrophobicContact CD2-CG1 3.84Å; L339-I411 CarbonylContact O-C 3.48Å; L339-I411 WeakPolarHBondContact O-CA 3.27Å; L339-C412 PolarHBondContact O-N 3.03Å
340I96.1Very high91.6Very high6 Ų634.9 Ų34.93%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-103.3124166.2-66.5173.4000108.1H342 L366 C368 T369 I370 V371 C412 V414 V761 L765I340-H342 HydrophobicContact CG2-CB 4.35Å; I340-L366 HydrophobicContact CD1-CD1 3.79Å; I340-C368 WeakPolarHBondContact CD1-SG 2.97Å; I340-T369 PolarHBondContact N-O 3.45Å; I340-I370 HydrophobicContact CB-CB 4.48Å; I340-I370 HydrophobicContact CB-CG1 4.18Å; I340-I370 HydrophobicContact CB-CG2 4.32Å; I340-I370 HydrophobicContact CD1-CG1 4.25Å; I340-I370 HydrophobicContact CG2-CG2 4.21Å; I340-I370 CarbonylContact O-C 3.55Å; I340-I370 WeakPolarHBondContact O-CA 3.1Å; I340-V371 PolarHBondContact O-N 3.12Å; I340-C412 CarbonylContact C-O 3.51Å; I340-C412 VanDerWaalsContact CA-O 3.26Å; I340-C412 WeakPolarHBondContact CA-O 3.33Å; I340-C412 HydrophobicContact CG1-CB 4.43Å; I340-V414 HydrophobicContact CG2-CB 3.86Å; I340-V414 HydrophobicContact CG2-CG2 3.59Å; I340-V761 HydrophobicContact CD1-CG1 3.54Å; I340-V761 HydrophobicContact CG1-CG1 4.23Å; I340-L765 HydrophobicContact CD1-CD1 4.13Å; I340-L765 HydrophobicContact CG1-CD1 4.19Å
341L97.2Very high91.7Very high0 Ų033.4 Ų33.40%020%0.202CC..EExtended strand (participates in β ladder)trans-97.6117.5165.6-17965000108L339 V371 V373 Y394 C412 L413 V414 L426L339-L341 HydrophobicContact CD2-CB 4.19Å; L341-V371 CarbonylContact C-O 3.54Å; L341-V371 WeakPolarHBondContact CA-O 3.1Å; L341-V371 HydrophobicContact CD1-CB 4.24Å; L341-V371 HydrophobicContact CD1-CG1 4.09Å; L341-V373 HydrophobicContact CD1-CG2 3.6Å; L341-V373 HydrophobicContact CG-CG2 4.46Å; L341-Y394 HydrophobicContact CD2-CD2 3.99Å; L341-C412 PolarHBondContact N-O 3.02Å; L341-L413 HydrophobicContact CB-CD2 3.74Å; L341-L413 HydrophobicContact CD2-CD2 3.94Å; L341-L413 HydrophobicContact CG-CD2 4.28Å; L341-L413 WeakPolarHBondContact O-CA 3.36Å; L341-V414 PolarHBondContact O-N 3.3Å; L341-L426 HydrophobicContact CD2-CD2 4.42Å
342H96Very high91.6Very high25 Ų2527.5 Ų27.512%0.11616%0.164CC..EExtended strand (participates in β ladder)trans-111.4136.5-172.9172.1-97.9000112.5I340 H356 I370 V371 S372 V373 V414I340-H342 HydrophobicContact CG2-CB 4.35Å; H342-H356 AromaticContact CE1-CG 3.93Å; H342-I370 HydrophobicContact CB-CG2 4.33Å; H342-V371 PolarHBondContact N-O 2.99Å; H342-S372 PolarHBondContact ND1-OG 3.01Å; H342-S372 WeakPolarHBondContact O-CA 3.22Å; H342-V373 PolarHBondContact O-N 2.85Å; H342-V414 WeakPolarHBondContact CA-O 3.12Å; H342-V414 PolarHBondContact CD2-O 3.17Å; H342-V414 VanDerWaalsContact CD2-O 3.28Å
343C95.8Very high91.1Very high0 Ų023.5 Ų23.50%012%0.122CC..EExtended strand (participates in β ladder)trans-124.9126.6168.5-70.10000109.4Y375 V414 G415 G419 L423C343-Y375 HydrophobicContact CB-CE1 4.34Å; C343-V414 PolarHBondContact N-O 3Å; C343-G415 VanDerWaalsContact O-CA 3.25Å; C343-G415 WeakPolarHBondContact O-CA 3.43Å; C343-G419 WeakPolarHBondContact O-CA 3.47Å; C343-L423 HydrophobicContact CB-CD1 3.89Å; C343-L423 HydrophobicContact CB-CD2 4.4Å; C343-L423 HydrophobicContact CB-CG 3.92Å
344H93Very high90.2Very high1 Ų124.1 Ų24.11%0.00512%0.124CC..  trans-75.6162.7-178.562.484.5000112.9T351 H356 V373 Y375 G419H344-T351 PolarHBondContact CE1-O 3.07Å; H344-T351 VanDerWaalsContact CE1-O 3.25Å; H344-T351 PolarHBondContact ND1-OG1 3.03Å; H344-H356 WeakPolarHBondContact CB-CD2 2.93Å; H344-H356 WeakPolarHBondContact CB-NE2 3.31Å; H344-V373 PolarHBondContact CD2-O 2.95Å; H344-Y375 AromaticContact CD2-CE1 3.97Å; H344-Y375 AromaticContact CE1-CE1 3.83Å; H344-Y375 AromaticContact CE1-CZ 3.66Å; H344-Y375 AromaticContact ND1-CZ 3.99Å; H344-Y375 AromaticContact NE2-CE1 3.75Å; H344-Y375 PolarHBondContact O-OH 3.37Å; H344-G419 WeakPolarHBondContact O-CA 3.45Å; H344-G419 PolarHBondContact O-N 3.27Å; H344-G419 VanDerWaalsContact O-N 3.12Å
345G92Very high88.5Confident0 Ų016.9 Ų16.90%09%0.091CC..  trans-74.8-149.9169.400000114.1T351 Y375 D416G345-T351 PolarHBondContact O-OG1 2.9Å; G345-Y375 PolarHBondContact O-OH 2.84Å; G345-D416 WeakPolarHBondContact CA-O 3.36Å; G345-D416 PolarHBondContact N-O 2.99Å; G345-D416 PolarHBondContact N-OD1 2.7Å
346G90.7Very high86.7Confident16 Ų1616.7 Ų16.717%0.1659%0.085CC..SBendtrans98.720.6178.900000115.1F348 I349 A350G346-F348 PolarHBondContact O-N 3.31Å; G346-F348 VanDerWaalsContact O-N 3.15Å; G346-I349 WeakPolarHBondContact O-CG1 3.21Å; G346-I349 PolarHBondContact O-N 3.07Å; G346-I349 VanDerWaalsContact O-N 3.08Å; G346-A350 PolarHBondContact O-N 2.91Å
347G92.2Very high85Confident11 Ų1118.3 Ų18.311%0.1139%0.092CC..THydrogen-bonded Turntrans61.726.7170.600000114.4I349 C476G347-I349 PolarHBondContact O-N 3.33Å; G347-C476 WeakPolarHBondContact O-CB 3.32Å
348F93.6Very high83.2Confident2 Ų213.2 Ų13.21%0.0098%0.079CC..THydrogen-bonded Turntrans64.8-3-173.2-46.6-87.3000115.5G346 L377 A378 A418 L421 L422 F451 Y480G346-F348 PolarHBondContact O-N 3.31Å; G346-F348 VanDerWaalsContact O-N 3.15Å; F348-L377 WeakPolarHBondContact O-CA 3.24Å; F348-A378 PolarHBondContact O-N 3.03Å; F348-A418 HydrophobicContact CD1-CB 3.96Å; F348-A418 HydrophobicContact CD2-CB 3.79Å; F348-A418 HydrophobicContact CE1-CB 3.81Å; F348-A418 HydrophobicContact CE2-CB 3.58Å; F348-A418 HydrophobicContact CG-CB 3.95Å; F348-A418 HydrophobicContact CZ-CB 3.58Å; F348-L421 HydrophobicContact CE1-CD2 4.2Å; F348-L421 HydrophobicContact CZ-CB 4.24Å; F348-L421 HydrophobicContact CZ-CD1 4.2Å; F348-L421 HydrophobicContact CZ-CD2 3.87Å; F348-L421 HydrophobicContact CZ-CG 4.32Å; F348-L422 HydrophobicContact CD1-CD1 4.42Å; F348-L422 HydrophobicContact CD1-CD2 4.32Å; F348-L422 HydrophobicContact CD1-CG 4.33Å; F348-L422 HydrophobicContact CE1-CD1 4.31Å; F348-L422 HydrophobicContact CE1-CD2 3.83Å; F348-L422 HydrophobicContact CE1-CG 3.77Å; F348-F451 HydrophobicContact CD2-CE1 4.22Å; F348-F451 HydrophobicContact CD2-CE2 4.33Å; F348-F451 AromaticContact CD2-CZ 3.7Å; F348-F451 HydrophobicContact CD2-CZ 3.7Å; F348-F451 HydrophobicContact CE2-CD2 4.32Å; F348-F451 AromaticContact CE2-CE1 3.88Å; F348-F451 HydrophobicContact CE2-CE1 3.88Å; F348-F451 AromaticContact CE2-CE2 3.64Å; F348-F451 HydrophobicContact CE2-CE2 3.64Å; F348-F451 AromaticContact CE2-CZ 3.37Å; F348-F451 HydrophobicContact CE2-CZ 3.37Å; F348-F451 HydrophobicContact CZ-CZ 4.47Å; F348-Y480 HydrophobicContact CB-CD2 3.63Å; F348-Y480 HydrophobicContact CB-CE2 4.44Å; F348-Y480 HydrophobicContact CB-CG 4.01Å; F348-Y480 HydrophobicContact CD1-CD1 4.41Å; F348-Y480 AromaticContact CD1-CD2 3.37Å; F348-Y480 HydrophobicContact CD1-CD2 3.37Å; F348-Y480 HydrophobicContact CD1-CE1 4.4Å; F348-Y480 AromaticContact CD1-CE2 3.36Å; F348-Y480 HydrophobicContact CD1-CE2 3.36Å; F348-Y480 AromaticContact CD1-CG 3.91Å; F348-Y480 HydrophobicContact CD1-CG 3.91Å; F348-Y480 AromaticContact CD1-CZ 3.89Å; F348-Y480 HydrophobicContact CD2-CD1 4.23Å; F348-Y480 HydrophobicContact CD2-CD2 4.09Å; F348-Y480 AromaticContact CD2-CG 3.81Å; F348-Y480 HydrophobicContact CD2-CG 3.81Å; F348-Y480 HydrophobicContact CE1-CD1 4.37Å; F348-Y480 HydrophobicContact CE1-CD2 4Å; F348-Y480 HydrophobicContact CE1-CE1 4.06Å; F348-Y480 AromaticContact CE1-CE2 3.68Å; F348-Y480 HydrophobicContact CE1-CE2 3.68Å; F348-Y480 HydrophobicContact CE1-CG 4.32Å; F348-Y480 AromaticContact CE1-CZ 3.69Å; F348-Y480 HydrophobicContact CE2-CD1 4.25Å; F348-Y480 HydrophobicContact CE2-CG 4.29Å; F348-Y480 HydrophobicContact CG-CD1 4.34Å; F348-Y480 AromaticContact CG-CD2 3.41Å; F348-Y480 HydrophobicContact CG-CD2 3.41Å; F348-Y480 VanDerWaalsContact CG-CD2 3.41Å; F348-Y480 AromaticContact CG-CE2 3.94Å; F348-Y480 HydrophobicContact CG-CE2 3.94Å; F348-Y480 AromaticContact CG-CG 3.63Å; F348-Y480 HydrophobicContact CG-CG 3.63Å; F348-Y480 HydrophobicContact CZ-CD1 4.32Å; F348-Y480 HydrophobicContact CZ-CE1 4.18Å
349I91.2Very high81.3Confident1 Ų115 Ų151%0.0059%0.088CC..THydrogen-bonded Turntrans-111.5-16.2-17362.4161000113V248 F251 R252 W255 G346 G347 A378 A479V248-I349 HydrophobicContact CG2-CB 4.26Å; V248-I349 HydrophobicContact CG2-CD1 3.44Å; V248-I349 VanDerWaalsContact CG2-CD1 3.44Å; V248-I349 HydrophobicContact CG2-CG1 4.41Å; V248-I349 HydrophobicContact CG2-CG2 3.83Å; F251-I349 HydrophobicContact CB-CD1 4.33Å; R252-I349 WeakPolarHBondContact CB-O 3.46Å; R252-I349 WeakPolarHBondContact CD-O 3.48Å; R252-I349 WeakPolarHBondContact CG-O 3.42Å; R252-I349 PolarHBondContact NE-O 3.05Å; W255-I349 HydrophobicContact CE3-CD1 4.11Å; W255-I349 HydrophobicContact CE3-CG1 4.24Å; W255-I349 HydrophobicContact CZ3-CD1 3.75Å; W255-I349 HydrophobicContact CZ3-CG1 3.95Å; G346-I349 WeakPolarHBondContact O-CG1 3.21Å; G346-I349 PolarHBondContact O-N 3.07Å; G346-I349 VanDerWaalsContact O-N 3.08Å; G347-I349 PolarHBondContact O-N 3.33Å; I349-A378 WeakPolarHBondContact CA-O 3.48Å; I349-A378 HydrophobicContact CG2-CB 4.23Å; I349-A479 HydrophobicContact CG2-CB 3.7Å
350A86.4Confident79.3Confident0 Ų015.3 Ų15.30%09%0.09CC..SBendtrans-144.8175.6-167.900000112.8R252 W255 G346R252-A350 HydrophobicContact CB-CB 4.35Å; R252-A350 HydrophobicContact CG-CB 4.27Å; W255-A350 HydrophobicContact CB-CB 3.99Å; W255-A350 HydrophobicContact CE3-CB 3.93Å; G346-A350 PolarHBondContact O-N 2.91Å
351T82.5Confident77.3Confident17 Ų1720.6 Ų20.610%0.10412%0.117CC..  trans65.9175.9176.172.30000114S256 E259 H344 G345 T355S256-T351 PolarHBondContact OG-N 3.44Å; E259-T351 VanDerWaalsContact OE1-CA 3.25Å; E259-T351 WeakPolarHBondContact OE1-CA 3.32Å; H344-T351 PolarHBondContact CE1-O 3.07Å; H344-T351 VanDerWaalsContact CE1-O 3.25Å; H344-T351 PolarHBondContact ND1-OG1 3.03Å; G345-T351 PolarHBondContact O-OG1 2.9Å; T351-T355 HydrophobicContact CG2-CG2 4.28Å
352S80.2Confident76Confident14 Ų1420.9 Ų20.910%0.09812%0.118CC..  trans-158.9178.6-17570.10000110.3E259 D354 T355 D374E259-S352 VanDerWaalsContact CD-OG 3.22Å; E259-S352 VanDerWaalsContact OE1-CB 3.31Å; E259-S352 WeakPolarHBondContact OE1-CB 3.27Å; E259-S352 PolarHBondContact OE1-N 2.67Å; E259-S352 PolarHBondContact OE1-OG 2.9Å; S352-D354 PolarHBondContact O-N 2.98Å; S352-D354 PolarHBondContact OG-N 3.16Å; S352-T355 PolarHBondContact O-N 2.89Å; S352-T355 PolarHBondContact O-OG1 3.4Å; S352-D374 WeakPolarHBondContact CB-OD1 3.34Å
353T75.7Confident74.7Confident2 Ų219.9 Ų19.91%0.01211%0.114CC..THydrogen-bonded Turntrans-57.3-11170.258.50000114.9R313 K315 S372 D374R313-T353 PolarHBondContact NH1-OG1 3.02Å; K315-T353 HydrophobicContact CB-CG2 3.83Å; K315-T353 WeakPolarHBondContact CD-O 3.37Å; K315-T353 WeakPolarHBondContact CD-OG1 3.38Å; K315-T353 PolarHBondContact NZ-O 3.44Å; T353-S372 VanDerWaalsContact CG2-CB 3.47Å; T353-S372 WeakPolarHBondContact CG2-O 3.13Å; T353-S372 WeakPolarHBondContact CG2-OG 3.43Å; T353-D374 WeakPolarHBondContact CB-OD1 3.49Å; T353-D374 HydrophobicContact CG2-CB 4.49Å; T353-D374 VanDerWaalsContact CG2-CG 3.44Å; T353-D374 WeakPolarHBondContact CG2-OD1 3.25Å; T353-D374 PolarHBondContact N-OD1 3.07Å; T353-D374 PolarHBondContact OG1-OD1 3.03Å; T353-D374 PolarHBondContact OG1-OD2 3.48Å
354D68.2Low73.5Confident55 Ų5525.4 Ų25.429%0.29414%0.138SC..THydrogen-bonded Turntrans-85.6-20.9177.8-68.3-41.9000113.7R267 R313 K315 S352R267-D354 PolarHBondContact NH1-O 2.81Å; R267-D354 VanDerWaalsContact NH1-O 3.08Å; R313-D354 IonicContact NH1-OD2 3.85Å; R313-D354 IonicContact NH2-OD2 3.51Å; R313-D354 PolarHBondContact NH2-OD2 3.03Å; K315-D354 IonicContact NZ-OD1 3.47Å; K315-D354 PolarHBondContact NZ-OD1 3.25Å; S352-D354 PolarHBondContact O-N 2.98Å; S352-D354 PolarHBondContact OG-N 3.16Å
355T57.6Low72.8Confident8 Ų830 Ų305%0.04916%0.155CC..THydrogen-bonded Turntrans-75.9-36.2173.144.80000112.6E259 R267 T351 S352 E357E259-T355 HydrophobicContact CG-CG2 3.42Å; E259-T355 VanDerWaalsContact CG-CG2 3.42Å; E259-T355 VanDerWaalsContact OE1-CG2 3.3Å; E259-T355 WeakPolarHBondContact OE1-CG2 3.48Å; R267-T355 VanDerWaalsContact CZ-O 3.32Å; R267-T355 PolarHBondContact NH1-O 2.94Å; R267-T355 PolarHBondContact NH2-O 3.21Å; T351-T355 HydrophobicContact CG2-CG2 4.28Å; S352-T355 PolarHBondContact O-N 2.89Å; S352-T355 PolarHBondContact O-OG1 3.4Å; T355-E357 PolarHBondContact O-N 2.82Å
356H54.6Low72.3Confident24 Ų2431 Ų3111%0.11116%0.16CC..THydrogen-bonded Turntrans-94.529.6-170.9-63.7-94.2000114.7H342 H344 V358 D416H342-H356 AromaticContact CE1-CG 3.93Å; H344-H356 WeakPolarHBondContact CB-CD2 2.93Å; H344-H356 WeakPolarHBondContact CB-NE2 3.31Å; H356-V358 PolarHBondContact O-N 3.4Å; H356-D416 IonicContact CE1-OD1 2.76Å; H356-D416 PolarHBondContact CE1-OD1 3.34Å; H356-D416 IonicContact CE1-OD2 2.72Å; H356-D416 PolarHBondContact CE1-OD2 2.75Å; H356-D416 IonicContact ND1-OD1 3.89Å; H356-D416 IonicContact NE2-OD1 3.88Å
357E56.4Low72Confident34 Ų3433.5 Ų33.516%0.15918%0.175CC..  trans-66.587165.3-66.5-172.9172.100109.3R267 N277 K315 T355R267-E357 PolarHBondContact NH2-O 2.8Å; N277-E357 PolarHBondContact ND2-OE1 3.49Å; K315-E357 WeakPolarHBondContact CE-OE1 3.45Å; K315-E357 IonicContact NZ-OE1 3.39Å; K315-E357 PolarHBondContact NZ-OE1 3.46Å; T355-E357 PolarHBondContact O-N 2.82Å
358V55.7Low71.9Confident52 Ų5233 Ų3332%0.31517%0.17SC..  trans-42.5138162.6174.70000108H356 A360 E362 I363H356-V358 PolarHBondContact O-N 3.4Å; V358-A360 PolarHBondContact O-N 2.86Å; V358-E362 HydrophobicContact CG1-CB 3.36Å; V358-E362 HydrophobicContact CG1-CG 4.38Å; V358-E362 VanDerWaalsContact CG1-OE2 3.25Å; V358-E362 WeakPolarHBondContact CG1-OE2 3.17Å; V358-I363 HydrophobicContact CB-CD1 4.06Å; V358-I363 HydrophobicContact CB-CG1 3.8Å; V358-I363 HydrophobicContact CG1-CG1 3.83Å; V358-I363 WeakPolarHBondContact O-CD1 3.15Å
359D56.4Low71.8Confident48 Ų4832.9 Ų32.926%0.25717%0.169SC..  trans-51.9137.4-176.5-85.5-22.8000109.1I361 E362 I363 R751D359-I361 PolarHBondContact O-N 3.32Å; D359-E362 HydrophobicContact CB-CG 4.33Å; D359-E362 WeakPolarHBondContact O-CA 3.48Å; D359-E362 WeakPolarHBondContact O-CB 3.38Å; D359-E362 PolarHBondContact O-N 2.9Å; D359-I363 PolarHBondContact O-N 3.43Å; D359-I363 VanDerWaalsContact O-N 3.13Å; D359-R751 IonicContact OD2-CZ 3.43Å; D359-R751 IonicContact OD2-NH1 2.7Å; D359-R751 PolarHBondContact OD2-NH1 2.94Å; D359-R751 IonicContact OD2-NH2 3.68Å
360A53.9Low72Confident5 Ų533.7 Ų33.74%0.04117%0.173CC..Hα-helixtrans-58.7-20.8-175.700000113.1P272 I274 V358 K364P272-A360 HydrophobicContact CB-CB 3.78Å; P272-A360 HydrophobicContact CG-CB 3.45Å; P272-A360 VanDerWaalsContact CG-CB 3.45Å; I274-A360 HydrophobicContact CD1-CB 4.46Å; I274-A360 HydrophobicContact CG1-CB 3.61Å; V358-A360 PolarHBondContact O-N 2.86Å; A360-K364 VanDerWaalsContact O-CB 3.3Å; A360-K364 WeakPolarHBondContact O-CB 3.41Å; A360-K364 WeakPolarHBondContact O-CD 3.48Å; A360-K364 WeakPolarHBondContact O-CG 3.19Å; A360-K364 PolarHBondContact O-N 2.91Å
361I54.1Low72.4Confident117 Ų11733.7 Ų33.760%0.617%0.173SC*.Hα-helixtrans-63.5-45.9171.5-66.1170.2000110.8D359 K364 R365D359-I361 PolarHBondContact O-N 3.32Å; I361-K364 WeakPolarHBondContact O-CB 3.34Å; I361-K364 PolarHBondContact O-N 3.4Å; I361-R365 PolarHBondContact O-N 2.96Å
362E69.4Low73Confident6 Ų633 Ų333%0.02817%0.169CC..Hα-helixtrans-69.6-43.2-179.2-71.4172.2178.100110.9V358 D359 K364 R365 L755 I758V358-E362 HydrophobicContact CG1-CB 3.36Å; V358-E362 HydrophobicContact CG1-CG 4.38Å; V358-E362 VanDerWaalsContact CG1-OE2 3.25Å; V358-E362 WeakPolarHBondContact CG1-OE2 3.17Å; D359-E362 HydrophobicContact CB-CG 4.33Å; D359-E362 WeakPolarHBondContact O-CA 3.48Å; D359-E362 WeakPolarHBondContact O-CB 3.38Å; D359-E362 PolarHBondContact O-N 2.9Å; E362-K364 VanDerWaalsContact C-N 3.3Å; E362-K364 PolarHBondContact O-N 3.43Å; E362-R365 WeakPolarHBondContact O-CB 2.9Å; E362-R365 PolarHBondContact O-N 3.46Å; E362-R365 VanDerWaalsContact O-N 3.12Å; E362-L755 HydrophobicContact CG-CD2 4.22Å; E362-I758 HydrophobicContact CB-CD1 3.47Å; E362-I758 VanDerWaalsContact CB-CD1 3.47Å; E362-I758 VanDerWaalsContact CD-CD1 3.47Å; E362-I758 HydrophobicContact CG-CD1 3.4Å; E362-I758 VanDerWaalsContact CG-CD1 3.4Å
363I69.5Low73.7Confident4 Ų432.3 Ų32.32%0.02117%0.165CC..Hα-helixtrans-62.2-37.1173.5-63.4168.1000111.7I274 I317 V358 D359 R365 L366 I370I274-I363 HydrophobicContact CD1-CD1 3.49Å; I274-I363 VanDerWaalsContact CD1-CD1 3.49Å; I274-I363 HydrophobicContact CG1-CD1 4.36Å; I317-I363 HydrophobicContact CG2-CD1 3.93Å; I317-I363 HydrophobicContact CG2-CG2 4.3Å; V358-I363 HydrophobicContact CB-CD1 4.06Å; V358-I363 HydrophobicContact CB-CG1 3.8Å; V358-I363 HydrophobicContact CG1-CG1 3.83Å; V358-I363 WeakPolarHBondContact O-CD1 3.15Å; D359-I363 PolarHBondContact O-N 3.43Å; D359-I363 VanDerWaalsContact O-N 3.13Å; I363-R365 VanDerWaalsContact C-N 3.26Å; I363-R365 PolarHBondContact O-N 3.4Å; I363-L366 PolarHBondContact O-N 3.1Å; I363-I370 HydrophobicContact CG1-CD1 4.29Å; I363-I370 HydrophobicContact CG2-CD1 4.13Å
364K70.8Confident74.6Confident116 Ų11633.2 Ų33.250%0.50417%0.17SC..Hα-helixtrans-60.6-35.1175.8-85171.7-176-178.10112.1A360 I361 E362 S367A360-K364 VanDerWaalsContact O-CB 3.3Å; A360-K364 WeakPolarHBondContact O-CB 3.41Å; A360-K364 WeakPolarHBondContact O-CD 3.48Å; A360-K364 WeakPolarHBondContact O-CG 3.19Å; A360-K364 PolarHBondContact O-N 2.91Å; I361-K364 WeakPolarHBondContact O-CB 3.34Å; I361-K364 PolarHBondContact O-N 3.4Å; E362-K364 VanDerWaalsContact C-N 3.3Å; E362-K364 PolarHBondContact O-N 3.43Å; K364-S367 PolarHBondContact O-OG 3.04Å
365R77.7Confident76Confident99 Ų9931 Ų3137%0.37416%0.157SC..Hα-helixtrans-65.2-40179.5-63.9174.855.4168.5-2.9112.5I361 E362 I363 S367 E762I361-R365 PolarHBondContact O-N 2.96Å; E362-R365 WeakPolarHBondContact O-CB 2.9Å; E362-R365 PolarHBondContact O-N 3.46Å; E362-R365 VanDerWaalsContact O-N 3.12Å; I363-R365 VanDerWaalsContact C-N 3.26Å; I363-R365 PolarHBondContact O-N 3.4Å; R365-S367 VanDerWaalsContact C-N 3.29Å; R365-S367 PolarHBondContact O-N 3.12Å; R365-E762 WeakPolarHBondContact CB-OE1 3.05Å; R365-E762 IonicContact CZ-OE1 2.66Å; R365-E762 IonicContact CZ-OE2 2.65Å; R365-E762 IonicContact NE-OE1 3.18Å; R365-E762 PolarHBondContact NE-OE1 3.34Å; R365-E762 IonicContact NE-OE2 3.59Å; R365-E762 IonicContact NH2-OE1 3.13Å; R365-E762 PolarHBondContact NH2-OE1 2.94Å; R365-E762 IonicContact NH2-OE2 2.84Å; R365-E762 PolarHBondContact NH2-OE2 2.83Å
366L82.6Confident77.8Confident20 Ų2031.8 Ų31.811%0.10516%0.163CC..Hα-helixtrans-66.7-26.1-175.7-66.6171.4000114.3I340 I363 C368 I370 I758 V761 E762 L765I340-L366 HydrophobicContact CD1-CD1 3.79Å; I363-L366 PolarHBondContact O-N 3.1Å; L366-C368 PolarHBondContact O-N 2.89Å; L366-I370 HydrophobicContact CD1-CD1 4.39Å; L366-I758 HydrophobicContact CD2-CG2 4.14Å; L366-I758 HydrophobicContact CG-CG2 4.42Å; L366-V761 HydrophobicContact CD2-CB 3.96Å; L366-V761 HydrophobicContact CD2-CG1 3.59Å; L366-E762 HydrophobicContact CD2-CG 3.81Å; L366-L765 HydrophobicContact CD2-CD1 4.45Å
367S83.8Confident79.7Confident68 Ų6832.1 Ų32.148%0.47617%0.165SC..  trans50.525.8179-61.80000115.1R322 K364 R365R322-S367 PolarHBondContact NH1-O 2.87Å; R322-S367 PolarHBondContact NH2-O 3.17Å; K364-S367 PolarHBondContact O-OG 3.04Å; R365-S367 VanDerWaalsContact C-N 3.29Å; R365-S367 PolarHBondContact O-N 3.12Å
368C89.2Confident81.3Confident1 Ų130.5 Ų30.51%0.00716%0.158CC..SBendtrans-115.6171.2-178.671.20000113.7S318 R322 S338 I340 L366 L765S318-C368 PolarHBondContact OG-O 3.08Å; S318-C368 VanDerWaalsContact OG-O 3.12Å; R322-C368 VanDerWaalsContact CZ-C 3.45Å; R322-C368 VanDerWaalsContact NH2-CA 3.26Å; R322-C368 VanDerWaalsContact NH2-N 3.14Å; R322-C368 PolarHBondContact NH2-O 3.27Å; S338-C368 WeakPolarHBondContact O-CB 3.3Å; S338-C368 VanDerWaalsContact OG-CB 3.28Å; S338-C368 WeakPolarHBondContact OG-CB 3.17Å; I340-C368 WeakPolarHBondContact CD1-SG 2.97Å; L366-C368 PolarHBondContact O-N 2.89Å; C368-L765 HydrophobicContact CB-CD1 3.91Å
369T92.5Very high82.9Confident0 Ų029.3 Ų29.30%015%0.151CC..EExtended strand (participates in β ladder)trans-84.3135.9165.4-64.70000108.6L316 R322 S338 L339 I340 V371 L404L316-T369 HydrophobicContact CD1-CG2 3.33Å; R322-T369 VanDerWaalsContact CD-OG1 3.22Å; R322-T369 WeakPolarHBondContact CD-OG1 3.09Å; R322-T369 PolarHBondContact NE-OG1 2.88Å; S338-T369 PolarHBondContact O-N 3.18Å; L339-T369 CarbonylContact C-O 3.57Å; L339-T369 VanDerWaalsContact CA-O 3.3Å; L339-T369 WeakPolarHBondContact CA-O 3.37Å; L339-T369 HydrophobicContact CD1-CG2 4.3Å; I340-T369 PolarHBondContact N-O 3.45Å; T369-V371 HydrophobicContact CG2-CG2 4.47Å; T369-L404 WeakPolarHBondContact CG2-O 2.95Å; T369-L404 PolarHBondContact OG1-O 3.16Å; T369-L404 VanDerWaalsContact OG1-O 3.09Å
370I93.8Very high84.3Confident17 Ų1729.6 Ų29.69%0.08715%0.151CC..EExtended strand (participates in β ladder)trans-115.2126.5174.7-52.9175.7000108.2L316 I317 I340 H342 I363 L366L316-I370 WeakPolarHBondContact CA-O 3.41Å; I317-I370 HydrophobicContact CB-CB 4.19Å; I317-I370 PolarHBondContact N-O 3Å; I317-I370 PolarHBondContact O-N 3.38Å; I340-I370 HydrophobicContact CB-CB 4.48Å; I340-I370 HydrophobicContact CB-CG1 4.18Å; I340-I370 HydrophobicContact CB-CG2 4.32Å; I340-I370 HydrophobicContact CD1-CG1 4.25Å; I340-I370 HydrophobicContact CG2-CG2 4.21Å; I340-I370 CarbonylContact O-C 3.55Å; I340-I370 WeakPolarHBondContact O-CA 3.1Å; H342-I370 HydrophobicContact CB-CG2 4.33Å; I363-I370 HydrophobicContact CG1-CD1 4.29Å; I363-I370 HydrophobicContact CG2-CD1 4.13Å; L366-I370 HydrophobicContact CD1-CD1 4.39Å
371V95.4Very high86Confident0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-112.7114.3170.2178.50000107.2L314 K315 L316 L339 I340 L341 H342 T369 L404L314-V371 HydrophobicContact CB-CG1 4.37Å; L314-V371 HydrophobicContact CD1-CG1 4.13Å; L314-V371 HydrophobicContact CD2-CG1 4.31Å; K315-V371 WeakPolarHBondContact O-CA 3.35Å; L316-V371 HydrophobicContact CD1-CG2 3.98Å; L339-V371 HydrophobicContact CD1-CG2 3.9Å; L339-V371 HydrophobicContact CG-CG2 4.43Å; I340-V371 PolarHBondContact O-N 3.12Å; L341-V371 CarbonylContact C-O 3.54Å; L341-V371 WeakPolarHBondContact CA-O 3.1Å; L341-V371 HydrophobicContact CD1-CB 4.24Å; L341-V371 HydrophobicContact CD1-CG1 4.09Å; H342-V371 PolarHBondContact N-O 2.99Å; T369-V371 HydrophobicContact CG2-CG2 4.47Å; V371-L404 HydrophobicContact CG2-CD1 4.19Å; V371-L404 HydrophobicContact CG2-CD2 3.55Å; V371-L404 HydrophobicContact CG2-CG 4.47Å
372S95.1Very high87.8Confident3 Ų324.7 Ų24.72%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-103.8134.3175.4-177.80000109.9L314 K315 H342 T353L314-S372 WeakPolarHBondContact CA-O 3.03Å; K315-S372 PolarHBondContact N-O 3.12Å; K315-S372 PolarHBondContact O-N 2.69Å; H342-S372 PolarHBondContact ND1-OG 3.01Å; H342-S372 WeakPolarHBondContact O-CA 3.22Å; T353-S372 VanDerWaalsContact CG2-CB 3.47Å; T353-S372 WeakPolarHBondContact CG2-O 3.13Å; T353-S372 WeakPolarHBondContact CG2-OG 3.43Å
373V96.1Very high88.9Confident0 Ų024.6 Ų24.60%013%0.126CC..EExtended strand (participates in β ladder)trans-96.6124.8-175.6-1720000110.1L312 L314 L341 H342 H344 Y375 V390 A393L312-V373 HydrophobicContact CD1-CG1 4.05Å; L312-V373 HydrophobicContact CD2-CG1 4.11Å; L312-V373 HydrophobicContact CG-CG1 4.37Å; L314-V373 HydrophobicContact CD2-CB 4.09Å; L314-V373 HydrophobicContact CD2-CG1 3.98Å; L314-V373 HydrophobicContact CD2-CG2 3.87Å; L341-V373 HydrophobicContact CD1-CG2 3.6Å; L341-V373 HydrophobicContact CG-CG2 4.46Å; H342-V373 PolarHBondContact O-N 2.85Å; H344-V373 PolarHBondContact CD2-O 2.95Å; V373-Y375 PolarHBondContact O-N 3.32Å; V373-V390 HydrophobicContact CG1-CG2 4.32Å; V373-A393 HydrophobicContact CG1-CB 4.35Å; V373-A393 HydrophobicContact CG2-CB 3.86Å
374D94.2Very high90Very high21 Ų2124.4 Ų24.411%0.11213%0.126CC..EExtended strand (participates in β ladder)trans-90.381.2164.6-67.4-53.2000108.5L312 R313 S352 T353L312-D374 WeakPolarHBondContact CD1-O 3.38Å; R313-D374 HydrophobicContact CB-CB 4.02Å; R313-D374 WeakPolarHBondContact CD-OD2 3.31Å; R313-D374 HydrophobicContact CG-CB 4.32Å; R313-D374 VanDerWaalsContact CG-OD2 3.25Å; R313-D374 WeakPolarHBondContact CG-OD2 3.37Å; R313-D374 IonicContact CZ-OD2 2.75Å; R313-D374 VanDerWaalsContact CZ-OD2 3.31Å; R313-D374 IonicContact NE-OD2 2.68Å; R313-D374 PolarHBondContact NE-OD2 2.88Å; R313-D374 VanDerWaalsContact NH1-CG 3.34Å; R313-D374 IonicContact NH1-OD1 3.86Å; R313-D374 IonicContact NH1-OD2 2.7Å; R313-D374 PolarHBondContact NH1-OD2 3.21Å; R313-D374 PolarHBondContact O-N 3.02Å; S352-D374 WeakPolarHBondContact CB-OD1 3.34Å; T353-D374 WeakPolarHBondContact CB-OD1 3.49Å; T353-D374 HydrophobicContact CG2-CB 4.49Å; T353-D374 VanDerWaalsContact CG2-CG 3.44Å; T353-D374 WeakPolarHBondContact CG2-OD1 3.25Å; T353-D374 PolarHBondContact N-OD1 3.07Å; T353-D374 PolarHBondContact OG1-OD1 3.03Å; T353-D374 PolarHBondContact OG1-OD2 3.48Å
375Y96.4Very high91.1Very high7 Ų718.9 Ų18.93%0.02710%0.102CC..PPolyproline II helixtrans-69.1154.4177.557.4-96.2000110.7C343 H344 G345 V373 L377 A386 L422C343-Y375 HydrophobicContact CB-CE1 4.34Å; H344-Y375 AromaticContact CD2-CE1 3.97Å; H344-Y375 AromaticContact CE1-CE1 3.83Å; H344-Y375 AromaticContact CE1-CZ 3.66Å; H344-Y375 AromaticContact ND1-CZ 3.99Å; H344-Y375 AromaticContact NE2-CE1 3.75Å; H344-Y375 PolarHBondContact O-OH 3.37Å; G345-Y375 PolarHBondContact O-OH 2.84Å; V373-Y375 PolarHBondContact O-N 3.32Å; Y375-L377 HydrophobicContact CD2-CD2 4.25Å; Y375-L377 HydrophobicContact CE2-CD2 3.81Å; Y375-L377 PolarHBondContact O-N 3.07Å; Y375-A386 HydrophobicContact CD2-CB 3.74Å; Y375-A386 HydrophobicContact CG-CB 4.14Å; Y375-L422 HydrophobicContact CD1-CD1 3.66Å; Y375-L422 HydrophobicContact CD2-CD1 3.95Å; Y375-L422 HydrophobicContact CE1-CD1 3.54Å; Y375-L422 HydrophobicContact CE2-CD1 3.87Å; Y375-L422 HydrophobicContact CG-CD1 3.86Å
376S95.6Very high92Very high26 Ų2614.2 Ų14.218%0.1828%0.084CC..PPolyproline II helixtrans-64.2134.7178.8-650000110.7R385 E389S376-R385 PolarHBondContact OG-NE 3.06Å; S376-E389 VanDerWaalsContact CB-OE2 3.23Å; S376-E389 WeakPolarHBondContact CB-OE2 2.92Å; S376-E389 PolarHBondContact N-OE2 3.07Å; S376-E389 VanDerWaalsContact OG-CD 3.29Å; S376-E389 PolarHBondContact OG-OE1 2.87Å; S376-E389 PolarHBondContact OG-OE2 3.24Å
377L94.2Very high92.7Very high30 Ų3013.3 Ų13.316%0.1578%0.079CC..PPolyproline II helixtrans-90150.7-175.6-58.5176.9000112F348 Y375 A381F348-L377 WeakPolarHBondContact O-CA 3.24Å; Y375-L377 HydrophobicContact CD2-CD2 4.25Å; Y375-L377 HydrophobicContact CE2-CD2 3.81Å; Y375-L377 PolarHBondContact O-N 3.07Å; L377-A381 WeakPolarHBondContact O-CB 3.2Å; L377-A381 PolarHBondContact O-N 3.24Å
378A91.6Very high93.4Very high1 Ų110.6 Ų10.61%0.0086%0.059CC..THydrogen-bonded Turntrans-82.6156.2168.200000111.2F348 I349 E380 A479F348-A378 PolarHBondContact O-N 3.03Å; I349-A378 WeakPolarHBondContact CA-O 3.48Å; I349-A378 HydrophobicContact CG2-CB 4.23Å; A378-E380 VanDerWaalsContact C-OE2 3.3Å; A378-A479 VanDerWaalsContact CB-C 3.46Å; A378-A479 HydrophobicContact CB-CB 3.88Å; A378-A479 WeakPolarHBondContact CB-O 3.33Å
379P88.4Confident93.8Very high26 Ų2610.6 Ų10.617%0.1696%0.059CC..THydrogen-bonded Turncis-82.7-4.94.634.3-37.4000115.4V248 A381 P382 A479V248-P379 HydrophobicContact CG1-CG 4.11Å; P379-A381 VanDerWaalsContact C-N 3.29Å; P379-A381 PolarHBondContact O-N 2.8Å; P379-P382 VanDerWaalsContact O-CD 3.27Å; P379-P382 WeakPolarHBondContact O-CD 3.42Å; P379-P382 VanDerWaalsContact O-CG 3.31Å; P379-P382 WeakPolarHBondContact O-CG 3.04Å; P379-A479 HydrophobicContact CB-CB 4.01Å
380E85.9Confident94Very high54 Ų5410.6 Ų10.625%0.2526%0.059SC..THydrogen-bonded Turntrans-67.9-32.1-176.5-58.691.9144.400112R252 T307 A378R252-E380 IonicContact CZ-OE1 3.74Å; R252-E380 VanDerWaalsContact NH1-CD 3.35Å; R252-E380 IonicContact NH1-OE1 2.95Å; R252-E380 PolarHBondContact NH1-OE1 2.99Å; R252-E380 IonicContact NH1-OE2 3.81Å; R252-E380 PolarHBondContact NH1-OE2 3.14Å; T307-E380 WeakPolarHBondContact CG2-O 3.44Å; A378-E380 VanDerWaalsContact C-OE2 3.3Å
381A90.5Very high94.2Very high4 Ų49.8 Ų9.83%0.0336%0.055CC..SBendtrans-128.574.9178.700000111.5T307 L377 P379 R385T307-A381 HydrophobicContact CG2-CB 4.45Å; L377-A381 WeakPolarHBondContact O-CB 3.2Å; L377-A381 PolarHBondContact O-N 3.24Å; P379-A381 VanDerWaalsContact C-N 3.29Å; P379-A381 PolarHBondContact O-N 2.8Å; A381-R385 HydrophobicContact CB-CB 3.99Å; A381-R385 HydrophobicContact CB-CG 3.59Å
382P91Very high94.4Very high16 Ų169.8 Ų9.810%0.1046%0.055CC..  trans-63.5173.5176.6-20.733.8000112.8H306 P379 R385 Y480H306-P382 PolarHBondContact CD2-O 2.92Å; H306-P382 PolarHBondContact NE2-O 3.31Å; P379-P382 VanDerWaalsContact O-CD 3.27Å; P379-P382 WeakPolarHBondContact O-CD 3.42Å; P379-P382 VanDerWaalsContact O-CG 3.31Å; P379-P382 WeakPolarHBondContact O-CG 3.04Å; P382-R385 VanDerWaalsContact O-CB 3.22Å; P382-R385 WeakPolarHBondContact O-CB 3.35Å; P382-R385 PolarHBondContact O-N 3.44Å; P382-Y480 CarbonylContact C-O 3.59Å; P382-Y480 WeakPolarHBondContact CA-O 3.21Å; P382-Y480 WeakPolarHBondContact CB-O 3.48Å
383Y91.7Very high94.5Very high3 Ų39.7 Ų9.71%0.0125%0.054CC..THydrogen-bonded Turntrans-48.5136.2169.6178.8-94.6000110.9H306 I387 Y480 P492 R493 V495 D681 F683 I684H306-Y383 PolarHBondContact NE2-O 3.38Å; Y383-I387 HydrophobicContact CD2-CG2 4.14Å; Y383-I387 HydrophobicContact CE2-CG2 3.85Å; Y383-Y480 WeakPolarHBondContact CB-O 3.08Å; Y383-Y480 HydrophobicContact CD2-CE1 4.38Å; Y383-Y480 PolarHBondContact N-O 3.47Å; Y383-P492 HydrophobicContact CD1-CB 3.95Å; Y383-P492 HydrophobicContact CE1-CB 4.08Å; Y383-R493 WeakPolarHBondContact CD1-O 3.35Å; Y383-R493 WeakPolarHBondContact CE1-O 3.33Å; Y383-V495 HydrophobicContact CE2-CG2 4.29Å; Y383-D681 WeakPolarHBondContact CE1-OD2 3.18Å; Y383-D681 PolarHBondContact OH-OD2 2.55Å; Y383-F683 HydrophobicContact CE2-CB 4.25Å; Y383-I684 HydrophobicContact CD1-CD1 3.68Å; Y383-I684 HydrophobicContact CD1-CG1 4Å; Y383-I684 HydrophobicContact CD2-CD1 4.36Å; Y383-I684 HydrophobicContact CD2-CG1 3.83Å; Y383-I684 HydrophobicContact CE1-CD1 3.83Å; Y383-I684 HydrophobicContact CE1-CG1 3.9Å; Y383-I684 HydrophobicContact CE2-CG1 3.79Å; Y383-I684 HydrophobicContact CG-CD1 3.96Å; Y383-I684 HydrophobicContact CG-CG1 3.95Å
384P93.5Very high94.6Very high1 Ų19.7 Ų9.71%0.0065%0.054CC..THydrogen-bonded Turncis-95.619.28.937.8-37.1000114.9A305 A386 I387 E388 R493 V495A305-P384 HydrophobicContact CB-CG 4.37Å; P384-A386 PolarHBondContact O-N 3.13Å; P384-I387 HydrophobicContact CB-CG2 3.99Å; P384-I387 WeakPolarHBondContact O-CG2 3.05Å; P384-I387 PolarHBondContact O-N 3.06Å; P384-E388 HydrophobicContact CB-CG 4.26Å; P384-E388 HydrophobicContact CG-CG 4.42Å; P384-E388 WeakPolarHBondContact O-CB 2.98Å; P384-E388 VanDerWaalsContact O-CG 3.32Å; P384-E388 WeakPolarHBondContact O-CG 3.39Å; P384-E388 PolarHBondContact O-N 3.35Å; P384-R493 WeakPolarHBondContact CD-O 3.41Å; P384-R493 HydrophobicContact CG-CB 4.17Å; P384-R493 WeakPolarHBondContact CG-O 3.23Å; P384-V495 HydrophobicContact CB-CG2 3.92Å
385R94.8Very high94.8Very high0 Ų08.7 Ų8.70%05%0.049CC..Hα-helixtrans-56-54.5-168.5177.357.4176.2-112.14.1114.3S303 A305 T307 G308 S376 A381 P382 I387 E388 E389S303-R385 WeakPolarHBondContact OG-CD 3.37Å; A305-R385 HydrophobicContact CB-CB 4.22Å; A305-R385 PolarHBondContact O-NH1 3.36Å; A305-R385 VanDerWaalsContact O-NH1 3.12Å; T307-R385 PolarHBondContact OG1-NH1 3.4Å; G308-R385 PolarHBondContact O-NH1 3.06Å; S376-R385 PolarHBondContact OG-NE 3.06Å; A381-R385 HydrophobicContact CB-CB 3.99Å; A381-R385 HydrophobicContact CB-CG 3.59Å; P382-R385 VanDerWaalsContact O-CB 3.22Å; P382-R385 WeakPolarHBondContact O-CB 3.35Å; P382-R385 PolarHBondContact O-N 3.44Å; R385-I387 PolarHBondContact O-N 3.16Å; R385-E388 PolarHBondContact O-N 3.2Å; R385-E389 IonicContact CZ-OE1 2.73Å; R385-E389 VanDerWaalsContact CZ-OE1 3.24Å; R385-E389 IonicContact NE-OE1 3.33Å; R385-E389 PolarHBondContact NE-OE1 3.43Å; R385-E389 IonicContact NE-OE2 2.81Å; R385-E389 IonicContact NH2-OE1 3.21Å; R385-E389 PolarHBondContact NH2-OE1 3.33Å; R385-E389 PolarHBondContact O-N 3.34Å
386A96.9Very high94.8Very high1 Ų19 Ų91%0.0085%0.05CC..Hα-helixtrans-62.7-41.6-174.500000112.5Y375 P384 E389 V390 L422 Y480Y375-A386 HydrophobicContact CD2-CB 3.74Å; Y375-A386 HydrophobicContact CG-CB 4.14Å; P384-A386 PolarHBondContact O-N 3.13Å; A386-E389 PolarHBondContact O-N 3.29Å; A386-V390 VanDerWaalsContact O-CG2 3.29Å; A386-V390 WeakPolarHBondContact O-CG2 3.34Å; A386-V390 PolarHBondContact O-N 2.92Å; A386-L422 HydrophobicContact CB-CD1 4.15Å; A386-L422 HydrophobicContact CB-CD2 3.95Å; A386-Y480 HydrophobicContact CB-CE2 4.48Å
387I96.9Very high94.9Very high0 Ų07.8 Ų7.80%04%0.041CC..Hα-helixtrans-68.5-36.6177.5-176.3169.3000112.2Y383 P384 R385 E389 V390 L391 L422 V495 F683Y383-I387 HydrophobicContact CD2-CG2 4.14Å; Y383-I387 HydrophobicContact CE2-CG2 3.85Å; P384-I387 HydrophobicContact CB-CG2 3.99Å; P384-I387 WeakPolarHBondContact O-CG2 3.05Å; P384-I387 PolarHBondContact O-N 3.06Å; R385-I387 PolarHBondContact O-N 3.16Å; I387-E389 VanDerWaalsContact C-N 3.33Å; I387-V390 PolarHBondContact O-N 2.95Å; I387-L391 WeakPolarHBondContact O-CB 3.29Å; I387-L391 PolarHBondContact O-N 3.33Å; I387-L422 HydrophobicContact CB-CD2 4.36Å; I387-V495 HydrophobicContact CD1-CG2 4.05Å; I387-V495 HydrophobicContact CG1-CG2 4.3Å; I387-V495 HydrophobicContact CG2-CG2 3.51Å; I387-F683 HydrophobicContact CD1-CB 4.1Å
388E97.4Very high95.1Very high11 Ų118.4 Ų8.45%0.0514%0.044CC..Hα-helixtrans-63.2-40.1173.6-73.9-173.716100111.6S303 P384 R385 L391 Y392 V495 N496 N497S303-E388 VanDerWaalsContact CB-OE2 3.27Å; S303-E388 WeakPolarHBondContact CB-OE2 3.29Å; S303-E388 PolarHBondContact OG-OE2 3.17Å; P384-E388 HydrophobicContact CB-CG 4.26Å; P384-E388 HydrophobicContact CG-CG 4.42Å; P384-E388 WeakPolarHBondContact O-CB 2.98Å; P384-E388 VanDerWaalsContact O-CG 3.32Å; P384-E388 WeakPolarHBondContact O-CG 3.39Å; P384-E388 PolarHBondContact O-N 3.35Å; R385-E388 PolarHBondContact O-N 3.2Å; E388-L391 PolarHBondContact O-N 2.76Å; E388-Y392 WeakPolarHBondContact O-CB 3.04Å; E388-Y392 PolarHBondContact O-N 3.18Å; E388-V495 HydrophobicContact CG-CB 4.42Å; E388-V495 HydrophobicContact CG-CG1 3.69Å; E388-N496 PolarHBondContact OE1-N 3.42Å; E388-N497 HydrophobicContact CB-CB 4.21Å; E388-N497 HydrophobicContact CG-CB 4.05Å; E388-N497 WeakPolarHBondContact CG-OD1 3.42Å; E388-N497 PolarHBondContact O-ND2 3Å; E388-N497 PolarHBondContact OE1-N 2.99Å
389E97.9Very high95.3Very high1 Ų111.2 Ų11.21%0.0057%0.068CC..Hα-helixtrans-67.2-39.4174.8-75.7176.5154.400112.7L312 S376 R385 A386 I387 Y392 A393L312-E389 HydrophobicContact CD1-CB 3.96Å; L312-E389 HydrophobicContact CD1-CG 4.17Å; L312-E389 HydrophobicContact CD2-CB 4Å; L312-E389 VanDerWaalsContact CD2-O 3.29Å; L312-E389 WeakPolarHBondContact CD2-O 3.05Å; S376-E389 VanDerWaalsContact CB-OE2 3.23Å; S376-E389 WeakPolarHBondContact CB-OE2 2.92Å; S376-E389 PolarHBondContact N-OE2 3.07Å; S376-E389 VanDerWaalsContact OG-CD 3.29Å; S376-E389 PolarHBondContact OG-OE1 2.87Å; S376-E389 PolarHBondContact OG-OE2 3.24Å; R385-E389 IonicContact CZ-OE1 2.73Å; R385-E389 VanDerWaalsContact CZ-OE1 3.24Å; R385-E389 IonicContact NE-OE1 3.33Å; R385-E389 PolarHBondContact NE-OE1 3.43Å; R385-E389 IonicContact NE-OE2 2.81Å; R385-E389 IonicContact NH2-OE1 3.21Å; R385-E389 PolarHBondContact NH2-OE1 3.33Å; R385-E389 PolarHBondContact O-N 3.34Å; A386-E389 PolarHBondContact O-N 3.29Å; I387-E389 VanDerWaalsContact C-N 3.33Å; E389-Y392 WeakPolarHBondContact O-CB 3.4Å; E389-Y392 PolarHBondContact O-N 2.82Å; E389-A393 WeakPolarHBondContact O-CB 3.39Å; E389-A393 PolarHBondContact O-N 3.44Å
390V97.9Very high95.7Very high0 Ų012.2 Ų12.20%07%0.072CC..Hα-helixtrans-67.4-39.5176169.30000111.2V373 A386 I387 Y392 A393 Y394 L422 L423 L426V373-V390 HydrophobicContact CG1-CG2 4.32Å; A386-V390 VanDerWaalsContact O-CG2 3.29Å; A386-V390 WeakPolarHBondContact O-CG2 3.34Å; A386-V390 PolarHBondContact O-N 2.92Å; I387-V390 PolarHBondContact O-N 2.95Å; V390-Y392 VanDerWaalsContact C-N 3.33Å; V390-A393 PolarHBondContact O-N 3.09Å; V390-Y394 WeakPolarHBondContact O-CB 2.84Å; V390-Y394 PolarHBondContact O-N 2.78Å; V390-L422 HydrophobicContact CG2-CD1 4.49Å; V390-L423 HydrophobicContact CG1-CD2 3.95Å; V390-L426 HydrophobicContact CG1-CB 4.19Å; V390-L426 HydrophobicContact CG1-CD1 4.49Å; V390-L426 HydrophobicContact CG1-CD2 3.77Å; V390-L426 HydrophobicContact CG1-CG 4.34Å
391L98.1Very high96.2Very high0 Ų010.5 Ų10.50%07%0.067CC..Hα-helixtrans-61.8-41.9171.3177.760.9000111.6L290 V300 I387 E388 Y394 A395 L426 K429 L430 L433 V495 F498L290-L391 HydrophobicContact CD1-CD1 4.02Å; V300-L391 HydrophobicContact CG1-CD2 4.34Å; V300-L391 HydrophobicContact CG1-CG 3.97Å; I387-L391 WeakPolarHBondContact O-CB 3.29Å; I387-L391 PolarHBondContact O-N 3.33Å; E388-L391 PolarHBondContact O-N 2.76Å; L391-Y394 PolarHBondContact O-N 2.66Å; L391-A395 PolarHBondContact O-N 2.95Å; L391-L426 HydrophobicContact CB-CD1 3.89Å; L391-L426 HydrophobicContact CD1-CD1 3.73Å; L391-L426 HydrophobicContact CG-CD1 4.43Å; L391-K429 HydrophobicContact CD2-CG 4.34Å; L391-L430 HydrophobicContact CD1-CD2 3.68Å; L391-L430 HydrophobicContact CD1-CG 4.43Å; L391-L433 HydrophobicContact CD2-CD1 4.27Å; L391-V495 HydrophobicContact CD2-CG1 4.42Å; L391-F498 HydrophobicContact CD2-CD1 4.46Å
392Y98Very high96.4Very high1 Ų116.9 Ų16.90%0.00410%0.101CC..Hα-helixtrans-64-44.3175.9-173.9-116.8000112.1I282 S283 E286 Y288 V300 A301 L312 E388 E389 V390 Y394 A395 W396I282-Y392 HydrophobicContact CD1-CD1 3.5Å; I282-Y392 HydrophobicContact CD1-CE1 3.41Å; I282-Y392 VanDerWaalsContact CD1-CE1 3.41Å; I282-Y392 HydrophobicContact CG1-CD1 4.34Å; I282-Y392 HydrophobicContact CG1-CE1 3.92Å; S283-Y392 PolarHBondContact O-OH 2.61Å; E286-Y392 WeakPolarHBondContact O-CE2 3.05Å; E286-Y392 PolarHBondContact O-OH 3.18Å; Y288-Y392 HydrophobicContact CD2-CD2 4.06Å; Y288-Y392 AromaticContact CD2-CE2 3.48Å; Y288-Y392 HydrophobicContact CD2-CE2 3.48Å; Y288-Y392 VanDerWaalsContact CD2-CE2 3.48Å; Y288-Y392 AromaticContact CD2-CZ 3.84Å; Y288-Y392 HydrophobicContact CE2-CD2 4.43Å; Y288-Y392 HydrophobicContact CE2-CE1 4.15Å; Y288-Y392 AromaticContact CE2-CE2 3.57Å; Y288-Y392 HydrophobicContact CE2-CE2 3.57Å; Y288-Y392 AromaticContact CE2-CZ 3.4Å; Y288-Y392 VanDerWaalsContact CE2-OH 3.26Å; Y288-Y392 WeakPolarHBondContact CE2-OH 3.47Å; V300-Y392 HydrophobicContact CG1-CD2 4.18Å; A301-Y392 VanDerWaalsContact C-CD2 3.41Å; L312-Y392 HydrophobicContact CD2-CD1 4.45Å; E388-Y392 WeakPolarHBondContact O-CB 3.04Å; E388-Y392 PolarHBondContact O-N 3.18Å; E389-Y392 WeakPolarHBondContact O-CB 3.4Å; E389-Y392 PolarHBondContact O-N 2.82Å; V390-Y392 VanDerWaalsContact C-N 3.33Å; Y392-Y394 VanDerWaalsContact C-N 3.34Å; Y392-Y394 PolarHBondContact O-N 2.77Å; Y392-A395 PolarHBondContact O-N 3.48Å; Y392-W396 WeakPolarHBondContact O-CB 3.27Å; Y392-W396 PolarHBondContact O-N 3.38Å
393A98Very high96.5Very high0 Ų019.4 Ų19.40%011%0.11CC..Hα-helixtrans-62.4-39.717500000112.2L312 L314 V373 E389 V390 W396 C397L312-A393 HydrophobicContact CD2-CB 3.89Å; L314-A393 HydrophobicContact CD2-CB 4.19Å; V373-A393 HydrophobicContact CG1-CB 4.35Å; V373-A393 HydrophobicContact CG2-CB 3.86Å; E389-A393 WeakPolarHBondContact O-CB 3.39Å; E389-A393 PolarHBondContact O-N 3.44Å; V390-A393 PolarHBondContact O-N 3.09Å; A393-W396 PolarHBondContact O-N 2.69Å; A393-C397 WeakPolarHBondContact O-CB 2.89Å; A393-C397 PolarHBondContact O-N 2.88Å; A393-C397 PolarHBondContact O-SG 3.46Å
394Y98.4Very high96.7Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-61.7-50.8175.7178.7-97.2000111.5L290 L341 V390 L391 Y392 W396 C397 L398 I411 L413 L426 L430 R437 L438 P439L290-Y394 HydrophobicContact CD2-CD1 4.4Å; L290-Y394 HydrophobicContact CD2-CE1 4.35Å; L341-Y394 HydrophobicContact CD2-CD2 3.99Å; V390-Y394 WeakPolarHBondContact O-CB 2.84Å; V390-Y394 PolarHBondContact O-N 2.78Å; L391-Y394 PolarHBondContact O-N 2.66Å; Y392-Y394 VanDerWaalsContact C-N 3.34Å; Y392-Y394 PolarHBondContact O-N 2.77Å; Y394-W396 VanDerWaalsContact C-N 3.31Å; Y394-W396 PolarHBondContact O-N 2.66Å; Y394-C397 PolarHBondContact O-N 2.65Å; Y394-C397 VanDerWaalsContact O-N 3.16Å; Y394-L398 HydrophobicContact CD1-CD1 4.19Å; Y394-L398 HydrophobicContact CE1-CD1 3.58Å; Y394-L398 HydrophobicContact CE1-CG 4.36Å; Y394-L398 PolarHBondContact O-N 2.97Å; Y394-I411 HydrophobicContact CD2-CD1 3.99Å; Y394-I411 HydrophobicContact CE2-CD1 3.77Å; Y394-I411 HydrophobicContact CE2-CG2 4.34Å; Y394-L413 HydrophobicContact CD2-CD2 4.44Å; Y394-L426 HydrophobicContact CD2-CD2 4.16Å; Y394-L426 HydrophobicContact CG-CD2 4.2Å; Y394-L430 HydrophobicContact CD1-CD1 3.98Å; Y394-L430 HydrophobicContact CD1-CD2 3.95Å; Y394-L430 HydrophobicContact CE1-CD1 3.6Å; Y394-L430 HydrophobicContact CE1-CD2 3.82Å; Y394-L430 HydrophobicContact CE1-CG 4.39Å; Y394-L430 HydrophobicContact CE2-CD1 4.29Å; Y394-L430 HydrophobicContact CG-CD1 4.46Å; Y394-R437 PolarHBondContact OH-O 2.89Å; Y394-L438 VanDerWaalsContact OH-C 3.29Å; Y394-P439 HydrophobicContact CE2-CG 3.97Å
395A97.7Very high96.7Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-60.8-41.2176.500000111.8L290 V300 L391 Y392 C397 L398 A399L290-A395 HydrophobicContact CD1-CB 4.23Å; L290-A395 HydrophobicContact CD2-CB 3.93Å; L290-A395 HydrophobicContact CG-CB 3.9Å; V300-A395 HydrophobicContact CB-CB 4.11Å; V300-A395 HydrophobicContact CG1-CB 4.45Å; V300-A395 HydrophobicContact CG2-CB 4.14Å; L391-A395 PolarHBondContact O-N 2.95Å; Y392-A395 PolarHBondContact O-N 3.48Å; A395-C397 PolarHBondContact O-N 2.82Å; A395-L398 PolarHBondContact O-N 2.9Å; A395-A399 PolarHBondContact O-N 2.61Å
396W97.7Very high96.8Very high14 Ų1419.3 Ų19.35%0.05311%0.109CC..Hα-helixtrans-59.4-43.3174.2-178.696.8000112.1F280 I282 Y288 L314 Y392 A393 Y394 L398 A399 N400 F403 L404F280-W396 AromaticContact CE2-CH2 3.38Å; F280-W396 HydrophobicContact CE2-CH2 3.38Å; F280-W396 AromaticContact CE2-CZ2 3.61Å; F280-W396 HydrophobicContact CE2-CZ2 3.61Å; F280-W396 HydrophobicContact CE2-CZ3 4.1Å; F280-W396 AromaticContact CZ-CH2 3.32Å; F280-W396 HydrophobicContact CZ-CH2 3.32Å; F280-W396 HydrophobicContact CZ-CZ2 4.06Å; F280-W396 AromaticContact CZ-CZ3 3.78Å; F280-W396 HydrophobicContact CZ-CZ3 3.78Å; I282-W396 HydrophobicContact CD1-CB 4.12Å; I282-W396 HydrophobicContact CD1-CG 4.04Å; I282-W396 HydrophobicContact CG2-CD2 3.79Å; I282-W396 VanDerWaalsContact CG2-CE2 3.44Å; I282-W396 HydrophobicContact CG2-CE3 4.41Å; I282-W396 HydrophobicContact CG2-CG 4.03Å; I282-W396 HydrophobicContact CG2-CZ2 3.9Å; Y288-W396 HydrophobicContact CD2-CB 3.86Å; Y288-W396 HydrophobicContact CD2-CG 4.45Å; Y288-W396 AromaticContact CE1-CD1 3.99Å; Y288-W396 HydrophobicContact CE2-CB 3.86Å; Y288-W396 AromaticContact CE2-CD1 3.38Å; Y288-W396 HydrophobicContact CE2-CG 4.01Å; Y288-W396 HydrophobicContact CG-CB 4.48Å; Y288-W396 AromaticContact CZ-CD1 3.29Å; Y288-W396 VanDerWaalsContact OH-CD1 3.22Å; L314-W396 HydrophobicContact CD1-CD2 4.4Å; L314-W396 HydrophobicContact CD1-CE3 3.78Å; L314-W396 HydrophobicContact CD1-CZ3 3.81Å; Y392-W396 WeakPolarHBondContact O-CB 3.27Å; Y392-W396 PolarHBondContact O-N 3.38Å; A393-W396 PolarHBondContact O-N 2.69Å; Y394-W396 VanDerWaalsContact C-N 3.31Å; Y394-W396 PolarHBondContact O-N 2.66Å; W396-L398 VanDerWaalsContact C-N 3.34Å; W396-L398 PolarHBondContact O-N 2.79Å; W396-A399 PolarHBondContact O-N 3.13Å; W396-N400 HydrophobicContact CD2-CB 4.32Å; W396-N400 HydrophobicContact CH2-CB 4.32Å; W396-N400 HydrophobicContact CZ2-CB 3.98Å; W396-N400 PolarHBondContact NE1-ND2 3.22Å; W396-N400 WeakPolarHBondContact O-CB 3.16Å; W396-N400 PolarHBondContact O-N 3.2Å; W396-N400 PolarHBondContact O-ND2 3.04Å; W396-F403 AromaticContact CH2-CD1 3.8Å; W396-F403 HydrophobicContact CH2-CD1 3.8Å; W396-F403 HydrophobicContact CH2-CE1 4.03Å; W396-F403 AromaticContact CZ2-CD1 3.98Å; W396-F403 HydrophobicContact CZ2-CD1 3.98Å; W396-F403 HydrophobicContact CZ2-CE1 4.2Å; W396-L404 HydrophobicContact CE3-CD1 4.19Å; W396-L404 HydrophobicContact CH2-CD1 4.21Å; W396-L404 HydrophobicContact CH2-CD2 3.85Å; W396-L404 HydrophobicContact CH2-CG 3.98Å; W396-L404 HydrophobicContact CZ3-CD1 3.6Å; W396-L404 HydrophobicContact CZ3-CD2 3.71Å; W396-L404 HydrophobicContact CZ3-CG 3.84Å
397C97.7Very high96.7Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-62.7-39.6179.8-72.20000112.6A393 Y394 A395 L404 W406A393-C397 WeakPolarHBondContact O-CB 2.89Å; A393-C397 PolarHBondContact O-N 2.88Å; A393-C397 PolarHBondContact O-SG 3.46Å; Y394-C397 PolarHBondContact O-N 2.65Å; Y394-C397 VanDerWaalsContact O-N 3.16Å; A395-C397 PolarHBondContact O-N 2.82Å; C397-L404 HydrophobicContact CB-CD1 3.96Å; C397-W406 PolarHBondContact O-NE1 2.75Å
398L97.3Very high96.6Very high43 Ų4323.9 Ų23.923%0.22514%0.141CC..Hα-helixtrans-66.9-42.6175.7-64.6-178.6000111.6L290 Y394 A395 W396 N400 W406 R437L290-L398 HydrophobicContact CD2-CD1 3.8Å; Y394-L398 HydrophobicContact CD1-CD1 4.19Å; Y394-L398 HydrophobicContact CE1-CD1 3.58Å; Y394-L398 HydrophobicContact CE1-CG 4.36Å; Y394-L398 PolarHBondContact O-N 2.97Å; A395-L398 PolarHBondContact O-N 2.9Å; W396-L398 VanDerWaalsContact C-N 3.34Å; W396-L398 PolarHBondContact O-N 2.79Å; L398-N400 VanDerWaalsContact C-N 3.32Å; L398-N400 PolarHBondContact O-N 3.17Å; L398-W406 HydrophobicContact CD2-CH2 4.07Å; L398-W406 HydrophobicContact CD2-CZ2 4.25Å; L398-R437 HydrophobicContact CD1-CB 4.07Å; L398-R437 HydrophobicContact CD1-CG 3.86Å; L398-R437 HydrophobicContact CD2-CG 4.02Å
399A96.2Very high96.5Very high61 Ų6127 Ų2750%0.50416%0.156SC..Hα-helixtrans-70.1-26.2179.900000113.5Y288 A395 W396Y288-A399 HydrophobicContact CD1-CB 3.91Å; Y288-A399 HydrophobicContact CG-CB 4.43Å; A395-A399 PolarHBondContact O-N 2.61Å; W396-A399 PolarHBondContact O-N 3.13Å
400N96.2Very high96.4Very high47 Ų4729.1 Ų29.125%0.25117%0.165SC..THydrogen-bonded Turntrans-113.634.1-171.2-68.1-84000113.6W396 L398 N402 F403 L404W396-N400 HydrophobicContact CD2-CB 4.32Å; W396-N400 HydrophobicContact CH2-CB 4.32Å; W396-N400 HydrophobicContact CZ2-CB 3.98Å; W396-N400 PolarHBondContact NE1-ND2 3.22Å; W396-N400 WeakPolarHBondContact O-CB 3.16Å; W396-N400 PolarHBondContact O-N 3.2Å; W396-N400 PolarHBondContact O-ND2 3.04Å; L398-N400 VanDerWaalsContact C-N 3.32Å; L398-N400 PolarHBondContact O-N 3.17Å; N400-N402 VanDerWaalsContact C-N 3.31Å; N400-N402 PolarHBondContact O-N 3.19Å; N400-F403 HydrophobicContact CB-CB 4.3Å; N400-F403 PolarHBondContact O-N 3.37Å; N400-L404 PolarHBondContact O-N 3.09Å
401A96.1Very high96.3Very high18 Ų1829.1 Ų29.115%0.14917%0.165CC..THydrogen-bonded Turntrans-56.4-42.1-174.100000114.1F403 L404 G405 W406A401-F403 PolarHBondContact O-N 2.76Å; A401-L404 CarbonylContact O-C 3.39Å; A401-L404 PolarHBondContact O-N 3.29Å; A401-G405 PolarHBondContact O-N 3.39Å; A401-W406 CarbonylContact C-O 3Å; A401-W406 VanDerWaalsContact CA-NE1 3.28Å; A401-W406 HydrophobicContact CB-CZ2 4.43Å; A401-W406 VanDerWaalsContact O-CD1 3.23Å; A401-W406 PolarHBondContact O-N 3.06Å
402N94.3Very high96.3Very high138 Ų13829.2 Ų29.274%0.73817%0.166SC*.THydrogen-bonded Turntrans-61.6-44.3176-71.1-24.3000112.4G324 N400 L404 G405G324-N402 CarbonylContact C-O 3.59Å; G324-N402 VanDerWaalsContact CA-O 3.3Å; G324-N402 WeakPolarHBondContact CA-O 3.14Å; N400-N402 VanDerWaalsContact C-N 3.31Å; N400-N402 PolarHBondContact O-N 3.19Å; N402-L404 VanDerWaalsContact C-N 3.28Å; N402-L404 PolarHBondContact O-N 2.81Å; N402-G405 PolarHBondContact O-N 3.22Å
403F94.5Very high96.3Very high68 Ų6829.1 Ų29.130%0.29817%0.165SC..THydrogen-bonded Turntrans-66.2-32.8179.5179.2-95.4000112.2F280 L325 L326 W396 N400 A401 G405F280-F403 HydrophobicContact CE2-CE1 4.19Å; F280-F403 HydrophobicContact CZ-CE1 4.29Å; L325-F403 CarbonylContact C-O 3.48Å; L325-F403 WeakPolarHBondContact CA-O 3.44Å; L326-F403 HydrophobicContact CD2-CE1 4.25Å; L326-F403 HydrophobicContact CD2-CZ 3.89Å; L326-F403 PolarHBondContact N-O 3.09Å; W396-F403 AromaticContact CH2-CD1 3.8Å; W396-F403 HydrophobicContact CH2-CD1 3.8Å; W396-F403 HydrophobicContact CH2-CE1 4.03Å; W396-F403 AromaticContact CZ2-CD1 3.98Å; W396-F403 HydrophobicContact CZ2-CD1 3.98Å; W396-F403 HydrophobicContact CZ2-CE1 4.2Å; N400-F403 HydrophobicContact CB-CB 4.3Å; N400-F403 PolarHBondContact O-N 3.37Å; A401-F403 PolarHBondContact O-N 2.76Å; F403-G405 PolarHBondContact O-N 2.68Å
404L95.7Very high96.2Very high0 Ų030.2 Ų30.20%017%0.172CC..THydrogen-bonded Turntrans-82.5-0.6174.6-71.2172.9000113.4L316 L325 L339 T369 V371 W396 C397 N400 A401 N402 W406L316-L404 HydrophobicContact CD1-CD2 3.61Å; L316-L404 HydrophobicContact CD2-CD2 4.36Å; L325-L404 VanDerWaalsContact CD1-C 3.45Å; L325-L404 WeakPolarHBondContact CD1-O 2.88Å; L339-L404 HydrophobicContact CD1-CB 4.25Å; L339-L404 HydrophobicContact CD1-CD1 3.76Å; T369-L404 WeakPolarHBondContact CG2-O 2.95Å; T369-L404 PolarHBondContact OG1-O 3.16Å; T369-L404 VanDerWaalsContact OG1-O 3.09Å; V371-L404 HydrophobicContact CG2-CD1 4.19Å; V371-L404 HydrophobicContact CG2-CD2 3.55Å; V371-L404 HydrophobicContact CG2-CG 4.47Å; W396-L404 HydrophobicContact CE3-CD1 4.19Å; W396-L404 HydrophobicContact CH2-CD1 4.21Å; W396-L404 HydrophobicContact CH2-CD2 3.85Å; W396-L404 HydrophobicContact CH2-CG 3.98Å; W396-L404 HydrophobicContact CZ3-CD1 3.6Å; W396-L404 HydrophobicContact CZ3-CD2 3.71Å; W396-L404 HydrophobicContact CZ3-CG 3.84Å; C397-L404 HydrophobicContact CB-CD1 3.96Å; N400-L404 PolarHBondContact O-N 3.09Å; A401-L404 CarbonylContact O-C 3.39Å; A401-L404 PolarHBondContact O-N 3.29Å; N402-L404 VanDerWaalsContact C-N 3.28Å; N402-L404 PolarHBondContact O-N 2.81Å; L404-W406 VanDerWaalsContact C-N 3.32Å; L404-W406 VanDerWaalsContact CB-CD1 3.43Å; L404-W406 PolarHBondContact O-N 3.16Å
405G94Very high96.1Very high0 Ų030.4 Ų30.40%017%0.173CC..THydrogen-bonded Turntrans55.942.1179.500000114.1R322 Q323 A335 A336 A401 N402 F403R322-G405 WeakPolarHBondContact CB-O 3.12Å; R322-G405 VanDerWaalsContact CD-O 3.24Å; R322-G405 WeakPolarHBondContact CD-O 3.3Å; Q323-G405 WeakPolarHBondContact O-CA 3.33Å; A335-G405 CarbonylContact C-O 3.56Å; A335-G405 WeakPolarHBondContact CA-O 3.28Å; A336-G405 PolarHBondContact N-O 3.32Å; A401-G405 PolarHBondContact O-N 3.39Å; N402-G405 PolarHBondContact O-N 3.22Å; F403-G405 PolarHBondContact O-N 2.68Å
406W95.8Very high95.9Very high2 Ų230.6 Ų30.61%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-131.3162.6173.677.1-62.3000111.7A336 L339 C397 L398 A401 L404 G408 K410 I411A336-W406 HydrophobicContact CB-CB 3.76Å; A336-W406 CarbonylContact O-C 3.56Å; A336-W406 WeakPolarHBondContact O-CA 3.27Å; A336-W406 WeakPolarHBondContact O-CB 3.02Å; L339-W406 HydrophobicContact CB-CD2 3.64Å; L339-W406 HydrophobicContact CB-CE3 3.65Å; L339-W406 HydrophobicContact CB-CG 4.07Å; L339-W406 HydrophobicContact CB-CH2 4.43Å; L339-W406 HydrophobicContact CB-CZ2 4.43Å; L339-W406 HydrophobicContact CB-CZ3 4.05Å; L339-W406 HydrophobicContact CD1-CD2 4.02Å; L339-W406 HydrophobicContact CD1-CG 4.02Å; L339-W406 HydrophobicContact CD1-CZ2 4.37Å; L339-W406 HydrophobicContact CG-CD2 4.48Å; C397-W406 PolarHBondContact O-NE1 2.75Å; L398-W406 HydrophobicContact CD2-CH2 4.07Å; L398-W406 HydrophobicContact CD2-CZ2 4.25Å; A401-W406 CarbonylContact C-O 3Å; A401-W406 VanDerWaalsContact CA-NE1 3.28Å; A401-W406 HydrophobicContact CB-CZ2 4.43Å; A401-W406 VanDerWaalsContact O-CD1 3.23Å; A401-W406 PolarHBondContact O-N 3.06Å; L404-W406 VanDerWaalsContact C-N 3.32Å; L404-W406 VanDerWaalsContact CB-CD1 3.43Å; L404-W406 PolarHBondContact O-N 3.16Å; W406-G408 VanDerWaalsContact CE3-CA 3.45Å; W406-G408 VanDerWaalsContact CE3-N 3.25Å; W406-K410 WeakPolarHBondContact CZ3-O 3.26Å; W406-I411 HydrophobicContact CH2-CB 4.1Å; W406-I411 HydrophobicContact CH2-CD1 4.48Å; W406-I411 HydrophobicContact CZ3-CB 4.23Å
407T95.3Very high95.8Very high78 Ų7830.6 Ų30.648%0.47918%0.177SC..EExtended strand (participates in β ladder)trans-84.4-11.8-171.9580000114.3A335 A336 R337 E409A335-T407 HydrophobicContact CB-CG2 3.94Å; A336-T407 WeakPolarHBondContact O-CG2 3.45Å; A336-T407 PolarHBondContact O-N 2.7Å; A336-T407 PolarHBondContact O-OG1 2.8Å; R337-T407 WeakPolarHBondContact CA-OG1 3.31Å; R337-T407 PolarHBondContact O-OG1 3.27Å; T407-E409 VanDerWaalsContact C-N 3.31Å; T407-E409 VanDerWaalsContact OG1-CB 3.25Å; T407-E409 WeakPolarHBondContact OG1-CB 3.34Å; T407-E409 PolarHBondContact OG1-N 2.89Å
408G94.4Very high95.7Very high20 Ų2030.6 Ų30.621%0.20618%0.177CC..EExtended strand (participates in β ladder)trans83.23.3-168.700000114.2W406 R437W406-G408 VanDerWaalsContact CE3-CA 3.45Å; W406-G408 VanDerWaalsContact CE3-N 3.25Å; G408-R437 PolarHBondContact O-NH1 3.32Å; G408-R437 PolarHBondContact O-NH2 3.12Å
409E94.9Very high95.7Very high76 Ų7628.6 Ų28.636%0.35517%0.166SC..EExtended strand (participates in β ladder)trans-77.5-54.5-168.6-174-170.6157.900113.4R337 T407 R437R337-E409 IonicContact CZ-OE1 3.47Å; R337-E409 IonicContact CZ-OE2 3.14Å; R337-E409 IonicContact NE-OE1 3.49Å; R337-E409 PolarHBondContact NE-OE1 2.97Å; R337-E409 IonicContact NE-OE2 2.98Å; R337-E409 PolarHBondContact NE-OE2 3.01Å; R337-E409 IonicContact NH2-OE1 2.69Å; R337-E409 PolarHBondContact NH2-OE1 3.48Å; R337-E409 IonicContact NH2-OE2 3.03Å; R337-E409 PolarHBondContact NH2-OE2 3.13Å; R337-E409 WeakPolarHBondContact O-CB 3.11Å; T407-E409 VanDerWaalsContact C-N 3.31Å; T407-E409 VanDerWaalsContact OG1-CB 3.25Å; T407-E409 WeakPolarHBondContact OG1-CB 3.34Å; T407-E409 PolarHBondContact OG1-N 2.89Å; E409-R437 PolarHBondContact O-NH2 3.28Å
410K95.6Very high95.7Very high46 Ų4625.7 Ų25.720%0.214%0.142CC..EExtended strand (participates in β ladder)trans-125.4131.2178.8-69.1-172.4178.4-1790112.1R337 S338 L339 W406 D440 Y764 L765 Q766R337-K410 PolarHBondContact O-N 3.27Å; R337-K410 VanDerWaalsContact O-N 3.07Å; S338-K410 CarbonylContact C-O 3.56Å; S338-K410 WeakPolarHBondContact CA-O 3.13Å; L339-K410 PolarHBondContact N-O 2.8Å; W406-K410 WeakPolarHBondContact CZ3-O 3.26Å; K410-D440 WeakPolarHBondContact CA-OD2 3.35Å; K410-Y764 PolarHBondContact NZ-O 3.2Å; K410-Y764 VanDerWaalsContact NZ-O 3.09Å; K410-L765 PolarHBondContact NZ-O 3.4Å; K410-L765 VanDerWaalsContact NZ-O 3.13Å; K410-Q766 PolarHBondContact NZ-O 2.96Å; K410-Q766 PolarHBondContact NZ-OXT 3.15Å
411I97Very high95.8Very high0 Ų023.4 Ų23.40%013%0.13CC..EExtended strand (participates in β ladder)trans-124118.9171.8-172.9167.8000110.4L339 Y394 W406 P439 D440L339-I411 HydrophobicContact CD2-CD1 3.76Å; L339-I411 HydrophobicContact CD2-CG1 3.84Å; L339-I411 CarbonylContact O-C 3.48Å; L339-I411 WeakPolarHBondContact O-CA 3.27Å; Y394-I411 HydrophobicContact CD2-CD1 3.99Å; Y394-I411 HydrophobicContact CE2-CD1 3.77Å; Y394-I411 HydrophobicContact CE2-CG2 4.34Å; W406-I411 HydrophobicContact CH2-CB 4.1Å; W406-I411 HydrophobicContact CH2-CD1 4.48Å; W406-I411 HydrophobicContact CZ3-CB 4.23Å; I411-P439 HydrophobicContact CG2-CB 4.38Å; I411-D440 PolarHBondContact N-OD2 3.04Å; I411-D440 PolarHBondContact O-N 3.4Å
412C97.3Very high95.9Very high1 Ų122.6 Ų22.61%0.00712%0.123CC..EExtended strand (participates in β ladder)trans-105.6131.8176-174.20000109.3L339 I340 L341 L765L339-C412 PolarHBondContact O-N 3.03Å; I340-C412 CarbonylContact C-O 3.51Å; I340-C412 VanDerWaalsContact CA-O 3.26Å; I340-C412 WeakPolarHBondContact CA-O 3.33Å; I340-C412 HydrophobicContact CG1-CB 4.43Å; L341-C412 PolarHBondContact N-O 3.02Å; C412-L765 HydrophobicContact CB-CD2 3.73Å
413L98.3Very high96.1Very high0 Ų016 Ų160%09%0.088CC..EExtended strand (participates in β ladder)trans-89.6133.7171-55.6-167.4000109.1L341 Y394 L423 L426 C427 P439 A441 L442 V443L341-L413 HydrophobicContact CB-CD2 3.74Å; L341-L413 HydrophobicContact CD2-CD2 3.94Å; L341-L413 HydrophobicContact CG-CD2 4.28Å; L341-L413 WeakPolarHBondContact O-CA 3.36Å; Y394-L413 HydrophobicContact CD2-CD2 4.44Å; L413-L423 HydrophobicContact CB-CB 4.28Å; L413-L423 HydrophobicContact CB-CD1 4.16Å; L413-L423 HydrophobicContact CB-CD2 4.26Å; L413-L423 HydrophobicContact CB-CG 4.48Å; L413-L423 HydrophobicContact CD1-CB 4.2Å; L413-L423 HydrophobicContact CD1-CD2 4.05Å; L413-L423 HydrophobicContact CD2-CD2 4.32Å; L413-L423 HydrophobicContact CG-CD2 4.44Å; L413-L426 HydrophobicContact CD1-CD2 3.88Å; L413-C427 VanDerWaalsContact CD1-SG 3.6Å; L413-P439 HydrophobicContact CD1-CB 4.04Å; L413-P439 HydrophobicContact CD1-CG 3.51Å; L413-P439 HydrophobicContact CD2-CB 4.18Å; L413-P439 HydrophobicContact CD2-CG 4.14Å; L413-P439 HydrophobicContact CG-CB 3.68Å; L413-P439 HydrophobicContact CG-CG 3.71Å; L413-A441 PolarHBondContact N-O 3.2Å; L413-L442 HydrophobicContact CB-CD1 3.69Å; L413-L442 HydrophobicContact CD1-CD1 4.41Å; L413-L442 CarbonylContact O-C 3.57Å; L413-L442 WeakPolarHBondContact O-CA 3.06Å; L413-V443 PolarHBondContact O-N 3.08Å
414V96.5Very high96.3Very high23 Ų2312.8 Ų12.814%0.1397%0.074CC..EExtended strand (participates in β ladder)trans-133.8123.9178.4-177.50000109.6I340 L341 H342 C343 L423 V443 V761I340-V414 HydrophobicContact CG2-CB 3.86Å; I340-V414 HydrophobicContact CG2-CG2 3.59Å; L341-V414 PolarHBondContact O-N 3.3Å; H342-V414 WeakPolarHBondContact CA-O 3.12Å; H342-V414 PolarHBondContact CD2-O 3.17Å; H342-V414 VanDerWaalsContact CD2-O 3.28Å; C343-V414 PolarHBondContact N-O 3Å; V414-L423 WeakPolarHBondContact O-CD1 3.39Å; V414-V443 VanDerWaalsContact CA-O 3.32Å; V414-V443 WeakPolarHBondContact CA-O 3.28Å; V414-V443 HydrophobicContact CG2-CB 4.32Å; V414-V761 HydrophobicContact CG1-CG2 4.43Å; V414-V761 HydrophobicContact CG2-CG1 4.38Å; V414-V761 HydrophobicContact CG2-CG2 3.71Å
415G95.4Very high96.4Very high3 Ų312.8 Ų12.83%0.0317%0.074CC..EExtended strand (participates in β ladder)trans-153.6155.8177.200000113.7C343 V443 V444 A445C343-G415 VanDerWaalsContact O-CA 3.25Å; C343-G415 WeakPolarHBondContact O-CA 3.43Å; G415-V443 PolarHBondContact N-O 3.17Å; G415-V444 VanDerWaalsContact O-CA 3.28Å; G415-V444 WeakPolarHBondContact O-CA 3.28Å; G415-A445 PolarHBondContact O-N 2.92Å
416D93.8Very high96.6Very high4 Ų412.8 Ų12.82%0.0217%0.074CC..EExtended strand (participates in β ladder)trans-124144.2-178.778.2-69.1000111.3G345 H356 A418 G419 G420 A445 Y446 M741G345-D416 WeakPolarHBondContact CA-O 3.36Å; G345-D416 PolarHBondContact N-O 2.99Å; G345-D416 PolarHBondContact N-OD1 2.7Å; H356-D416 IonicContact CE1-OD1 2.76Å; H356-D416 PolarHBondContact CE1-OD1 3.34Å; H356-D416 IonicContact CE1-OD2 2.72Å; H356-D416 PolarHBondContact CE1-OD2 2.75Å; H356-D416 IonicContact ND1-OD1 3.89Å; H356-D416 IonicContact NE2-OD1 3.88Å; D416-A418 PolarHBondContact O-N 3.25Å; D416-G419 PolarHBondContact O-N 3.02Å; D416-G420 PolarHBondContact O-N 3.39Å; D416-A445 CarbonylContact C-O 3.5Å; D416-A445 WeakPolarHBondContact CA-O 3.29Å; D416-A445 HydrophobicContact CB-CB 4.25Å; D416-Y446 HydrophobicContact CB-CE2 3.67Å; D416-Y446 WeakPolarHBondContact CB-OH 2.98Å; D416-Y446 WeakPolarHBondContact OD2-CE2 3.25Å; D416-Y446 PolarHBondContact OD2-OH 2.95Å; D416-M741 HydrophobicContact CB-SD 4.36Å
417S95.2Very high96.8Very high14 Ų1412.7 Ų12.710%0.0987%0.074CC..THydrogen-bonded Turntrans49.8-121.8-178.4-170.90000111.7G419 G420 L421 A445 P448 H738S417-G419 VanDerWaalsContact C-N 3.3Å; S417-G419 PolarHBondContact O-N 3.34Å; S417-G420 PolarHBondContact O-N 3.46Å; S417-G420 VanDerWaalsContact O-N 3.13Å; S417-L421 PolarHBondContact O-N 3.11Å; S417-A445 PolarHBondContact N-O 3.18Å; S417-P448 WeakPolarHBondContact O-CD 3.22Å; S417-H738 WeakPolarHBondContact CB-NE2 3.48Å; S417-H738 PolarHBondContact OG-CE1 3.25Å; S417-H738 PolarHBondContact OG-NE2 3.19Å
418A96.3Very high96.9Very high1 Ų19 Ų91%0.0085%0.051CC..Hα-helixtrans-53.4-40.217500000113.9F348 D416 G420 L421 L422F348-A418 HydrophobicContact CD1-CB 3.96Å; F348-A418 HydrophobicContact CD2-CB 3.79Å; F348-A418 HydrophobicContact CE1-CB 3.81Å; F348-A418 HydrophobicContact CE2-CB 3.58Å; F348-A418 HydrophobicContact CG-CB 3.95Å; F348-A418 HydrophobicContact CZ-CB 3.58Å; D416-A418 PolarHBondContact O-N 3.25Å; A418-G420 VanDerWaalsContact C-N 3.32Å; A418-G420 PolarHBondContact O-N 3.16Å; A418-L421 WeakPolarHBondContact O-CB 3.21Å; A418-L421 PolarHBondContact O-N 2.98Å; A418-L422 PolarHBondContact O-N 3.38Å
419G96.3Very high97.1Very high0 Ų08.3 Ų8.30%04%0.042CC..Hα-helixtrans-66.9-34.1177.900000112.9C343 H344 D416 S417 L422 L423C343-G419 WeakPolarHBondContact O-CA 3.47Å; H344-G419 WeakPolarHBondContact O-CA 3.45Å; H344-G419 PolarHBondContact O-N 3.27Å; H344-G419 VanDerWaalsContact O-N 3.12Å; D416-G419 PolarHBondContact O-N 3.02Å; S417-G419 VanDerWaalsContact C-N 3.3Å; S417-G419 PolarHBondContact O-N 3.34Å; G419-L422 PolarHBondContact O-N 3.08Å; G419-L423 WeakPolarHBondContact O-CG 3.34Å; G419-L423 PolarHBondContact O-N 3.49Å; G419-L423 VanDerWaalsContact O-N 3.07Å
420G97.1Very high97.2Very high0 Ų04.7 Ų4.70%03%0.025CC..Hα-helixtrans-64.5-40.4172.200000112.4D416 S417 A418 T424D416-G420 PolarHBondContact O-N 3.39Å; S417-G420 PolarHBondContact O-N 3.46Å; S417-G420 VanDerWaalsContact O-N 3.13Å; A418-G420 VanDerWaalsContact C-N 3.32Å; A418-G420 PolarHBondContact O-N 3.16Å; G420-T424 WeakPolarHBondContact O-CB 3.34Å; G420-T424 PolarHBondContact O-N 3.34Å; G420-T424 PolarHBondContact O-OG1 3.46Å
421L98Very high97.3Very high0 Ų02.7 Ų2.70%02%0.017CC..Hα-helixtrans-61.7-49171.6-180155.5000111.1F348 S417 A418 L423 T424 S425 P448 F451 I684 P686F348-L421 HydrophobicContact CE1-CD2 4.2Å; F348-L421 HydrophobicContact CZ-CB 4.24Å; F348-L421 HydrophobicContact CZ-CD1 4.2Å; F348-L421 HydrophobicContact CZ-CD2 3.87Å; F348-L421 HydrophobicContact CZ-CG 4.32Å; S417-L421 PolarHBondContact O-N 3.11Å; A418-L421 WeakPolarHBondContact O-CB 3.21Å; A418-L421 PolarHBondContact O-N 2.98Å; L421-L423 VanDerWaalsContact C-N 3.3Å; L421-L423 PolarHBondContact O-N 2.92Å; L421-T424 WeakPolarHBondContact O-CB 3.4Å; L421-T424 PolarHBondContact O-N 3.28Å; L421-T424 VanDerWaalsContact O-N 3.14Å; L421-S425 PolarHBondContact O-N 2.68Å; L421-S425 PolarHBondContact O-OG 2.9Å; L421-P448 HydrophobicContact CB-CG 4.49Å; L421-P448 HydrophobicContact CD1-CG 4.09Å; L421-P448 VanDerWaalsContact CD1-O 3.26Å; L421-P448 WeakPolarHBondContact CD1-O 3.44Å; L421-F451 HydrophobicContact CD1-CB 3.8Å; L421-F451 HydrophobicContact CD1-CD2 4.12Å; L421-F451 HydrophobicContact CD1-CG 4.03Å; L421-I684 WeakPolarHBondContact CD1-O 3.45Å; L421-P686 HydrophobicContact CG-CG 4.5Å
422L98.1Very high97.3Very high0 Ų06.7 Ų6.70%04%0.035CC..Hα-helixtrans-55.9-44.8-179.2-73.1176.1000112.3F348 Y375 A386 I387 V390 A418 G419 S425 L426 Y480F348-L422 HydrophobicContact CD1-CD1 4.42Å; F348-L422 HydrophobicContact CD1-CD2 4.32Å; F348-L422 HydrophobicContact CD1-CG 4.33Å; F348-L422 HydrophobicContact CE1-CD1 4.31Å; F348-L422 HydrophobicContact CE1-CD2 3.83Å; F348-L422 HydrophobicContact CE1-CG 3.77Å; Y375-L422 HydrophobicContact CD1-CD1 3.66Å; Y375-L422 HydrophobicContact CD2-CD1 3.95Å; Y375-L422 HydrophobicContact CE1-CD1 3.54Å; Y375-L422 HydrophobicContact CE2-CD1 3.87Å; Y375-L422 HydrophobicContact CG-CD1 3.86Å; A386-L422 HydrophobicContact CB-CD1 4.15Å; A386-L422 HydrophobicContact CB-CD2 3.95Å; I387-L422 HydrophobicContact CB-CD2 4.36Å; V390-L422 HydrophobicContact CG2-CD1 4.49Å; A418-L422 PolarHBondContact O-N 3.38Å; G419-L422 PolarHBondContact O-N 3.08Å; L422-S425 PolarHBondContact O-N 3.22Å; L422-L426 WeakPolarHBondContact O-CB 3.5Å; L422-L426 PolarHBondContact O-N 3.1Å; L422-Y480 HydrophobicContact CD2-CE2 4.39Å; L422-Y480 WeakPolarHBondContact CD2-OH 3.48Å
423L98.6Very high97.2Very high0 Ų07.6 Ų7.60%04%0.04CC..Hα-helixtrans-72.3-32.4-179.8-68.4171.2000112.5C343 V390 L413 V414 G419 L421 L426 C427 L442C343-L423 HydrophobicContact CB-CD1 3.89Å; C343-L423 HydrophobicContact CB-CD2 4.4Å; C343-L423 HydrophobicContact CB-CG 3.92Å; V390-L423 HydrophobicContact CG1-CD2 3.95Å; L413-L423 HydrophobicContact CB-CB 4.28Å; L413-L423 HydrophobicContact CB-CD1 4.16Å; L413-L423 HydrophobicContact CB-CD2 4.26Å; L413-L423 HydrophobicContact CB-CG 4.48Å; L413-L423 HydrophobicContact CD1-CB 4.2Å; L413-L423 HydrophobicContact CD1-CD2 4.05Å; L413-L423 HydrophobicContact CD2-CD2 4.32Å; L413-L423 HydrophobicContact CG-CD2 4.44Å; V414-L423 WeakPolarHBondContact O-CD1 3.39Å; G419-L423 WeakPolarHBondContact O-CG 3.34Å; G419-L423 PolarHBondContact O-N 3.49Å; G419-L423 VanDerWaalsContact O-N 3.07Å; L421-L423 VanDerWaalsContact C-N 3.3Å; L421-L423 PolarHBondContact O-N 2.92Å; L423-L426 HydrophobicContact CD2-CD2 4.2Å; L423-L426 WeakPolarHBondContact O-CB 3.39Å; L423-L426 PolarHBondContact O-N 3.4Å; L423-C427 PolarHBondContact O-N 3.37Å; L423-C427 VanDerWaalsContact O-N 3.08Å; L423-C427 PolarHBondContact O-SG 2.95Å; L423-L442 HydrophobicContact CB-CD1 3.85Å
424T98.7Very high97.1Very high0 Ų014.4 Ų14.40%07%0.07CC..Hα-helixtrans-63.9-47171.3-53.80000110.5G420 L421 L426 C427 L428 L442 F449 P686 M697 F717G420-T424 WeakPolarHBondContact O-CB 3.34Å; G420-T424 PolarHBondContact O-N 3.34Å; G420-T424 PolarHBondContact O-OG1 3.46Å; L421-T424 WeakPolarHBondContact O-CB 3.4Å; L421-T424 PolarHBondContact O-N 3.28Å; L421-T424 VanDerWaalsContact O-N 3.14Å; T424-L426 VanDerWaalsContact C-N 3.32Å; T424-L426 PolarHBondContact O-N 3.46Å; T424-C427 WeakPolarHBondContact O-CB 3.3Å; T424-C427 PolarHBondContact O-N 3.47Å; T424-L428 PolarHBondContact O-N 2.89Å; T424-L428 VanDerWaalsContact O-N 3.11Å; T424-L442 HydrophobicContact CG2-CD2 4.37Å; T424-F449 HydrophobicContact CG2-CD1 4.18Å; T424-F449 HydrophobicContact CG2-CE1 4.07Å; T424-P686 HydrophobicContact CG2-CB 3.65Å; T424-P686 HydrophobicContact CG2-CG 3.84Å; T424-M697 HydrophobicContact CG2-CE 4.07Å; T424-F717 HydrophobicContact CG2-CE1 4.1Å; T424-F717 HydrophobicContact CG2-CE2 4.41Å; T424-F717 HydrophobicContact CG2-CZ 3.63Å
425S98.3Very high97.1Very high0 Ų013.3 Ų13.30%06%0.063CC..Hα-helixtrans-65.9-33.3176.6-58.60000112.5L421 L422 L428 K429 F683 P686L421-S425 PolarHBondContact O-N 2.68Å; L421-S425 PolarHBondContact O-OG 2.9Å; L422-S425 PolarHBondContact O-N 3.22Å; S425-L428 PolarHBondContact O-N 3.13Å; S425-K429 WeakPolarHBondContact O-CB 3.5Å; S425-K429 PolarHBondContact O-N 3.17Å; S425-F683 VanDerWaalsContact CB-O 3.29Å; S425-F683 WeakPolarHBondContact CB-O 3.48Å; S425-F683 PolarHBondContact OG-O 3.21Å; S425-P686 WeakPolarHBondContact OG-CG 3.3Å
426L98.6Very high97.1Very high0 Ų016.3 Ų16.30%08%0.084CC..Hα-helixtrans-58.3-48.9170.3171.667.5000110.8L341 V390 L391 Y394 L413 L422 L423 T424 L428 K429 L430L341-L426 HydrophobicContact CD2-CD2 4.42Å; V390-L426 HydrophobicContact CG1-CB 4.19Å; V390-L426 HydrophobicContact CG1-CD1 4.49Å; V390-L426 HydrophobicContact CG1-CD2 3.77Å; V390-L426 HydrophobicContact CG1-CG 4.34Å; L391-L426 HydrophobicContact CB-CD1 3.89Å; L391-L426 HydrophobicContact CD1-CD1 3.73Å; L391-L426 HydrophobicContact CG-CD1 4.43Å; Y394-L426 HydrophobicContact CD2-CD2 4.16Å; Y394-L426 HydrophobicContact CG-CD2 4.2Å; L413-L426 HydrophobicContact CD1-CD2 3.88Å; L422-L426 WeakPolarHBondContact O-CB 3.5Å; L422-L426 PolarHBondContact O-N 3.1Å; L423-L426 HydrophobicContact CD2-CD2 4.2Å; L423-L426 WeakPolarHBondContact O-CB 3.39Å; L423-L426 PolarHBondContact O-N 3.4Å; T424-L426 VanDerWaalsContact C-N 3.32Å; T424-L426 PolarHBondContact O-N 3.46Å; L426-L428 PolarHBondContact O-N 2.69Å; L426-K429 PolarHBondContact O-N 3.05Å; L426-K429 VanDerWaalsContact O-N 3.12Å; L426-L430 HydrophobicContact CD1-CD1 4.13Å; L426-L430 HydrophobicContact CD1-CG 4.07Å; L426-L430 HydrophobicContact CG-CD1 4Å; L426-L430 HydrophobicContact CG-CG 4.37Å; L426-L430 WeakPolarHBondContact O-CG 3.16Å; L426-L430 PolarHBondContact O-N 3.13Å
427C98.7Very high97.2Very high0 Ų019.7 Ų19.70%010%0.096CC..Hα-helixtrans-56.7-50.1177.6-71.10000111.3L413 L423 T424 K429 L430 I431 M697 P698L413-C427 VanDerWaalsContact CD1-SG 3.6Å; L423-C427 PolarHBondContact O-N 3.37Å; L423-C427 VanDerWaalsContact O-N 3.08Å; L423-C427 PolarHBondContact O-SG 2.95Å; T424-C427 WeakPolarHBondContact O-CB 3.3Å; T424-C427 PolarHBondContact O-N 3.47Å; C427-K429 PolarHBondContact O-N 3Å; C427-L430 PolarHBondContact O-N 3.15Å; C427-I431 WeakPolarHBondContact O-CD1 3.47Å; C427-I431 VanDerWaalsContact O-CG1 3.28Å; C427-I431 WeakPolarHBondContact O-CG1 3.49Å; C427-I431 PolarHBondContact O-N 3.26Å; C427-M697 HydrophobicContact CB-CE 3.75Å; C427-M697 HydrophobicContact CB-SD 3.53Å; C427-M697 VanDerWaalsContact CB-SD 3.53Å; C427-P698 HydrophobicContact CB-CG 4.43Å
428L98.4Very high97.3Very high0 Ų020.6 Ų20.60%010%0.1CC..Hα-helixtrans-56.5-40.9176.1-67.5176.2000111.6T424 S425 L426 I431 E432 F683 P686 A689 L693 L694 M697T424-L428 PolarHBondContact O-N 2.89Å; T424-L428 VanDerWaalsContact O-N 3.11Å; S425-L428 PolarHBondContact O-N 3.13Å; L426-L428 PolarHBondContact O-N 2.69Å; L428-I431 PolarHBondContact O-N 2.86Å; L428-E432 PolarHBondContact O-N 3.46Å; L428-F683 HydrophobicContact CB-CD1 4.07Å; L428-F683 HydrophobicContact CB-CE1 3.83Å; L428-P686 HydrophobicContact CD1-CB 3.79Å; L428-P686 HydrophobicContact CD1-CG 4.23Å; L428-A689 HydrophobicContact CD1-CB 3.9Å; L428-A689 HydrophobicContact CD2-CB 3.94Å; L428-L693 HydrophobicContact CD2-CB 4.2Å; L428-L694 HydrophobicContact CD2-CD2 4.13Å; L428-M697 HydrophobicContact CD2-CG 4.32Å; L428-M697 HydrophobicContact CD2-SD 3.78Å; L428-M697 HydrophobicContact CG-SD 4.14Å
429K97.6Very high97.4Very high6 Ų620.9 Ų20.93%0.02610%0.101CC..Hα-helixtrans-68-41.9179.8-17360.5177.7-175.30111.8L391 S425 L426 C427 I431 E432 L433 V495 F683L391-K429 HydrophobicContact CD2-CG 4.34Å; S425-K429 WeakPolarHBondContact O-CB 3.5Å; S425-K429 PolarHBondContact O-N 3.17Å; L426-K429 PolarHBondContact O-N 3.05Å; L426-K429 VanDerWaalsContact O-N 3.12Å; C427-K429 PolarHBondContact O-N 3Å; K429-I431 VanDerWaalsContact C-N 3.27Å; K429-I431 PolarHBondContact O-N 2.98Å; K429-E432 VanDerWaalsContact CD-OE2 3.26Å; K429-E432 WeakPolarHBondContact CD-OE2 3.29Å; K429-E432 WeakPolarHBondContact CE-OE2 3.16Å; K429-E432 IonicContact NZ-OE2 3.81Å; K429-E432 PolarHBondContact NZ-OE2 2.9Å; K429-E432 PolarHBondContact O-N 3.29Å; K429-L433 HydrophobicContact CD-CD1 4.42Å; K429-L433 HydrophobicContact CD-CG 4.41Å; K429-L433 HydrophobicContact CG-CD1 4.08Å; K429-L433 HydrophobicContact CG-CG 4.47Å; K429-L433 WeakPolarHBondContact O-CB 3.39Å; K429-L433 WeakPolarHBondContact O-CG 3.43Å; K429-L433 PolarHBondContact O-N 3.32Å; K429-V495 HydrophobicContact CD-CB 4.2Å; K429-V495 HydrophobicContact CD-CG1 4.22Å; K429-V495 HydrophobicContact CG-CG1 4.21Å; K429-V495 PolarHBondContact NZ-O 3.31Å; K429-F683 HydrophobicContact CB-CD1 4.19Å; K429-F683 HydrophobicContact CB-CE1 3.92Å; K429-F683 HydrophobicContact CD-CE1 4.01Å; K429-F683 HydrophobicContact CD-CE2 4.36Å; K429-F683 HydrophobicContact CD-CZ 3.92Å
430L98.2Very high97.5Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-61.7-37.7175.7-69.1170.9000111.6L290 L391 Y394 L426 C427 L433 K434 A435 L438 P439L290-L430 HydrophobicContact CD1-CD2 3.94Å; L391-L430 HydrophobicContact CD1-CD2 3.68Å; L391-L430 HydrophobicContact CD1-CG 4.43Å; Y394-L430 HydrophobicContact CD1-CD1 3.98Å; Y394-L430 HydrophobicContact CD1-CD2 3.95Å; Y394-L430 HydrophobicContact CE1-CD1 3.6Å; Y394-L430 HydrophobicContact CE1-CD2 3.82Å; Y394-L430 HydrophobicContact CE1-CG 4.39Å; Y394-L430 HydrophobicContact CE2-CD1 4.29Å; Y394-L430 HydrophobicContact CG-CD1 4.46Å; L426-L430 HydrophobicContact CD1-CD1 4.13Å; L426-L430 HydrophobicContact CD1-CG 4.07Å; L426-L430 HydrophobicContact CG-CD1 4Å; L426-L430 HydrophobicContact CG-CG 4.37Å; L426-L430 WeakPolarHBondContact O-CG 3.16Å; L426-L430 PolarHBondContact O-N 3.13Å; C427-L430 PolarHBondContact O-N 3.15Å; L430-L433 PolarHBondContact O-N 3.38Å; L430-K434 PolarHBondContact O-N 2.84Å; L430-A435 HydrophobicContact CB-CB 4.09Å; L430-A435 HydrophobicContact CD2-CB 4Å; L430-A435 WeakPolarHBondContact O-CB 3.33Å; L430-A435 PolarHBondContact O-N 3.09Å; L430-L438 HydrophobicContact CB-CD2 3.59Å; L430-P439 HydrophobicContact CD1-CG 4.21Å
431I97.9Very high97.5Very high4 Ų424 Ų242%0.02112%0.118CC..Hα-helixtrans-66.9-49.2175.2-67160.4000110.9C427 L428 K429 L433 K434 L438 L693 E696 M697C427-I431 WeakPolarHBondContact O-CD1 3.47Å; C427-I431 VanDerWaalsContact O-CG1 3.28Å; C427-I431 WeakPolarHBondContact O-CG1 3.49Å; C427-I431 PolarHBondContact O-N 3.26Å; L428-I431 PolarHBondContact O-N 2.86Å; K429-I431 VanDerWaalsContact C-N 3.27Å; K429-I431 PolarHBondContact O-N 2.98Å; I431-L433 PolarHBondContact O-N 2.93Å; I431-K434 WeakPolarHBondContact O-CA 3.44Å; I431-K434 PolarHBondContact O-N 3.22Å; I431-L438 HydrophobicContact CG1-CD1 4.06Å; I431-L438 HydrophobicContact CG1-CD2 4.05Å; I431-L693 HydrophobicContact CG2-CD2 3.84Å; I431-E696 HydrophobicContact CB-CB 4.46Å; I431-E696 VanDerWaalsContact CD1-C 3.47Å; I431-E696 HydrophobicContact CD1-CB 3.97Å; I431-E696 WeakPolarHBondContact CD1-O 3.49Å; I431-E696 HydrophobicContact CG1-CB 3.98Å; I431-E696 HydrophobicContact CG2-CB 3.63Å; I431-E696 HydrophobicContact CG2-CG 4.27Å; I431-M697 HydrophobicContact CD1-CG 4.2Å; I431-M697 HydrophobicContact CD1-SD 3.9Å
432E95.9Very high97.6Very high84 Ų8424 Ų2439%0.39312%0.118SC..Hα-helixtrans-54.6-41.3175.7-174.3-165.7-14200111L428 K429 K434 F683 L693L428-E432 PolarHBondContact O-N 3.46Å; K429-E432 VanDerWaalsContact CD-OE2 3.26Å; K429-E432 WeakPolarHBondContact CD-OE2 3.29Å; K429-E432 WeakPolarHBondContact CE-OE2 3.16Å; K429-E432 IonicContact NZ-OE2 3.81Å; K429-E432 PolarHBondContact NZ-OE2 2.9Å; K429-E432 PolarHBondContact O-N 3.29Å; E432-K434 PolarHBondContact O-N 3.46Å; E432-F683 HydrophobicContact CB-CZ 4.21Å; E432-F683 HydrophobicContact CG-CZ 4.39Å; E432-F683 VanDerWaalsContact OE2-CZ 3.27Å; E432-F683 WeakPolarHBondContact OE2-CZ 3.38Å; E432-L693 HydrophobicContact CB-CD2 4.29Å
433L95.3Very high97.6Very high21 Ų2124 Ų2411%0.1112%0.118CC..THydrogen-bonded Turntrans-75.4-3.6177-66.6177.7000114.3L298 L391 K429 L430 I431 A435 F498L298-L433 HydrophobicContact CD1-CB 3.88Å; L298-L433 HydrophobicContact CD1-CD1 4.37Å; L298-L433 HydrophobicContact CD1-CD2 4.42Å; L298-L433 HydrophobicContact CD1-CG 4.45Å; L391-L433 HydrophobicContact CD2-CD1 4.27Å; K429-L433 HydrophobicContact CD-CD1 4.42Å; K429-L433 HydrophobicContact CD-CG 4.41Å; K429-L433 HydrophobicContact CG-CD1 4.08Å; K429-L433 HydrophobicContact CG-CG 4.47Å; K429-L433 WeakPolarHBondContact O-CB 3.39Å; K429-L433 WeakPolarHBondContact O-CG 3.43Å; K429-L433 PolarHBondContact O-N 3.32Å; L430-L433 PolarHBondContact O-N 3.38Å; I431-L433 PolarHBondContact O-N 2.93Å; L433-A435 PolarHBondContact O-N 3.27Å; L433-F498 HydrophobicContact CD1-CD1 4.11Å; L433-F498 HydrophobicContact CD1-CE1 4.28Å; L433-F498 HydrophobicContact CD1-CG 4.34Å; L433-F498 HydrophobicContact CD2-CD1 4.21Å; L433-F498 HydrophobicContact CD2-CD2 3.74Å; L433-F498 HydrophobicContact CD2-CE1 3.86Å; L433-F498 HydrophobicContact CD2-CE2 3.33Å; L433-F498 HydrophobicContact CD2-CG 4.18Å; L433-F498 HydrophobicContact CD2-CZ 3.43Å; L433-F498 VanDerWaalsContact CD2-CZ 3.43Å
434K95.9Very high97.5Very high142 Ų14224.1 Ų24.162%0.61712%0.119SC*.THydrogen-bonded Turntrans53.138.5-174.8-55.8-178.8179-177.80112.1T292 K293 L430 I431 E432 S436T292-K434 CarbonylContact C-O 3.53Å; T292-K434 WeakPolarHBondContact CA-O 3.4Å; T292-K434 WeakPolarHBondContact CB-O 3.33Å; K293-K434 PolarHBondContact N-O 3.08Å; L430-K434 PolarHBondContact O-N 2.84Å; I431-K434 WeakPolarHBondContact O-CA 3.44Å; I431-K434 PolarHBondContact O-N 3.22Å; E432-K434 PolarHBondContact O-N 3.46Å; K434-S436 PolarHBondContact O-N 3.01Å
435A96.7Very high97.4Very high1 Ų124.1 Ų24.11%0.00812%0.119CC..BIsolated β-bridgetrans-55.7134.7177.200000110.1L430 L433 R437 L438L430-A435 HydrophobicContact CB-CB 4.09Å; L430-A435 HydrophobicContact CD2-CB 4Å; L430-A435 WeakPolarHBondContact O-CB 3.33Å; L430-A435 PolarHBondContact O-N 3.09Å; L433-A435 PolarHBondContact O-N 3.27Å; A435-R437 VanDerWaalsContact C-N 3.33Å; A435-L438 HydrophobicContact CB-CD2 4.38Å
436S95.4Very high97.3Very high65 Ų6524.2 Ų24.246%0.45512%0.12SC..SBendtrans-70.4-32.8177.258.80000111.8H291 K434H291-S436 WeakPolarHBondContact CB-OG 3.47Å; H291-S436 VanDerWaalsContact O-CB 3.29Å; H291-S436 WeakPolarHBondContact O-CB 3.41Å; H291-S436 PolarHBondContact O-N 3.13Å; H291-S436 PolarHBondContact O-OG 3.44Å; K434-S436 PolarHBondContact O-N 3.01Å
437R96.1Very high97.2Very high75 Ų7524.3 Ų24.328%0.28312%0.12SC..  trans-106.698.5176-173.165.3-170.9-125.69.3110.6Y394 L398 G408 E409 A435 D440Y394-R437 PolarHBondContact OH-O 2.89Å; L398-R437 HydrophobicContact CD1-CB 4.07Å; L398-R437 HydrophobicContact CD1-CG 3.86Å; L398-R437 HydrophobicContact CD2-CG 4.02Å; G408-R437 PolarHBondContact O-NH1 3.32Å; G408-R437 PolarHBondContact O-NH2 3.12Å; E409-R437 PolarHBondContact O-NH2 3.28Å; A435-R437 VanDerWaalsContact C-N 3.33Å; R437-D440 IonicContact CZ-OD2 3.7Å; R437-D440 IonicContact NH2-OD1 3.32Å; R437-D440 IonicContact NH2-OD2 2.66Å; R437-D440 PolarHBondContact NH2-OD2 2.88Å
438L97.7Very high97.1Very high34 Ų3424.6 Ų24.618%0.17812%0.122CC..  trans-85.1161164.5-61.3-179000110.1Y394 L430 I431 A435Y394-L438 VanDerWaalsContact OH-C 3.29Å; L430-L438 HydrophobicContact CB-CD2 3.59Å; I431-L438 HydrophobicContact CG1-CD1 4.06Å; I431-L438 HydrophobicContact CG1-CD2 4.05Å; A435-L438 HydrophobicContact CB-CD2 4.38Å
439P98.2Very high97.1Very high6 Ų624.6 Ų24.64%0.03912%0.122CC..  trans-62.5151.2168.4-15.828.5000111.7Y394 I411 L413 L430 P698Y394-P439 HydrophobicContact CE2-CG 3.97Å; I411-P439 HydrophobicContact CG2-CB 4.38Å; L413-P439 HydrophobicContact CD1-CB 4.04Å; L413-P439 HydrophobicContact CD1-CG 3.51Å; L413-P439 HydrophobicContact CD2-CB 4.18Å; L413-P439 HydrophobicContact CD2-CG 4.14Å; L413-P439 HydrophobicContact CG-CB 3.68Å; L413-P439 HydrophobicContact CG-CG 3.71Å; L430-P439 HydrophobicContact CD1-CG 4.21Å; P439-P698 WeakPolarHBondContact O-CB 3.44Å
440D98Very high96.9Very high66 Ų6624.8 Ų24.835%0.35312%0.123SC..SBendtrans-80-24.4-179.4-62.3-85.3000111.9K410 I411 R437 P699K410-D440 WeakPolarHBondContact CA-OD2 3.35Å; I411-D440 PolarHBondContact N-OD2 3.04Å; I411-D440 PolarHBondContact O-N 3.4Å; R437-D440 IonicContact CZ-OD2 3.7Å; R437-D440 IonicContact NH2-OD1 3.32Å; R437-D440 IonicContact NH2-OD2 2.66Å; R437-D440 PolarHBondContact NH2-OD2 2.88Å; D440-P699 WeakPolarHBondContact O-CD 3.45Å
441A98.2Very high96.5Very high0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans-159.7160.6173.500000112.3L413 P699 Y764L413-A441 PolarHBondContact N-O 3.2Å; A441-P699 CarbonylContact C-O 3.54Å; A441-P699 VanDerWaalsContact CA-O 3.27Å; A441-P699 WeakPolarHBondContact CA-O 3.43Å; A441-Y764 HydrophobicContact CB-CD1 3.62Å; A441-Y764 HydrophobicContact CB-CD2 3.57Å; A441-Y764 HydrophobicContact CB-CE1 4.12Å; A441-Y764 HydrophobicContact CB-CE2 4.05Å; A441-Y764 HydrophobicContact CB-CG 3.33Å
442L98.6Very high95.9Very high0 Ų025.3 Ų25.30%013%0.125CC..EExtended strand (participates in β ladder)trans-127.7123.1172.717464.2000109.4L413 L423 T424 V444 M697 P698 P699 T700 S701L413-L442 HydrophobicContact CB-CD1 3.69Å; L413-L442 HydrophobicContact CD1-CD1 4.41Å; L413-L442 CarbonylContact O-C 3.57Å; L413-L442 WeakPolarHBondContact O-CA 3.06Å; L423-L442 HydrophobicContact CB-CD1 3.85Å; T424-L442 HydrophobicContact CG2-CD2 4.37Å; L442-V444 HydrophobicContact CD1-CG1 3.56Å; L442-V444 HydrophobicContact CD2-CG1 4.25Å; L442-V444 HydrophobicContact CG-CG1 3.78Å; L442-M697 HydrophobicContact CD2-CE 3.77Å; L442-P698 HydrophobicContact CB-CG 4.36Å; L442-P699 PolarHBondContact N-O 3.41Å; L442-T700 HydrophobicContact CB-CG2 4.28Å; L442-T700 HydrophobicContact CD2-CG2 3.95Å; L442-T700 HydrophobicContact CG-CG2 4.13Å; L442-T700 CarbonylContact O-C 3.59Å; L442-T700 VanDerWaalsContact O-CA 3.25Å; L442-T700 WeakPolarHBondContact O-CA 3.29Å; L442-S701 PolarHBondContact O-N 3.36Å
443V98.1Very high95.1Very high1 Ų122.4 Ų22.41%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-117.9117.4174.5-175.70000108.7L413 V414 G415 S701 L703 R760 V761 Y764L413-V443 PolarHBondContact O-N 3.08Å; V414-V443 VanDerWaalsContact CA-O 3.32Å; V414-V443 WeakPolarHBondContact CA-O 3.28Å; V414-V443 HydrophobicContact CG2-CB 4.32Å; G415-V443 PolarHBondContact N-O 3.17Å; V443-S701 WeakPolarHBondContact CA-O 3.38Å; V443-L703 HydrophobicContact CG1-CD1 3.75Å; V443-R760 HydrophobicContact CG1-CB 4.17Å; V443-R760 HydrophobicContact CG2-CB 4.49Å; V443-V761 HydrophobicContact CB-CG2 4.1Å; V443-V761 HydrophobicContact CG1-CG2 4.1Å; V443-V761 HydrophobicContact CG2-CG2 3.91Å; V443-Y764 HydrophobicContact CG2-CD2 4.05Å; V443-Y764 HydrophobicContact CG2-CE2 4.15Å
444V97.9Very high94.7Very high1 Ų122.4 Ų22.41%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-128133.4-173.4-69.10000111.7G415 L442 A447 F449 T700 S701 I702 L703G415-V444 VanDerWaalsContact O-CA 3.28Å; G415-V444 WeakPolarHBondContact O-CA 3.28Å; L442-V444 HydrophobicContact CD1-CG1 3.56Å; L442-V444 HydrophobicContact CD2-CG1 4.25Å; L442-V444 HydrophobicContact CG-CG1 3.78Å; V444-A447 HydrophobicContact CB-CB 4.42Å; V444-F449 HydrophobicContact CG2-CE1 4.26Å; V444-F449 HydrophobicContact CG2-CZ 3.69Å; V444-T700 HydrophobicContact CG2-CG2 4.43Å; V444-S701 WeakPolarHBondContact CG2-O 3.49Å; V444-S701 PolarHBondContact N-O 3.18Å; V444-I702 HydrophobicContact CG2-CG1 4.07Å; V444-L703 PolarHBondContact O-N 3.24Å
445A96.2Very high94.5Very high1 Ų116.6 Ų16.61%0.0089%0.089CC..EExtended strand (participates in β ladder)trans-113.5129177.500000111.2G415 D416 S417 A447 L703 M741G415-A445 PolarHBondContact O-N 2.92Å; D416-A445 CarbonylContact C-O 3.5Å; D416-A445 WeakPolarHBondContact CA-O 3.29Å; D416-A445 HydrophobicContact CB-CB 4.25Å; S417-A445 PolarHBondContact N-O 3.18Å; A445-A447 PolarHBondContact O-N 3.24Å; A445-A447 VanDerWaalsContact O-N 3.07Å; A445-L703 CarbonylContact C-O 3.59Å; A445-L703 WeakPolarHBondContact CA-O 3.44Å; A445-L703 HydrophobicContact CB-CB 4.26Å; A445-M741 HydrophobicContact CB-CE 3.51Å
446Y95.7Very high94.3Very high2 Ų217.1 Ų17.11%0.0089%0.093CC..SBendtrans44.242.6174.545.4-103.8000114.2D416 L703 D708 H738 F740 M741D416-Y446 HydrophobicContact CB-CE2 3.67Å; D416-Y446 WeakPolarHBondContact CB-OH 2.98Å; D416-Y446 WeakPolarHBondContact OD2-CE2 3.25Å; D416-Y446 PolarHBondContact OD2-OH 2.95Å; Y446-L703 PolarHBondContact N-O 2.82Å; Y446-D708 WeakPolarHBondContact CB-OD2 3.35Å; Y446-H738 AromaticContact CD2-CE1 3.38Å; Y446-H738 WeakPolarHBondContact CD2-CE1 3.43Å; Y446-H738 AromaticContact CD2-ND1 3.73Å; Y446-H738 AromaticContact CD2-NE2 3.74Å; Y446-H738 AromaticContact CG-CE1 3.96Å; Y446-H738 AromaticContact CG-ND1 3.88Å; Y446-H738 PolarHBondContact O-CE1 2.99Å; Y446-H738 VanDerWaalsContact O-CE1 3.25Å; Y446-F740 AromaticContact CD1-CD1 3.72Å; Y446-F740 HydrophobicContact CD1-CD1 3.72Å; Y446-F740 AromaticContact CD1-CE1 3.48Å; Y446-F740 HydrophobicContact CD1-CE1 3.48Å; Y446-F740 VanDerWaalsContact CD1-CE1 3.48Å; Y446-F740 HydrophobicContact CD1-CZ 4.43Å; Y446-F740 AromaticContact CE1-CD1 3.47Å; Y446-F740 HydrophobicContact CE1-CD1 3.47Å; Y446-F740 VanDerWaalsContact CE1-CD1 3.47Å; Y446-F740 AromaticContact CE1-CE1 3.35Å; Y446-F740 HydrophobicContact CE1-CE1 3.35Å; Y446-F740 HydrophobicContact CE1-CG 4.25Å; Y446-F740 HydrophobicContact CE1-CZ 4Å; Y446-M741 HydrophobicContact CE1-CG 4.48Å
447A97.4Very high94.3Very high1 Ų114.2 Ų14.21%0.0087%0.072CC..  trans-80.9137.9-176.400000112.2V444 A445 F449V444-A447 HydrophobicContact CB-CB 4.42Å; A445-A447 PolarHBondContact O-N 3.24Å; A445-A447 VanDerWaalsContact O-N 3.07Å; A447-F449 HydrophobicContact CB-CE1 4.09Å; A447-F449 HydrophobicContact CB-CE2 4.13Å; A447-F449 HydrophobicContact CB-CZ 3.89Å; A447-F449 WeakPolarHBondContact O-CD2 3.29Å; A447-F449 PolarHBondContact O-N 2.96Å
448P96.3Very high94.2Very high6 Ų610.6 Ų10.64%0.0396%0.059CC..  trans-83.770.5179.632.6-33.7000112.1S417 L421 L450 F451 L710S417-P448 WeakPolarHBondContact O-CD 3.22Å; L421-P448 HydrophobicContact CB-CG 4.49Å; L421-P448 HydrophobicContact CD1-CG 4.09Å; L421-P448 VanDerWaalsContact CD1-O 3.26Å; L421-P448 WeakPolarHBondContact CD1-O 3.44Å; P448-L450 CarbonylContact O-C 3.55Å; P448-L450 PolarHBondContact O-N 2.94Å; P448-L450 VanDerWaalsContact O-N 3.07Å; P448-F451 HydrophobicContact CB-CD2 3.92Å; P448-F451 HydrophobicContact CB-CE2 4.46Å; P448-F451 HydrophobicContact CG-CD2 3.79Å; P448-F451 HydrophobicContact CG-CE2 4.08Å; P448-F451 PolarHBondContact O-N 3.4Å; P448-L710 HydrophobicContact CB-CD1 3.78Å; P448-L710 HydrophobicContact CB-CD2 4Å; P448-L710 HydrophobicContact CB-CG 4.45Å; P448-L710 HydrophobicContact CG-CD1 4.39Å
449F97.2Very high94Very high1 Ų19.2 Ų9.20%0.0045%0.051CC..SBendtrans-56.9-25.5-174.5-59.6-74000114.9T424 V444 A447 S685 P686 L687 I702 D713 F717T424-F449 HydrophobicContact CG2-CD1 4.18Å; T424-F449 HydrophobicContact CG2-CE1 4.07Å; V444-F449 HydrophobicContact CG2-CE1 4.26Å; V444-F449 HydrophobicContact CG2-CZ 3.69Å; A447-F449 HydrophobicContact CB-CE1 4.09Å; A447-F449 HydrophobicContact CB-CE2 4.13Å; A447-F449 HydrophobicContact CB-CZ 3.89Å; A447-F449 WeakPolarHBondContact O-CD2 3.29Å; A447-F449 PolarHBondContact O-N 2.96Å; F449-S685 CarbonylContact O-C 3.54Å; F449-S685 WeakPolarHBondContact O-CA 3.46Å; F449-P686 HydrophobicContact CD1-CB 4.42Å; F449-P686 WeakPolarHBondContact O-CD 3.43Å; F449-L687 HydrophobicContact CB-CB 4.23Å; F449-L687 WeakPolarHBondContact O-CB 3.29Å; F449-L687 PolarHBondContact O-N 3.1Å; F449-I702 HydrophobicContact CE2-CG2 4.12Å; F449-I702 HydrophobicContact CZ-CG1 4.34Å; F449-I702 HydrophobicContact CZ-CG2 4.4Å; F449-D713 HydrophobicContact CB-CB 4.29Å; F449-D713 HydrophobicContact CD2-CB 4.27Å; F449-D713 PolarHBondContact N-OD2 3.07Å; F449-F717 HydrophobicContact CB-CB 4.11Å; F449-F717 HydrophobicContact CB-CD2 4.23Å; F449-F717 HydrophobicContact CB-CG 4.15Å; F449-F717 HydrophobicContact CD1-CB 4.37Å; F449-F717 AromaticContact CD1-CD1 3.6Å; F449-F717 HydrophobicContact CD1-CD1 3.6Å; F449-F717 HydrophobicContact CD1-CD2 4.07Å; F449-F717 AromaticContact CD1-CE1 3.81Å; F449-F717 HydrophobicContact CD1-CE1 3.81Å; F449-F717 HydrophobicContact CD1-CE2 4.26Å; F449-F717 AromaticContact CD1-CG 3.75Å; F449-F717 HydrophobicContact CD1-CG 3.75Å; F449-F717 HydrophobicContact CD1-CZ 4.14Å; F449-F717 HydrophobicContact CD2-CB 3.63Å; F449-F717 AromaticContact CD2-CD1 3.99Å; F449-F717 HydrophobicContact CD2-CD1 3.99Å; F449-F717 AromaticContact CD2-CG 3.9Å; F449-F717 HydrophobicContact CD2-CG 3.9Å; F449-F717 AromaticContact CE1-CD1 3.39Å; F449-F717 HydrophobicContact CE1-CD1 3.39Å; F449-F717 AromaticContact CE1-CE1 3.47Å; F449-F717 HydrophobicContact CE1-CE1 3.47Å; F449-F717 VanDerWaalsContact CE1-CE1 3.47Å; F449-F717 HydrophobicContact CE1-CG 4.04Å; F449-F717 HydrophobicContact CE1-CZ 4.17Å; F449-F717 HydrophobicContact CE2-CB 4.07Å; F449-F717 AromaticContact CE2-CD1 3.81Å; F449-F717 HydrophobicContact CE2-CD1 3.81Å; F449-F717 HydrophobicContact CE2-CG 4.18Å; F449-F717 HydrophobicContact CG-CB 3.79Å; F449-F717 AromaticContact CG-CD1 3.88Å; F449-F717 HydrophobicContact CG-CD1 3.88Å; F449-F717 HydrophobicContact CG-CD2 4.12Å; F449-F717 AromaticContact CG-CG 3.67Å; F449-F717 HydrophobicContact CG-CG 3.67Å; F449-F717 AromaticContact CZ-CD1 3.49Å; F449-F717 HydrophobicContact CZ-CD1 3.49Å; F449-F717 VanDerWaalsContact CZ-CD1 3.49Å; F449-F717 AromaticContact CZ-CE1 3.94Å; F449-F717 HydrophobicContact CZ-CE1 3.94Å; F449-F717 HydrophobicContact CZ-CG 4.23Å
450L94Very high93.7Very high9 Ų99 Ų95%0.0475%0.05CC..SBendtrans-106.392.2166.7-173.960.7000108.5F154 P448 Q452 V454 R459 L687 L688 D713F154-L450 HydrophobicContact CB-CD2 4.38Å; F154-L450 HydrophobicContact CD1-CD2 3.65Å; F154-L450 HydrophobicContact CD2-CD2 4.04Å; F154-L450 HydrophobicContact CE1-CD2 3.82Å; F154-L450 HydrophobicContact CE2-CD2 4.21Å; F154-L450 HydrophobicContact CG-CD2 3.75Å; F154-L450 HydrophobicContact CZ-CD2 4.1Å; P448-L450 CarbonylContact O-C 3.55Å; P448-L450 PolarHBondContact O-N 2.94Å; P448-L450 VanDerWaalsContact O-N 3.07Å; L450-Q452 HydrophobicContact CD1-CB 4.35Å; L450-Q452 HydrophobicContact CD1-CG 4.28Å; L450-Q452 HydrophobicContact CG-CB 4.32Å; L450-Q452 PolarHBondContact O-N 3.3Å; L450-V454 HydrophobicContact CD2-CG2 3.49Å; L450-V454 VanDerWaalsContact CD2-CG2 3.49Å; L450-V454 HydrophobicContact CG-CG2 4.39Å; L450-R459 PolarHBondContact O-NH2 3.34Å; L450-L687 HydrophobicContact CB-CB 4.17Å; L450-L687 HydrophobicContact CB-CD2 3.75Å; L450-L687 HydrophobicContact CD2-CD2 4.18Å; L450-L687 HydrophobicContact CG-CD2 4.39Å; L450-L688 HydrophobicContact CD1-CD1 4.46Å; L450-L688 HydrophobicContact CD1-CD2 4.21Å; L450-L688 HydrophobicContact CD1-CG 4.18Å; L450-D713 WeakPolarHBondContact CA-OD2 3.25Å; L450-D713 WeakPolarHBondContact CB-OD2 3.26Å; L450-D713 PolarHBondContact N-OD2 2.98Å
451F89.8Confident93.5Very high9 Ų96.1 Ų6.14%0.0394%0.035CC..  trans-82.649.5-179.7-153.2-118000111.7F348 L421 P448 M477 Y480 I481 I684 S685F348-F451 HydrophobicContact CD2-CE1 4.22Å; F348-F451 HydrophobicContact CD2-CE2 4.33Å; F348-F451 AromaticContact CD2-CZ 3.7Å; F348-F451 HydrophobicContact CD2-CZ 3.7Å; F348-F451 HydrophobicContact CE2-CD2 4.32Å; F348-F451 AromaticContact CE2-CE1 3.88Å; F348-F451 HydrophobicContact CE2-CE1 3.88Å; F348-F451 AromaticContact CE2-CE2 3.64Å; F348-F451 HydrophobicContact CE2-CE2 3.64Å; F348-F451 AromaticContact CE2-CZ 3.37Å; F348-F451 HydrophobicContact CE2-CZ 3.37Å; F348-F451 HydrophobicContact CZ-CZ 4.47Å; L421-F451 HydrophobicContact CD1-CB 3.8Å; L421-F451 HydrophobicContact CD1-CD2 4.12Å; L421-F451 HydrophobicContact CD1-CG 4.03Å; P448-F451 HydrophobicContact CB-CD2 3.92Å; P448-F451 HydrophobicContact CB-CE2 4.46Å; P448-F451 HydrophobicContact CG-CD2 3.79Å; P448-F451 HydrophobicContact CG-CE2 4.08Å; P448-F451 PolarHBondContact O-N 3.4Å; F451-M477 HydrophobicContact CD1-CG 3.96Å; F451-M477 HydrophobicContact CD2-CE 3.89Å; F451-M477 HydrophobicContact CD2-CG 4.15Å; F451-M477 HydrophobicContact CE1-CB 4Å; F451-M477 HydrophobicContact CE1-CG 3.6Å; F451-M477 HydrophobicContact CE2-CE 4.14Å; F451-M477 HydrophobicContact CE2-CG 3.76Å; F451-M477 HydrophobicContact CG-CE 4.26Å; F451-M477 HydrophobicContact CG-CG 4.23Å; F451-M477 HydrophobicContact CZ-CB 4.15Å; F451-M477 HydrophobicContact CZ-CG 3.47Å; F451-M477 VanDerWaalsContact CZ-CG 3.47Å; F451-Y480 AromaticContact CD1-CD1 3.9Å; F451-Y480 HydrophobicContact CD1-CD1 3.9Å; F451-Y480 HydrophobicContact CD1-CE1 4.47Å; F451-Y480 AromaticContact CE1-CD1 3.55Å; F451-Y480 HydrophobicContact CE1-CD1 3.55Å; F451-Y480 HydrophobicContact CE1-CE1 4.45Å; F451-Y480 HydrophobicContact CE1-CG 4.16Å; F451-Y480 HydrophobicContact CZ-CD1 4.5Å; F451-I481 HydrophobicContact CD1-CD1 4.46Å; F451-I481 HydrophobicContact CD1-CG1 4.5Å; F451-I684 HydrophobicContact CB-CG2 4.33Å; F451-I684 VanDerWaalsContact CB-O 3.3Å; F451-I684 WeakPolarHBondContact CB-O 3.29Å; F451-I684 HydrophobicContact CD1-CG2 4.26Å; F451-S685 PolarHBondContact N-OG 3.39Å
452Q85.7Confident93.3Very high7 Ų76.2 Ų6.23%0.0334%0.035CC..SBendtrans-132.7144.1174.2-61.7-174.715.700109.2L450 V454 S679L450-Q452 HydrophobicContact CD1-CB 4.35Å; L450-Q452 HydrophobicContact CD1-CG 4.28Å; L450-Q452 HydrophobicContact CG-CB 4.32Å; L450-Q452 PolarHBondContact O-N 3.3Å; Q452-V454 HydrophobicContact CB-CG1 4.32Å; Q452-V454 PolarHBondContact O-N 3.23Å; Q452-V454 VanDerWaalsContact O-N 3.12Å; Q452-S679 PolarHBondContact NE2-O 3.25Å
453F78.4Confident93.1Very high22 Ų226.3 Ų6.310%0.0964%0.036CC..  trans-89.774.5178.7-151.6-117.3000111.2M167 F170 W470 T473 Y474 M477M167-F453 HydrophobicContact CE-CD1 3.4Å; M167-F453 HydrophobicContact CE-CE1 3.01Å; M167-F453 HydrophobicContact CE-CE2 4.36Å; M167-F453 HydrophobicContact CE-CG 4.2Å; M167-F453 HydrophobicContact CE-CZ 3.52Å; F170-F453 HydrophobicContact CD1-CE1 4.35Å; F170-F453 HydrophobicContact CE1-CE1 4.23Å; F170-F453 AromaticContact CE1-CZ 4Å; F170-F453 HydrophobicContact CE1-CZ 4Å; F453-W470 HydrophobicContact CE1-CB 3.97Å; F453-W470 HydrophobicContact CE1-CE3 4.19Å; F453-W470 HydrophobicContact CE2-CB 4.14Å; F453-W470 HydrophobicContact CZ-CB 3.38Å; F453-W470 HydrophobicContact CZ-CG 4.36Å; F453-T473 HydrophobicContact CD2-CG2 4.31Å; F453-T473 HydrophobicContact CE2-CG2 4.47Å; F453-Y474 HydrophobicContact CB-CD2 4.41Å; F453-Y474 HydrophobicContact CD1-CD2 4.31Å; F453-Y474 HydrophobicContact CG-CD2 4.5Å; F453-M477 HydrophobicContact CB-SD 4.03Å
454V87.7Confident92.9Very high22 Ų226.5 Ų6.513%0.1334%0.036CC..  trans-105155.6175.7-67.10000110.6F154 L450 Q452 R459F154-V454 HydrophobicContact CD1-CG2 3.7Å; F154-V454 HydrophobicContact CE1-CG2 4.22Å; L450-V454 HydrophobicContact CD2-CG2 3.49Å; L450-V454 VanDerWaalsContact CD2-CG2 3.49Å; L450-V454 HydrophobicContact CG-CG2 4.39Å; Q452-V454 HydrophobicContact CB-CG1 4.32Å; Q452-V454 PolarHBondContact O-N 3.23Å; Q452-V454 VanDerWaalsContact O-N 3.12Å; V454-R459 WeakPolarHBondContact O-CG 3.29Å
455P91Very high92.7Very high19 Ų196.5 Ų6.512%0.1234%0.036CC..  trans-70.6137.4-178.527.7-30.2000111.1P155 A163 V166 M167P155-P455 WeakPolarHBondContact CD-O 3.39Å; P155-P455 HydrophobicContact CG-CG 3.92Å; A163-P455 HydrophobicContact CB-CG 3.86Å; V166-P455 HydrophobicContact CB-CB 4.41Å; V166-P455 HydrophobicContact CB-CG 4.27Å; V166-P455 HydrophobicContact CG1-CB 3.95Å; V166-P455 HydrophobicContact CG1-CG 4.33Å; M167-P455 HydrophobicContact CG-CB 4.41Å; M167-P455 HydrophobicContact CG-CG 4.45Å; M167-P455 WeakPolarHBondContact SD-CA 3.23Å; M167-P455 HydrophobicContact SD-CB 3.58Å; M167-P455 VanDerWaalsContact SD-CB 3.58Å; M167-P455 HydrophobicContact SD-CG 4.25Å
456S93.3Very high92.4Very high13 Ų136.6 Ų6.69%0.0914%0.037CC..  trans-147.616816489.10000108.7S458 R459 D712S456-S458 VanDerWaalsContact C-N 3.33Å; S456-S458 PolarHBondContact O-N 3.45Å; S456-S458 PolarHBondContact OG-N 2.85Å; S456-S458 PolarHBondContact OG-OG 2.82Å; S456-R459 PolarHBondContact O-N 3.17Å; S456-R459 WeakPolarHBondContact OG-CG 3.17Å; S456-R459 PolarHBondContact OG-N 3.21Å; S456-D712 WeakPolarHBondContact CB-OD2 3.45Å; S456-D712 PolarHBondContact OG-OD2 3.32Å
457A94.2Very high92.1Very high3 Ų38.1 Ų8.13%0.0255%0.045CC..THydrogen-bonded Turntrans-62.4-41.5176.700000111.3G83 F84 I87 R459 L460 D712G83-A457 VanDerWaalsContact C-CB 3.5Å; F84-A457 HydrophobicContact CD1-CB 3.89Å; F84-A457 HydrophobicContact CD2-CB 4.01Å; F84-A457 HydrophobicContact CE1-CB 3.97Å; F84-A457 HydrophobicContact CE2-CB 4.06Å; F84-A457 HydrophobicContact CG-CB 3.93Å; F84-A457 HydrophobicContact CZ-CB 4.05Å; I87-A457 HydrophobicContact CD1-CB 3.92Å; I87-A457 WeakPolarHBondContact CD1-O 3.43Å; A457-R459 VanDerWaalsContact C-N 3.35Å; A457-R459 PolarHBondContact O-N 2.98Å; A457-L460 VanDerWaalsContact O-CB 3.29Å; A457-L460 WeakPolarHBondContact O-CB 3.06Å; A457-L460 PolarHBondContact O-N 3.08Å; A457-D712 PolarHBondContact N-OD2 2.88Å
458S94.9Very high91.8Very high0 Ų08.8 Ų8.80%05%0.048CC..G310 helixtrans-67.4-32.917871.80000112.3S456 L460 L461 P709 D712S456-S458 VanDerWaalsContact C-N 3.33Å; S456-S458 PolarHBondContact O-N 3.45Å; S456-S458 PolarHBondContact OG-N 2.85Å; S456-S458 PolarHBondContact OG-OG 2.82Å; S458-L460 PolarHBondContact O-N 3.3Å; S458-L461 WeakPolarHBondContact O-CB 3.27Å; S458-L461 VanDerWaalsContact O-CD1 3.31Å; S458-L461 WeakPolarHBondContact O-CD1 3.36Å; S458-L461 WeakPolarHBondContact O-CG 3.48Å; S458-L461 PolarHBondContact O-N 2.81Å; S458-P709 CarbonylContact C-O 3.23Å; S458-P709 WeakPolarHBondContact CB-O 3.25Å; S458-P709 WeakPolarHBondContact O-CA 3.26Å; S458-P709 PolarHBondContact OG-O 3.45Å; S458-D712 WeakPolarHBondContact CB-OD2 3.43Å; S458-D712 PolarHBondContact N-OD2 3.45Å; S458-D712 VanDerWaalsContact OG-CB 3.31Å; S458-D712 WeakPolarHBondContact OG-CB 3.35Å; S458-D712 PolarHBondContact OG-N 3.19Å; S458-D712 PolarHBondContact OG-OD2 3.02Å
459R93.6Very high91.6Very high4 Ų48.6 Ų8.62%0.0155%0.047CC..G310 helixtrans-57.8-26177.3-63.4-51.1172.4149.80.2113.2L450 V454 S456 A457 L461 S462 P709 D713L450-R459 PolarHBondContact O-NH2 3.34Å; V454-R459 WeakPolarHBondContact O-CG 3.29Å; S456-R459 PolarHBondContact O-N 3.17Å; S456-R459 WeakPolarHBondContact OG-CG 3.17Å; S456-R459 PolarHBondContact OG-N 3.21Å; A457-R459 VanDerWaalsContact C-N 3.35Å; A457-R459 PolarHBondContact O-N 2.98Å; R459-L461 PolarHBondContact O-N 3.34Å; R459-S462 WeakPolarHBondContact O-CB 3.38Å; R459-S462 PolarHBondContact O-N 2.97Å; R459-S462 VanDerWaalsContact O-N 3.11Å; R459-S462 PolarHBondContact O-OG 2.86Å; R459-P709 WeakPolarHBondContact CD-O 3.4Å; R459-D713 IonicContact CZ-OD1 3.94Å; R459-D713 IonicContact NE-OD1 3.33Å; R459-D713 IonicContact NH2-OD1 2.82Å; R459-D713 PolarHBondContact NH2-OD1 3.38Å; R459-D713 IonicContact NH2-OD2 3.89Å; R459-D713 PolarHBondContact NH2-OD2 2.81Å
460L91.2Very high91.3Very high3 Ų38.7 Ų8.72%0.0165%0.047CC..G310 helixtrans-55.4-35172.8-173.5151.8000112.9I87 A137 V141 A457 S458 S462 L463 F464I87-L460 HydrophobicContact CD1-CB 4.36Å; I87-L460 HydrophobicContact CD1-CD1 4.09Å; I87-L460 HydrophobicContact CG1-CD2 4.28Å; A137-L460 VanDerWaalsContact C-CD1 3.42Å; A137-L460 HydrophobicContact CB-CD1 3.47Å; A137-L460 VanDerWaalsContact CB-CD1 3.47Å; A137-L460 HydrophobicContact CB-CD2 4.25Å; A137-L460 HydrophobicContact CB-CG 3.75Å; A137-L460 WeakPolarHBondContact O-CD1 3.4Å; V141-L460 HydrophobicContact CG2-CD1 3.62Å; A457-L460 VanDerWaalsContact O-CB 3.29Å; A457-L460 WeakPolarHBondContact O-CB 3.06Å; A457-L460 PolarHBondContact O-N 3.08Å; S458-L460 PolarHBondContact O-N 3.3Å; L460-S462 PolarHBondContact O-N 3.08Å; L460-S462 VanDerWaalsContact O-N 3.11Å; L460-L463 HydrophobicContact CG-CD1 4.48Å; L460-L463 WeakPolarHBondContact O-CB 3.43Å; L460-L463 PolarHBondContact O-N 2.92Å; L460-F464 HydrophobicContact CD2-CD2 4.21Å; L460-F464 HydrophobicContact CD2-CE2 3.64Å
461L94.4Very high91.1Very high5 Ų58.3 Ų8.33%0.0265%0.045CC..G310 helixtrans-58.6-26.3-179.8-66.1150.2000112.2L90 S458 R459 L463 F464 D465 L707 D708 P709L90-L461 HydrophobicContact CD2-CD2 4.02Å; S458-L461 WeakPolarHBondContact O-CB 3.27Å; S458-L461 VanDerWaalsContact O-CD1 3.31Å; S458-L461 WeakPolarHBondContact O-CD1 3.36Å; S458-L461 WeakPolarHBondContact O-CG 3.48Å; S458-L461 PolarHBondContact O-N 2.81Å; R459-L461 PolarHBondContact O-N 3.34Å; L461-L463 PolarHBondContact O-N 2.91Å; L461-L463 VanDerWaalsContact O-N 3.15Å; L461-F464 CarbonylContact O-C 3.57Å; L461-F464 WeakPolarHBondContact O-CA 3.1Å; L461-F464 PolarHBondContact O-N 3.02Å; L461-D465 PolarHBondContact O-N 3.46Å; L461-L707 HydrophobicContact CD2-CD2 4.25Å; L461-D708 WeakPolarHBondContact CD1-O 3.3Å; L461-P709 HydrophobicContact CB-CB 4.48Å; L461-P709 HydrophobicContact CB-CG 4Å
462S94.6Very high91Very high1 Ų18 Ų81%0.0074%0.044CC..G310 helixtrans-66.4-12.5177.868.30000113.9F170 Q175 R459 L460 F464 P469F170-S462 WeakPolarHBondContact CZ-OG 3.46Å; Q175-S462 PolarHBondContact NE2-O 2.83Å; R459-S462 WeakPolarHBondContact O-CB 3.38Å; R459-S462 PolarHBondContact O-N 2.97Å; R459-S462 VanDerWaalsContact O-N 3.11Å; R459-S462 PolarHBondContact O-OG 2.86Å; L460-S462 PolarHBondContact O-N 3.08Å; L460-S462 VanDerWaalsContact O-N 3.11Å; S462-F464 PolarHBondContact O-N 2.83Å; S462-P469 WeakPolarHBondContact O-CA 3.19Å
463L93.6Very high91.2Very high3 Ų38.4 Ų8.42%0.0165%0.047CC..G310 helixtrans-68.2-26.5166.9-67173000112.2A137 F170 L173 Q175 A178 L460 L461A137-L463 HydrophobicContact CB-CD1 3.5Å; A137-L463 VanDerWaalsContact CB-CD1 3.5Å; F170-L463 HydrophobicContact CD2-CD1 4.2Å; F170-L463 HydrophobicContact CD2-CD2 4.5Å; F170-L463 HydrophobicContact CD2-CG 4.4Å; F170-L463 HydrophobicContact CE1-CD2 4.26Å; F170-L463 HydrophobicContact CE2-CD1 3.54Å; F170-L463 HydrophobicContact CE2-CD2 3.82Å; F170-L463 HydrophobicContact CE2-CG 3.44Å; F170-L463 VanDerWaalsContact CE2-CG 3.44Å; F170-L463 HydrophobicContact CZ-CD1 4.19Å; F170-L463 HydrophobicContact CZ-CD2 3.69Å; F170-L463 HydrophobicContact CZ-CG 3.55Å; L173-L463 HydrophobicContact CB-CD1 4.28Å; L173-L463 HydrophobicContact CB-CD2 4.12Å; L173-L463 HydrophobicContact CD1-CD1 3.7Å; Q175-L463 HydrophobicContact CG-CB 4.24Å; Q175-L463 HydrophobicContact CG-CD2 3.6Å; Q175-L463 PolarHBondContact NE2-O 3.06Å; A178-L463 WeakPolarHBondContact CB-O 3.25Å; L460-L463 HydrophobicContact CG-CD1 4.48Å; L460-L463 WeakPolarHBondContact O-CB 3.43Å; L460-L463 PolarHBondContact O-N 2.92Å; L461-L463 PolarHBondContact O-N 2.91Å; L461-L463 VanDerWaalsContact O-N 3.15Å
464F93.3Very high91.6Very high5 Ų57.4 Ų7.42%0.0224%0.042CC..THydrogen-bonded Turntrans-117.1-5.1-171-51-79.3000113.4L90 L130 F134 A178 Q186 L460 L461 S462 P466L90-F464 HydrophobicContact CD2-CB 4.35Å; L90-F464 HydrophobicContact CD2-CD2 3.66Å; L90-F464 HydrophobicContact CD2-CE2 4.19Å; L90-F464 HydrophobicContact CD2-CG 4.02Å; L130-F464 HydrophobicContact CD1-CD1 3.7Å; L130-F464 HydrophobicContact CD1-CE1 3.56Å; L130-F464 HydrophobicContact CG-CE1 4.24Å; F134-F464 HydrophobicContact CB-CZ 3.98Å; F134-F464 HydrophobicContact CD2-CE2 4.07Å; F134-F464 AromaticContact CD2-CZ 3.9Å; F134-F464 HydrophobicContact CD2-CZ 3.9Å; F134-F464 HydrophobicContact CG-CZ 4.36Å; A178-F464 HydrophobicContact CB-CD1 3.8Å; A178-F464 HydrophobicContact CB-CE1 4.47Å; Q186-F464 PolarHBondContact NE2-O 3.06Å; Q186-F464 VanDerWaalsContact NE2-O 3.08Å; L460-F464 HydrophobicContact CD2-CD2 4.21Å; L460-F464 HydrophobicContact CD2-CE2 3.64Å; L461-F464 CarbonylContact O-C 3.57Å; L461-F464 WeakPolarHBondContact O-CA 3.1Å; L461-F464 PolarHBondContact O-N 3.02Å; S462-F464 PolarHBondContact O-N 2.83Å; F464-P466 WeakPolarHBondContact O-CD 3.49Å
465D93.8Very high91.4Very high1 Ų16.6 Ų6.61%0.0054%0.037CC..  trans-83.5116.8-177.9-164.2-69.6000110.8F179 L461 L467 I468 P469 P709F179-D465 WeakPolarHBondContact CE1-O 3.27Å; L461-D465 PolarHBondContact O-N 3.46Å; D465-L467 VanDerWaalsContact C-N 3.3Å; D465-L467 PolarHBondContact O-N 3.21Å; D465-L467 WeakPolarHBondContact OD1-CA 3.4Å; D465-L467 WeakPolarHBondContact OD1-CB 3.01Å; D465-L467 PolarHBondContact OD1-N 2.64Å; D465-I468 HydrophobicContact CB-CG1 4.45Å; D465-I468 PolarHBondContact OD1-N 2.82Å; D465-P469 WeakPolarHBondContact O-CD 3.37Å; D465-P709 HydrophobicContact CB-CG 3.92Å
466P90Very high91.3Very high3 Ų36 Ų62%0.0193%0.033CC..SBendtrans-75.5-15.8-178.630.6-34.8000113.9V183 F195 M198 L199 F464V183-P466 HydrophobicContact CG2-CB 3.86Å; V183-P466 HydrophobicContact CG2-CG 4.35Å; F195-P466 HydrophobicContact CB-CB 4.16Å; F195-P466 HydrophobicContact CB-CG 3.85Å; F195-P466 HydrophobicContact CD1-CB 3.98Å; F195-P466 HydrophobicContact CD1-CG 3.45Å; F195-P466 VanDerWaalsContact CD1-CG 3.45Å; F195-P466 HydrophobicContact CD2-CG 3.43Å; F195-P466 VanDerWaalsContact CD2-CG 3.43Å; F195-P466 HydrophobicContact CE1-CG 3.73Å; F195-P466 HydrophobicContact CE2-CG 3.69Å; F195-P466 HydrophobicContact CG-CB 4.02Å; F195-P466 HydrophobicContact CG-CG 3.3Å; F195-P466 HydrophobicContact CZ-CG 3.83Å; M198-P466 HydrophobicContact CE-CB 4.16Å; M198-P466 WeakPolarHBondContact CE-O 3.22Å; L199-P466 HydrophobicContact CD1-CB 3.94Å; L199-P466 HydrophobicContact CD2-CB 4.42Å; L199-P466 HydrophobicContact CG-CB 4.26Å; F464-P466 WeakPolarHBondContact O-CD 3.49Å
467L89.8Confident91Very high33 Ų335.4 Ų5.417%0.1733%0.029CC..SBendtrans-96.9-48.8-177-174.764.6000112F195 M198 D465 P469 H738F195-L467 HydrophobicContact CE1-CB 4.01Å; F195-L467 HydrophobicContact CZ-CB 4.4Å; M198-L467 HydrophobicContact CE-CD1 4.47Å; M198-L467 HydrophobicContact SD-CD1 4.02Å; D465-L467 VanDerWaalsContact C-N 3.3Å; D465-L467 PolarHBondContact O-N 3.21Å; D465-L467 WeakPolarHBondContact OD1-CA 3.4Å; D465-L467 WeakPolarHBondContact OD1-CB 3.01Å; D465-L467 PolarHBondContact OD1-N 2.64Å; L467-P469 WeakPolarHBondContact O-CD 3.5Å; L467-H738 HydrophobicContact CD2-CB 4.37Å; L467-H738 WeakPolarHBondContact CD2-O 3.24Å
468I91.2Very high90.5Very high16 Ų166 Ų68%0.0823%0.031CC..SBendtrans-122.760-177.953.4162.3000112.2D465 P709 L710 H738D465-I468 HydrophobicContact CB-CG1 4.45Å; D465-I468 PolarHBondContact OD1-N 2.82Å; I468-P709 HydrophobicContact CD1-CB 4.26Å; I468-P709 HydrophobicContact CD1-CG 3.94Å; I468-P709 HydrophobicContact CG1-CG 4.15Å; I468-L710 HydrophobicContact CD1-CD1 4.33Å; I468-L710 HydrophobicContact CD1-CG 4.23Å; I468-H738 HydrophobicContact CD1-CB 3.89Å; I468-H738 HydrophobicContact CG1-CB 4.17Å
469P92.6Very high90.2Very high1 Ų16.1 Ų6.11%0.0063%0.032CC..  trans-62.5156.217227.6-31.1000110.4F179 F243 S462 D465 L467 Q471 I472 T473F179-P469 HydrophobicContact CZ-CB 3.88Å; F243-P469 HydrophobicContact CD1-CG 4.25Å; F243-P469 HydrophobicContact CD2-CG 4.18Å; F243-P469 HydrophobicContact CE1-CG 4.01Å; F243-P469 HydrophobicContact CE2-CB 4.45Å; F243-P469 HydrophobicContact CE2-CG 3.94Å; F243-P469 HydrophobicContact CG-CG 4.34Å; F243-P469 HydrophobicContact CZ-CG 3.86Å; S462-P469 WeakPolarHBondContact O-CA 3.19Å; D465-P469 WeakPolarHBondContact O-CD 3.37Å; L467-P469 WeakPolarHBondContact O-CD 3.5Å; P469-Q471 PolarHBondContact O-N 2.94Å; P469-Q471 VanDerWaalsContact O-N 3.11Å; P469-I472 HydrophobicContact CG-CB 4.37Å; P469-I472 HydrophobicContact CG-CG1 3.77Å; P469-I472 PolarHBondContact O-N 3.15Å; P469-T473 PolarHBondContact O-N 3.09Å; P469-T473 VanDerWaalsContact O-N 3.16Å; P469-T473 PolarHBondContact O-OG1 2.73Å
470W91Very high90Very high4 Ų46 Ų62%0.0153%0.032CC..Hα-helixtrans-56.7-36.3-168.870.6-96.6000113.6F170 E171 F453 I472 T473 Y474 F666F170-W470 HydrophobicContact CE1-CB 3.88Å; F170-W470 AromaticContact CE1-CD1 3.83Å; F170-W470 HydrophobicContact CE1-CD2 4.5Å; F170-W470 AromaticContact CE1-CG 3.81Å; F170-W470 HydrophobicContact CE1-CG 3.81Å; E171-W470 HydrophobicContact CB-CH2 3.77Å; E171-W470 HydrophobicContact CB-CZ2 3.83Å; E171-W470 HydrophobicContact CB-CZ3 4.35Å; E171-W470 HydrophobicContact CG-CD2 4.43Å; E171-W470 HydrophobicContact CG-CE3 4.07Å; E171-W470 HydrophobicContact CG-CH2 3.58Å; E171-W470 HydrophobicContact CG-CZ2 3.95Å; E171-W470 HydrophobicContact CG-CZ3 3.65Å; F453-W470 HydrophobicContact CE1-CB 3.97Å; F453-W470 HydrophobicContact CE1-CE3 4.19Å; F453-W470 HydrophobicContact CE2-CB 4.14Å; F453-W470 HydrophobicContact CZ-CB 3.38Å; F453-W470 HydrophobicContact CZ-CG 4.36Å; W470-I472 VanDerWaalsContact C-N 3.27Å; W470-I472 PolarHBondContact O-N 3.44Å; W470-T473 PolarHBondContact O-N 2.94Å; W470-Y474 WeakPolarHBondContact O-CB 3.15Å; W470-Y474 PolarHBondContact O-N 3.21Å; W470-F666 AromaticContact CH2-CE1 3.98Å; W470-F666 HydrophobicContact CH2-CE1 3.98Å; W470-F666 AromaticContact CZ3-CE1 3.84Å; W470-F666 HydrophobicContact CZ3-CE1 3.84Å; W470-F666 HydrophobicContact CZ3-CZ 4.41Å
471Q89.4Confident89.9Confident0 Ų06.6 Ų6.60%04%0.035CC..Hα-helixtrans-60.9-38.1179.4-61.188.6-20.500111.9F243 H244 P469 Y474 R475F243-Q471 HydrophobicContact CB-CB 4.11Å; F243-Q471 HydrophobicContact CB-CG 4.13Å; F243-Q471 VanDerWaalsContact O-CB 3.27Å; F243-Q471 WeakPolarHBondContact O-CB 3.31Å; H244-Q471 PolarHBondContact CE1-NE2 2.83Å; H244-Q471 PolarHBondContact NE2-NE2 3.04Å; P469-Q471 PolarHBondContact O-N 2.94Å; P469-Q471 VanDerWaalsContact O-N 3.11Å; Q471-Y474 WeakPolarHBondContact O-CB 3.39Å; Q471-Y474 PolarHBondContact O-N 2.72Å; Q471-R475 WeakPolarHBondContact O-CG 3.5Å; Q471-R475 PolarHBondContact O-N 3.24Å; Q471-R475 VanDerWaalsContact O-N 3.1Å
472I88.1Confident89.1Confident2 Ų27.2 Ų7.21%0.014%0.043CC..Hα-helixtrans-77.1-40.5-178-55.9-51.5000110.5F243 F251 W255 P469 W470 Y474 R475 C476F243-I472 HydrophobicContact CD1-CD1 4.02Å; F243-I472 HydrophobicContact CD1-CG1 4.1Å; F243-I472 HydrophobicContact CE1-CG1 4.45Å; F251-I472 HydrophobicContact CD1-CD1 3.63Å; F251-I472 HydrophobicContact CD1-CG1 4.22Å; F251-I472 HydrophobicContact CD2-CD1 3.59Å; F251-I472 HydrophobicContact CE1-CD1 3.3Å; F251-I472 HydrophobicContact CE1-CG1 4.06Å; F251-I472 HydrophobicContact CE2-CD1 3.25Å; F251-I472 HydrophobicContact CG-CD1 3.77Å; F251-I472 HydrophobicContact CG-CG2 4.42Å; F251-I472 HydrophobicContact CZ-CD1 3.13Å; F251-I472 HydrophobicContact CZ-CG1 4.31Å; W255-I472 HydrophobicContact CH2-CG2 3.46Å; W255-I472 VanDerWaalsContact CH2-CG2 3.46Å; W255-I472 HydrophobicContact CZ2-CG2 3.7Å; W255-I472 HydrophobicContact CZ3-CG2 4.45Å; P469-I472 HydrophobicContact CG-CB 4.37Å; P469-I472 HydrophobicContact CG-CG1 3.77Å; P469-I472 PolarHBondContact O-N 3.15Å; W470-I472 VanDerWaalsContact C-N 3.27Å; W470-I472 PolarHBondContact O-N 3.44Å; I472-Y474 VanDerWaalsContact C-N 3.25Å; I472-Y474 PolarHBondContact O-N 2.93Å; I472-R475 PolarHBondContact O-N 3.44Å; I472-C476 PolarHBondContact O-N 2.89Å; I472-C476 PolarHBondContact O-SG 2.75Å
473T88.5Confident87.7Confident16 Ų169.1 Ų9.110%0.0986%0.062CC..Hα-helixtrans-54.9-46.3171-58.30000110.4F453 P469 W470 R475 C476 M477F453-T473 HydrophobicContact CD2-CG2 4.31Å; F453-T473 HydrophobicContact CE2-CG2 4.47Å; P469-T473 PolarHBondContact O-N 3.09Å; P469-T473 VanDerWaalsContact O-N 3.16Å; P469-T473 PolarHBondContact O-OG1 2.73Å; W470-T473 PolarHBondContact O-N 2.94Å; T473-R475 PolarHBondContact O-N 3.35Å; T473-C476 PolarHBondContact O-N 2.65Å; T473-M477 HydrophobicContact CG2-CE 3.8Å; T473-M477 HydrophobicContact CG2-SD 4.21Å; T473-M477 WeakPolarHBondContact O-CG 3.41Å; T473-M477 PolarHBondContact O-N 2.82Å
474Y86.5Confident85.5Confident2 Ų214 Ų141%0.0089%0.085CC..Hα-helixtrans-60.8-43.8178.1-161.4-88.3000112.7F453 W470 Q471 I472 M477 Q478 F666 L670 K674 M677F453-Y474 HydrophobicContact CB-CD2 4.41Å; F453-Y474 HydrophobicContact CD1-CD2 4.31Å; F453-Y474 HydrophobicContact CG-CD2 4.5Å; W470-Y474 WeakPolarHBondContact O-CB 3.15Å; W470-Y474 PolarHBondContact O-N 3.21Å; Q471-Y474 WeakPolarHBondContact O-CB 3.39Å; Q471-Y474 PolarHBondContact O-N 2.72Å; I472-Y474 VanDerWaalsContact C-N 3.25Å; I472-Y474 PolarHBondContact O-N 2.93Å; Y474-M477 PolarHBondContact O-N 3.14Å; Y474-Q478 WeakPolarHBondContact O-CB 3.33Å; Y474-Q478 PolarHBondContact O-N 2.87Å; Y474-F666 HydrophobicContact CD1-CE1 4.42Å; Y474-F666 AromaticContact CD1-CZ 3.83Å; Y474-F666 HydrophobicContact CD1-CZ 3.83Å; Y474-F666 HydrophobicContact CE1-CZ 4.48Å; Y474-F666 HydrophobicContact CG-CZ 4.36Å; Y474-L670 HydrophobicContact CE1-CD1 3.95Å; Y474-K674 HydrophobicContact CE2-CG 4.28Å; Y474-K674 WeakPolarHBondContact OH-CG 3.48Å; Y474-K674 PolarHBondContact OH-N 3.36Å; Y474-M677 HydrophobicContact CD2-CE 3.8Å; Y474-M677 HydrophobicContact CE1-CE 4.18Å; Y474-M677 HydrophobicContact CE1-SD 4.4Å; Y474-M677 HydrophobicContact CE2-CE 3.12Å; Y474-M677 HydrophobicContact CE2-SD 4.21Å; Y474-M677 WeakPolarHBondContact OH-CE 3.47Å
475R84.4Confident83Confident4 Ų420.1 Ų20.12%0.01512%0.118CC..Hα-helixtrans-66.6-38.5176.8-71.9177.4-178.2-816.6112.7H244 A246 V248 Q471 I472 T473 Q478 A479 F666H244-R475 PolarHBondContact O-NH2 3.4Å; A246-R475 PolarHBondContact O-NE 3.01Å; A246-R475 PolarHBondContact O-NH1 3.47Å; A246-R475 VanDerWaalsContact O-NH1 3.13Å; A246-R475 PolarHBondContact O-NH2 3.37Å; A246-R475 VanDerWaalsContact O-NH2 3.13Å; V248-R475 HydrophobicContact CB-CB 4.49Å; V248-R475 HydrophobicContact CG2-CB 4.2Å; Q471-R475 WeakPolarHBondContact O-CG 3.5Å; Q471-R475 PolarHBondContact O-N 3.24Å; Q471-R475 VanDerWaalsContact O-N 3.1Å; I472-R475 PolarHBondContact O-N 3.44Å; T473-R475 PolarHBondContact O-N 3.35Å; R475-Q478 PolarHBondContact O-N 3.39Å; R475-A479 VanDerWaalsContact O-CB 3.28Å; R475-A479 WeakPolarHBondContact O-CB 3.44Å; R475-A479 PolarHBondContact O-N 3.17Å; R475-F666 HydrophobicContact CG-CE2 4.2Å; R475-F666 VanDerWaalsContact NH2-CD2 3.29Å
476C88.8Confident80.4Confident6 Ų624 Ų244%0.04116%0.159CC..Hα-helixtrans-63.4-44.1173.8-64.40000110.7G347 I472 T473 A479 Y480G347-C476 WeakPolarHBondContact O-CB 3.32Å; I472-C476 PolarHBondContact O-N 2.89Å; I472-C476 PolarHBondContact O-SG 2.75Å; T473-C476 PolarHBondContact O-N 2.65Å; C476-A479 PolarHBondContact O-N 3.27Å; C476-Y480 WeakPolarHBondContact O-CB 3.31Å; C476-Y480 PolarHBondContact O-N 2.91Å
477M88.2Confident78Confident2 Ų227 Ų271%0.0118%0.18CC..Hα-helixtrans-59.1-49175.3-73.7175.917300111.9F451 F453 T473 Y474 Y480 I481 M677F451-M477 HydrophobicContact CD1-CG 3.96Å; F451-M477 HydrophobicContact CD2-CE 3.89Å; F451-M477 HydrophobicContact CD2-CG 4.15Å; F451-M477 HydrophobicContact CE1-CB 4Å; F451-M477 HydrophobicContact CE1-CG 3.6Å; F451-M477 HydrophobicContact CE2-CE 4.14Å; F451-M477 HydrophobicContact CE2-CG 3.76Å; F451-M477 HydrophobicContact CG-CE 4.26Å; F451-M477 HydrophobicContact CG-CG 4.23Å; F451-M477 HydrophobicContact CZ-CB 4.15Å; F451-M477 HydrophobicContact CZ-CG 3.47Å; F451-M477 VanDerWaalsContact CZ-CG 3.47Å; F453-M477 HydrophobicContact CB-SD 4.03Å; T473-M477 HydrophobicContact CG2-CE 3.8Å; T473-M477 HydrophobicContact CG2-SD 4.21Å; T473-M477 WeakPolarHBondContact O-CG 3.41Å; T473-M477 PolarHBondContact O-N 2.82Å; Y474-M477 PolarHBondContact O-N 3.14Å; M477-Y480 PolarHBondContact O-N 3.33Å; M477-I481 WeakPolarHBondContact O-CB 3.21Å; M477-I481 VanDerWaalsContact O-CG1 3.29Å; M477-I481 WeakPolarHBondContact O-CG1 3.33Å; M477-I481 PolarHBondContact O-N 3.26Å; M477-M677 HydrophobicContact CB-SD 3.96Å
478Q83.6Confident75.6Confident14 Ų1432.9 Ų32.97%0.06521%0.206CC..Hα-helixtrans-61.9-46.2178.4-175.8-176.33.600112.3Y474 R475 G482 L663 L673Y474-Q478 WeakPolarHBondContact O-CB 3.33Å; Y474-Q478 PolarHBondContact O-N 2.87Å; R475-Q478 PolarHBondContact O-N 3.39Å; Q478-G482 WeakPolarHBondContact O-CA 3.38Å; Q478-G482 PolarHBondContact O-N 3.46Å; Q478-L663 HydrophobicContact CG-CD2 4.45Å; Q478-L673 HydrophobicContact CG-CD2 4.39Å
479A87Confident73.1Confident3 Ų339.2 Ų39.23%0.02524%0.24CC..Hα-helixtrans-61.5-46.1179.100000110.8V248 I349 A378 P379 R475 C476V248-A479 HydrophobicContact CG2-CB 4.35Å; I349-A479 HydrophobicContact CG2-CB 3.7Å; A378-A479 VanDerWaalsContact CB-C 3.46Å; A378-A479 HydrophobicContact CB-CB 3.88Å; A378-A479 WeakPolarHBondContact CB-O 3.33Å; P379-A479 HydrophobicContact CB-CB 4.01Å; R475-A479 VanDerWaalsContact O-CB 3.28Å; R475-A479 WeakPolarHBondContact O-CB 3.44Å; R475-A479 PolarHBondContact O-N 3.17Å; C476-A479 PolarHBondContact O-N 3.27Å
480Y90.7Very high71Confident2 Ų244 Ų441%0.00827%0.269CS..Hα-helixtrans-70.6-46.3-178179.8-114.3000113F348 P382 Y383 A386 L422 F451 C476 M477F348-Y480 HydrophobicContact CB-CD2 3.63Å; F348-Y480 HydrophobicContact CB-CE2 4.44Å; F348-Y480 HydrophobicContact CB-CG 4.01Å; F348-Y480 HydrophobicContact CD1-CD1 4.41Å; F348-Y480 AromaticContact CD1-CD2 3.37Å; F348-Y480 HydrophobicContact CD1-CD2 3.37Å; F348-Y480 HydrophobicContact CD1-CE1 4.4Å; F348-Y480 AromaticContact CD1-CE2 3.36Å; F348-Y480 HydrophobicContact CD1-CE2 3.36Å; F348-Y480 AromaticContact CD1-CG 3.91Å; F348-Y480 HydrophobicContact CD1-CG 3.91Å; F348-Y480 AromaticContact CD1-CZ 3.89Å; F348-Y480 HydrophobicContact CD2-CD1 4.23Å; F348-Y480 HydrophobicContact CD2-CD2 4.09Å; F348-Y480 AromaticContact CD2-CG 3.81Å; F348-Y480 HydrophobicContact CD2-CG 3.81Å; F348-Y480 HydrophobicContact CE1-CD1 4.37Å; F348-Y480 HydrophobicContact CE1-CD2 4Å; F348-Y480 HydrophobicContact CE1-CE1 4.06Å; F348-Y480 AromaticContact CE1-CE2 3.68Å; F348-Y480 HydrophobicContact CE1-CE2 3.68Å; F348-Y480 HydrophobicContact CE1-CG 4.32Å; F348-Y480 AromaticContact CE1-CZ 3.69Å; F348-Y480 HydrophobicContact CE2-CD1 4.25Å; F348-Y480 HydrophobicContact CE2-CG 4.29Å; F348-Y480 HydrophobicContact CG-CD1 4.34Å; F348-Y480 AromaticContact CG-CD2 3.41Å; F348-Y480 HydrophobicContact CG-CD2 3.41Å; F348-Y480 VanDerWaalsContact CG-CD2 3.41Å; F348-Y480 AromaticContact CG-CE2 3.94Å; F348-Y480 HydrophobicContact CG-CE2 3.94Å; F348-Y480 AromaticContact CG-CG 3.63Å; F348-Y480 HydrophobicContact CG-CG 3.63Å; F348-Y480 HydrophobicContact CZ-CD1 4.32Å; F348-Y480 HydrophobicContact CZ-CE1 4.18Å; P382-Y480 CarbonylContact C-O 3.59Å; P382-Y480 WeakPolarHBondContact CA-O 3.21Å; P382-Y480 WeakPolarHBondContact CB-O 3.48Å; Y383-Y480 WeakPolarHBondContact CB-O 3.08Å; Y383-Y480 HydrophobicContact CD2-CE1 4.38Å; Y383-Y480 PolarHBondContact N-O 3.47Å; A386-Y480 HydrophobicContact CB-CE2 4.48Å; L422-Y480 HydrophobicContact CD2-CE2 4.39Å; L422-Y480 WeakPolarHBondContact CD2-OH 3.48Å; F451-Y480 AromaticContact CD1-CD1 3.9Å; F451-Y480 HydrophobicContact CD1-CD1 3.9Å; F451-Y480 HydrophobicContact CD1-CE1 4.47Å; F451-Y480 AromaticContact CE1-CD1 3.55Å; F451-Y480 HydrophobicContact CE1-CD1 3.55Å; F451-Y480 HydrophobicContact CE1-CE1 4.45Å; F451-Y480 HydrophobicContact CE1-CG 4.16Å; F451-Y480 HydrophobicContact CZ-CD1 4.5Å; C476-Y480 WeakPolarHBondContact O-CB 3.31Å; C476-Y480 PolarHBondContact O-N 2.91Å; M477-Y480 PolarHBondContact O-N 3.33Å
481I88Confident69.1Low16 Ų1651 Ų518%0.08231%0.306CS..Hα-helixtrans-70.2-35.5-179.8-64171.3000110.6F451 M477 M677 I684F451-I481 HydrophobicContact CD1-CD1 4.46Å; F451-I481 HydrophobicContact CD1-CG1 4.5Å; M477-I481 WeakPolarHBondContact O-CB 3.21Å; M477-I481 VanDerWaalsContact O-CG1 3.29Å; M477-I481 WeakPolarHBondContact O-CG1 3.33Å; M477-I481 PolarHBondContact O-N 3.26Å; I481-M677 HydrophobicContact CD1-CB 4.19Å; I481-M677 HydrophobicContact CD1-CG 4.28Å; I481-I684 HydrophobicContact CD1-CG2 4.33Å; I481-I684 HydrophobicContact CG1-CG2 4.15Å
482G79.1Confident67.6Low18 Ų1852.9 Ų52.919%0.18632%0.318CS..  trans82.9-158.9-175.700000113.4Q478Q478-G482 WeakPolarHBondContact O-CA 3.38Å; Q478-G482 PolarHBondContact O-N 3.46Å
483G63.7Low66.4Low41 Ų4159.8 Ų59.842%0.42334%0.344SS..  trans106.128.9175.400000116.4N676G483-N676 PolarHBondContact O-ND2 3.27Å
484Q47.9Very low66Low104 Ų10467 Ų6749%0.48637%0.37SS..  trans-82.7-16.2176.5-83-126.1-15.800115.3G486 V662Q484-G486 PolarHBondContact O-N 2.96Å; Q484-V662 HydrophobicContact CG-CG1 4.5Å; Q484-V662 PolarHBondContact NE2-O 3.06Å; Q484-V662 PolarHBondContact OE1-O 3.48Å
485D41.4Very low65.7Low135 Ų13567 Ų6772%0.72237%0.369SS*.SBendtrans-69112.3169.5-72.3-22.2000107S487D485-S487 PolarHBondContact O-N 3.17Å; D485-S487 PolarHBondContact O-OG 2.9Å
486G39.3Very low65.9Low83 Ų8371.9 Ų71.986%0.85640%0.396SS*.SBendtrans-57.412.8179.800000115.8Q484 Q488Q484-G486 PolarHBondContact O-N 2.96Å; G486-Q488 PolarHBondContact O-N 3.39Å; G486-Q488 VanDerWaalsContact O-N 3.12Å
487S39.2Very low65.9Low66 Ų6672.3 Ų72.346%0.46240%0.398SS..  trans-69.895.3158.757.60000109.5D485 N489 V490D485-S487 PolarHBondContact O-N 3.17Å; D485-S487 PolarHBondContact O-OG 2.9Å; S487-N489 PolarHBondContact O-N 2.88Å; S487-V490 VanDerWaalsContact OG-CG2 3.27Å; S487-V490 WeakPolarHBondContact OG-CG2 3.41Å
488Q39.2Very low65.9Low155 Ų15574.4 Ų74.472%0.72441%0.407SS*.THydrogen-bonded Turntrans-48.4122.2162.7-63.4-177.2-7.800108.5G486G486-Q488 PolarHBondContact O-N 3.39Å; G486-Q488 VanDerWaalsContact O-N 3.12Å
489N39Very low66.1Low149 Ų14980.9 Ų80.980%0.79744%0.437SS*.THydrogen-bonded Turntrans97.523.7173.9-51.3-30.4000119.9S487 L491S487-N489 PolarHBondContact O-N 2.88Å; N489-L491 PolarHBondContact O-N 3.2Å
490V48.6Very low65.8Low102 Ų10284.9 Ų84.962%0.61846%0.458SS*.  trans-76.196.4162.7-173.70000108.6S487S487-V490 VanDerWaalsContact OG-CG2 3.27Å; S487-V490 WeakPolarHBondContact OG-CG2 3.41Å
491L50.3Low65.3Low151 Ų15187 Ų8779%0.79147%0.471SS*.PPolyproline II helixtrans-47.8138.1165.5-76.1167.4000108.7N489 R493N489-L491 PolarHBondContact O-N 3.2Å; L491-R493 PolarHBondContact O-N 2.86Å
492P57.2Low64.1Low39 Ų3993.6 Ų93.625%0.25350%0.501SS..PPolyproline II helixtrans-54.4132.7177.418.2-27.5000109.5Y383 R494 S679 I684Y383-P492 HydrophobicContact CD1-CB 3.95Å; Y383-P492 HydrophobicContact CE1-CB 4.08Å; P492-R494 PolarHBondContact O-N 3.04Å; P492-S679 WeakPolarHBondContact CG-OG 3.16Å; P492-I684 HydrophobicContact CB-CD1 4.22Å; P492-I684 HydrophobicContact CG-CD1 4.33Å
493R65Low63Low148 Ų14897.8 Ų97.856%0.55852%0.518SS*.PPolyproline II helixtrans-58.7128.7174.5-74.4-179.1177.9174.60.7107.9Y383 P384 L491Y383-R493 WeakPolarHBondContact CD1-O 3.35Å; Y383-R493 WeakPolarHBondContact CE1-O 3.33Å; P384-R493 WeakPolarHBondContact CD-O 3.41Å; P384-R493 HydrophobicContact CG-CB 4.17Å; P384-R493 WeakPolarHBondContact CG-O 3.23Å; L491-R493 PolarHBondContact O-N 2.86Å
494R79.4Confident62.2Low168 Ų168102.9 Ų102.963%0.63454%0.536SS*.PPolyproline II helixtrans-76.5152.4175.2-65.7-174.7179.5-172.1-1.3110.7P492 N496P492-R494 PolarHBondContact O-N 3.04Å; R494-N496 PolarHBondContact O-N 2.9Å; R494-N496 VanDerWaalsContact O-N 3.16Å; R494-N496 PolarHBondContact O-ND2 3.29Å
495V80.8Confident61.8Low0 Ų0103.3 Ų103.30%055%0.551CS.*  trans-56.5113.7170.8-172.40000109.5Y383 P384 I387 E388 L391 K429 F498Y383-V495 HydrophobicContact CE2-CG2 4.29Å; P384-V495 HydrophobicContact CB-CG2 3.92Å; I387-V495 HydrophobicContact CD1-CG2 4.05Å; I387-V495 HydrophobicContact CG1-CG2 4.3Å; I387-V495 HydrophobicContact CG2-CG2 3.51Å; E388-V495 HydrophobicContact CG-CB 4.42Å; E388-V495 HydrophobicContact CG-CG1 3.69Å; L391-V495 HydrophobicContact CD2-CG1 4.42Å; K429-V495 HydrophobicContact CD-CB 4.2Å; K429-V495 HydrophobicContact CD-CG1 4.22Å; K429-V495 HydrophobicContact CG-CG1 4.21Å; K429-V495 PolarHBondContact NZ-O 3.31Å; V495-F498 WeakPolarHBondContact O-CE1 3.37Å
496N86.9Confident61.6Low108 Ų108102.8 Ų102.858%0.57855%0.552SS**  trans-142.418-171-74.2-27.1000113.4E388 R494 F498E388-N496 PolarHBondContact OE1-N 3.42Å; R494-N496 PolarHBondContact O-N 2.9Å; R494-N496 VanDerWaalsContact O-N 3.16Å; R494-N496 PolarHBondContact O-ND2 3.29Å; N496-F498 PolarHBondContact O-N 3.45Å
497N90.1Very high61.5Low15 Ų15106.2 Ų106.28%0.0855%0.551CS.*  trans-77.734-179.769.3-41.8000114.3A301 E388A301-N497 PolarHBondContact N-O 3.41Å; A301-N497 PolarHBondContact O-ND2 3.48Å; E388-N497 HydrophobicContact CB-CB 4.21Å; E388-N497 HydrophobicContact CG-CB 4.05Å; E388-N497 WeakPolarHBondContact CG-OD1 3.42Å; E388-N497 PolarHBondContact O-ND2 3Å; E388-N497 PolarHBondContact OE1-N 2.99Å
498F87.9Confident61.2Low46 Ų46107.9 Ų107.920%0.20257%0.569CS.*EExtended strand (participates in β ladder)trans-137.8146.8179.257.7-89000111.3L298 K299 L391 L433 V495 N496L298-F498 HydrophobicContact CD2-CD2 4.34Å; K299-F498 CarbonylContact O-C 3.58Å; K299-F498 VanDerWaalsContact O-CA 3.25Å; K299-F498 WeakPolarHBondContact O-CA 3.32Å; L391-F498 HydrophobicContact CD2-CD1 4.46Å; L433-F498 HydrophobicContact CD1-CD1 4.11Å; L433-F498 HydrophobicContact CD1-CE1 4.28Å; L433-F498 HydrophobicContact CD1-CG 4.34Å; L433-F498 HydrophobicContact CD2-CD1 4.21Å; L433-F498 HydrophobicContact CD2-CD2 3.74Å; L433-F498 HydrophobicContact CD2-CE1 3.86Å; L433-F498 HydrophobicContact CD2-CE2 3.33Å; L433-F498 HydrophobicContact CD2-CG 4.18Å; L433-F498 HydrophobicContact CD2-CZ 3.43Å; L433-F498 VanDerWaalsContact CD2-CZ 3.43Å; V495-F498 WeakPolarHBondContact O-CE1 3.37Å; N496-F498 PolarHBondContact O-N 3.45Å
499E86.7Confident60.8Low150 Ų150104.7 Ų104.770%0.70157%0.568SS**EExtended strand (participates in β ladder)trans-126.1135.2175.5-68.9178.3-176.500110L298 K299L298-E499 CarbonylContact C-O 3.56Å; L298-E499 WeakPolarHBondContact CA-O 3.47Å; K299-E499 PolarHBondContact N-O 3.21Å; K299-E499 PolarHBondContact O-N 2.74Å
500L80.5Confident60.4Low86 Ų86105 Ų10545%0.4557%0.57SS.*EExtended strand (participates in β ladder)trans-82.9120175.8-167.4127.1000109.1K296 L298 E502K296-L500 HydrophobicContact CB-CD1 4.27Å; K296-L500 HydrophobicContact CB-CG 4.49Å; K296-L500 HydrophobicContact CD-CD1 3.86Å; K296-L500 HydrophobicContact CD-CD2 3.94Å; K296-L500 HydrophobicContact CD-CG 4.31Å; L298-L500 HydrophobicContact CD2-CB 4.14Å; L298-L500 HydrophobicContact CD2-CD1 3.85Å; L298-L500 HydrophobicContact CD2-CG 4.29Å; L500-E502 HydrophobicContact CD2-CG 4.3Å
501V81.4Confident59.5Low48 Ų48111.9 Ų111.929%0.29159%0.585SS.*EExtended strand (participates in β ladder)trans-94.7116.5175.6-175.70000107.9V297 K299 I503V297-V501 PolarHBondContact O-N 2.66Å; K299-V501 HydrophobicContact CB-CG2 4.42Å; K299-V501 HydrophobicContact CD-CG2 3.73Å; K299-V501 HydrophobicContact CG-CG2 3.79Å; V501-I503 PolarHBondContact O-N 3.31Å
502E63.1Low58.5Low153 Ų153114.3 Ų114.372%0.71559%0.592SS**  trans-72113.8164-69.6-169.4158.400107.6L500 D504L500-E502 HydrophobicContact CD2-CG 4.3Å; E502-D504 PolarHBondContact O-N 2.76Å
503I56.4Low57.3Low106 Ų106117.1 Ų117.154%0.54462%0.619SS.*  trans-81.8112.6171.5-61.3175000106V297 V501 S505V297-I503 HydrophobicContact CB-CD1 4.19Å; V297-I503 HydrophobicContact CG2-CD1 3.56Å; V501-I503 PolarHBondContact O-N 3.31Å; I503-S505 PolarHBondContact O-N 3.08Å; I503-S505 VanDerWaalsContact O-N 3.16Å
504D46.1Very low55.6Low148 Ų148113 Ų11379%0.79162%0.622SS**  trans-55.2120.1168.3-77.7-35.5000108.6E502 V506E502-D504 PolarHBondContact O-N 2.76Å; D504-V506 PolarHBondContact O-N 2.95Å
505S39.6Very low53.2Low114 Ų114110.4 Ų110.480%0.79763%0.627SS**SBendtrans-6596.3-170.855.30000111.8I503I503-S505 PolarHBondContact O-N 3.08Å; I503-S505 VanDerWaalsContact O-N 3.16Å
506V37.7Very low50.8Low124 Ų124119.2 Ų119.275%0.75267%0.673SS**SBendtrans-134.7-30.2158.3-171.40000114.4D504D504-V506 PolarHBondContact O-N 2.95Å
507D37.2Very low48.2Very low155 Ų155120.1 Ų120.183%0.82968%0.683SS**SBendtrans-126.636.3-170.4-68.9-38.7000116.2
508A32.5Very low45.2Very low101 Ų101122.7 Ų122.784%0.83571%0.713SS**  trans-10415.4177.600000115.1
509A30Very low42.4Very low87 Ų87126.9 Ų126.972%0.71974%0.742SS**  trans-99.290.8169.100000108.6
510D30.6Very low39.7Very low155 Ų155125.7 Ų125.783%0.82975%0.747SS**SBendtrans156.761.7151.8-80.8-15.1000111.5
511R31.1Very low37.2Very low247 Ų247130.6 Ų130.693%0.93277%0.768SS**  trans-147.476.6154.1-70.8-164.1-179.6156.42.7109.5A513R511-A513 PolarHBondContact O-N 3.23Å; R511-A513 VanDerWaalsContact O-N 3.13Å
512E28.8Very low34.5Very low202 Ų202139.5 Ų139.594%0.94480%0.796SS**  trans-62.9109.3164.3-75.4-172.8155.800109G514E512-G514 PolarHBondContact O-N 3.08Å
513A30.9Very low32.9Very low99 Ų99140.2 Ų140.282%0.81880%0.804SS**  trans-69.8113.8165.400000108.1R511R511-A513 PolarHBondContact O-N 3.23Å; R511-A513 VanDerWaalsContact O-N 3.13Å
514G30.1Very low31.4Very low60 Ų60147.3 Ų147.362%0.61982%0.824SS**  trans-57.8142.4177.400000111.9E512 L516E512-G514 PolarHBondContact O-N 3.08Å; G514-L516 PolarHBondContact O-N 3.39Å
515P29.2Very low30.6Very low114 Ų114149.1 Ų149.174%0.7483%0.827SS**  trans-65.9124.5-176.224.9-31.8000110.9T517P515-T517 VanDerWaalsContact C-N 3.31Å; P515-T517 PolarHBondContact O-N 3.47Å
516L29.3Very low30Very low185 Ų185147.3 Ų147.397%0.96983%0.827SS**  trans-66.793.9165.3-77.3163.6000108.4G514G514-L516 PolarHBondContact O-N 3.39Å
517T32.2Very low29.5Very low128 Ų128149.7 Ų149.779%0.78583%0.834SS**  trans-72.2122.9172.949.70000110.7P515P515-T517 VanDerWaalsContact C-N 3.31Å; P515-T517 PolarHBondContact O-N 3.47Å
518G27.4Very low28.8Very low69 Ų69147.9 Ų147.971%0.71183%0.834SS**  trans7898.5142.700000117.4
519V29.7Very low28.5Very low134 Ų134148.2 Ų148.281%0.81283%0.829SS**  trans-56125.6158.5178.80000109.1Q521V519-Q521 PolarHBondContact O-N 2.87Å
520P30.2Very low28.2Very low124 Ų124153.4 Ų153.481%0.80584%0.838SS**  trans-69.8100.1178.4-15.329.1000110.7R522P520-R522 PolarHBondContact O-N 3.09Å
521Q27.5Very low28Very low189 Ų189153.4 Ų153.488%0.88384%0.835SS**  trans-88.478.1171.2-157.4179.934.100108.9V519V519-Q521 PolarHBondContact O-N 2.87Å
522R25.7Very low27.9Very low236 Ų236147.7 Ų147.789%0.89183%0.828SS**  trans-165.6106.9166.5-108.5173.4-149.8-160.65.8111.9P520P520-R522 PolarHBondContact O-N 3.09Å
523L29.7Very low28.2Very low168 Ų168144.3 Ų144.388%0.8882%0.82SS**  trans177.583132.8-92.9159.8000107.7
524R24.9Very low28.4Very low255 Ų255143.7 Ų143.796%0.96280%0.803SS**  trans-115.176.4163.1-84.4-168.8-178.6-179.31.6108.2
525E29Very low28.9Very low185 Ų185142.7 Ų142.786%0.86479%0.792SS**  trans-152.9132.4164-66.1-175.2176.100104.9
526G26.2Very low30Very low76 Ų76145 Ų14578%0.78479%0.793SS**  cis177.4112.4-2.300000104
527L28.2Very low30.9Very low174 Ų174144 Ų14491%0.91178%0.784SS**  trans-130.792.2167-90.2163.2000106.2C529L527-C529 VanDerWaalsContact C-N 3.31Å; L527-C529 PolarHBondContact O-N 3.45Å
528S22.1Very low31.8Very low117 Ų117143.1 Ų143.182%0.81877%0.771SS**  trans-72.988.7171.666.70000108.7
529C25.5Very low33Very low109 Ų109141.4 Ų141.474%0.73675%0.748SS**  trans-86.7125.8153.4-90.40000107.3L527 M531L527-C529 VanDerWaalsContact C-N 3.31Å; L527-C529 PolarHBondContact O-N 3.45Å; C529-M531 VanDerWaalsContact C-N 3.25Å; C529-M531 PolarHBondContact O-N 3.11Å
530H24.1Very low34.2Very low196 Ų196137.7 Ų137.791%0.90772%0.722SS**  trans-61.193.7164.9-78.9-1.2000108.3
531M26.7Very low35.9Very low154 Ų154135.5 Ų135.576%0.75970%0.704SS**  trans-104.9113171.4-141.8168.541.800105.9C529 V533C529-M531 VanDerWaalsContact C-N 3.25Å; C529-M531 PolarHBondContact O-N 3.11Å; M531-V533 PolarHBondContact O-N 3.11Å
532T28.2Very low37.7Very low128 Ų128129.2 Ų129.279%0.78568%0.678SS**  trans-62.6107.7170.1-42.10000106.9L534T532-L534 PolarHBondContact O-N 3.15Å; T532-L534 VanDerWaalsContact O-N 3.08Å
533V34.4Very low39.6Very low130 Ų130120 Ų12079%0.78864%0.644SS**  trans-73.1100.4174.7-178.80000106.5M531M531-V533 PolarHBondContact O-N 3.11Å
534L36.1Very low41.3Very low87 Ų87116 Ų11646%0.45562%0.62SS.*  trans-67.1142.1164.2-64.9173000107.8T532 E538 V542T532-L534 PolarHBondContact O-N 3.15Å; T532-L534 VanDerWaalsContact O-N 3.08Å; L534-E538 HydrophobicContact CB-CB 3.99Å; L534-E538 VanDerWaalsContact CD2-OE2 3.27Å; L534-E538 WeakPolarHBondContact CD2-OE2 3.35Å; L534-V542 HydrophobicContact CD1-CG2 4.36Å
535G39.9Very low43.2Very low38 Ų38112.3 Ų112.339%0.39261%0.606SS.*  trans-59.3158.1175.200000111.5E537 E538 C539G535-E537 PolarHBondContact O-N 2.86Å; G535-E538 PolarHBondContact N-OE2 3.34Å; G535-E538 PolarHBondContact O-N 2.96Å; G535-C539 PolarHBondContact O-N 3.46Å
536E52.3Low45.2Very low162 Ų162105.7 Ų105.776%0.75758%0.576SS**Hα-helixtrans-55-39.8-179.7-72.8-177.7162.900112.6C539 M540E536-C539 PolarHBondContact O-N 3.47Å; E536-M540 WeakPolarHBondContact O-CB 3.31Å; E536-M540 WeakPolarHBondContact O-CG 3.42Å; E536-M540 PolarHBondContact O-N 3.23Å
537E49.3Very low47.4Very low166 Ų166102.1 Ų102.178%0.77654%0.54SS*.Hα-helixtrans-62.5-46.3174.8-68.6-172.7161.100112.3G535 C539 M540 D541G535-E537 PolarHBondContact O-N 2.86Å; E537-C539 VanDerWaalsContact C-N 3.31Å; E537-C539 PolarHBondContact O-N 3.49Å; E537-M540 PolarHBondContact O-N 3.04Å; E537-D541 PolarHBondContact O-N 2.62Å
538E51.6Low49.7Very low109 Ų10996.5 Ų96.551%0.50951%0.509SS..Hα-helixtrans-63.3-38.2176.3-70.6-177.5150.100111.5L534 G535 D541 V542L534-E538 HydrophobicContact CB-CB 3.99Å; L534-E538 VanDerWaalsContact CD2-OE2 3.27Å; L534-E538 WeakPolarHBondContact CD2-OE2 3.35Å; G535-E538 PolarHBondContact N-OE2 3.34Å; G535-E538 PolarHBondContact O-N 2.96Å; E538-D541 PolarHBondContact O-N 3.32Å; E538-V542 VanDerWaalsContact O-CG2 3.28Å; E538-V542 WeakPolarHBondContact O-CG2 3.42Å; E538-V542 PolarHBondContact O-N 3.33Å
539C51.7Low52.5Low33 Ų3393.9 Ų93.922%0.22348%0.483CS..Hα-helixtrans-65.3-43.1176.7-165.70000111.6L77 G535 E536 E537 V542 K543L77-C539 HydrophobicContact CD1-CB 4.39Å; G535-C539 PolarHBondContact O-N 3.46Å; E536-C539 PolarHBondContact O-N 3.47Å; E537-C539 VanDerWaalsContact C-N 3.31Å; E537-C539 PolarHBondContact O-N 3.49Å; C539-V542 PolarHBondContact O-N 3.47Å; C539-K543 WeakPolarHBondContact O-CG 3.45Å; C539-K543 PolarHBondContact O-N 3.42Å
540M54.2Low55.1Low56 Ų5688.7 Ų88.728%0.27645%0.448SS..Hα-helixtrans-62.7-41.4174.8-76.8-64.4-73.200111.9A71 L77 E536 E537 K543 K544A71-M540 HydrophobicContact CB-CE 4.16Å; L77-M540 HydrophobicContact CD2-CG 4.4Å; L77-M540 HydrophobicContact CD2-SD 3.77Å; E536-M540 WeakPolarHBondContact O-CB 3.31Å; E536-M540 WeakPolarHBondContact O-CG 3.42Å; E536-M540 PolarHBondContact O-N 3.23Å; E537-M540 PolarHBondContact O-N 3.04Å; M540-K543 PolarHBondContact O-N 3.35Å; M540-K544 WeakPolarHBondContact O-CG 3.38Å; M540-K544 PolarHBondContact O-N 3.33Å
541D66.7Low57.7Low78 Ų7886.1 Ų86.142%0.41743%0.431SS..Hα-helixtrans-66-39.1176.1-81.5-12.7000112.5E537 E538 K543 K544 R545E537-D541 PolarHBondContact O-N 2.62Å; E538-D541 PolarHBondContact O-N 3.32Å; D541-K543 VanDerWaalsContact C-N 3.33Å; D541-K544 PolarHBondContact O-N 3.49Å; D541-K544 IonicContact OD1-NZ 2.68Å; D541-R545 VanDerWaalsContact O-CG 3.29Å; D541-R545 WeakPolarHBondContact O-CG 3.37Å; D541-R545 PolarHBondContact O-N 3.16Å
542V66.2Low60.2Low57 Ų5779 Ų7935%0.34540%0.396SS..Hα-helixtrans-60.9-43.2171.4171.60000110.6L534 E538 C539 R545 D546L534-V542 HydrophobicContact CD1-CG2 4.36Å; E538-V542 VanDerWaalsContact O-CG2 3.28Å; E538-V542 WeakPolarHBondContact O-CG2 3.42Å; E538-V542 PolarHBondContact O-N 3.33Å; C539-V542 PolarHBondContact O-N 3.47Å; V542-R545 CarbonylContact O-C 3.46Å; V542-R545 WeakPolarHBondContact O-CB 3.42Å; V542-R545 PolarHBondContact O-N 3.46Å; V542-D546 PolarHBondContact O-N 3.42Å
543K64.8Low62.4Low42 Ų4275.2 Ų75.218%0.18337%0.373CS..Hα-helixtrans-70.8-33.2179.3-70.9-65.5-174.9-177.90113.9L77 C539 M540 D541 R545 D546 A547L77-K543 VanDerWaalsContact O-CE 3.27Å; L77-K543 WeakPolarHBondContact O-CE 3.25Å; C539-K543 WeakPolarHBondContact O-CG 3.45Å; C539-K543 PolarHBondContact O-N 3.42Å; M540-K543 PolarHBondContact O-N 3.35Å; D541-K543 VanDerWaalsContact C-N 3.33Å; K543-R545 VanDerWaalsContact C-N 3.34Å; K543-D546 PolarHBondContact O-N 2.84Å; K543-A547 VanDerWaalsContact O-CB 3.25Å; K543-A547 WeakPolarHBondContact O-CB 3.5Å; K543-A547 PolarHBondContact O-N 3.44Å
544K65Low64.4Low84 Ų8469.4 Ų69.437%0.36534%0.339SS..Hα-helixtrans-62.3-43.5168.4-74.3174.2-174166.90110.6A71 M540 D541 A547 M548A71-K544 HydrophobicContact CB-CG 4.29Å; M540-K544 WeakPolarHBondContact O-CG 3.38Å; M540-K544 PolarHBondContact O-N 3.33Å; D541-K544 PolarHBondContact O-N 3.49Å; D541-K544 IonicContact OD1-NZ 2.68Å; K544-A547 PolarHBondContact O-N 2.9Å; K544-M548 WeakPolarHBondContact O-CG 3.31Å; K544-M548 PolarHBondContact O-N 3.45Å
545R65.9Low66.1Low178 Ų17870.1 Ų70.167%0.67234%0.343SS*.Hα-helixtrans-64.5-42.3175.1-71173.4-175.8174.65.1112.3D541 V542 K543 A547 M548D541-R545 VanDerWaalsContact O-CG 3.29Å; D541-R545 WeakPolarHBondContact O-CG 3.37Å; D541-R545 PolarHBondContact O-N 3.16Å; V542-R545 CarbonylContact O-C 3.46Å; V542-R545 WeakPolarHBondContact O-CB 3.42Å; V542-R545 PolarHBondContact O-N 3.46Å; K543-R545 VanDerWaalsContact C-N 3.34Å; R545-A547 VanDerWaalsContact C-N 3.33Å; R545-M548 WeakPolarHBondContact O-CB 3.41Å; R545-M548 PolarHBondContact O-N 3.4Å; R545-M548 VanDerWaalsContact O-N 3.17Å
546D70.5Confident67.6Low45 Ų4571.8 Ų71.824%0.24135%0.353CS..Hα-helixtrans-62.7-41.5174.9-76.6-9.1000111V542 K543 M548 K549V542-D546 PolarHBondContact O-N 3.42Å; K543-D546 PolarHBondContact O-N 2.84Å; D546-M548 PolarHBondContact O-N 3.45Å; D546-K549 PolarHBondContact O-N 3.12Å
547A71.7Confident69Low2 Ų265.7 Ų65.72%0.01732%0.324CS..Hα-helixtrans-64.4-19.2176.900000112.9R16 A67 K543 K544 R545R16-A547 PolarHBondContact NH1-O 2.96Å; A67-A547 HydrophobicContact CB-CB 4.47Å; A67-A547 WeakPolarHBondContact CB-O 3.37Å; A67-A547 WeakPolarHBondContact O-CB 3.27Å; K543-A547 VanDerWaalsContact O-CB 3.25Å; K543-A547 WeakPolarHBondContact O-CB 3.5Å; K543-A547 PolarHBondContact O-N 3.44Å; K544-A547 PolarHBondContact O-N 2.9Å; R545-A547 VanDerWaalsContact C-N 3.33Å
548M77Confident70.6Confident55 Ų5559.2 Ų59.227%0.27130%0.295SS..Hα-helixtrans-80.6-17.2173.9-68.8-71.5-178.200113.5R16 L64 A67 E68 K544 R545 D546R16-M548 PolarHBondContact NH1-O 3.18Å; R16-M548 VanDerWaalsContact NH1-O 3.13Å; L64-M548 HydrophobicContact CD2-SD 3.74Å; A67-M548 HydrophobicContact CB-CE 4.1Å; A67-M548 HydrophobicContact CB-CG 4.33Å; A67-M548 HydrophobicContact CB-SD 3.57Å; A67-M548 VanDerWaalsContact CB-SD 3.57Å; E68-M548 HydrophobicContact CG-CE 3.59Å; K544-M548 WeakPolarHBondContact O-CG 3.31Å; K544-M548 PolarHBondContact O-N 3.45Å; R545-M548 WeakPolarHBondContact O-CB 3.41Å; R545-M548 PolarHBondContact O-N 3.4Å; R545-M548 VanDerWaalsContact O-N 3.17Å; D546-M548 PolarHBondContact O-N 3.45Å
549K81.1Confident72.1Confident62 Ų6257.6 Ų57.627%0.2730%0.296SS..EExtended strand (participates in β ladder)trans-99.9146.6179.4-62-178.5177.8178.90112.8E13 R16 D546E13-K549 WeakPolarHBondContact OE2-CD 3.48Å; E13-K549 IonicContact OE2-NZ 3.76Å; E13-K549 PolarHBondContact OE2-NZ 2.77Å; R16-K549 VanDerWaalsContact NH1-C 3.26Å; R16-K549 PolarHBondContact NH1-O 3.12Å; R16-K549 PolarHBondContact NH2-O 2.95Å; D546-K549 PolarHBondContact O-N 3.12Å
550S79Confident73.7Confident1 Ų159.3 Ų59.31%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-85.6132.2167.4-50.30000109.9E13 V14 R16 D92E13-S550 VanDerWaalsContact CA-O 3.26Å; E13-S550 WeakPolarHBondContact CA-O 3.42Å; V14-S550 PolarHBondContact N-O 3.39Å; V14-S550 VanDerWaalsContact N-O 3.08Å; V14-S550 PolarHBondContact O-N 2.79Å; R16-S550 WeakPolarHBondContact CG-OG 3.27Å; D92-S550 VanDerWaalsContact CG-CB 3.43Å; D92-S550 WeakPolarHBondContact OD1-CB 3.25Å; D92-S550 PolarHBondContact OD1-OG 3.4Å; D92-S550 WeakPolarHBondContact OD2-CA 3.47Å; D92-S550 WeakPolarHBondContact OD2-CB 3.4Å; D92-S550 PolarHBondContact OD2-OG 3Å
551R78.7Confident75.3Confident142 Ų14256.7 Ų56.754%0.53629%0.29SS..EExtended strand (participates in β ladder)trans-109.7117.5167.4-80.1-177.2179.71708109.2E13E13-R551 HydrophobicContact CG-CG 3.53Å; E13-R551 IonicContact OE1-CZ 2.72Å; E13-R551 IonicContact OE1-NE 2.86Å; E13-R551 PolarHBondContact OE1-NE 3.24Å; E13-R551 IonicContact OE1-NH2 2.74Å; E13-R551 PolarHBondContact OE1-NH2 3.43Å
552L79.9Confident76.3Confident5 Ų554.8 Ų54.83%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-130.4141.6-172.3-70.5152.9000110.7Y11 F12 D92 K93 L96 A554Y11-L552 CarbonylContact C-O 3.6Å; Y11-L552 VanDerWaalsContact CA-O 3.25Å; Y11-L552 WeakPolarHBondContact CA-O 3.48Å; F12-L552 HydrophobicContact CD1-CB 4.32Å; F12-L552 WeakPolarHBondContact CD1-O 3.49Å; F12-L552 HydrophobicContact CE1-CB 3.69Å; F12-L552 HydrophobicContact CE2-CB 4.01Å; F12-L552 HydrophobicContact CE2-CD1 3.98Å; F12-L552 HydrophobicContact CZ-CB 3.52Å; F12-L552 HydrophobicContact CZ-CD1 3.92Å; F12-L552 HydrophobicContact CZ-CG 4.35Å; F12-L552 PolarHBondContact N-O 3.15Å; F12-L552 PolarHBondContact O-N 2.77Å; D92-L552 HydrophobicContact CB-CD1 4.34Å; D92-L552 HydrophobicContact CB-CD2 3.95Å; D92-L552 HydrophobicContact CB-CG 4.37Å; K93-L552 HydrophobicContact CG-CD2 4.26Å; L96-L552 HydrophobicContact CB-CD1 4.23Å; L96-L552 HydrophobicContact CB-CD2 4.45Å; L96-L552 HydrophobicContact CD1-CD1 4.44Å; L96-L552 HydrophobicContact CD2-CB 3.87Å; L96-L552 HydrophobicContact CD2-CD1 3.88Å; L96-L552 HydrophobicContact CD2-CD2 3.81Å; L96-L552 HydrophobicContact CD2-CG 4.02Å; L96-L552 HydrophobicContact CG-CD1 4.43Å; L552-A554 PolarHBondContact O-N 3.23Å
553P75.3Confident77.4Confident47 Ų4756.3 Ų56.331%0.30529%0.285SS..EExtended strand (participates in β ladder)trans-68.8130.4178.427.9-32.7000110.2Y11 F557Y11-P553 HydrophobicContact CD1-CB 4.43Å; Y11-P553 HydrophobicContact CE1-CB 4.25Å; P553-F557 WeakPolarHBondContact O-CD2 3.36Å; P553-F557 WeakPolarHBondContact O-CE2 3.39Å
554A75Confident78.6Confident9 Ų956.5 Ų56.57%0.07429%0.287CS..SBendtrans-79.3-30177.700000111.9H10 F12 L552 A556 F557 L562H10-A554 HydrophobicContact CB-CB 3.91Å; H10-A554 WeakPolarHBondContact O-CB 3.39Å; H10-A554 PolarHBondContact O-N 2.79Å; F12-A554 HydrophobicContact CD1-CB 4.22Å; L552-A554 PolarHBondContact O-N 3.23Å; A554-A556 PolarHBondContact O-N 3.18Å; A554-A556 VanDerWaalsContact O-N 3.09Å; A554-F557 PolarHBondContact O-N 3.48Å; A554-F557 VanDerWaalsContact O-N 3.09Å; A554-L562 HydrophobicContact CB-CD1 4.02Å; A554-L562 HydrophobicContact CB-CD2 4.12Å
555D72.8Confident79.8Confident102 Ų10252.5 Ų52.555%0.54527%0.269SS..THydrogen-bonded Turntrans-65.7-17.2-171.3-57.2-39.1000114.2H10 F557H10-D555 IonicContact CD2-OD1 3.71Å; H10-D555 PolarHBondContact N-OD2 3.3Å; D555-F557 VanDerWaalsContact C-N 3.31Å
556A71.8Confident80.9Confident73 Ų7345.7 Ų45.760%0.60325%0.249SC*.THydrogen-bonded Turntrans-81.1-9.4178.300000113.6A554A554-A556 PolarHBondContact O-N 3.18Å; A554-A556 VanDerWaalsContact O-N 3.09Å
557F80.9Confident81.8Confident33 Ų3349 Ų4915%0.14527%0.266CS..SBendtrans-119.6155-173.2-56.5-82.1000111.9L96 Y100 P553 A554 D555 F561 L562L96-F557 HydrophobicContact CD1-CZ 4.46Å; L96-F557 HydrophobicContact CD2-CD2 4.25Å; L96-F557 HydrophobicContact CD2-CE1 4.1Å; L96-F557 HydrophobicContact CD2-CE2 3.24Å; L96-F557 HydrophobicContact CD2-CZ 3.15Å; L96-F557 HydrophobicContact CG-CE1 4.03Å; L96-F557 HydrophobicContact CG-CE2 4.06Å; L96-F557 HydrophobicContact CG-CZ 3.54Å; Y100-F557 HydrophobicContact CD1-CD1 4.4Å; Y100-F557 HydrophobicContact CD1-CE1 4.35Å; Y100-F557 AromaticContact CD2-CD1 3.81Å; Y100-F557 HydrophobicContact CD2-CD1 3.81Å; Y100-F557 HydrophobicContact CD2-CE1 4.37Å; Y100-F557 HydrophobicContact CE2-CD1 4.13Å; Y100-F557 AromaticContact CG-CD1 3.94Å; Y100-F557 HydrophobicContact CG-CD1 3.94Å; Y100-F557 HydrophobicContact CG-CE1 4.04Å; P553-F557 WeakPolarHBondContact O-CD2 3.36Å; P553-F557 WeakPolarHBondContact O-CE2 3.39Å; A554-F557 PolarHBondContact O-N 3.48Å; A554-F557 VanDerWaalsContact O-N 3.09Å; D555-F557 VanDerWaalsContact C-N 3.31Å; F557-F561 HydrophobicContact CB-CD1 3.7Å; F557-F561 HydrophobicContact CB-CE1 4.41Å; F557-F561 AromaticContact CD1-CD1 3.75Å; F557-F561 HydrophobicContact CD1-CD1 3.75Å; F557-F561 AromaticContact CD1-CE1 3.76Å; F557-F561 HydrophobicContact CD1-CE1 3.76Å; F557-F561 HydrophobicContact CE1-CE1 4.26Å; F557-F561 AromaticContact CG-CD1 3.79Å; F557-F561 HydrophobicContact CG-CD1 3.79Å; F557-F561 HydrophobicContact CG-CE1 4.01Å; F557-L562 HydrophobicContact CB-CD2 4.35Å; F557-L562 HydrophobicContact CB-CG 4.44Å
558D82.4Confident82.7Confident30 Ų3050.1 Ų50.116%0.1627%0.272CS..  trans-76.8157.5176.465.281.3000112.5Y100 R112 D560 F561 L562Y100-D558 PolarHBondContact OH-OD2 3.45Å; R112-D558 IonicContact CZ-OD1 2.7Å; R112-D558 IonicContact CZ-OD2 2.87Å; R112-D558 IonicContact NH1-OD1 3.46Å; R112-D558 IonicContact NH1-OD2 2.99Å; R112-D558 PolarHBondContact NH1-OD2 3.19Å; R112-D558 IonicContact NH2-OD1 3.95Å; R112-D558 PolarHBondContact NH2-OD1 3.39Å; R112-D558 IonicContact NH2-OD2 3.86Å; R112-D558 PolarHBondContact NH2-OD2 3.05Å; D558-D560 VanDerWaalsContact C-N 3.25Å; D558-D560 PolarHBondContact O-N 3.42Å; D558-D560 WeakPolarHBondContact OD1-CB 3.21Å; D558-D560 PolarHBondContact OD1-N 2.87Å; D558-F561 PolarHBondContact O-N 3.47Å; D558-F561 PolarHBondContact OD1-N 3.12Å; D558-F561 VanDerWaalsContact OD1-N 3.08Å; D558-L562 PolarHBondContact O-N 3.29Å
559S83.8Confident83.3Confident76 Ų7654 Ų5453%0.53129%0.294SS..Hα-helixtrans-57.9-37.5-178.552.10000112.6F561 L562 D563S559-F561 VanDerWaalsContact C-N 3.28Å; S559-F561 PolarHBondContact O-N 3.05Å; S559-L562 PolarHBondContact O-N 3.45Å; S559-D563 WeakPolarHBondContact O-CB 3.29Å; S559-D563 VanDerWaalsContact O-CG 3.26Å; S559-D563 PolarHBondContact O-N 3.06Å
560D85.3Confident83.8Confident69 Ų6954.1 Ų54.137%0.36930%0.297SS..Hα-helixtrans-62.8-39.9-178.7-52.5-19.9000110.3H109 R112 D558 F564H109-D560 IonicContact CE1-OD2 2.91Å; R112-D560 IonicContact CZ-OD2 2.71Å; R112-D560 IonicContact NH2-OD2 2.9Å; R112-D560 PolarHBondContact NH2-OD2 3.2Å; D558-D560 VanDerWaalsContact C-N 3.25Å; D558-D560 PolarHBondContact O-N 3.42Å; D558-D560 WeakPolarHBondContact OD1-CB 3.21Å; D558-D560 PolarHBondContact OD1-N 2.87Å; D560-F564 WeakPolarHBondContact O-CB 3.35Å; D560-F564 PolarHBondContact O-N 3.46Å
561F88.4Confident84.2Confident0 Ų054 Ų540%030%0.296CS..Hα-helixtrans-67.7-42.9175.6-178.8-115.3000112.7L96 V99 Y100 H103 F557 D558 S559 D563 F564 L565L96-F561 HydrophobicContact CD1-CE1 3.82Å; L96-F561 HydrophobicContact CD1-CZ 3.91Å; V99-F561 HydrophobicContact CG1-CE2 4Å; V99-F561 HydrophobicContact CG1-CZ 4Å; Y100-F561 HydrophobicContact CD2-CB 4.11Å; Y100-F561 AromaticContact CD2-CD1 3.8Å; Y100-F561 HydrophobicContact CD2-CD1 3.8Å; Y100-F561 AromaticContact CD2-CD2 3.79Å; Y100-F561 HydrophobicContact CD2-CD2 3.79Å; Y100-F561 HydrophobicContact CD2-CE1 4.05Å; Y100-F561 HydrophobicContact CD2-CE2 4.08Å; Y100-F561 AromaticContact CD2-CG 3.62Å; Y100-F561 HydrophobicContact CD2-CG 3.62Å; Y100-F561 HydrophobicContact CD2-CZ 4.18Å; Y100-F561 HydrophobicContact CE2-CB 4.13Å; Y100-F561 HydrophobicContact CE2-CD1 4.45Å; Y100-F561 HydrophobicContact CE2-CG 4.15Å; H103-F561 HydrophobicContact CB-CD2 4.09Å; H103-F561 HydrophobicContact CB-CE2 4.07Å; H103-F561 AromaticContact CD2-CD2 3.7Å; H103-F561 AromaticContact CG-CD2 3.88Å; F557-F561 HydrophobicContact CB-CD1 3.7Å; F557-F561 HydrophobicContact CB-CE1 4.41Å; F557-F561 AromaticContact CD1-CD1 3.75Å; F557-F561 HydrophobicContact CD1-CD1 3.75Å; F557-F561 AromaticContact CD1-CE1 3.76Å; F557-F561 HydrophobicContact CD1-CE1 3.76Å; F557-F561 HydrophobicContact CE1-CE1 4.26Å; F557-F561 AromaticContact CG-CD1 3.79Å; F557-F561 HydrophobicContact CG-CD1 3.79Å; F557-F561 HydrophobicContact CG-CE1 4.01Å; D558-F561 PolarHBondContact O-N 3.47Å; D558-F561 PolarHBondContact OD1-N 3.12Å; D558-F561 VanDerWaalsContact OD1-N 3.08Å; S559-F561 VanDerWaalsContact C-N 3.28Å; S559-F561 PolarHBondContact O-N 3.05Å; F561-D563 VanDerWaalsContact C-N 3.33Å; F561-F564 HydrophobicContact CD2-CD1 4.05Å; F561-F564 HydrophobicContact CE2-CD1 4.13Å; F561-F564 HydrophobicContact CE2-CE1 4.43Å; F561-F564 WeakPolarHBondContact O-CB 3.28Å; F561-F564 PolarHBondContact O-N 2.99Å; F561-L565 HydrophobicContact CD1-CD1 4.08Å; F561-L565 HydrophobicContact CD1-CG 4.46Å; F561-L565 HydrophobicContact CE1-CD1 3.56Å; F561-L565 HydrophobicContact CE1-CG 4.14Å; F561-L565 HydrophobicContact CE2-CD1 4.42Å; F561-L565 HydrophobicContact CE2-CD2 4.06Å; F561-L565 HydrophobicContact CE2-CG 4.16Å; F561-L565 HydrophobicContact CZ-CD1 3.76Å; F561-L565 HydrophobicContact CZ-CD2 3.97Å; F561-L565 HydrophobicContact CZ-CG 3.98Å; F561-L565 WeakPolarHBondContact O-CG 3.49Å; F561-L565 PolarHBondContact O-N 3.45Å
562L87.8Confident84.5Confident38 Ų3853.8 Ų53.820%0.19930%0.299CS..Hα-helixtrans-65.4-37.9176.9-63.8175.9000111.8F12 A554 F557 D558 S559 L565 S566F12-L562 HydrophobicContact CD1-CD2 4.21Å; F12-L562 HydrophobicContact CE1-CD2 4.31Å; A554-L562 HydrophobicContact CB-CD1 4.02Å; A554-L562 HydrophobicContact CB-CD2 4.12Å; F557-L562 HydrophobicContact CB-CD2 4.35Å; F557-L562 HydrophobicContact CB-CG 4.44Å; D558-L562 PolarHBondContact O-N 3.29Å; S559-L562 PolarHBondContact O-N 3.45Å; L562-L565 PolarHBondContact O-N 2.95Å; L562-S566 WeakPolarHBondContact O-CB 3.3Å; L562-S566 PolarHBondContact O-N 3.45Å; L562-S566 PolarHBondContact O-OG 3.45Å
563D87.8Confident84.6Confident89 Ų8965 Ų6548%0.47634%0.341SS..Hα-helixtrans-65.2-40.8173.2-74.1-17.6000110.9S559 F561 S566 N567S559-D563 WeakPolarHBondContact O-CB 3.29Å; S559-D563 VanDerWaalsContact O-CG 3.26Å; S559-D563 PolarHBondContact O-N 3.06Å; F561-D563 VanDerWaalsContact C-N 3.33Å; D563-S566 WeakPolarHBondContact CA-OG 3.42Å; D563-S566 PolarHBondContact O-OG 2.8Å; D563-S566 VanDerWaalsContact O-OG 3.09Å; D563-N567 WeakPolarHBondContact O-CB 3.43Å; D563-N567 PolarHBondContact O-N 3.17Å; D563-N567 PolarHBondContact O-ND2 3.27Å
564F90.3Very high85.1Confident47 Ų4763.9 Ų63.921%0.20634%0.335CS..Hα-helixtrans-59.4-49.3172.8163.3-103.7000111.6L22 L26 H103 D560 F561 N568L22-F564 HydrophobicContact CD1-CZ 3.97Å; L22-F564 HydrophobicContact CD2-CE1 4.03Å; L22-F564 HydrophobicContact CD2-CZ 4.27Å; L26-F564 HydrophobicContact CD1-CE1 4.29Å; L26-F564 HydrophobicContact CD1-CZ 4.14Å; L26-F564 HydrophobicContact CD2-CZ 4.03Å; L26-F564 HydrophobicContact CG-CZ 4.47Å; H103-F564 HydrophobicContact CB-CE1 4.32Å; H103-F564 AromaticContact CE1-CD1 3.81Å; H103-F564 AromaticContact CE1-CD2 3.7Å; H103-F564 AromaticContact CE1-CG 3.4Å; H103-F564 WeakPolarHBondContact CE1-CG 3.38Å; H103-F564 AromaticContact CG-CD1 3.96Å; H103-F564 AromaticContact ND1-CD1 3.41Å; H103-F564 WeakPolarHBondContact ND1-CD1 3.42Å; H103-F564 AromaticContact ND1-CD2 3.64Å; H103-F564 AromaticContact ND1-CE1 3.62Å; H103-F564 AromaticContact ND1-CE2 3.84Å; H103-F564 AromaticContact ND1-CG 3.41Å; H103-F564 WeakPolarHBondContact ND1-CG 3.15Å; H103-F564 AromaticContact ND1-CZ 3.82Å; D560-F564 WeakPolarHBondContact O-CB 3.35Å; D560-F564 PolarHBondContact O-N 3.46Å; F561-F564 HydrophobicContact CD2-CD1 4.05Å; F561-F564 HydrophobicContact CE2-CD1 4.13Å; F561-F564 HydrophobicContact CE2-CE1 4.43Å; F561-F564 WeakPolarHBondContact O-CB 3.28Å; F561-F564 PolarHBondContact O-N 2.99Å; F564-N568 WeakPolarHBondContact O-CB 3.28Å; F564-N568 PolarHBondContact O-N 3.12Å; F564-N568 VanDerWaalsContact O-N 3.07Å
565L90.8Very high85.6Confident0 Ų064.9 Ų64.90%034%0.337CS..Hα-helixtrans-62.7-46.6179.9-67.4-178.8000111.8F12 M19 L22 L96 V99 F561 L562 N567 N568 L571 F575F12-L565 HydrophobicContact CE2-CD1 4.06Å; F12-L565 HydrophobicContact CZ-CD1 3.98Å; M19-L565 HydrophobicContact SD-CD2 4.43Å; L22-L565 HydrophobicContact CD2-CD2 3.85Å; L96-L565 HydrophobicContact CD1-CD1 4.49Å; V99-L565 HydrophobicContact CG1-CD2 4.23Å; F561-L565 HydrophobicContact CD1-CD1 4.08Å; F561-L565 HydrophobicContact CD1-CG 4.46Å; F561-L565 HydrophobicContact CE1-CD1 3.56Å; F561-L565 HydrophobicContact CE1-CG 4.14Å; F561-L565 HydrophobicContact CE2-CD1 4.42Å; F561-L565 HydrophobicContact CE2-CD2 4.06Å; F561-L565 HydrophobicContact CE2-CG 4.16Å; F561-L565 HydrophobicContact CZ-CD1 3.76Å; F561-L565 HydrophobicContact CZ-CD2 3.97Å; F561-L565 HydrophobicContact CZ-CG 3.98Å; F561-L565 WeakPolarHBondContact O-CG 3.49Å; F561-L565 PolarHBondContact O-N 3.45Å; L562-L565 PolarHBondContact O-N 2.95Å; L565-N567 VanDerWaalsContact C-N 3.33Å; L565-N567 PolarHBondContact O-N 3.47Å; L565-N568 PolarHBondContact O-N 3.49Å; L565-L571 HydrophobicContact CB-CD1 4.12Å; L565-L571 HydrophobicContact CD2-CD1 3.62Å; L565-L571 HydrophobicContact CG-CD1 4.43Å; L565-F575 HydrophobicContact CB-CD2 4.11Å; L565-F575 HydrophobicContact CB-CE2 3.7Å; L565-F575 HydrophobicContact CB-CZ 4.44Å; L565-F575 HydrophobicContact CD1-CE2 4.34Å
566S89.1Confident86.1Confident35 Ų3564.7 Ų64.725%0.24533%0.333CS..Hα-helixtrans-67.2-31.2-176.962.40000113.8L562 D563L562-S566 WeakPolarHBondContact O-CB 3.3Å; L562-S566 PolarHBondContact O-N 3.45Å; L562-S566 PolarHBondContact O-OG 3.45Å; D563-S566 WeakPolarHBondContact CA-OG 3.42Å; D563-S566 PolarHBondContact O-OG 2.8Å; D563-S566 VanDerWaalsContact O-OG 3.09Å
567N89.1Confident86.5Confident114 Ų11466.7 Ų66.761%0.6133%0.333SS*.Hα-helixtrans-93.7-8179.6-68.2-63.5000114.1D563 L565 D569D563-N567 WeakPolarHBondContact O-CB 3.43Å; D563-N567 PolarHBondContact O-N 3.17Å; D563-N567 PolarHBondContact O-ND2 3.27Å; L565-N567 VanDerWaalsContact C-N 3.33Å; L565-N567 PolarHBondContact O-N 3.47Å; N567-D569 PolarHBondContact O-N 3.34Å
568N90.9Very high86.3Confident26 Ų2667.4 Ų67.414%0.13934%0.337CS..  trans-68.5127.9-178.3-170-76.9000111.4L22 F564 L565 I570 L571 K572L22-N568 WeakPolarHBondContact CD1-ND2 3.29Å; F564-N568 WeakPolarHBondContact O-CB 3.28Å; F564-N568 PolarHBondContact O-N 3.12Å; F564-N568 VanDerWaalsContact O-N 3.07Å; L565-N568 PolarHBondContact O-N 3.49Å; N568-I570 PolarHBondContact O-N 3.44Å; N568-I570 VanDerWaalsContact O-N 3.14Å; N568-I570 VanDerWaalsContact OD1-CB 3.25Å; N568-I570 WeakPolarHBondContact OD1-CB 3.38Å; N568-I570 WeakPolarHBondContact OD1-CG1 3.17Å; N568-I570 PolarHBondContact OD1-N 3.42Å; N568-L571 HydrophobicContact CB-CB 4.44Å; N568-L571 HydrophobicContact CB-CG 4.39Å; N568-L571 PolarHBondContact O-N 2.88Å; N568-K572 WeakPolarHBondContact O-CB 3.43Å; N568-K572 PolarHBondContact O-N 3.48Å
569D90Very high85.6Confident135 Ų13569.4 Ų69.472%0.72235%0.351SS*.THydrogen-bonded Turntrans-59.1-29.2-176.6-71.7-40.5000114.1N567N567-D569 PolarHBondContact O-N 3.34Å
570I90.3Very high84.3Confident65 Ų6569.6 Ų69.633%0.33335%0.345SS..THydrogen-bonded Turntrans-68.7-41.5176.4-57.2175.8000110.3A18 L22 L25 N568A18-I570 HydrophobicContact CB-CG2 4.18Å; A18-I570 WeakPolarHBondContact O-CG2 3.42Å; L22-I570 HydrophobicContact CD1-CD1 4.34Å; L25-I570 HydrophobicContact CD2-CD1 3.89Å; N568-I570 PolarHBondContact O-N 3.44Å; N568-I570 VanDerWaalsContact O-N 3.14Å; N568-I570 VanDerWaalsContact OD1-CB 3.25Å; N568-I570 WeakPolarHBondContact OD1-CB 3.38Å; N568-I570 WeakPolarHBondContact OD1-CG1 3.17Å; N568-I570 PolarHBondContact OD1-N 3.42Å
571L89Confident81.9Confident0 Ų076.7 Ų76.70%037%0.367CS..THydrogen-bonded Turntrans-92.6-20.7-173.8-56.7-171.1000113.4V14 A18 M19 L22 L565 N568 R573 S574 F575V14-L571 HydrophobicContact CG2-CB 4.39Å; V14-L571 HydrophobicContact CG2-CD1 4.2Å; V14-L571 HydrophobicContact CG2-CD2 3.71Å; V14-L571 HydrophobicContact CG2-CG 4.32Å; A18-L571 HydrophobicContact CB-CD2 3.74Å; M19-L571 HydrophobicContact CG-CD2 4.3Å; M19-L571 HydrophobicContact SD-CD1 3.6Å; M19-L571 HydrophobicContact SD-CD2 3.9Å; M19-L571 HydrophobicContact SD-CG 4.41Å; L22-L571 HydrophobicContact CB-CD2 4.5Å; L22-L571 HydrophobicContact CD2-CD1 3.55Å; L22-L571 HydrophobicContact CD2-CD2 4.41Å; L22-L571 HydrophobicContact CD2-CG 3.99Å; L565-L571 HydrophobicContact CB-CD1 4.12Å; L565-L571 HydrophobicContact CD2-CD1 3.62Å; L565-L571 HydrophobicContact CG-CD1 4.43Å; N568-L571 HydrophobicContact CB-CB 4.44Å; N568-L571 HydrophobicContact CB-CG 4.39Å; N568-L571 PolarHBondContact O-N 2.88Å; L571-R573 PolarHBondContact O-N 2.94Å; L571-S574 PolarHBondContact O-N 2.88Å; L571-S574 PolarHBondContact O-OG 2.75Å; L571-F575 HydrophobicContact CB-CB 4.4Å; L571-F575 WeakPolarHBondContact O-CB 3.49Å; L571-F575 PolarHBondContact O-N 2.85Å
572K83.9Confident79.4Confident136 Ų13680.7 Ų80.759%0.59139%0.392SS*.THydrogen-bonded Turntrans-51.3-29.5-170.9-171.1173.2-175.3172.40114.6N568N568-K572 WeakPolarHBondContact O-CB 3.43Å; N568-K572 PolarHBondContact O-N 3.48Å
573R82.5Confident76.7Confident241 Ų24183.2 Ų83.291%0.90942%0.418SS*.THydrogen-bonded Turntrans-83-24.3179-66.1-176.2-179.7-1801.1114L571L571-R573 PolarHBondContact O-N 2.94Å
574S85.3Confident73.7Confident24 Ų2485.6 Ų85.617%0.16843%0.431CS..THydrogen-bonded Turntrans-111.7-19.3-175.361.60000113.8D15 L571 Q576D15-S574 PolarHBondContact N-OG 2.84Å; L571-S574 PolarHBondContact O-N 2.88Å; L571-S574 PolarHBondContact O-OG 2.75Å; S574-Q576 PolarHBondContact O-N 3.1Å
575F85.7Confident70.8Confident29 Ų2990.4 Ų90.413%0.12746%0.457CS..  trans-69.9124.6-178.5-171-87.7000111.8F12 E13 L565 L571 I577F12-F575 HydrophobicContact CB-CE2 3.8Å; F12-F575 HydrophobicContact CB-CZ 3.76Å; F12-F575 HydrophobicContact CD2-CD2 4.18Å; F12-F575 AromaticContact CD2-CE2 3.61Å; F12-F575 HydrophobicContact CD2-CE2 3.61Å; F12-F575 HydrophobicContact CD2-CZ 4.4Å; F12-F575 HydrophobicContact CE2-CE2 4.38Å; F12-F575 AromaticContact CG-CE2 3.81Å; F12-F575 HydrophobicContact CG-CE2 3.81Å; F12-F575 HydrophobicContact CG-CZ 4.15Å; E13-F575 WeakPolarHBondContact O-CA 3.25Å; L565-F575 HydrophobicContact CB-CD2 4.11Å; L565-F575 HydrophobicContact CB-CE2 3.7Å; L565-F575 HydrophobicContact CB-CZ 4.44Å; L565-F575 HydrophobicContact CD1-CE2 4.34Å; L571-F575 HydrophobicContact CB-CB 4.4Å; L571-F575 WeakPolarHBondContact O-CB 3.49Å; L571-F575 PolarHBondContact O-N 2.85Å; F575-I577 HydrophobicContact CE1-CD1 4.24Å; F575-I577 HydrophobicContact CE1-CG1 3.75Å; F575-I577 HydrophobicContact CZ-CG1 4.28Å
576Q83.5Confident67.5Low98 Ų9899.9 Ų99.946%0.45850%0.498SS..EExtended strand (participates in β ladder)trans-140.4138.3177.5-62.9-177.1-12.400110.4F12 E13 S574F12-Q576 CarbonylContact C-O 3.59Å; F12-Q576 WeakPolarHBondContact CA-O 3.35Å; E13-Q576 HydrophobicContact CB-CB 4.34Å; E13-Q576 PolarHBondContact N-O 3Å; E13-Q576 PolarHBondContact O-N 2.99Å; S574-Q576 PolarHBondContact O-N 3.1Å
577I79.7Confident64.6Low116 Ų116104.8 Ų104.860%0.59552%0.519SS*.EExtended strand (participates in β ladder)trans-94.1128.8172.6-62177.4000109F575F575-I577 HydrophobicContact CE1-CD1 4.24Å; F575-I577 HydrophobicContact CE1-CG1 3.75Å; F575-I577 HydrophobicContact CZ-CG1 4.28Å
578I75.8Confident61.4Low48 Ų48109.3 Ų109.325%0.24653%0.533CS..EExtended strand (participates in β ladder)trans-112.6130.1175.6-57.7-176.3000108.5Y11 E13Y11-I578 PolarHBondContact N-O 3.27Å; Y11-I578 PolarHBondContact O-N 2.94Å; Y11-I578 VanDerWaalsContact O-O 3.11Å; E13-I578 HydrophobicContact CB-CD1 4.42Å; E13-I578 HydrophobicContact CG-CD1 3.58Å; E13-I578 HydrophobicContact CG-CG1 4.46Å; E13-I578 WeakPolarHBondContact OE1-CD1 3.3Å
579V69.6Low58.3Low72 Ų72118.6 Ų118.644%0.43657%0.566SS.*EExtended strand (participates in β ladder)trans-105.1108.5175.7-173.70000107.9Y8 R581Y8-V579 HydrophobicContact CD1-CG1 3.56Å; Y8-V579 HydrophobicContact CE1-CG1 4.34Å; Y8-V579 HydrophobicContact CG-CG1 3.87Å; V579-R581 PolarHBondContact O-N 2.73Å
580N55.7Low55.1Low79 Ų79120.4 Ų120.442%0.42258%0.576SS.*EExtended strand (participates in β ladder)trans-79.3120.6172.2-99.9-14.2000109.2S9 Y11 T582S9-N580 PolarHBondContact O-N 3.19Å; S9-N580 VanDerWaalsContact O-N 3.15Å; Y11-N580 HydrophobicContact CD2-CB 4.41Å; Y11-N580 HydrophobicContact CE2-CB 4.29Å; N580-T582 VanDerWaalsContact C-N 3.27Å; N580-T582 PolarHBondContact O-N 2.72Å
581R35.5Very low52.1Low218 Ų218124.7 Ų124.782%0.82359%0.594SS**  trans-78.179.6167.5-59.1-160.7172.3169.6-0.8108.4Y8 V579Y8-R581 HydrophobicContact CD1-CG 4.5Å; Y8-R581 HydrophobicContact CE1-CB 4.42Å; Y8-R581 HydrophobicContact CE1-CG 3.96Å; V579-R581 PolarHBondContact O-N 2.73Å
582T35.6Very low49Very low85 Ų85130.9 Ų130.952%0.52163%0.632SS.*  trans-65.2133.9171.319.50000110.1A7 N580A7-T582 PolarHBondContact O-OG1 3Å; N580-T582 VanDerWaalsContact C-N 3.27Å; N580-T582 PolarHBondContact O-N 2.72Å
583A30.6Very low46.2Very low91 Ų91132.9 Ų132.975%0.75265%0.649SS**  trans-57.8150.9-175.800000112.8I585A583-I585 PolarHBondContact O-N 2.86Å
584D24.5Very low43.3Very low138 Ų138128.2 Ų128.274%0.73865%0.647SS**  trans-4598.8-175-77.6-47.1000114.9
585I29.6Very low40.5Very low149 Ų149130.5 Ų130.576%0.76467%0.674SS**  trans-10296.9158.4-59.5176.2000107.8A583 M587A583-I585 PolarHBondContact O-N 2.86Å; I585-M587 PolarHBondContact O-N 2.91Å
586K22.4Very low37.5Very low199 Ų199140 Ų14087%0.86571%0.711SS**  trans-67.590.5174.9-78177.3176.9169.10110.6
587M27.6Very low34.9Very low137 Ų137142.2 Ų142.268%0.67573%0.73SS**  trans-91116.2162.2-84.3-16978.400111.1I585 R589I585-M587 PolarHBondContact O-N 2.91Å; M587-R589 PolarHBondContact O-N 2.82Å
588K22.5Very low32.5Very low210 Ų210142.9 Ų142.991%0.91374%0.74SS**  trans-67.4120.7166.1-76.2179.6175.3178.40108.8
589R24.8Very low30.7Very low220 Ų220145.8 Ų145.883%0.8377%0.771SS**  trans-107.8129.8169.6-84.8-175.4174.8167.70.5110M587M587-R589 PolarHBondContact O-N 2.82Å
590D24Very low29Very low174 Ų174145.3 Ų145.393%0.9378%0.781SS**  trans-75.8137170.9-86.6-32.7000111.6
591H26.5Very low28.2Very low155 Ų155148.9 Ų148.972%0.71880%0.795SS**  trans-83147.2-178.4-68.4-75.6000111.8
592T24.4Very low28.8Very low129 Ų129142.6 Ų142.679%0.79179%0.785SS**  145.9118.4119.849.80000111.1
593L24.1Very low29.5Very low179 Ų179144.8 Ų144.894%0.93779%0.792SS**  trans-179.694.5138.3-99.2145.8000108.2
594T22.4Very low30.6Very low143 Ų143150.2 Ų150.288%0.87779%0.793SS**  trans-119.2123.216441.30000106.9
595G25.7Very low31.9Very low71 Ų71146.2 Ų146.273%0.73278%0.78SS**  trans-155.8103.9179.500000108.8
596Y23.9Very low33.2Very low229 Ų229146.5 Ų146.590%0.89877%0.771SS**  trans-68.4139.3176.2-79.7-99.1000110.8
597V28.8Very low35.2Very low144 Ų144141.5 Ų141.587%0.87375%0.753SS**  trans-130.9127.5167179.80000110.1
598T29Very low36.6Very low131 Ų131138.6 Ų138.680%0.80475%0.747SS**  trans-88.5159.4-174.843.60000113.5G600T598-G600 PolarHBondContact O-N 2.82Å
599A38Very low38.5Very low108 Ų108134 Ų13489%0.89373%0.727SS**SBendtrans-8237.4-154.300000118.4
600G34Very low40.3Very low63 Ų63127.4 Ų127.465%0.64971%0.708SS**SBendtrans-97.7-12.8-172.700000118.3T598T598-G600 PolarHBondContact O-N 2.82Å
601H37.9Very low42.4Very low154 Ų154128 Ų12871%0.71370%0.697SS**  trans-127.935.4-169.9-71.9-59.1000114.2L603 R604 A605H601-L603 PolarHBondContact O-N 3.28Å; H601-L603 VanDerWaalsContact O-N 3.15Å; H601-R604 PolarHBondContact O-N 3.47Å; H601-A605 WeakPolarHBondContact O-CB 3.24Å; H601-A605 PolarHBondContact O-N 2.84Å
602S49.3Very low44.6Very low86 Ų86126.4 Ų126.460%0.60169%0.688SS**Hα-helixtrans-52.2-41.4-164.966.10000115.7W606S602-W606 WeakPolarHBondContact O-CB 3.43Å; S602-W606 PolarHBondContact O-N 3.13Å
603L50.6Low46.2Very low131 Ų131122.5 Ų122.569%0.68666%0.664SS**Hα-helixtrans-80-41.5-175.7-159.877.9000113.4H601 W606 L607H601-L603 PolarHBondContact O-N 3.28Å; H601-L603 VanDerWaalsContact O-N 3.15Å; L603-W606 PolarHBondContact O-N 3.44Å; L603-L607 WeakPolarHBondContact O-CB 3.25Å; L603-L607 WeakPolarHBondContact O-CG 3.4Å; L603-L607 PolarHBondContact O-N 2.96Å
604R52.3Low48.1Very low205 Ų205117 Ų11777%0.77464%0.637SS**Hα-helixtrans-70.2-37.5173.8-84.8-174.5-173.3167.23111.2H601 W606 L607 S608H601-R604 PolarHBondContact O-N 3.47Å; R604-W606 VanDerWaalsContact C-N 3.35Å; R604-L607 PolarHBondContact O-N 3.18Å; R604-S608 WeakPolarHBondContact O-CB 3.22Å; R604-S608 PolarHBondContact O-N 3.27Å
605A52.9Low50.2Low54 Ų54114.2 Ų114.245%0.44662%0.621SS.*Hα-helixtrans-63.8-40.8171.500000110.8H601 S608 F609H601-A605 WeakPolarHBondContact O-CB 3.24Å; H601-A605 PolarHBondContact O-N 2.84Å; A605-S608 CarbonylContact O-C 3.57Å; A605-S608 PolarHBondContact O-N 3.18Å; A605-F609 WeakPolarHBondContact O-CA 3.32Å; A605-F609 WeakPolarHBondContact O-CB 3.23Å; A605-F609 PolarHBondContact O-N 3.44Å
606W57Low51.7Low155 Ų155116.9 Ų116.959%0.58761%0.609SS**Hα-helixtrans-64.7-43.5174.5-110.193.9000113.1S602 L603 R604 F609 L610S602-W606 WeakPolarHBondContact O-CB 3.43Å; S602-W606 PolarHBondContact O-N 3.13Å; L603-W606 PolarHBondContact O-N 3.44Å; R604-W606 VanDerWaalsContact C-N 3.35Å; W606-F609 CarbonylContact O-C 3.47Å; W606-F609 PolarHBondContact O-N 3.43Å; W606-L610 HydrophobicContact CE3-CD1 3.68Å; W606-L610 HydrophobicContact CE3-CG 3.98Å; W606-L610 HydrophobicContact CZ3-CD1 3.95Å; W606-L610 HydrophobicContact CZ3-CG 4.05Å; W606-L610 WeakPolarHBondContact O-CB 3.26Å; W606-L610 PolarHBondContact O-N 3.34Å
607L64.2Low53.1Low93 Ų93110.5 Ų110.549%0.48759%0.588SS.*Hα-helixtrans-68.1-37.3176.5-75.7166.4000111.6L603 R604 R611L603-L607 WeakPolarHBondContact O-CB 3.25Å; L603-L607 WeakPolarHBondContact O-CG 3.4Å; L603-L607 PolarHBondContact O-N 2.96Å; R604-L607 PolarHBondContact O-N 3.18Å; L607-R611 WeakPolarHBondContact O-CB 3.19Å; L607-R611 VanDerWaalsContact O-CG 3.24Å; L607-R611 WeakPolarHBondContact O-CG 3.38Å; L607-R611 PolarHBondContact O-N 2.65Å
608S56.3Low54.6Low77 Ų77110 Ų11054%0.53857%0.574SS.*Hα-helixtrans-69.7-35.4173.8-161.30000111.4R604 A605 R611 F612R604-S608 WeakPolarHBondContact O-CB 3.22Å; R604-S608 PolarHBondContact O-N 3.27Å; A605-S608 CarbonylContact O-C 3.57Å; A605-S608 PolarHBondContact O-N 3.18Å; S608-R611 CarbonylContact O-C 3.47Å; S608-R611 PolarHBondContact O-N 2.98Å; S608-F612 WeakPolarHBondContact O-CA 3.35Å; S608-F612 WeakPolarHBondContact O-CB 3.18Å; S608-F612 PolarHBondContact O-N 2.92Å
609F62.1Low56Low113 Ų113107.6 Ų107.650%0.49656%0.555SS.*Hα-helixtrans-69.8-43.3173.7-180-102.6000111.5A605 W606 F612 V613A605-F609 WeakPolarHBondContact O-CA 3.32Å; A605-F609 WeakPolarHBondContact O-CB 3.23Å; A605-F609 PolarHBondContact O-N 3.44Å; W606-F609 CarbonylContact O-C 3.47Å; W606-F609 PolarHBondContact O-N 3.43Å; F609-F612 CarbonylContact O-C 3.42Å; F609-F612 WeakPolarHBondContact O-CA 3Å; F609-F612 WeakPolarHBondContact O-CB 3.38Å; F609-F612 PolarHBondContact O-N 3.15Å; F609-F612 VanDerWaalsContact O-N 3.14Å; F609-V613 HydrophobicContact CD1-CG2 3.98Å; F609-V613 HydrophobicContact CD2-CG2 4.28Å; F609-V613 HydrophobicContact CE1-CG2 3.59Å; F609-V613 HydrophobicContact CE2-CG2 3.92Å; F609-V613 HydrophobicContact CG-CG2 4.31Å; F609-V613 HydrophobicContact CZ-CG2 3.56Å; F609-V613 WeakPolarHBondContact O-CB 3.43Å; F609-V613 VanDerWaalsContact O-CG2 3.25Å; F609-V613 WeakPolarHBondContact O-CG2 3.41Å; F609-V613 PolarHBondContact O-N 3.01Å
610L62.6Low56.6Low82 Ų82105.1 Ų105.143%0.42953%0.529SS..Hα-helixtrans-62.2-43.6171.6-92159.6000110.9W606 F612 V613 V614W606-L610 HydrophobicContact CE3-CD1 3.68Å; W606-L610 HydrophobicContact CE3-CG 3.98Å; W606-L610 HydrophobicContact CZ3-CD1 3.95Å; W606-L610 HydrophobicContact CZ3-CG 4.05Å; W606-L610 WeakPolarHBondContact O-CB 3.26Å; W606-L610 PolarHBondContact O-N 3.34Å; L610-F612 VanDerWaalsContact C-N 3.3Å; L610-F612 PolarHBondContact O-N 3.07Å; L610-V613 PolarHBondContact O-N 3.41Å; L610-V614 VanDerWaalsContact O-CB 3.29Å; L610-V614 WeakPolarHBondContact O-CB 3.31Å; L610-V614 VanDerWaalsContact O-CG2 3.22Å; L610-V614 WeakPolarHBondContact O-CG2 3.32Å; L610-V614 PolarHBondContact O-N 3.07Å
611R68.3Low57.6Low186 Ų186107.3 Ų107.370%0.70253%0.525SS*.Hα-helixtrans-62.7-38.7171.8-75.6177.5-169.3-161.73.3111.3L607 S608 T615L607-R611 WeakPolarHBondContact O-CB 3.19Å; L607-R611 VanDerWaalsContact O-CG 3.24Å; L607-R611 WeakPolarHBondContact O-CG 3.38Å; L607-R611 PolarHBondContact O-N 2.65Å; S608-R611 CarbonylContact O-C 3.47Å; S608-R611 PolarHBondContact O-N 2.98Å; R611-T615 WeakPolarHBondContact O-CA 3.45Å; R611-T615 WeakPolarHBondContact O-CB 3.29Å; R611-T615 PolarHBondContact O-N 3.42Å; R611-T615 PolarHBondContact O-OG1 3.02Å
612F72.3Confident58.4Low122 Ų122108.6 Ų108.654%0.53552%0.524SS..Hα-helixtrans-67.3-42.9175.8174.5-94.9000110.9S608 F609 L610 T615 Y616S608-F612 WeakPolarHBondContact O-CA 3.35Å; S608-F612 WeakPolarHBondContact O-CB 3.18Å; S608-F612 PolarHBondContact O-N 2.92Å; F609-F612 CarbonylContact O-C 3.42Å; F609-F612 WeakPolarHBondContact O-CA 3Å; F609-F612 WeakPolarHBondContact O-CB 3.38Å; F609-F612 PolarHBondContact O-N 3.15Å; F609-F612 VanDerWaalsContact O-N 3.14Å; L610-F612 VanDerWaalsContact C-N 3.3Å; L610-F612 PolarHBondContact O-N 3.07Å; F612-T615 CarbonylContact O-C 3.45Å; F612-T615 PolarHBondContact O-N 3.43Å; F612-Y616 HydrophobicContact CE1-CG 4.44Å; F612-Y616 HydrophobicContact CZ-CD2 4.2Å; F612-Y616 VanDerWaalsContact O-CA 3.31Å; F612-Y616 WeakPolarHBondContact O-CA 3.47Å; F612-Y616 WeakPolarHBondContact O-CB 3.39Å; F612-Y616 PolarHBondContact O-N 3.14Å
613V58.5Low58.3Low47 Ų47112.7 Ų112.729%0.28553%0.526SS..Hα-helixtrans-68.9-40.2178.2169.70000110.5F609 L610 Y616 Q617F609-V613 HydrophobicContact CD1-CG2 3.98Å; F609-V613 HydrophobicContact CD2-CG2 4.28Å; F609-V613 HydrophobicContact CE1-CG2 3.59Å; F609-V613 HydrophobicContact CE2-CG2 3.92Å; F609-V613 HydrophobicContact CG-CG2 4.31Å; F609-V613 HydrophobicContact CZ-CG2 3.56Å; F609-V613 WeakPolarHBondContact O-CB 3.43Å; F609-V613 VanDerWaalsContact O-CG2 3.25Å; F609-V613 WeakPolarHBondContact O-CG2 3.41Å; F609-V613 PolarHBondContact O-N 3.01Å; L610-V613 PolarHBondContact O-N 3.41Å; V613-Y616 PolarHBondContact O-N 3.42Å; V613-Q617 WeakPolarHBondContact O-CA 3.34Å; V613-Q617 WeakPolarHBondContact O-CB 3.47Å; V613-Q617 WeakPolarHBondContact O-CG 3.33Å; V613-Q617 PolarHBondContact O-N 3.02Å
614V64.7Low58.1Low62 Ų62110.9 Ų110.938%0.37652%0.516SS..Hα-helixtrans-70.3-40.1174.1171.80000110.6L610 K618L610-V614 VanDerWaalsContact O-CB 3.29Å; L610-V614 WeakPolarHBondContact O-CB 3.31Å; L610-V614 VanDerWaalsContact O-CG2 3.22Å; L610-V614 WeakPolarHBondContact O-CG2 3.32Å; L610-V614 PolarHBondContact O-N 3.07Å; V614-K618 HydrophobicContact CG1-CD 4.21Å; V614-K618 WeakPolarHBondContact O-CB 3.26Å; V614-K618 WeakPolarHBondContact O-CG 3.37Å; V614-K618 PolarHBondContact O-N 3.35Å
615T65.5Low58Low86 Ų86103.6 Ų103.653%0.52850%0.497SS..Hα-helixtrans-69.6-35.4174.6-640000111.1R611 F612 K618 L619R611-T615 WeakPolarHBondContact O-CA 3.45Å; R611-T615 WeakPolarHBondContact O-CB 3.29Å; R611-T615 PolarHBondContact O-N 3.42Å; R611-T615 PolarHBondContact O-OG1 3.02Å; F612-T615 CarbonylContact O-C 3.45Å; F612-T615 PolarHBondContact O-N 3.43Å; T615-K618 CarbonylContact O-C 3.51Å; T615-K618 PolarHBondContact O-N 2.89Å; T615-L619 WeakPolarHBondContact O-CA 3.39Å; T615-L619 WeakPolarHBondContact O-CB 3.47Å; T615-L619 PolarHBondContact O-N 3.06Å
616Y57.6Low57.8Low127 Ų127106.3 Ų106.350%0.49850%0.5SS..Hα-helixtrans-74.3-40.8176.9-179.6-97.8000109.9F612 V613 L619 V620F612-Y616 HydrophobicContact CE1-CG 4.44Å; F612-Y616 HydrophobicContact CZ-CD2 4.2Å; F612-Y616 VanDerWaalsContact O-CA 3.31Å; F612-Y616 WeakPolarHBondContact O-CA 3.47Å; F612-Y616 WeakPolarHBondContact O-CB 3.39Å; F612-Y616 PolarHBondContact O-N 3.14Å; V613-Y616 PolarHBondContact O-N 3.42Å; Y616-L619 CarbonylContact O-C 3.58Å; Y616-L619 PolarHBondContact O-N 3.31Å; Y616-V620 HydrophobicContact CD1-CG2 3.79Å; Y616-V620 HydrophobicContact CD2-CG2 4.17Å; Y616-V620 HydrophobicContact CE1-CG2 3.43Å; Y616-V620 VanDerWaalsContact CE1-CG2 3.43Å; Y616-V620 HydrophobicContact CE2-CG2 3.84Å; Y616-V620 HydrophobicContact CG-CG2 4.14Å; Y616-V620 VanDerWaalsContact CZ-CG2 3.45Å; Y616-V620 WeakPolarHBondContact O-CA 3.22Å; Y616-V620 WeakPolarHBondContact O-CB 3.39Å; Y616-V620 WeakPolarHBondContact O-CG2 3.21Å; Y616-V620 PolarHBondContact O-N 3.21Å
617Q53.6Low57.4Low95 Ų95105 Ų10544%0.44450%0.499SS..Hα-helixtrans-63-43.3167.7-84.1-174.4-21.400110.1V613 L619 V620 I621V613-Q617 WeakPolarHBondContact O-CA 3.34Å; V613-Q617 WeakPolarHBondContact O-CB 3.47Å; V613-Q617 WeakPolarHBondContact O-CG 3.33Å; V613-Q617 PolarHBondContact O-N 3.02Å; Q617-L619 VanDerWaalsContact C-N 3.28Å; Q617-L619 PolarHBondContact O-N 3.28Å; Q617-V620 PolarHBondContact O-N 2.83Å; Q617-I621 HydrophobicContact CB-CD1 4.42Å; Q617-I621 WeakPolarHBondContact O-CA 3.41Å; Q617-I621 WeakPolarHBondContact O-CB 3.4Å; Q617-I621 WeakPolarHBondContact O-CD1 3.33Å; Q617-I621 WeakPolarHBondContact O-CG1 3.39Å; Q617-I621 PolarHBondContact O-N 3.26Å
618K60.8Low56.4Low132 Ų132104.7 Ų104.757%0.57450%0.497SS*.Hα-helixtrans-65.4-32.2173.5-78.1175.9-179.5-178.80112V614 T615 R622V614-K618 HydrophobicContact CG1-CD 4.21Å; V614-K618 WeakPolarHBondContact O-CB 3.26Å; V614-K618 WeakPolarHBondContact O-CG 3.37Å; V614-K618 PolarHBondContact O-N 3.35Å; T615-K618 CarbonylContact O-C 3.51Å; T615-K618 PolarHBondContact O-N 2.89Å; K618-R622 WeakPolarHBondContact O-CA 3.44Å; K618-R622 WeakPolarHBondContact O-CB 3.29Å; K618-R622 WeakPolarHBondContact O-CG 3.2Å; K618-R622 PolarHBondContact O-N 3.03Å
619L57.2Low56Low81 Ų81105.5 Ų105.542%0.42450%0.495SS..Hα-helixtrans-81.2-32.8179.1-170.477.3000111T615 Y616 Q617 R622 R623T615-L619 WeakPolarHBondContact O-CA 3.39Å; T615-L619 WeakPolarHBondContact O-CB 3.47Å; T615-L619 PolarHBondContact O-N 3.06Å; Y616-L619 CarbonylContact O-C 3.58Å; Y616-L619 PolarHBondContact O-N 3.31Å; Q617-L619 VanDerWaalsContact C-N 3.28Å; Q617-L619 PolarHBondContact O-N 3.28Å; L619-R622 CarbonylContact O-C 3.53Å; L619-R623 WeakPolarHBondContact O-CA 3.46Å; L619-R623 WeakPolarHBondContact O-CB 3.45Å; L619-R623 WeakPolarHBondContact O-CG 3.32Å; L619-R623 PolarHBondContact O-N 3.05Å
620V50.6Low55.2Low57 Ų57103.7 Ų103.735%0.34549%0.491SS..Hα-helixtrans-78.5-43.5174.8167.80000108.7Y616 Q617 R622 R623 L624Y616-V620 HydrophobicContact CD1-CG2 3.79Å; Y616-V620 HydrophobicContact CD2-CG2 4.17Å; Y616-V620 HydrophobicContact CE1-CG2 3.43Å; Y616-V620 VanDerWaalsContact CE1-CG2 3.43Å; Y616-V620 HydrophobicContact CE2-CG2 3.84Å; Y616-V620 HydrophobicContact CG-CG2 4.14Å; Y616-V620 VanDerWaalsContact CZ-CG2 3.45Å; Y616-V620 WeakPolarHBondContact O-CA 3.22Å; Y616-V620 WeakPolarHBondContact O-CB 3.39Å; Y616-V620 WeakPolarHBondContact O-CG2 3.21Å; Y616-V620 PolarHBondContact O-N 3.21Å; Q617-V620 PolarHBondContact O-N 2.83Å; V620-R622 VanDerWaalsContact C-N 3.32Å; V620-R623 CarbonylContact O-C 3.52Å; V620-R623 PolarHBondContact O-N 3.13Å; V620-L624 VanDerWaalsContact O-CA 3.3Å; V620-L624 WeakPolarHBondContact O-CA 3.25Å; V620-L624 WeakPolarHBondContact O-CB 3.37Å; V620-L624 PolarHBondContact O-N 2.9Å
621I55.7Low54.2Low108 Ų108103 Ų10355%0.55449%0.489SS*.Hα-helixtrans-64.5-39.6169.3-66.2164.3000109.2Q617 S625Q617-I621 HydrophobicContact CB-CD1 4.42Å; Q617-I621 WeakPolarHBondContact O-CA 3.41Å; Q617-I621 WeakPolarHBondContact O-CB 3.4Å; Q617-I621 WeakPolarHBondContact O-CD1 3.33Å; Q617-I621 WeakPolarHBondContact O-CG1 3.39Å; Q617-I621 PolarHBondContact O-N 3.26Å; I621-S625 WeakPolarHBondContact O-CA 3.26Å; I621-S625 WeakPolarHBondContact O-CB 3.25Å; I621-S625 PolarHBondContact O-N 3.33Å
622R55Low53.1Low182 Ų18297 Ų9769%0.68748%0.476SS*.Hα-helixtrans-66.8-45.1171.6-85175.9172.3178.2-3.2111.2K618 L619 V620 L624 S625 Q626K618-R622 WeakPolarHBondContact O-CA 3.44Å; K618-R622 WeakPolarHBondContact O-CB 3.29Å; K618-R622 WeakPolarHBondContact O-CG 3.2Å; K618-R622 PolarHBondContact O-N 3.03Å; L619-R622 CarbonylContact O-C 3.53Å; V620-R622 VanDerWaalsContact C-N 3.32Å; R622-L624 VanDerWaalsContact C-N 3.33Å; R622-L624 PolarHBondContact O-N 3.41Å; R622-S625 CarbonylContact O-C 3.53Å; R622-S625 PolarHBondContact O-N 3.48Å; R622-Q626 VanDerWaalsContact O-CA 3.29Å; R622-Q626 WeakPolarHBondContact O-CA 3.35Å; R622-Q626 WeakPolarHBondContact O-CB 3.49Å; R622-Q626 PolarHBondContact O-N 3.4Å
623R46.9Very low51.9Low171 Ų17197.1 Ų97.165%0.64548%0.477SS*.Hα-helixtrans-71.1-27.4178.6-84.1-173.1-179.3-162.81.4112.5L619 V620 F627L619-R623 WeakPolarHBondContact O-CA 3.46Å; L619-R623 WeakPolarHBondContact O-CB 3.45Å; L619-R623 WeakPolarHBondContact O-CG 3.32Å; L619-R623 PolarHBondContact O-N 3.05Å; V620-R623 CarbonylContact O-C 3.52Å; V620-R623 PolarHBondContact O-N 3.13Å; R623-F627 WeakPolarHBondContact O-CA 3.45Å; R623-F627 WeakPolarHBondContact O-CB 3.49Å; R623-F627 PolarHBondContact O-N 3.46Å
624L45.6Very low51.3Low94 Ų94100.1 Ų100.149%0.49249%0.49SS..Hα-helixtrans-83.7-38.7176-173.972.7000108.9V620 R622 Q626 F627 I628V620-L624 VanDerWaalsContact O-CA 3.3Å; V620-L624 WeakPolarHBondContact O-CA 3.25Å; V620-L624 WeakPolarHBondContact O-CB 3.37Å; V620-L624 PolarHBondContact O-N 2.9Å; R622-L624 VanDerWaalsContact C-N 3.33Å; R622-L624 PolarHBondContact O-N 3.41Å; L624-Q626 VanDerWaalsContact C-N 3.3Å; L624-F627 CarbonylContact O-C 3.32Å; L624-I628 HydrophobicContact CG-CD1 4.01Å; L624-I628 WeakPolarHBondContact O-CA 3.38Å; L624-I628 WeakPolarHBondContact O-CB 3.44Å; L624-I628 WeakPolarHBondContact O-CD1 3.43Å; L624-I628 WeakPolarHBondContact O-CG1 3.4Å; L624-I628 PolarHBondContact O-N 3.43Å
625S50.4Low50.3Low51 Ų5199 Ų9936%0.35749%0.487SS..Hα-helixtrans-67.9-34.6168.8-1790000110.5I621 R622 N629I621-S625 WeakPolarHBondContact O-CA 3.26Å; I621-S625 WeakPolarHBondContact O-CB 3.25Å; I621-S625 PolarHBondContact O-N 3.33Å; R622-S625 CarbonylContact O-C 3.53Å; R622-S625 PolarHBondContact O-N 3.48Å; S625-N629 WeakPolarHBondContact O-CA 3.48Å; S625-N629 WeakPolarHBondContact O-CB 3.42Å; S625-N629 PolarHBondContact O-N 3.21Å; S625-N629 PolarHBondContact O-ND2 2.86Å; S625-N629 PolarHBondContact O-OD1 3.45Å
626Q49.2Very low49.3Very low112 Ų11295.7 Ų95.752%0.52347%0.47SS..Hα-helixtrans-78.4-38177.4-165.4162.316.500108.4R622 L624 N629 D630R622-Q626 VanDerWaalsContact O-CA 3.29Å; R622-Q626 WeakPolarHBondContact O-CA 3.35Å; R622-Q626 WeakPolarHBondContact O-CB 3.49Å; R622-Q626 PolarHBondContact O-N 3.4Å; L624-Q626 VanDerWaalsContact C-N 3.3Å; Q626-N629 CarbonylContact O-C 3.6Å; Q626-N629 PolarHBondContact O-N 3.5Å; Q626-D630 VanDerWaalsContact O-CA 3.3Å; Q626-D630 WeakPolarHBondContact O-CA 3.46Å; Q626-D630 WeakPolarHBondContact O-CB 3.38Å; Q626-D630 PolarHBondContact O-N 3.27Å; Q626-D630 VanDerWaalsContact O-OD2 3.07Å
627F47.1Very low48.7Very low127 Ų12792.8 Ų92.856%0.55746%0.463SS*.Hα-helixtrans-65.6-39.3167.3175.8-99.7000111.8R623 L624 D630 V631R623-F627 WeakPolarHBondContact O-CA 3.45Å; R623-F627 WeakPolarHBondContact O-CB 3.49Å; R623-F627 PolarHBondContact O-N 3.46Å; L624-F627 CarbonylContact O-C 3.32Å; F627-D630 CarbonylContact O-C 3.53Å; F627-D630 PolarHBondContact O-N 2.92Å; F627-V631 HydrophobicContact CD1-CG2 4.06Å; F627-V631 HydrophobicContact CD2-CG2 4.09Å; F627-V631 HydrophobicContact CE1-CG2 3.71Å; F627-V631 HydrophobicContact CE2-CG2 3.74Å; F627-V631 HydrophobicContact CG-CG2 4.25Å; F627-V631 HydrophobicContact CZ-CG2 3.53Å; F627-V631 WeakPolarHBondContact O-CA 3.35Å; F627-V631 WeakPolarHBondContact O-CB 3.24Å; F627-V631 WeakPolarHBondContact O-CG2 3.41Å; F627-V631 PolarHBondContact O-N 2.89Å
628I45.2Very low48.2Very low87 Ų8789.4 Ų89.445%0.44645%0.451SS..Hα-helixtrans-69.4-38.9174.2-73.7162.9000109.1L624 V631 S632L624-I628 HydrophobicContact CG-CD1 4.01Å; L624-I628 WeakPolarHBondContact O-CA 3.38Å; L624-I628 WeakPolarHBondContact O-CB 3.44Å; L624-I628 WeakPolarHBondContact O-CD1 3.43Å; L624-I628 WeakPolarHBondContact O-CG1 3.4Å; L624-I628 PolarHBondContact O-N 3.43Å; I628-V631 CarbonylContact O-C 3.54Å; I628-S632 WeakPolarHBondContact O-CA 3.37Å; I628-S632 WeakPolarHBondContact O-CB 3.19Å; I628-S632 PolarHBondContact O-N 3.35Å; I628-S632 PolarHBondContact O-OG 2.89Å
629N47.2Very low47.4Very low93 Ų9384.3 Ų84.350%0.49743%0.43SS..Hα-helixtrans-72-33.8175.8-72.5-21000110.8S625 Q626 S632 F633S625-N629 WeakPolarHBondContact O-CA 3.48Å; S625-N629 WeakPolarHBondContact O-CB 3.42Å; S625-N629 PolarHBondContact O-N 3.21Å; S625-N629 PolarHBondContact O-ND2 2.86Å; S625-N629 PolarHBondContact O-OD1 3.45Å; Q626-N629 CarbonylContact O-C 3.6Å; Q626-N629 PolarHBondContact O-N 3.5Å; N629-S632 CarbonylContact O-C 3.47Å; N629-S632 PolarHBondContact O-N 3.45Å; N629-F633 VanDerWaalsContact O-CA 3.31Å; N629-F633 WeakPolarHBondContact O-CA 3.47Å; N629-F633 WeakPolarHBondContact O-CB 3.5Å; N629-F633 PolarHBondContact O-N 3.28Å
630D44.3Very low46.8Very low76 Ų7687 Ų8741%0.40644%0.44SS..Hα-helixtrans-76.8-38.2177.9-68.8-19.8000107.9Q626 F627 F633 I634Q626-D630 VanDerWaalsContact O-CA 3.3Å; Q626-D630 WeakPolarHBondContact O-CA 3.46Å; Q626-D630 WeakPolarHBondContact O-CB 3.38Å; Q626-D630 PolarHBondContact O-N 3.27Å; Q626-D630 VanDerWaalsContact O-OD2 3.07Å; F627-D630 CarbonylContact O-C 3.53Å; F627-D630 PolarHBondContact O-N 2.92Å; D630-F633 CarbonylContact O-C 3.58Å; D630-F633 PolarHBondContact O-N 3.03Å; D630-I634 WeakPolarHBondContact O-CA 2.97Å; D630-I634 WeakPolarHBondContact O-CB 3.33Å; D630-I634 VanDerWaalsContact O-CD1 3.3Å; D630-I634 WeakPolarHBondContact O-CD1 3.28Å; D630-I634 WeakPolarHBondContact O-CG1 3.31Å; D630-I634 PolarHBondContact O-N 3.39Å
631V43.1Very low46.5Very low66 Ų6685.7 Ų85.740%0.443%0.434SS..Hα-helixtrans-69.5-35.4168.5168.20000109.7F627 I628 F633 A635F627-V631 HydrophobicContact CD1-CG2 4.06Å; F627-V631 HydrophobicContact CD2-CG2 4.09Å; F627-V631 HydrophobicContact CE1-CG2 3.71Å; F627-V631 HydrophobicContact CE2-CG2 3.74Å; F627-V631 HydrophobicContact CG-CG2 4.25Å; F627-V631 HydrophobicContact CZ-CG2 3.53Å; F627-V631 WeakPolarHBondContact O-CA 3.35Å; F627-V631 WeakPolarHBondContact O-CB 3.24Å; F627-V631 WeakPolarHBondContact O-CG2 3.41Å; F627-V631 PolarHBondContact O-N 2.89Å; I628-V631 CarbonylContact O-C 3.54Å; V631-F633 VanDerWaalsContact C-N 3.34Å; V631-A635 VanDerWaalsContact O-CA 3.27Å; V631-A635 WeakPolarHBondContact O-CA 3.4Å; V631-A635 WeakPolarHBondContact O-CB 3.36Å; V631-A635 PolarHBondContact O-N 3.27Å
632S45.1Very low45.8Very low60 Ų6082.3 Ų82.342%0.4242%0.416SS..Hα-helixtrans-78.6-20.3175.5-61.60000112.3I628 N629 G636I628-S632 WeakPolarHBondContact O-CA 3.37Å; I628-S632 WeakPolarHBondContact O-CB 3.19Å; I628-S632 PolarHBondContact O-N 3.35Å; I628-S632 PolarHBondContact O-OG 2.89Å; N629-S632 CarbonylContact O-C 3.47Å; N629-S632 PolarHBondContact O-N 3.45Å; S632-G636 WeakPolarHBondContact O-CA 3.27Å; S632-G636 PolarHBondContact O-N 2.82Å
633F47.3Very low45.2Very low126 Ų12675.4 Ų75.455%0.55339%0.392SS*.Hα-helixtrans-93.9-35.1177.2177.4-101.3000110.2N629 D630 V631 G636 N637N629-F633 VanDerWaalsContact O-CA 3.31Å; N629-F633 WeakPolarHBondContact O-CA 3.47Å; N629-F633 WeakPolarHBondContact O-CB 3.5Å; N629-F633 PolarHBondContact O-N 3.28Å; D630-F633 CarbonylContact O-C 3.58Å; D630-F633 PolarHBondContact O-N 3.03Å; V631-F633 VanDerWaalsContact C-N 3.34Å; F633-G636 CarbonylContact O-C 3.59Å; F633-G636 PolarHBondContact O-N 3.17Å; F633-N637 VanDerWaalsContact CD1-ND2 3.33Å; F633-N637 WeakPolarHBondContact CD1-ND2 3.46Å; F633-N637 WeakPolarHBondContact CE1-ND2 3.29Å; F633-N637 WeakPolarHBondContact CZ-ND2 3.32Å; F633-N637 WeakPolarHBondContact O-CA 3.48Å; F633-N637 WeakPolarHBondContact O-CB 3.47Å; F633-N637 PolarHBondContact O-N 2.87Å; F633-N637 PolarHBondContact O-ND2 2.94Å
634I44.7Very low45.2Very low109 Ų10969.1 Ų69.156%0.55937%0.373SS*.Hα-helixtrans-69.6-47.3166.5-70.2162.5000107.7D630 G636 N637 A638D630-I634 WeakPolarHBondContact O-CA 2.97Å; D630-I634 WeakPolarHBondContact O-CB 3.33Å; D630-I634 VanDerWaalsContact O-CD1 3.3Å; D630-I634 WeakPolarHBondContact O-CD1 3.28Å; D630-I634 WeakPolarHBondContact O-CG1 3.31Å; D630-I634 PolarHBondContact O-N 3.39Å; I634-G636 VanDerWaalsContact C-N 3.33Å; I634-N637 PolarHBondContact O-N 2.99Å; I634-A638 WeakPolarHBondContact O-CA 3.04Å; I634-A638 WeakPolarHBondContact O-CB 3.2Å; I634-A638 PolarHBondContact O-N 3.47Å
635A44.4Very low45.1Very low39 Ų3968.1 Ų68.132%0.32237%0.365SS..Hα-helixtrans-61-47168.600000108.6V631 N637 A638 I639V631-A635 VanDerWaalsContact O-CA 3.27Å; V631-A635 WeakPolarHBondContact O-CA 3.4Å; V631-A635 WeakPolarHBondContact O-CB 3.36Å; V631-A635 PolarHBondContact O-N 3.27Å; A635-N637 VanDerWaalsContact C-N 3.34Å; A635-N637 PolarHBondContact O-N 3.08Å; A635-A638 CarbonylContact O-C 3.58Å; A635-A638 PolarHBondContact O-N 3.1Å; A635-I639 HydrophobicContact CB-CD1 3.98Å; A635-I639 WeakPolarHBondContact O-CA 3.05Å; A635-I639 WeakPolarHBondContact O-CB 3.4Å; A635-I639 WeakPolarHBondContact O-CD1 3.3Å; A635-I639 WeakPolarHBondContact O-CG1 3.17Å; A635-I639 PolarHBondContact O-N 3.33Å
636G43.9Very low44.6Very low16 Ų1669.1 Ų69.117%0.16536%0.363CS..Hα-helixtrans-60.7-36.4179.500000114.4S632 F633 I634 I639 Q640S632-G636 WeakPolarHBondContact O-CA 3.27Å; S632-G636 PolarHBondContact O-N 2.82Å; F633-G636 CarbonylContact O-C 3.59Å; F633-G636 PolarHBondContact O-N 3.17Å; I634-G636 VanDerWaalsContact C-N 3.33Å; G636-I639 CarbonylContact O-C 3.56Å; G636-Q640 WeakPolarHBondContact O-CB 3.36Å; G636-Q640 PolarHBondContact O-N 2.8Å
637N44.8Very low44.3Very low67 Ų6771.4 Ų71.436%0.35837%0.367SS..Hα-helixtrans-81.6-41176.7-73.6-20.8000111.1F633 I634 A635 I639 Q640 C641F633-N637 VanDerWaalsContact CD1-ND2 3.33Å; F633-N637 WeakPolarHBondContact CD1-ND2 3.46Å; F633-N637 WeakPolarHBondContact CE1-ND2 3.29Å; F633-N637 WeakPolarHBondContact CZ-ND2 3.32Å; F633-N637 WeakPolarHBondContact O-CA 3.48Å; F633-N637 WeakPolarHBondContact O-CB 3.47Å; F633-N637 PolarHBondContact O-N 2.87Å; F633-N637 PolarHBondContact O-ND2 2.94Å; I634-N637 PolarHBondContact O-N 2.99Å; A635-N637 VanDerWaalsContact C-N 3.34Å; A635-N637 PolarHBondContact O-N 3.08Å; N637-I639 PolarHBondContact O-N 3.05Å; N637-Q640 PolarHBondContact O-N 3.22Å; N637-C641 VanDerWaalsContact O-CB 3.29Å; N637-C641 WeakPolarHBondContact O-CB 3.49Å; N637-C641 PolarHBondContact O-N 3.37Å; N637-C641 PolarHBondContact O-SG 2.69Å
638A43Very low44Very low23 Ų2369.3 Ų69.319%0.1936%0.362CS..Hα-helixtrans-60-36.4167.900000109.8I634 A635 C641 I642I634-A638 WeakPolarHBondContact O-CA 3.04Å; I634-A638 WeakPolarHBondContact O-CB 3.2Å; I634-A638 PolarHBondContact O-N 3.47Å; A635-A638 CarbonylContact O-C 3.58Å; A635-A638 PolarHBondContact O-N 3.1Å; A638-C641 CarbonylContact O-C 3.59Å; A638-C641 PolarHBondContact O-N 3.08Å; A638-I642 VanDerWaalsContact O-CB 3.28Å; A638-I642 WeakPolarHBondContact O-CB 3.45Å; A638-I642 VanDerWaalsContact O-CD1 3.32Å; A638-I642 WeakPolarHBondContact O-CD1 3.34Å; A638-I642 WeakPolarHBondContact O-CG1 3.5Å; A638-I642 PolarHBondContact O-N 3.36Å
639I45.4Very low43.7Very low26 Ų2666.2 Ų66.213%0.13335%0.347CS..Hα-helixtrans-72.4-41.8176.5-74.6161.7000110.2F204 A635 G636 N637 C641 I642 F643F204-I639 HydrophobicContact CE1-CG1 4.49Å; F204-I639 HydrophobicContact CZ-CD1 4.38Å; F204-I639 HydrophobicContact CZ-CG2 4.34Å; A635-I639 HydrophobicContact CB-CD1 3.98Å; A635-I639 WeakPolarHBondContact O-CA 3.05Å; A635-I639 WeakPolarHBondContact O-CB 3.4Å; A635-I639 WeakPolarHBondContact O-CD1 3.3Å; A635-I639 WeakPolarHBondContact O-CG1 3.17Å; A635-I639 PolarHBondContact O-N 3.33Å; G636-I639 CarbonylContact O-C 3.56Å; N637-I639 PolarHBondContact O-N 3.05Å; I639-C641 VanDerWaalsContact C-N 3.34Å; I639-I642 CarbonylContact O-C 3.46Å; I639-I642 PolarHBondContact O-N 2.84Å; I639-F643 HydrophobicContact CG2-CD2 3.5Å; I639-F643 HydrophobicContact CG2-CE2 3.44Å; I639-F643 VanDerWaalsContact CG2-CE2 3.44Å; I639-F643 WeakPolarHBondContact O-CB 3.28Å; I639-F643 WeakPolarHBondContact O-CD2 3.3Å; I639-F643 PolarHBondContact O-N 3.33Å
640Q44.7Very low43.1Very low136 Ų13665.5 Ų65.564%0.63634%0.34SS*.Hα-helixtrans-65-37.8171.5-99.2-98.1-29.500111.1G636 N637 F643 S644G636-Q640 WeakPolarHBondContact O-CB 3.36Å; G636-Q640 PolarHBondContact O-N 2.8Å; N637-Q640 PolarHBondContact O-N 3.22Å; Q640-F643 PolarHBondContact O-N 3.44Å; Q640-S644 VanDerWaalsContact O-CB 3.27Å; Q640-S644 WeakPolarHBondContact O-CB 3.29Å; Q640-S644 PolarHBondContact O-N 3.47Å
641C43Very low42.7Very low31 Ų3169.8 Ų69.821%0.20936%0.358CS..Hα-helixtrans-69.4-38.6171.2-73.10000111.4P262 N637 A638 I639 F643 S644 F645P262-C641 HydrophobicContact CG-CB 4.11Å; N637-C641 VanDerWaalsContact O-CB 3.29Å; N637-C641 WeakPolarHBondContact O-CB 3.49Å; N637-C641 PolarHBondContact O-N 3.37Å; N637-C641 PolarHBondContact O-SG 2.69Å; A638-C641 CarbonylContact O-C 3.59Å; A638-C641 PolarHBondContact O-N 3.08Å; I639-C641 VanDerWaalsContact C-N 3.34Å; C641-F643 VanDerWaalsContact C-N 3.32Å; C641-S644 PolarHBondContact O-N 3.27Å; C641-F645 WeakPolarHBondContact O-CA 3.25Å; C641-F645 WeakPolarHBondContact O-CB 3.46Å; C641-F645 PolarHBondContact O-N 2.95Å
642I41.4Very low42.3Very low37 Ų3769.2 Ų69.219%0.1937%0.366CS..Hα-helixtrans-63.4-39.1171.9-74.3159.4000109.6L257 A638 I639 F645 F646L257-I642 HydrophobicContact CD2-CG1 4.49Å; A638-I642 VanDerWaalsContact O-CB 3.28Å; A638-I642 WeakPolarHBondContact O-CB 3.45Å; A638-I642 VanDerWaalsContact O-CD1 3.32Å; A638-I642 WeakPolarHBondContact O-CD1 3.34Å; A638-I642 WeakPolarHBondContact O-CG1 3.5Å; A638-I642 PolarHBondContact O-N 3.36Å; I639-I642 CarbonylContact O-C 3.46Å; I639-I642 PolarHBondContact O-N 2.84Å; I642-F645 WeakPolarHBondContact O-CB 3.41Å; I642-F646 HydrophobicContact CG2-CD2 3.58Å; I642-F646 HydrophobicContact CG2-CE2 3.3Å; I642-F646 HydrophobicContact CG2-CZ 4.43Å; I642-F646 WeakPolarHBondContact O-CB 3.34Å; I642-F646 WeakPolarHBondContact O-CD2 3.36Å; I642-F646 WeakPolarHBondContact O-CG 3.34Å; I642-F646 PolarHBondContact O-N 3.42Å
643F43.3Very low41.6Very low37 Ų3769.6 Ų69.616%0.16236%0.361CS..Hα-helixtrans-75.2-38.8176.8-85.3-62.2000113.1P214 K219 T222 I639 Q640 C641 F645 F646 R647P214-F643 HydrophobicContact CG-CE1 4.36Å; K219-F643 HydrophobicContact CG-CE1 4.24Å; K219-F643 HydrophobicContact CG-CZ 4.2Å; T222-F643 HydrophobicContact CG2-CE2 4.32Å; T222-F643 HydrophobicContact CG2-CZ 4.2Å; I639-F643 HydrophobicContact CG2-CD2 3.5Å; I639-F643 HydrophobicContact CG2-CE2 3.44Å; I639-F643 VanDerWaalsContact CG2-CE2 3.44Å; I639-F643 WeakPolarHBondContact O-CB 3.28Å; I639-F643 WeakPolarHBondContact O-CD2 3.3Å; I639-F643 PolarHBondContact O-N 3.33Å; Q640-F643 PolarHBondContact O-N 3.44Å; C641-F643 VanDerWaalsContact C-N 3.32Å; F643-F645 VanDerWaalsContact C-N 3.3Å; F643-F646 PolarHBondContact O-N 2.85Å; F643-R647 WeakPolarHBondContact O-CB 3.24Å; F643-R647 PolarHBondContact O-N 3.25Å
644S45.4Very low40.8Very low38 Ų3869.6 Ų69.627%0.26636%0.363SS..Hα-helixtrans-66.1-39.2171.9-167.70000109.4Q640 C641 R647 D648Q640-S644 VanDerWaalsContact O-CB 3.27Å; Q640-S644 WeakPolarHBondContact O-CB 3.29Å; Q640-S644 PolarHBondContact O-N 3.47Å; C641-S644 PolarHBondContact O-N 3.27Å; S644-R647 CarbonylContact O-C 3.4Å; S644-R647 WeakPolarHBondContact O-CB 3.29Å; S644-R647 PolarHBondContact O-N 3.48Å; S644-R647 PolarHBondContact OG-NH2 3.37Å; S644-D648 VanDerWaalsContact O-CB 3.3Å; S644-D648 WeakPolarHBondContact O-CB 3.41Å; S644-D648 PolarHBondContact O-N 3.13Å; S644-D648 PolarHBondContact OG-OD2 3.39Å
645F44.7Very low40.2Very low74 Ų7473.6 Ų73.633%0.32538%0.376SS..Hα-helixtrans-59.9-52.3169.7176.1-97.7000109.8T260 C641 I642 F643 R647 D648 T649T260-F645 HydrophobicContact CG2-CE1 4.23Å; T260-F645 HydrophobicContact CG2-CE2 4.23Å; T260-F645 HydrophobicContact CG2-CZ 3.95Å; C641-F645 WeakPolarHBondContact O-CA 3.25Å; C641-F645 WeakPolarHBondContact O-CB 3.46Å; C641-F645 PolarHBondContact O-N 2.95Å; I642-F645 WeakPolarHBondContact O-CB 3.41Å; F643-F645 VanDerWaalsContact C-N 3.3Å; F645-R647 PolarHBondContact O-N 3.38Å; F645-R647 VanDerWaalsContact O-N 3.09Å; F645-D648 PolarHBondContact O-N 3.11Å; F645-D648 VanDerWaalsContact O-N 3.09Å; F645-T649 HydrophobicContact CD1-CG2 3.95Å; F645-T649 HydrophobicContact CD2-CG2 3.57Å; F645-T649 HydrophobicContact CE1-CG2 3.7Å; F645-T649 HydrophobicContact CE2-CG2 3.3Å; F645-T649 HydrophobicContact CG-CG2 3.9Å; F645-T649 HydrophobicContact CZ-CG2 3.38Å; F645-T649 WeakPolarHBondContact O-CA 3.4Å; F645-T649 VanDerWaalsContact O-CB 3.29Å; F645-T649 WeakPolarHBondContact O-CB 3.41Å; F645-T649 WeakPolarHBondContact O-CG2 3.36Å; F645-T649 PolarHBondContact O-N 2.99Å; F645-T649 PolarHBondContact O-OG1 2.72Å
646F39.6Very low39.5Very low71 Ų7175.8 Ų75.831%0.31138%0.382SS..Hα-helixtrans-59.6-25.2175.8-80.1-59.9000113.9L205 I642 F643 T649 H650L205-F646 HydrophobicContact CD1-CE2 4.04Å; L205-F646 HydrophobicContact CD1-CZ 3.76Å; I642-F646 HydrophobicContact CG2-CD2 3.58Å; I642-F646 HydrophobicContact CG2-CE2 3.3Å; I642-F646 HydrophobicContact CG2-CZ 4.43Å; I642-F646 WeakPolarHBondContact O-CB 3.34Å; I642-F646 WeakPolarHBondContact O-CD2 3.36Å; I642-F646 WeakPolarHBondContact O-CG 3.34Å; I642-F646 PolarHBondContact O-N 3.42Å; F643-F646 PolarHBondContact O-N 2.85Å; F646-T649 WeakPolarHBondContact CA-OG1 3.39Å; F646-H650 WeakPolarHBondContact O-CB 3.33Å; F646-H650 PolarHBondContact O-N 2.71Å
647R42.8Very low38.8Very low161 Ų16179.8 Ų79.861%0.60840%0.399SS*.Hα-helixtrans-78.1-47.6172.6-175.2-170.164.8-176.7-5.1111.7F643 S644 F645 H650 E651F643-R647 WeakPolarHBondContact O-CB 3.24Å; F643-R647 PolarHBondContact O-N 3.25Å; S644-R647 CarbonylContact O-C 3.4Å; S644-R647 WeakPolarHBondContact O-CB 3.29Å; S644-R647 PolarHBondContact O-N 3.48Å; S644-R647 PolarHBondContact OG-NH2 3.37Å; F645-R647 PolarHBondContact O-N 3.38Å; F645-R647 VanDerWaalsContact O-N 3.09Å; R647-H650 VanDerWaalsContact O-CB 3.27Å; R647-H650 WeakPolarHBondContact O-CB 3.42Å; R647-H650 PolarHBondContact O-N 3.33Å; R647-H650 VanDerWaalsContact O-N 3.12Å; R647-E651 PolarHBondContact O-N 3.2Å
648D40.8Very low38.2Very low82 Ų8283.8 Ų83.844%0.43942%0.42SS..Hα-helixtrans-79.4-28.7-174.5-55.9-15.1000111S644 F645 G652S644-D648 VanDerWaalsContact O-CB 3.3Å; S644-D648 WeakPolarHBondContact O-CB 3.41Å; S644-D648 PolarHBondContact O-N 3.13Å; S644-D648 PolarHBondContact OG-OD2 3.39Å; F645-D648 PolarHBondContact O-N 3.11Å; F645-D648 VanDerWaalsContact O-N 3.09Å; D648-G652 PolarHBondContact O-N 2.82Å
649T39.2Very low37.8Very low23 Ų2387.3 Ų87.314%0.14143%0.433CS..Hα-helixtrans-76.2-20.4163.762.50000111.9F645 F646 E651 G652 Q653F645-T649 HydrophobicContact CD1-CG2 3.95Å; F645-T649 HydrophobicContact CD2-CG2 3.57Å; F645-T649 HydrophobicContact CE1-CG2 3.7Å; F645-T649 HydrophobicContact CE2-CG2 3.3Å; F645-T649 HydrophobicContact CG-CG2 3.9Å; F645-T649 HydrophobicContact CZ-CG2 3.38Å; F645-T649 WeakPolarHBondContact O-CA 3.4Å; F645-T649 VanDerWaalsContact O-CB 3.29Å; F645-T649 WeakPolarHBondContact O-CB 3.41Å; F645-T649 WeakPolarHBondContact O-CG2 3.36Å; F645-T649 PolarHBondContact O-N 2.99Å; F645-T649 PolarHBondContact O-OG1 2.72Å; F646-T649 WeakPolarHBondContact CA-OG1 3.39Å; T649-E651 VanDerWaalsContact C-N 3.26Å; T649-E651 PolarHBondContact O-N 2.71Å; T649-G652 CarbonylContact O-C 3.52Å; T649-G652 PolarHBondContact O-N 3.1Å; T649-Q653 VanDerWaalsContact O-CA 3.24Å; T649-Q653 WeakPolarHBondContact O-CA 3.4Å; T649-Q653 WeakPolarHBondContact O-CB 3.44Å; T649-Q653 VanDerWaalsContact O-CG 3.27Å; T649-Q653 WeakPolarHBondContact O-CG 3.37Å; T649-Q653 PolarHBondContact O-N 3.11Å
650H34.5Very low37.2Very low77 Ų7790.9 Ų90.936%0.35646%0.458SS..Hα-helixtrans-64.1-36.8170.2-136.7-85.9000110.8F646 R647 E654F646-H650 WeakPolarHBondContact O-CB 3.33Å; F646-H650 PolarHBondContact O-N 2.71Å; R647-H650 VanDerWaalsContact O-CB 3.27Å; R647-H650 WeakPolarHBondContact O-CB 3.42Å; R647-H650 PolarHBondContact O-N 3.33Å; R647-H650 VanDerWaalsContact O-N 3.12Å; H650-E654 IonicContact ND1-OE1 3.77Å; H650-E654 WeakPolarHBondContact O-CB 3.26Å; H650-E654 WeakPolarHBondContact O-CG 3.5Å; H650-E654 PolarHBondContact O-N 3.41Å
651E36.7Very low37.3Very low166 Ų16690.9 Ų90.978%0.77645%0.452SS*.Hα-helixtrans-72.3-31.6175.3-70.6-175.6170.600112.8R647 T649R647-E651 PolarHBondContact O-N 3.2Å; T649-E651 VanDerWaalsContact C-N 3.26Å; T649-E651 PolarHBondContact O-N 2.71Å
652G33.1Very low37.5Very low55 Ų5592 Ų9257%0.56746%0.458SS*.Hα-helixtrans-85.3-27.917500000115.1D648 T649D648-G652 PolarHBondContact O-N 2.82Å; T649-G652 CarbonylContact O-C 3.52Å; T649-G652 PolarHBondContact O-N 3.1Å
653Q30.4Very low37.8Very low67 Ų6790.7 Ų90.731%0.31345%0.451SS..Hα-helixtrans-104.8-0.9-176.5-62.7-167.4-27.200113.2T649 K655 L656 L657T649-Q653 VanDerWaalsContact O-CA 3.24Å; T649-Q653 WeakPolarHBondContact O-CA 3.4Å; T649-Q653 WeakPolarHBondContact O-CB 3.44Å; T649-Q653 VanDerWaalsContact O-CG 3.27Å; T649-Q653 WeakPolarHBondContact O-CG 3.37Å; T649-Q653 PolarHBondContact O-N 3.11Å; Q653-K655 PolarHBondContact O-N 2.85Å; Q653-K655 VanDerWaalsContact O-N 3.14Å; Q653-L656 HydrophobicContact CB-CB 3.96Å; Q653-L656 HydrophobicContact CG-CB 4.15Å; Q653-L656 HydrophobicContact CG-CD2 4.19Å; Q653-L656 CarbonylContact O-C 3.43Å; Q653-L656 WeakPolarHBondContact O-CA 3.35Å; Q653-L656 PolarHBondContact O-N 3.25Å; Q653-L657 HydrophobicContact CB-CD1 4.33Å; Q653-L657 HydrophobicContact CB-CG 4.23Å; Q653-L657 VanDerWaalsContact O-CB 3.28Å; Q653-L657 WeakPolarHBondContact O-CB 3.46Å; Q653-L657 VanDerWaalsContact O-CG 3.3Å; Q653-L657 WeakPolarHBondContact O-CG 3.47Å; Q653-L657 PolarHBondContact O-N 2.87Å
654E30.3Very low37.9Very low126 Ų12695.8 Ų95.859%0.58947%0.473SS*.THydrogen-bonded Turntrans-55.1-27.3160-98-179.2-179.500110.9H650H650-E654 IonicContact ND1-OE1 3.77Å; H650-E654 WeakPolarHBondContact O-CB 3.26Å; H650-E654 WeakPolarHBondContact O-CG 3.5Å; H650-E654 PolarHBondContact O-N 3.41Å
655K32.6Very low38Very low194 Ų19495.7 Ų95.784%0.84348%0.479SS*.THydrogen-bonded Turntrans-79.3-14.2169.1-75.6-174.3176.6-1800115.7Q653Q653-K655 PolarHBondContact O-N 2.85Å; Q653-K655 VanDerWaalsContact O-N 3.14Å
656L30.2Very low38.2Very low84 Ų8493.7 Ų93.744%0.4447%0.47SS..THydrogen-bonded Turntrans-107.6-25.2-178.7-157.579.4000112.3Q653 D658 E659Q653-L656 HydrophobicContact CB-CB 3.96Å; Q653-L656 HydrophobicContact CG-CB 4.15Å; Q653-L656 HydrophobicContact CG-CD2 4.19Å; Q653-L656 CarbonylContact O-C 3.43Å; Q653-L656 WeakPolarHBondContact O-CA 3.35Å; Q653-L656 PolarHBondContact O-N 3.25Å; L656-D658 VanDerWaalsContact C-N 3.32Å; L656-E659 VanDerWaalsContact O-CB 3.31Å; L656-E659 WeakPolarHBondContact O-CB 3.43Å; L656-E659 PolarHBondContact O-N 2.98Å
657L29.2Very low38.6Very low101 Ų10196.4 Ų96.453%0.52949%0.494SS..THydrogen-bonded Turntrans-80.5-13178.5-72.1167.8000112.8Q653 E659Q653-L657 HydrophobicContact CB-CD1 4.33Å; Q653-L657 HydrophobicContact CB-CG 4.23Å; Q653-L657 VanDerWaalsContact O-CB 3.28Å; Q653-L657 WeakPolarHBondContact O-CB 3.46Å; Q653-L657 VanDerWaalsContact O-CG 3.3Å; Q653-L657 WeakPolarHBondContact O-CG 3.47Å; Q653-L657 PolarHBondContact O-N 2.87Å; L657-E659 PolarHBondContact O-N 3.48Å
658D31.3Very low38.6Very low151 Ų15192.7 Ų92.781%0.80750%0.499SS*.THydrogen-bonded Turntrans-72-7.1163.6-87.5-15.6000112.1L656L656-D658 VanDerWaalsContact C-N 3.32Å
659E34.7Very low38.9Very low96 Ų9693 Ų9345%0.44950%0.5SS..SBendtrans-73.3128.7169.1-67.3-167.4165.800110.2L656 L657 R661L656-E659 VanDerWaalsContact O-CB 3.31Å; L656-E659 WeakPolarHBondContact O-CB 3.43Å; L656-E659 PolarHBondContact O-N 2.98Å; L657-E659 PolarHBondContact O-N 3.48Å; E659-R661 PolarHBondContact O-N 3.19Å
660P34Very low39.2Very low102 Ų10293.3 Ų93.366%0.66250%0.501SS*.  trans-58.2136.3-177.421.8-30.8000110.2V662P660-V662 WeakPolarHBondContact O-CG2 3.35Å; P660-V662 PolarHBondContact O-N 2.9Å
661R45.7Very low39.8Very low135 Ų13595.7 Ų95.751%0.50952%0.515SS..  trans-59.996.9170.9-62.5179.2-175.3-172.34.3108.6E659 L663E659-R661 PolarHBondContact O-N 3.19Å; R661-L663 VanDerWaalsContact C-N 3.34Å; R661-L663 PolarHBondContact O-N 3.07Å
662V47.3Very low40.2Very low55 Ų5590.3 Ų90.333%0.33350%0.499SS..  trans-74.1-21-162.4-172.70000112.7D247 Q484 P660D247-V662 PolarHBondContact OD2-N 2.9Å; Q484-V662 HydrophobicContact CG-CG1 4.5Å; Q484-V662 PolarHBondContact NE2-O 3.06Å; Q484-V662 PolarHBondContact OE1-O 3.48Å; P660-V662 WeakPolarHBondContact O-CG2 3.35Å; P660-V662 PolarHBondContact O-N 2.9Å
663L47.4Very low41.1Very low10 Ų1089.1 Ų89.15%0.05248%0.479CS..  trans-134.268.1-170.8-69.8167.9000113.9D247 V248 Q478 R661D247-L663 PolarHBondContact OD2-N 3.39Å; D247-L663 VanDerWaalsContact OD2-N 3.15Å; V248-L663 HydrophobicContact CB-CD1 3.89Å; V248-L663 HydrophobicContact CG1-CD1 3.66Å; Q478-L663 HydrophobicContact CG-CD2 4.45Å; R661-L663 VanDerWaalsContact C-N 3.34Å; R661-L663 PolarHBondContact O-N 3.07Å
664K45.4Very low42.6Very low143 Ų14387.7 Ų87.762%0.62247%0.472SS*.  trans-90.5125.4169.9-77.8-173176179.30112.3
665G49.3Very low43.8Very low37 Ų3786.3 Ų86.338%0.38147%0.465SS..  trans87.5129.316300000116
666F48Very low44.8Very low31 Ų3179.9 Ų79.914%0.13644%0.44CS..SBendtrans-89.9-19.1175-114.9-111.8000117.8H244 W470 Y474 R475 L670H244-F666 VanDerWaalsContact O-CD2 3.29Å; H244-F666 WeakPolarHBondContact O-CD2 3.42Å; W470-F666 AromaticContact CH2-CE1 3.98Å; W470-F666 HydrophobicContact CH2-CE1 3.98Å; W470-F666 AromaticContact CZ3-CE1 3.84Å; W470-F666 HydrophobicContact CZ3-CE1 3.84Å; W470-F666 HydrophobicContact CZ3-CZ 4.41Å; Y474-F666 HydrophobicContact CD1-CE1 4.42Å; Y474-F666 AromaticContact CD1-CZ 3.83Å; Y474-F666 HydrophobicContact CD1-CZ 3.83Å; Y474-F666 HydrophobicContact CE1-CZ 4.48Å; Y474-F666 HydrophobicContact CG-CZ 4.36Å; R475-F666 HydrophobicContact CG-CE2 4.2Å; R475-F666 VanDerWaalsContact NH2-CD2 3.29Å; F666-L670 HydrophobicContact CD1-CD1 3.44Å; F666-L670 VanDerWaalsContact CD1-CD1 3.44Å; F666-L670 HydrophobicContact CE1-CD1 3.36Å; F666-L670 HydrophobicContact CG-CD1 4.31Å; F666-L670 HydrophobicContact CZ-CD1 4.21Å
667P48.2Very low46.5Very low128 Ų12876.8 Ų76.883%0.83142%0.424SS*.THydrogen-bonded Turntrans-75-46.9-160.4-15.427.4000117
668A42.1Very low48.4Very low84 Ų8476.1 Ų76.169%0.69441%0.414SS*.THydrogen-bonded Turntrans-98.3-30.3-170.100000113.1L670A668-L670 VanDerWaalsContact C-N 3.33Å; A668-L670 PolarHBondContact O-N 3.28Å
669D47.2Very low50.6Low89 Ų8969.6 Ų69.648%0.47638%0.381SS..THydrogen-bonded Turntrans-80.3-15.2-174.6-59.3-40.6000112.8I671 A672 L673D669-I671 VanDerWaalsContact C-N 3.32Å; D669-I671 PolarHBondContact O-N 3.49Å; D669-A672 PolarHBondContact O-N 2.85Å; D669-L673 HydrophobicContact CB-CD1 3.54Å; D669-L673 HydrophobicContact CB-CG 4.14Å; D669-L673 WeakPolarHBondContact O-CB 3.38Å; D669-L673 VanDerWaalsContact O-CD1 3.32Å; D669-L673 WeakPolarHBondContact O-CD1 3.18Å; D669-L673 WeakPolarHBondContact O-CG 3.17Å; D669-L673 PolarHBondContact O-N 3.46Å
670L45.9Very low53.1Low28 Ų2870.8 Ų70.815%0.14739%0.386CS..Hα-helixtrans-55.7-41.3-173.5-156.684.1000113.4Y474 F666 A668 L673 K674Y474-L670 HydrophobicContact CE1-CD1 3.95Å; F666-L670 HydrophobicContact CD1-CD1 3.44Å; F666-L670 VanDerWaalsContact CD1-CD1 3.44Å; F666-L670 HydrophobicContact CE1-CD1 3.36Å; F666-L670 HydrophobicContact CG-CD1 4.31Å; F666-L670 HydrophobicContact CZ-CD1 4.21Å; A668-L670 VanDerWaalsContact C-N 3.33Å; A668-L670 PolarHBondContact O-N 3.28Å; L670-L673 PolarHBondContact O-N 3.23Å; L670-K674 WeakPolarHBondContact O-CB 3.44Å; L670-K674 VanDerWaalsContact O-CG 3.29Å; L670-K674 WeakPolarHBondContact O-CG 3.39Å; L670-K674 PolarHBondContact O-N 3.18Å
671I47.1Very low55.7Low127 Ų12766.8 Ų66.865%0.65136%0.359SS*.Hα-helixtrans-69.7-47.7-176.1-62.2175.3000111.1D669 L673 K674 Q675D669-I671 VanDerWaalsContact C-N 3.32Å; D669-I671 PolarHBondContact O-N 3.49Å; I671-L673 VanDerWaalsContact C-N 3.28Å; I671-L673 PolarHBondContact O-N 2.84Å; I671-K674 PolarHBondContact O-N 3.39Å; I671-Q675 PolarHBondContact O-N 3Å
672A45.1Very low58Low53 Ų5361.8 Ų61.844%0.43834%0.344SS..Hα-helixtrans-64.1-36.7175.800000111.2D669 Q675 N676D669-A672 PolarHBondContact O-N 2.85Å; A672-Q675 PolarHBondContact O-N 3.06Å; A672-N676 PolarHBondContact O-N 3.15Å
673L52.8Low60.3Low31 Ų3159.4 Ų59.416%0.16233%0.329CS..Hα-helixtrans-68.9-39.7177.6-70.9169.3000113Q478 D669 L670 I671 Q675 N676 M677Q478-L673 HydrophobicContact CG-CD2 4.39Å; D669-L673 HydrophobicContact CB-CD1 3.54Å; D669-L673 HydrophobicContact CB-CG 4.14Å; D669-L673 WeakPolarHBondContact O-CB 3.38Å; D669-L673 VanDerWaalsContact O-CD1 3.32Å; D669-L673 WeakPolarHBondContact O-CD1 3.18Å; D669-L673 WeakPolarHBondContact O-CG 3.17Å; D669-L673 PolarHBondContact O-N 3.46Å; L670-L673 PolarHBondContact O-N 3.23Å; I671-L673 VanDerWaalsContact C-N 3.28Å; I671-L673 PolarHBondContact O-N 2.84Å; L673-Q675 VanDerWaalsContact C-N 3.25Å; L673-Q675 PolarHBondContact O-N 2.74Å; L673-N676 PolarHBondContact O-N 2.85Å; L673-N676 VanDerWaalsContact O-N 3.16Å; L673-M677 PolarHBondContact O-N 2.99Å
674K60.4Low62.5Low37 Ų3759 Ų5916%0.16133%0.327CS..Hα-helixtrans-58.9-38.7175.6-80.1-177179.8-179.20111.5E171 Y474 L670 I671 N676 M677E171-K674 VanDerWaalsContact OE1-CE 3.31Å; E171-K674 WeakPolarHBondContact OE1-CE 3.15Å; E171-K674 IonicContact OE1-NZ 2.78Å; E171-K674 PolarHBondContact OE1-NZ 3.13Å; E171-K674 IonicContact OE2-NZ 3.27Å; E171-K674 PolarHBondContact OE2-NZ 3.35Å; Y474-K674 HydrophobicContact CE2-CG 4.28Å; Y474-K674 WeakPolarHBondContact OH-CG 3.48Å; Y474-K674 PolarHBondContact OH-N 3.36Å; L670-K674 WeakPolarHBondContact O-CB 3.44Å; L670-K674 VanDerWaalsContact O-CG 3.29Å; L670-K674 WeakPolarHBondContact O-CG 3.39Å; L670-K674 PolarHBondContact O-N 3.18Å; I671-K674 PolarHBondContact O-N 3.39Å; K674-N676 VanDerWaalsContact C-N 3.34Å; K674-N676 PolarHBondContact O-N 3.14Å; K674-M677 PolarHBondContact O-N 3.47Å
675Q56.7Low64.8Low96 Ų9652.2 Ų52.245%0.44930%0.297SS..Hα-helixtrans-64.4-36.6177.7-68.2178.5-800112.4I671 A672 L673 M677 R678I671-Q675 PolarHBondContact O-N 3Å; A672-Q675 PolarHBondContact O-N 3.06Å; L673-Q675 VanDerWaalsContact C-N 3.25Å; L673-Q675 PolarHBondContact O-N 2.74Å; Q675-M677 VanDerWaalsContact C-N 3.32Å; Q675-M677 PolarHBondContact O-N 2.98Å; Q675-R678 VanDerWaalsContact O-CB 3.25Å; Q675-R678 WeakPolarHBondContact O-CB 3.44Å; Q675-R678 VanDerWaalsContact O-CG 3.26Å; Q675-R678 WeakPolarHBondContact O-CG 3.29Å; Q675-R678 PolarHBondContact O-N 3.15Å
676N53.9Low67.1Low59 Ų5950.4 Ų50.432%0.31628%0.279SS..Hα-helixtrans-71.9-23.9178.8-73-10.3000113.5G483 A672 L673 K674 R678G483-N676 PolarHBondContact O-ND2 3.27Å; A672-N676 PolarHBondContact O-N 3.15Å; L673-N676 PolarHBondContact O-N 2.85Å; L673-N676 VanDerWaalsContact O-N 3.16Å; K674-N676 VanDerWaalsContact C-N 3.34Å; K674-N676 PolarHBondContact O-N 3.14Å; N676-R678 PolarHBondContact O-N 2.91Å
677M64.4Low69.4Low19 Ų1949.6 Ų49.69%0.09428%0.276CS..THydrogen-bonded Turntrans-80.38.1175.9-60.4-165.3-48.100113.3Y474 M477 I481 L673 K674 Q675 S679Y474-M677 HydrophobicContact CD2-CE 3.8Å; Y474-M677 HydrophobicContact CE1-CE 4.18Å; Y474-M677 HydrophobicContact CE1-SD 4.4Å; Y474-M677 HydrophobicContact CE2-CE 3.12Å; Y474-M677 HydrophobicContact CE2-SD 4.21Å; Y474-M677 WeakPolarHBondContact OH-CE 3.47Å; M477-M677 HydrophobicContact CB-SD 3.96Å; I481-M677 HydrophobicContact CD1-CB 4.19Å; I481-M677 HydrophobicContact CD1-CG 4.28Å; L673-M677 PolarHBondContact O-N 2.99Å; K674-M677 PolarHBondContact O-N 3.47Å; Q675-M677 VanDerWaalsContact C-N 3.32Å; Q675-M677 PolarHBondContact O-N 2.98Å; M677-S679 PolarHBondContact O-N 3.46Å
678R69.6Low71.6Confident88 Ų8845.9 Ų45.933%0.33225%0.249SC..  trans-77.315.8-172.6-71.4-172.7173.9170.5-1.9115.9R160 E164 Q675 N676 E680R160-R678 PolarHBondContact NH1-O 2.97Å; E164-R678 VanDerWaalsContact CD-NH2 3.26Å; E164-R678 IonicContact OE1-CZ 3.33Å; E164-R678 IonicContact OE1-NE 3.55Å; E164-R678 PolarHBondContact OE1-NE 2.9Å; E164-R678 IonicContact OE1-NH2 3.22Å; E164-R678 PolarHBondContact OE1-NH2 2.71Å; E164-R678 IonicContact OE2-CZ 3.53Å; E164-R678 IonicContact OE2-NH2 2.69Å; E164-R678 PolarHBondContact OE2-NH2 2.7Å; Q675-R678 VanDerWaalsContact O-CB 3.25Å; Q675-R678 WeakPolarHBondContact O-CB 3.44Å; Q675-R678 VanDerWaalsContact O-CG 3.26Å; Q675-R678 WeakPolarHBondContact O-CG 3.29Å; Q675-R678 PolarHBondContact O-N 3.15Å; N676-R678 PolarHBondContact O-N 2.91Å; R678-E680 PolarHBondContact O-N 2.96Å
679S77.9Confident74.2Confident14 Ų1442 Ų4210%0.09822%0.217CC..  trans-62.5123.1-172.6-170.30000113.1Q452 P492 M677 D681Q452-S679 PolarHBondContact NE2-O 3.25Å; P492-S679 WeakPolarHBondContact CG-OG 3.16Å; M677-S679 PolarHBondContact O-N 3.46Å; S679-D681 WeakPolarHBondContact OG-CB 3.34Å; S679-D681 PolarHBondContact OG-N 3.29Å; S679-D681 VanDerWaalsContact OG-N 3.16Å
680E85.8Confident76.6Confident121 Ų12140.2 Ų40.257%0.56521%0.211SC*.  trans-89.711.4168.4-64.3176-168.400111.8L157 R678 P682L157-E680 HydrophobicContact CD1-CG 4.34Å; R678-E680 PolarHBondContact O-N 2.96Å; E680-P682 WeakPolarHBondContact O-CD 3.34Å
681D90.2Very high79.1Confident18 Ų1843 Ų4310%0.09623%0.226CC..  trans-64.5116.9177.7-171.4-21.3000110.2Y383 S679 F683 I684 S685Y383-D681 WeakPolarHBondContact CE1-OD2 3.18Å; Y383-D681 PolarHBondContact OH-OD2 2.55Å; S679-D681 WeakPolarHBondContact OG-CB 3.34Å; S679-D681 PolarHBondContact OG-N 3.29Å; S679-D681 VanDerWaalsContact OG-N 3.16Å; D681-F683 PolarHBondContact O-N 2.93Å; D681-F683 VanDerWaalsContact O-N 3.13Å; D681-F683 WeakPolarHBondContact OD1-CB 3.35Å; D681-F683 WeakPolarHBondContact OD1-CD2 3.31Å; D681-F683 PolarHBondContact OD1-N 3.26Å; D681-I684 HydrophobicContact CB-CB 4.43Å; D681-I684 HydrophobicContact CB-CD1 4.28Å; D681-I684 HydrophobicContact CB-CG1 4.15Å; D681-I684 PolarHBondContact O-N 2.93Å; D681-S685 PolarHBondContact O-N 2.82Å
682P94.3Very high81.5Confident29 Ų2943.6 Ų43.619%0.18823%0.226CC..THydrogen-bonded Turntrans-65.9-14.4-178.929.5-37.2000113.2E680 S685 P686 A689E680-P682 WeakPolarHBondContact O-CD 3.34Å; P682-S685 WeakPolarHBondContact CA-O 3.39Å; P682-S685 CarbonylContact O-C 3.54Å; P682-S685 VanDerWaalsContact O-C 3.23Å; P682-P686 WeakPolarHBondContact O-CA 3.05Å; P682-P686 VanDerWaalsContact O-N 3.09Å; P682-A689 HydrophobicContact CB-CB 3.96Å
683F94.5Very high84Confident6 Ų642.7 Ų42.73%0.02621%0.214CC..THydrogen-bonded Turntrans-83.3-16.2173.7-52.1-62.2000112.9Y383 I387 S425 L428 K429 E432 D681Y383-F683 HydrophobicContact CE2-CB 4.25Å; I387-F683 HydrophobicContact CD1-CB 4.1Å; S425-F683 VanDerWaalsContact CB-O 3.29Å; S425-F683 WeakPolarHBondContact CB-O 3.48Å; S425-F683 PolarHBondContact OG-O 3.21Å; L428-F683 HydrophobicContact CB-CD1 4.07Å; L428-F683 HydrophobicContact CB-CE1 3.83Å; K429-F683 HydrophobicContact CB-CD1 4.19Å; K429-F683 HydrophobicContact CB-CE1 3.92Å; K429-F683 HydrophobicContact CD-CE1 4.01Å; K429-F683 HydrophobicContact CD-CE2 4.36Å; K429-F683 HydrophobicContact CD-CZ 3.92Å; E432-F683 HydrophobicContact CB-CZ 4.21Å; E432-F683 HydrophobicContact CG-CZ 4.39Å; E432-F683 VanDerWaalsContact OE2-CZ 3.27Å; E432-F683 WeakPolarHBondContact OE2-CZ 3.38Å; D681-F683 PolarHBondContact O-N 2.93Å; D681-F683 VanDerWaalsContact O-N 3.13Å; D681-F683 WeakPolarHBondContact OD1-CB 3.35Å; D681-F683 WeakPolarHBondContact OD1-CD2 3.31Å; D681-F683 PolarHBondContact OD1-N 3.26Å
684I93.6Very high86.2Confident1 Ų141.2 Ų41.21%0.00521%0.206CC..THydrogen-bonded Turntrans-88.6-41.6167.5-61.7-175.8000109.9Y383 L421 F451 I481 P492 D681Y383-I684 HydrophobicContact CD1-CD1 3.68Å; Y383-I684 HydrophobicContact CD1-CG1 4Å; Y383-I684 HydrophobicContact CD2-CD1 4.36Å; Y383-I684 HydrophobicContact CD2-CG1 3.83Å; Y383-I684 HydrophobicContact CE1-CD1 3.83Å; Y383-I684 HydrophobicContact CE1-CG1 3.9Å; Y383-I684 HydrophobicContact CE2-CG1 3.79Å; Y383-I684 HydrophobicContact CG-CD1 3.96Å; Y383-I684 HydrophobicContact CG-CG1 3.95Å; L421-I684 WeakPolarHBondContact CD1-O 3.45Å; F451-I684 HydrophobicContact CB-CG2 4.33Å; F451-I684 VanDerWaalsContact CB-O 3.3Å; F451-I684 WeakPolarHBondContact CB-O 3.29Å; F451-I684 HydrophobicContact CD1-CG2 4.26Å; I481-I684 HydrophobicContact CD1-CG2 4.33Å; I481-I684 HydrophobicContact CG1-CG2 4.15Å; P492-I684 HydrophobicContact CB-CD1 4.22Å; P492-I684 HydrophobicContact CG-CD1 4.33Å; D681-I684 HydrophobicContact CB-CB 4.43Å; D681-I684 HydrophobicContact CB-CD1 4.28Å; D681-I684 HydrophobicContact CB-CG1 4.15Å; D681-I684 PolarHBondContact O-N 2.93Å
685S95Very high88Confident0 Ų042 Ų420%022%0.22CC..  trans-127.489.5177.9-66.20000110.6F449 F451 D681 P682 L687 L688F449-S685 CarbonylContact O-C 3.54Å; F449-S685 WeakPolarHBondContact O-CA 3.46Å; F451-S685 PolarHBondContact N-OG 3.39Å; D681-S685 PolarHBondContact O-N 2.82Å; P682-S685 WeakPolarHBondContact CA-O 3.39Å; P682-S685 CarbonylContact O-C 3.54Å; P682-S685 VanDerWaalsContact O-C 3.23Å; S685-L687 PolarHBondContact O-N 3.39Å; S685-L688 WeakPolarHBondContact O-CB 3.43Å; S685-L688 PolarHBondContact O-N 3.16Å
686P97.2Very high89.9Confident0 Ų041.5 Ų41.50%022%0.217CC..G310 helixtrans-51.1-27177.2-32.538.1000114.9L421 T424 S425 L428 F449 P682 L688 A689 F717L421-P686 HydrophobicContact CG-CG 4.5Å; T424-P686 HydrophobicContact CG2-CB 3.65Å; T424-P686 HydrophobicContact CG2-CG 3.84Å; S425-P686 WeakPolarHBondContact OG-CG 3.3Å; L428-P686 HydrophobicContact CD1-CB 3.79Å; L428-P686 HydrophobicContact CD1-CG 4.23Å; F449-P686 HydrophobicContact CD1-CB 4.42Å; F449-P686 WeakPolarHBondContact O-CD 3.43Å; P682-P686 WeakPolarHBondContact O-CA 3.05Å; P682-P686 VanDerWaalsContact O-N 3.09Å; P686-L688 PolarHBondContact O-N 3.33Å; P686-L688 VanDerWaalsContact O-N 3.13Å; P686-A689 VanDerWaalsContact O-CB 3.28Å; P686-A689 WeakPolarHBondContact O-CB 3.35Å; P686-A689 PolarHBondContact O-N 2.91Å; P686-F717 HydrophobicContact CB-CE2 4.06Å
687L95.8Very high92Very high14 Ų1439.2 Ų39.27%0.07321%0.205CC..G310 helixtrans-63.4-13.7174.6-163.666.3000113.6F154 F449 L450 S685 T716 F717 R720F154-L687 HydrophobicContact CD2-CD2 3.94Å; F154-L687 HydrophobicContact CE2-CD2 3.85Å; F449-L687 HydrophobicContact CB-CB 4.23Å; F449-L687 WeakPolarHBondContact O-CB 3.29Å; F449-L687 PolarHBondContact O-N 3.1Å; L450-L687 HydrophobicContact CB-CB 4.17Å; L450-L687 HydrophobicContact CB-CD2 3.75Å; L450-L687 HydrophobicContact CD2-CD2 4.18Å; L450-L687 HydrophobicContact CG-CD2 4.39Å; S685-L687 PolarHBondContact O-N 3.39Å; L687-T716 HydrophobicContact CD1-CG2 3.86Å; L687-T716 HydrophobicContact CD2-CG2 4.02Å; L687-T716 HydrophobicContact CG-CG2 4.38Å; L687-F717 HydrophobicContact CD1-CB 3.86Å; L687-F717 HydrophobicContact CD1-CD2 4Å; L687-F717 HydrophobicContact CD1-CG 4.45Å; L687-R720 PolarHBondContact O-NH1 3.04Å
688L94.8Very high93.6Very high50 Ų5038.7 Ų38.726%0.26220%0.203SC..G310 helixtrans-99.41.7175.7-57.4-178000113.4L157 L450 S685 P686L157-L688 HydrophobicContact CD1-CD2 4.4Å; L450-L688 HydrophobicContact CD1-CD1 4.46Å; L450-L688 HydrophobicContact CD1-CD2 4.21Å; L450-L688 HydrophobicContact CD1-CG 4.18Å; S685-L688 WeakPolarHBondContact O-CB 3.43Å; S685-L688 PolarHBondContact O-N 3.16Å; P686-L688 PolarHBondContact O-N 3.33Å; P686-L688 VanDerWaalsContact O-N 3.13Å
689A96.7Very high95Very high2 Ų236.6 Ų36.62%0.01720%0.201CC..SBendtrans-59.2148175.200000111.3L428 P682 P686 L693 L694 R720L428-A689 HydrophobicContact CD1-CB 3.9Å; L428-A689 HydrophobicContact CD2-CB 3.94Å; P682-A689 HydrophobicContact CB-CB 3.96Å; P686-A689 VanDerWaalsContact O-CB 3.28Å; P686-A689 WeakPolarHBondContact O-CB 3.35Å; P686-A689 PolarHBondContact O-N 2.91Å; A689-L693 HydrophobicContact CB-CB 4.46Å; A689-L694 HydrophobicContact CB-CD2 3.99Å; A689-L694 HydrophobicContact CB-CG 3.95Å; A689-R720 VanDerWaalsContact O-CZ 3.25Å; A689-R720 PolarHBondContact O-NH1 3.12Å; A689-R720 PolarHBondContact O-NH2 3.38Å
690S97.5Very high96Very high51 Ų5135.9 Ų35.936%0.35720%0.196SC..  trans-69.2157.8175.182.70000111E692 L693 L694S690-E692 WeakPolarHBondContact CB-OE2 3.41Å; S690-E692 PolarHBondContact O-N 2.97Å; S690-E692 PolarHBondContact OG-OE2 3.39Å; S690-L693 PolarHBondContact O-N 3.25Å; S690-L693 VanDerWaalsContact O-N 3.15Å; S690-L693 PolarHBondContact OG-N 3.42Å; S690-L694 PolarHBondContact O-N 2.97Å
691D98.1Very high96.6Very high87 Ų8730.1 Ų30.147%0.46517%0.169SC..Hα-helixtrans-62.6-31179.8-69.4-13.7000111.6L694 A695 R720 V724D691-L694 PolarHBondContact O-N 3.22Å; D691-A695 VanDerWaalsContact O-CB 3.27Å; D691-A695 WeakPolarHBondContact O-CB 3.45Å; D691-A695 PolarHBondContact O-N 3.16Å; D691-R720 IonicContact OD1-CZ 3.71Å; D691-R720 IonicContact OD1-NE 3.11Å; D691-R720 IonicContact OD1-NH2 2.95Å; D691-R720 PolarHBondContact OD1-NH2 3.44Å; D691-V724 HydrophobicContact CB-CG1 3.79Å
692E97.7Very high97Very high139 Ų13929.3 Ų29.365%0.6517%0.165SC*.Hα-helixtrans-64.6-41.4175.1-56.677-165.400112.1S690S690-E692 WeakPolarHBondContact CB-OE2 3.41Å; S690-E692 PolarHBondContact O-N 2.97Å; S690-E692 PolarHBondContact OG-OE2 3.39Å
693L97.1Very high97.2Very high35 Ų3528 Ų2818%0.18316%0.156CC..Hα-helixtrans-69.2-40.9175.6-73.7176.8000111.3L428 I431 E432 A689 S690 E696L428-L693 HydrophobicContact CD2-CB 4.2Å; I431-L693 HydrophobicContact CG2-CD2 3.84Å; E432-L693 HydrophobicContact CB-CD2 4.29Å; A689-L693 HydrophobicContact CB-CB 4.46Å; S690-L693 PolarHBondContact O-N 3.25Å; S690-L693 VanDerWaalsContact O-N 3.15Å; S690-L693 PolarHBondContact OG-N 3.42Å; L693-E696 PolarHBondContact O-N 3.33Å
694L98Very high97.3Very high0 Ų027.7 Ų27.70%015%0.154CC..Hα-helixtrans-67.5-37.9179.8-71.9178.5000112.2L428 A689 S690 D691 E696 M697 F717 R720 L721 V724 V726L428-L694 HydrophobicContact CD2-CD2 4.13Å; A689-L694 HydrophobicContact CB-CD2 3.99Å; A689-L694 HydrophobicContact CB-CG 3.95Å; S690-L694 PolarHBondContact O-N 2.97Å; D691-L694 PolarHBondContact O-N 3.22Å; L694-E696 PolarHBondContact O-N 3.12Å; L694-E696 VanDerWaalsContact O-N 3.11Å; L694-M697 HydrophobicContact CD2-CG 4.25Å; L694-M697 VanDerWaalsContact O-CB 3.22Å; L694-M697 WeakPolarHBondContact O-CB 3.36Å; L694-M697 VanDerWaalsContact O-CG 3.31Å; L694-M697 WeakPolarHBondContact O-CG 3.26Å; L694-M697 PolarHBondContact O-N 2.94Å; L694-F717 HydrophobicContact CD2-CE2 3.83Å; L694-F717 HydrophobicContact CD2-CZ 4.22Å; L694-R720 HydrophobicContact CD1-CB 4.08Å; L694-L721 HydrophobicContact CD2-CD2 4.29Å; L694-V724 HydrophobicContact CB-CG2 4.04Å; L694-V726 WeakPolarHBondContact O-CG2 3.45Å
695A98.2Very high97.4Very high53 Ų5327.7 Ų27.744%0.43816%0.155SC..Hα-helixtrans-60.3-22.4-178.600000113.7D691 V724D691-A695 VanDerWaalsContact O-CB 3.27Å; D691-A695 WeakPolarHBondContact O-CB 3.45Å; D691-A695 PolarHBondContact O-N 3.16Å; A695-V724 HydrophobicContact CB-CB 4.21Å; A695-V724 HydrophobicContact CB-CG2 4.49Å
696E97.8Very high97.4Very high85 Ų8528.5 Ų28.540%0.39716%0.159SC..THydrogen-bonded Turntrans-94.23.1176.7-67.9-165.2-123.400113.7K293 I431 L693 L694K293-E696 IonicContact NZ-OE2 3.94Å; K293-E696 PolarHBondContact NZ-OE2 3.29Å; I431-E696 HydrophobicContact CB-CB 4.46Å; I431-E696 VanDerWaalsContact CD1-C 3.47Å; I431-E696 HydrophobicContact CD1-CB 3.97Å; I431-E696 WeakPolarHBondContact CD1-O 3.49Å; I431-E696 HydrophobicContact CG1-CB 3.98Å; I431-E696 HydrophobicContact CG2-CB 3.63Å; I431-E696 HydrophobicContact CG2-CG 4.27Å; L693-E696 PolarHBondContact O-N 3.33Å; L694-E696 PolarHBondContact O-N 3.12Å; L694-E696 VanDerWaalsContact O-N 3.11Å
697M98.4Very high97.3Very high11 Ų1128.6 Ų28.65%0.05416%0.159CC..PPolyproline II helixtrans-60142.3178.1-77.3-71.1-6900111.8T424 C427 L428 I431 L442 L694 L721 V726T424-M697 HydrophobicContact CG2-CE 4.07Å; C427-M697 HydrophobicContact CB-CE 3.75Å; C427-M697 HydrophobicContact CB-SD 3.53Å; C427-M697 VanDerWaalsContact CB-SD 3.53Å; L428-M697 HydrophobicContact CD2-CG 4.32Å; L428-M697 HydrophobicContact CD2-SD 3.78Å; L428-M697 HydrophobicContact CG-SD 4.14Å; I431-M697 HydrophobicContact CD1-CG 4.2Å; I431-M697 HydrophobicContact CD1-SD 3.9Å; L442-M697 HydrophobicContact CD2-CE 3.77Å; L694-M697 HydrophobicContact CD2-CG 4.25Å; L694-M697 VanDerWaalsContact O-CB 3.22Å; L694-M697 WeakPolarHBondContact O-CB 3.36Å; L694-M697 VanDerWaalsContact O-CG 3.31Å; L694-M697 WeakPolarHBondContact O-CG 3.26Å; L694-M697 PolarHBondContact O-N 2.94Å; M697-L721 HydrophobicContact CB-CD2 4.27Å; M697-L721 HydrophobicContact CG-CD2 4.33Å; M697-V726 HydrophobicContact CB-CG1 4.19Å; M697-V726 HydrophobicContact CB-CG2 4.22Å
698P98.3Very high97.3Very high8 Ų828 Ų285%0.05216%0.156CC..PPolyproline II helixtrans-65.7163.6173.231.1-36.4000111C427 P439 L442 T700C427-P698 HydrophobicContact CB-CG 4.43Å; P439-P698 WeakPolarHBondContact O-CB 3.44Å; L442-P698 HydrophobicContact CB-CG 4.36Å; P698-T700 PolarHBondContact O-N 2.98Å; P698-T700 VanDerWaalsContact O-N 3.13Å; P698-T700 PolarHBondContact O-OG1 3.44Å
699P98.5Very high97.3Very high44 Ų4425.7 Ų25.729%0.28614%0.144SC..PPolyproline II helixtrans-47.6123.2172.1-28.334.7000111.8D440 A441 L442 S727 Y764D440-P699 WeakPolarHBondContact O-CD 3.45Å; A441-P699 CarbonylContact C-O 3.54Å; A441-P699 VanDerWaalsContact CA-O 3.27Å; A441-P699 WeakPolarHBondContact CA-O 3.43Å; L442-P699 PolarHBondContact N-O 3.41Å; P699-S727 CarbonylContact C-O 3.44Å; P699-S727 WeakPolarHBondContact CA-O 3.49Å; P699-Y764 HydrophobicContact CB-CD1 4.34Å; P699-Y764 HydrophobicContact CB-CE1 3.53Å
700T98.7Very high97.3Very high0 Ų026 Ų260%015%0.145CC..EExtended strand (participates in β ladder)trans-123.9121.3-168.5-62.10000112.1L442 V444 P698 I702 L721 S727 H728 T729L442-T700 HydrophobicContact CB-CG2 4.28Å; L442-T700 HydrophobicContact CD2-CG2 3.95Å; L442-T700 HydrophobicContact CG-CG2 4.13Å; L442-T700 CarbonylContact O-C 3.59Å; L442-T700 VanDerWaalsContact O-CA 3.25Å; L442-T700 WeakPolarHBondContact O-CA 3.29Å; V444-T700 HydrophobicContact CG2-CG2 4.43Å; P698-T700 PolarHBondContact O-N 2.98Å; P698-T700 VanDerWaalsContact O-N 3.13Å; P698-T700 PolarHBondContact O-OG1 3.44Å; T700-I702 HydrophobicContact CG2-CG1 3.99Å; T700-L721 HydrophobicContact CG2-CD1 4Å; T700-S727 PolarHBondContact N-O 3.29Å; T700-H728 CarbonylContact O-C 3.53Å; T700-H728 WeakPolarHBondContact O-CA 3.48Å; T700-H728 WeakPolarHBondContact O-CB 3.37Å; T700-T729 PolarHBondContact O-N 3.45Å
701S98.5Very high97.3Very high0 Ų023.7 Ų23.70%013%0.129CC..EExtended strand (participates in β ladder)trans-97.8125.2169.2-74.10000110.8L442 V443 V444 T729 Y764L442-S701 PolarHBondContact O-N 3.36Å; V443-S701 WeakPolarHBondContact CA-O 3.38Å; V444-S701 WeakPolarHBondContact CG2-O 3.49Å; V444-S701 PolarHBondContact N-O 3.18Å; S701-T729 WeakPolarHBondContact CA-OG1 3.4Å; S701-T729 VanDerWaalsContact CB-OG1 3.23Å; S701-T729 WeakPolarHBondContact CB-OG1 3.49Å; S701-T729 PolarHBondContact OG-OG1 2.95Å; S701-Y764 WeakPolarHBondContact OG-CE2 3.25Å; S701-Y764 PolarHBondContact OG-OH 2.99Å
702I98.6Very high97.3Very high1 Ų119.5 Ų19.51%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-112.6116.2179.1-57.9165.9000108.3V444 F449 T700 F717 A718 L721 T729 F730 D731V444-I702 HydrophobicContact CG2-CG1 4.07Å; F449-I702 HydrophobicContact CE2-CG2 4.12Å; F449-I702 HydrophobicContact CZ-CG1 4.34Å; F449-I702 HydrophobicContact CZ-CG2 4.4Å; T700-I702 HydrophobicContact CG2-CG1 3.99Å; I702-F717 HydrophobicContact CD1-CD1 3.69Å; I702-F717 HydrophobicContact CD1-CE1 4.38Å; I702-A718 HydrophobicContact CD1-CB 3.75Å; I702-L721 HydrophobicContact CD1-CD1 4.03Å; I702-T729 PolarHBondContact N-O 3.44Å; I702-F730 HydrophobicContact CB-CD2 4.18Å; I702-F730 HydrophobicContact CG2-CD2 4.04Å; I702-F730 HydrophobicContact CG2-CE2 4.24Å; I702-F730 WeakPolarHBondContact O-CA 3.47Å; I702-D731 PolarHBondContact O-N 2.82Å
703L97.7Very high97.3Very high0 Ų012.9 Ų12.90%08%0.076CC..EExtended strand (participates in β ladder)trans-101.1111.8171.8-63.694.9000109V443 V444 A445 Y446 D731 L733 T756 C757V443-L703 HydrophobicContact CG1-CD1 3.75Å; V444-L703 PolarHBondContact O-N 3.24Å; A445-L703 CarbonylContact C-O 3.59Å; A445-L703 WeakPolarHBondContact CA-O 3.44Å; A445-L703 HydrophobicContact CB-CB 4.26Å; Y446-L703 PolarHBondContact N-O 2.82Å; L703-D731 HydrophobicContact CG-CB 4.19Å; L703-L733 HydrophobicContact CB-CD1 4.35Å; L703-L733 HydrophobicContact CD2-CD1 4.23Å; L703-T756 HydrophobicContact CD2-CG2 4.18Å; L703-C757 HydrophobicContact CD1-CB 4.46Å; L703-C757 HydrophobicContact CD2-CB 3.8Å
704A97.9Very high97.3Very high0 Ų011.3 Ų11.30%07%0.067CC..EExtended strand (participates in β ladder)trans-109.4151.9-179.700000110.8L711 F730 D731 L732 L733A704-L711 HydrophobicContact CB-CD1 3.81Å; A704-F730 HydrophobicContact CB-CE2 3.76Å; A704-F730 HydrophobicContact CB-CZ 3.9Å; A704-D731 PolarHBondContact N-O 3.23Å; A704-L732 HydrophobicContact CB-CD1 4.22Å; A704-L733 WeakPolarHBondContact O-CB 3.48Å; A704-L733 PolarHBondContact O-N 3.1Å
705C96Very high97.3Very high1 Ų111.3 Ų11.31%0.0077%0.067CC..EExtended strand (participates in β ladder)trans-104.2131177-67.50000109.7L707 D708 F740C705-L707 VanDerWaalsContact C-N 3.3Å; C705-L707 PolarHBondContact O-N 2.82Å; C705-D708 HydrophobicContact CB-CB 3.53Å; C705-D708 WeakPolarHBondContact O-CB 3.49Å; C705-D708 PolarHBondContact O-N 3.2Å; C705-F740 VanDerWaalsContact SG-CD1 3.54Å
706H94.5Very high97.2Very high18 Ų189.1 Ų9.18%0.0835%0.049CC..THydrogen-bonded Turntrans-61.7-34.9-176.8177.852.2000113.4S86 S89 L732 L733 D734S86-H706 VanDerWaalsContact CB-O 3.23Å; S86-H706 WeakPolarHBondContact CB-O 3.45Å; S86-H706 PolarHBondContact OG-O 3.37Å; S89-H706 WeakPolarHBondContact CB-NE2 3.32Å; S89-H706 PolarHBondContact OG-NE2 3.39Å; H706-L732 HydrophobicContact CB-CD1 4.16Å; H706-L732 HydrophobicContact CB-CG 4.36Å; H706-L733 PolarHBondContact N-O 2.64Å; H706-D734 WeakPolarHBondContact CB-OD1 3.47Å; H706-D734 IonicContact CD2-OD1 2.77Å; H706-D734 IonicContact CG-OD1 2.79Å
707L93.7Very high97.2Very high2 Ų25.1 Ų5.11%0.013%0.03CC..THydrogen-bonded Turntrans-10840.7-179.7-64.3178000112.1Q186 F187 L461 C705Q186-L707 HydrophobicContact CB-CD1 4.01Å; Q186-L707 HydrophobicContact CG-CD1 4.15Å; Q186-L707 WeakPolarHBondContact O-CD1 3.38Å; F187-L707 HydrophobicContact CE1-CB 3.94Å; F187-L707 HydrophobicContact CE1-CD1 4.5Å; F187-L707 HydrophobicContact CZ-CB 4.47Å; L461-L707 HydrophobicContact CD2-CD2 4.25Å; C705-L707 VanDerWaalsContact C-N 3.3Å; C705-L707 PolarHBondContact O-N 2.82Å
708D95.9Very high97.2Very high1 Ų14.6 Ų4.61%0.0053%0.027CC..  trans-110.7132.9178.6-176.2-24.6000110.8Y446 L461 C705 L710 L711 H738Y446-D708 WeakPolarHBondContact CB-OD2 3.35Å; L461-D708 WeakPolarHBondContact CD1-O 3.3Å; C705-D708 HydrophobicContact CB-CB 3.53Å; C705-D708 WeakPolarHBondContact O-CB 3.49Å; C705-D708 PolarHBondContact O-N 3.2Å; D708-L710 PolarHBondContact O-N 3.12Å; D708-L710 WeakPolarHBondContact OD1-CB 3.33Å; D708-L710 PolarHBondContact OD1-N 3.43Å; D708-L711 WeakPolarHBondContact O-CB 3.32Å; D708-L711 PolarHBondContact O-N 3.27Å; D708-L711 VanDerWaalsContact O-N 3.07Å; D708-H738 IonicContact OD1-ND1 2.78Å; D708-H738 WeakPolarHBondContact OD2-CB 3.45Å; D708-H738 IonicContact OD2-CE1 3.66Å; D708-H738 IonicContact OD2-CG 2.76Å; D708-H738 IonicContact OD2-ND1 3.78Å; D708-H738 PolarHBondContact OD2-ND1 3.13Å
709P96Very high97.2Very high2 Ų25.5 Ų5.51%0.0133%0.03CC..THydrogen-bonded Turntrans-50.1-26.6172-27.533.9000115.7S458 R459 L461 D465 I468S458-P709 CarbonylContact C-O 3.23Å; S458-P709 WeakPolarHBondContact CB-O 3.25Å; S458-P709 WeakPolarHBondContact O-CA 3.26Å; S458-P709 PolarHBondContact OG-O 3.45Å; R459-P709 WeakPolarHBondContact CD-O 3.4Å; L461-P709 HydrophobicContact CB-CB 4.48Å; L461-P709 HydrophobicContact CB-CG 4Å; D465-P709 HydrophobicContact CB-CG 3.92Å; I468-P709 HydrophobicContact CD1-CB 4.26Å; I468-P709 HydrophobicContact CD1-CG 3.94Å; I468-P709 HydrophobicContact CG1-CG 4.15Å
710L96.5Very high97.1Very high9 Ų95.8 Ų5.85%0.0473%0.026CC..THydrogen-bonded Turntrans-94.48.5-177.5-52.3178.8000113.9P448 I468 D708 D712 D713 S714P448-L710 HydrophobicContact CB-CD1 3.78Å; P448-L710 HydrophobicContact CB-CD2 4Å; P448-L710 HydrophobicContact CB-CG 4.45Å; P448-L710 HydrophobicContact CG-CD1 4.39Å; I468-L710 HydrophobicContact CD1-CD1 4.33Å; I468-L710 HydrophobicContact CD1-CG 4.23Å; D708-L710 PolarHBondContact O-N 3.12Å; D708-L710 WeakPolarHBondContact OD1-CB 3.33Å; D708-L710 PolarHBondContact OD1-N 3.43Å; L710-D712 VanDerWaalsContact C-N 3.34Å; L710-D712 PolarHBondContact O-N 3.04Å; L710-D713 WeakPolarHBondContact O-CB 3.46Å; L710-D713 PolarHBondContact O-N 3.12Å; L710-S714 PolarHBondContact O-N 3.09Å
711L97.7Very high97.1Very high1 Ų15.8 Ų5.81%0.0053%0.026CC..Hα-helixtrans-57.1-45.9-178.5173.460.7000112.5S86 A704 D708 D713 S714 V715 L732S86-L711 WeakPolarHBondContact OG-CD2 3.34Å; A704-L711 HydrophobicContact CB-CD1 3.81Å; D708-L711 WeakPolarHBondContact O-CB 3.32Å; D708-L711 PolarHBondContact O-N 3.27Å; D708-L711 VanDerWaalsContact O-N 3.07Å; L711-D713 PolarHBondContact O-N 3.09Å; L711-S714 WeakPolarHBondContact O-CB 3.25Å; L711-S714 PolarHBondContact O-N 2.82Å; L711-V715 HydrophobicContact CD1-CG2 3.89Å; L711-V715 HydrophobicContact CG-CG2 4.16Å; L711-V715 PolarHBondContact O-N 3.06Å; L711-L732 HydrophobicContact CD1-CD1 3.44Å; L711-L732 VanDerWaalsContact CD1-CD1 3.44Å; L711-L732 HydrophobicContact CD2-CD1 4.46Å
712D97.2Very high97Very high0 Ų010.4 Ų10.40%04%0.043CC..Hα-helixtrans-64.2-29.7-175.5-70.7-20000112.1G83 L153 F154 S456 A457 S458 L710 S714 T716G83-D712 WeakPolarHBondContact CA-OD1 3.4Å; G83-D712 PolarHBondContact N-OD1 3Å; L153-D712 HydrophobicContact CB-CB 4.04Å; L153-D712 HydrophobicContact CD1-CB 3.98Å; L153-D712 HydrophobicContact CG-CB 4.42Å; F154-D712 HydrophobicContact CE1-CB 4.43Å; F154-D712 HydrophobicContact CE2-CB 4.07Å; F154-D712 HydrophobicContact CZ-CB 3.73Å; S456-D712 WeakPolarHBondContact CB-OD2 3.45Å; S456-D712 PolarHBondContact OG-OD2 3.32Å; A457-D712 PolarHBondContact N-OD2 2.88Å; S458-D712 WeakPolarHBondContact CB-OD2 3.43Å; S458-D712 PolarHBondContact N-OD2 3.45Å; S458-D712 VanDerWaalsContact OG-CB 3.31Å; S458-D712 WeakPolarHBondContact OG-CB 3.35Å; S458-D712 PolarHBondContact OG-N 3.19Å; S458-D712 PolarHBondContact OG-OD2 3.02Å; L710-D712 VanDerWaalsContact C-N 3.34Å; L710-D712 PolarHBondContact O-N 3.04Å; D712-S714 VanDerWaalsContact C-N 3.33Å; D712-T716 WeakPolarHBondContact O-CB 3.42Å; D712-T716 PolarHBondContact O-N 3.32Å; D712-T716 PolarHBondContact O-OG1 2.71Å
713D97.3Very high97Very high0 Ų015.8 Ų15.80%07%0.072CC..Hα-helixtrans-58.7-48.4171.5-60.450.2000110.4F154 F449 L450 R459 L710 L711 F717F154-D713 WeakPolarHBondContact CZ-OD1 3.25Å; F449-D713 HydrophobicContact CB-CB 4.29Å; F449-D713 HydrophobicContact CD2-CB 4.27Å; F449-D713 PolarHBondContact N-OD2 3.07Å; L450-D713 WeakPolarHBondContact CA-OD2 3.25Å; L450-D713 WeakPolarHBondContact CB-OD2 3.26Å; L450-D713 PolarHBondContact N-OD2 2.98Å; R459-D713 IonicContact CZ-OD1 3.94Å; R459-D713 IonicContact NE-OD1 3.33Å; R459-D713 IonicContact NH2-OD1 2.82Å; R459-D713 PolarHBondContact NH2-OD1 3.38Å; R459-D713 IonicContact NH2-OD2 3.89Å; R459-D713 PolarHBondContact NH2-OD2 2.81Å; L710-D713 WeakPolarHBondContact O-CB 3.46Å; L710-D713 PolarHBondContact O-N 3.12Å; L711-D713 PolarHBondContact O-N 3.09Å; D713-F717 WeakPolarHBondContact O-CB 3.24Å; D713-F717 PolarHBondContact O-N 3.35Å
714S98.2Very high97Very high1 Ų117.4 Ų17.41%0.0078%0.082CC..Hα-helixtrans-68.8-41.8-176.8-61.30000111.6L710 L711 D712 A718L710-S714 PolarHBondContact O-N 3.09Å; L711-S714 WeakPolarHBondContact O-CB 3.25Å; L711-S714 PolarHBondContact O-N 2.82Å; D712-S714 VanDerWaalsContact C-N 3.33Å; S714-A718 VanDerWaalsContact O-CB 3.24Å; S714-A718 WeakPolarHBondContact O-CB 3.47Å; S714-A718 PolarHBondContact O-N 2.92Å
715V97.9Very high97Very high0 Ų020.5 Ų20.50%011%0.114CC..Hα-helixtrans-62.5-48.8176.3173.80000110.3L153 L711 A718 K719 F730L153-V715 HydrophobicContact CD1-CB 3.81Å; L153-V715 HydrophobicContact CD1-CG1 3.6Å; L711-V715 HydrophobicContact CD1-CG2 3.89Å; L711-V715 HydrophobicContact CG-CG2 4.16Å; L711-V715 PolarHBondContact O-N 3.06Å; V715-A718 PolarHBondContact O-N 2.87Å; V715-K719 HydrophobicContact CG1-CD 4.36Å; V715-K719 WeakPolarHBondContact O-CG 3.43Å; V715-K719 PolarHBondContact O-N 3.36Å; V715-F730 HydrophobicContact CG2-CE1 4.37Å; V715-F730 HydrophobicContact CG2-CE2 4.36Å; V715-F730 HydrophobicContact CG2-CZ 3.66Å
716T97Very high97.1Very high8 Ų821 Ų215%0.04912%0.117CC..Hα-helixtrans-65.9-44.1-178.1-47.90000110.7F154 L687 D712 A718 K719 R720F154-T716 HydrophobicContact CD2-CG2 4.45Å; L687-T716 HydrophobicContact CD1-CG2 3.86Å; L687-T716 HydrophobicContact CD2-CG2 4.02Å; L687-T716 HydrophobicContact CG-CG2 4.38Å; D712-T716 WeakPolarHBondContact O-CB 3.42Å; D712-T716 PolarHBondContact O-N 3.32Å; D712-T716 PolarHBondContact O-OG1 2.71Å; T716-A718 PolarHBondContact O-N 3.05Å; T716-K719 PolarHBondContact O-N 3.03Å; T716-R720 WeakPolarHBondContact O-CG 3.3Å; T716-R720 PolarHBondContact O-N 3.12Å
717F98.1Very high97.3Very high0 Ų024.1 Ų24.10%014%0.14CC..Hα-helixtrans-61.9-43.2177.7-167.4-112.8000111.9T424 F449 P686 L687 L694 I702 D713 K719 R720 L721T424-F717 HydrophobicContact CG2-CE1 4.1Å; T424-F717 HydrophobicContact CG2-CE2 4.41Å; T424-F717 HydrophobicContact CG2-CZ 3.63Å; F449-F717 HydrophobicContact CB-CB 4.11Å; F449-F717 HydrophobicContact CB-CD2 4.23Å; F449-F717 HydrophobicContact CB-CG 4.15Å; F449-F717 HydrophobicContact CD1-CB 4.37Å; F449-F717 AromaticContact CD1-CD1 3.6Å; F449-F717 HydrophobicContact CD1-CD1 3.6Å; F449-F717 HydrophobicContact CD1-CD2 4.07Å; F449-F717 AromaticContact CD1-CE1 3.81Å; F449-F717 HydrophobicContact CD1-CE1 3.81Å; F449-F717 HydrophobicContact CD1-CE2 4.26Å; F449-F717 AromaticContact CD1-CG 3.75Å; F449-F717 HydrophobicContact CD1-CG 3.75Å; F449-F717 HydrophobicContact CD1-CZ 4.14Å; F449-F717 HydrophobicContact CD2-CB 3.63Å; F449-F717 AromaticContact CD2-CD1 3.99Å; F449-F717 HydrophobicContact CD2-CD1 3.99Å; F449-F717 AromaticContact CD2-CG 3.9Å; F449-F717 HydrophobicContact CD2-CG 3.9Å; F449-F717 AromaticContact CE1-CD1 3.39Å; F449-F717 HydrophobicContact CE1-CD1 3.39Å; F449-F717 AromaticContact CE1-CE1 3.47Å; F449-F717 HydrophobicContact CE1-CE1 3.47Å; F449-F717 VanDerWaalsContact CE1-CE1 3.47Å; F449-F717 HydrophobicContact CE1-CG 4.04Å; F449-F717 HydrophobicContact CE1-CZ 4.17Å; F449-F717 HydrophobicContact CE2-CB 4.07Å; F449-F717 AromaticContact CE2-CD1 3.81Å; F449-F717 HydrophobicContact CE2-CD1 3.81Å; F449-F717 HydrophobicContact CE2-CG 4.18Å; F449-F717 HydrophobicContact CG-CB 3.79Å; F449-F717 AromaticContact CG-CD1 3.88Å; F449-F717 HydrophobicContact CG-CD1 3.88Å; F449-F717 HydrophobicContact CG-CD2 4.12Å; F449-F717 AromaticContact CG-CG 3.67Å; F449-F717 HydrophobicContact CG-CG 3.67Å; F449-F717 AromaticContact CZ-CD1 3.49Å; F449-F717 HydrophobicContact CZ-CD1 3.49Å; F449-F717 VanDerWaalsContact CZ-CD1 3.49Å; F449-F717 AromaticContact CZ-CE1 3.94Å; F449-F717 HydrophobicContact CZ-CE1 3.94Å; F449-F717 HydrophobicContact CZ-CG 4.23Å; P686-F717 HydrophobicContact CB-CE2 4.06Å; L687-F717 HydrophobicContact CD1-CB 3.86Å; L687-F717 HydrophobicContact CD1-CD2 4Å; L687-F717 HydrophobicContact CD1-CG 4.45Å; L694-F717 HydrophobicContact CD2-CE2 3.83Å; L694-F717 HydrophobicContact CD2-CZ 4.22Å; I702-F717 HydrophobicContact CD1-CD1 3.69Å; I702-F717 HydrophobicContact CD1-CE1 4.38Å; D713-F717 WeakPolarHBondContact O-CB 3.24Å; D713-F717 PolarHBondContact O-N 3.35Å; F717-K719 PolarHBondContact O-N 3.25Å; F717-R720 PolarHBondContact O-N 3.49Å; F717-L721 HydrophobicContact CD1-CD1 4.14Å; F717-L721 HydrophobicContact CD1-CG 4.45Å; F717-L721 HydrophobicContact CE1-CD1 3.82Å; F717-L721 HydrophobicContact CE1-CD2 4.48Å; F717-L721 HydrophobicContact CE1-CG 4.21Å; F717-L721 HydrophobicContact CZ-CD1 4.46Å; F717-L721 HydrophobicContact CZ-CD2 4.31Å; F717-L721 HydrophobicContact CZ-CG 4.46Å; F717-L721 WeakPolarHBondContact O-CG 3.44Å; F717-L721 PolarHBondContact O-N 2.89Å
718A98.2Very high97.5Very high0 Ų025.8 Ų25.80%015%0.148CC..Hα-helixtrans-62.8-40.9176.300000112.6Y75 I702 S714 V715 T716 L721 R722 F730Y75-A718 HydrophobicContact CD2-CB 3.99Å; Y75-A718 HydrophobicContact CE2-CB 3.57Å; I702-A718 HydrophobicContact CD1-CB 3.75Å; S714-A718 VanDerWaalsContact O-CB 3.24Å; S714-A718 WeakPolarHBondContact O-CB 3.47Å; S714-A718 PolarHBondContact O-N 2.92Å; V715-A718 PolarHBondContact O-N 2.87Å; T716-A718 PolarHBondContact O-N 3.05Å; A718-L721 PolarHBondContact O-N 2.85Å; A718-R722 PolarHBondContact O-N 3.22Å; A718-F730 HydrophobicContact CB-CB 4.25Å; A718-F730 HydrophobicContact CB-CD2 3.64Å; A718-F730 HydrophobicContact CB-CE2 4.3Å; A718-F730 HydrophobicContact CB-CG 4.12Å
719K97.1Very high97.6Very high28 Ų2827.3 Ų27.312%0.12216%0.158CC..Hα-helixtrans-60.7-47.3173.6-72.3-178.9178.1-177.10111F73 D74 Y75 V715 T716 F717 L721 R722 D723F73-K719 PolarHBondContact O-NZ 3.42Å; F73-K719 VanDerWaalsContact O-NZ 3.09Å; D74-K719 WeakPolarHBondContact O-CE 3.38Å; D74-K719 PolarHBondContact O-NZ 2.87Å; Y75-K719 HydrophobicContact CD2-CG 4.06Å; V715-K719 HydrophobicContact CG1-CD 4.36Å; V715-K719 WeakPolarHBondContact O-CG 3.43Å; V715-K719 PolarHBondContact O-N 3.36Å; T716-K719 PolarHBondContact O-N 3.03Å; F717-K719 PolarHBondContact O-N 3.25Å; K719-L721 PolarHBondContact O-N 2.99Å; K719-R722 VanDerWaalsContact O-CB 3.28Å; K719-R722 WeakPolarHBondContact O-CB 3.27Å; K719-R722 PolarHBondContact O-N 2.57Å; K719-R722 VanDerWaalsContact O-N 3.1Å; K719-D723 PolarHBondContact O-N 2.94Å
720R97.1Very high97.7Very high50 Ų5028 Ų2819%0.18916%0.16CC..Hα-helixtrans-58.7-45.2177.7-67.9-164.470.6-153.9-5.8112.4L687 A689 D691 L694 T716 F717 R722 D723 V724L687-R720 PolarHBondContact O-NH1 3.04Å; A689-R720 VanDerWaalsContact O-CZ 3.25Å; A689-R720 PolarHBondContact O-NH1 3.12Å; A689-R720 PolarHBondContact O-NH2 3.38Å; D691-R720 IonicContact OD1-CZ 3.71Å; D691-R720 IonicContact OD1-NE 3.11Å; D691-R720 IonicContact OD1-NH2 2.95Å; D691-R720 PolarHBondContact OD1-NH2 3.44Å; L694-R720 HydrophobicContact CD1-CB 4.08Å; T716-R720 WeakPolarHBondContact O-CG 3.3Å; T716-R720 PolarHBondContact O-N 3.12Å; F717-R720 PolarHBondContact O-N 3.49Å; R720-R722 VanDerWaalsContact C-N 3.32Å; R720-R722 PolarHBondContact O-N 3.08Å; R720-D723 PolarHBondContact O-N 3.26Å; R720-V724 WeakPolarHBondContact O-CG2 3.43Å; R720-V724 PolarHBondContact O-N 3.3Å; R720-V724 VanDerWaalsContact O-N 3.09Å
721L98.4Very high97.7Very high0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-59.3-41.3175.2-69-176.7000112.4L694 M697 T700 I702 F717 A718 K719 V724 G725 V726 H728L694-L721 HydrophobicContact CD2-CD2 4.29Å; M697-L721 HydrophobicContact CB-CD2 4.27Å; M697-L721 HydrophobicContact CG-CD2 4.33Å; T700-L721 HydrophobicContact CG2-CD1 4Å; I702-L721 HydrophobicContact CD1-CD1 4.03Å; F717-L721 HydrophobicContact CD1-CD1 4.14Å; F717-L721 HydrophobicContact CD1-CG 4.45Å; F717-L721 HydrophobicContact CE1-CD1 3.82Å; F717-L721 HydrophobicContact CE1-CD2 4.48Å; F717-L721 HydrophobicContact CE1-CG 4.21Å; F717-L721 HydrophobicContact CZ-CD1 4.46Å; F717-L721 HydrophobicContact CZ-CD2 4.31Å; F717-L721 HydrophobicContact CZ-CG 4.46Å; F717-L721 WeakPolarHBondContact O-CG 3.44Å; F717-L721 PolarHBondContact O-N 2.89Å; A718-L721 PolarHBondContact O-N 2.85Å; K719-L721 PolarHBondContact O-N 2.99Å; L721-V724 WeakPolarHBondContact O-CG2 3.24Å; L721-G725 PolarHBondContact O-N 3.49Å; L721-V726 HydrophobicContact CB-CB 4.23Å; L721-V726 HydrophobicContact CD2-CB 4.19Å; L721-V726 HydrophobicContact CD2-CG1 4.19Å; L721-V726 HydrophobicContact CD2-CG2 4.31Å; L721-V726 PolarHBondContact O-N 3.41Å; L721-H728 HydrophobicContact CB-CB 4.41Å; L721-H728 HydrophobicContact CD1-CB 4.18Å
722R97.3Very high97.6Very high96 Ų9630.3 Ų30.336%0.36217%0.173SC..Hα-helixtrans-60.6-47174.6-176.1-176.261.8-158.4-1.9111.7Y75 A718 K719 R720 V724 G725 H728Y75-R722 PolarHBondContact O-NH1 2.8Å; A718-R722 PolarHBondContact O-N 3.22Å; K719-R722 VanDerWaalsContact O-CB 3.28Å; K719-R722 WeakPolarHBondContact O-CB 3.27Å; K719-R722 PolarHBondContact O-N 2.57Å; K719-R722 VanDerWaalsContact O-N 3.1Å; R720-R722 VanDerWaalsContact C-N 3.32Å; R720-R722 PolarHBondContact O-N 3.08Å; R722-V724 VanDerWaalsContact C-N 3.31Å; R722-V724 PolarHBondContact O-N 3.07Å; R722-G725 PolarHBondContact O-N 3.05Å; R722-H728 WeakPolarHBondContact CA-CE1 3.45Å; R722-H728 WeakPolarHBondContact CB-CE1 3.39Å
723D96.7Very high97.5Very high114 Ų11431.2 Ų31.261%0.6118%0.177SC*.Hα-helixtrans-70.2-30.7-171.6-59.6-16.3000111.3K719 R720 G725K719-D723 PolarHBondContact O-N 2.94Å; R720-D723 PolarHBondContact O-N 3.26Å; D723-G725 VanDerWaalsContact C-N 3.34Å
724V98Very high97Very high35 Ų3536.3 Ų36.321%0.21221%0.205CC..THydrogen-bonded Turntrans-860.8170.5-55.30000114.2D691 L694 A695 R720 L721 R722 V726D691-V724 HydrophobicContact CB-CG1 3.79Å; L694-V724 HydrophobicContact CB-CG2 4.04Å; A695-V724 HydrophobicContact CB-CB 4.21Å; A695-V724 HydrophobicContact CB-CG2 4.49Å; R720-V724 WeakPolarHBondContact O-CG2 3.43Å; R720-V724 PolarHBondContact O-N 3.3Å; R720-V724 VanDerWaalsContact O-N 3.09Å; L721-V724 WeakPolarHBondContact O-CG2 3.24Å; R722-V724 VanDerWaalsContact C-N 3.31Å; R722-V724 PolarHBondContact O-N 3.07Å; V724-V726 HydrophobicContact CG2-CB 4.48Å; V724-V726 HydrophobicContact CG2-CG2 3.79Å
725G97.8Very high95.9Very high65 Ų6539.4 Ų39.467%0.6722%0.221SC*.THydrogen-bonded Turntrans80.218.7174.300000116.1L721 R722 D723L721-G725 PolarHBondContact O-N 3.49Å; R722-G725 PolarHBondContact O-N 3.05Å; D723-G725 VanDerWaalsContact C-N 3.34Å
726V98.3Very high95.5Very high12 Ų1239.6 Ų39.67%0.07322%0.222CC..  trans-74.5135175.6171.60000110.2L694 M697 L721 V724 H728L694-V726 WeakPolarHBondContact O-CG2 3.45Å; M697-V726 HydrophobicContact CB-CG1 4.19Å; M697-V726 HydrophobicContact CB-CG2 4.22Å; L721-V726 HydrophobicContact CB-CB 4.23Å; L721-V726 HydrophobicContact CD2-CB 4.19Å; L721-V726 HydrophobicContact CD2-CG1 4.19Å; L721-V726 HydrophobicContact CD2-CG2 4.31Å; L721-V726 PolarHBondContact O-N 3.41Å; V724-V726 HydrophobicContact CG2-CB 4.48Å; V724-V726 HydrophobicContact CG2-CG2 3.79Å; V726-H728 PolarHBondContact O-N 3.42Å; V726-H728 PolarHBondContact O-ND1 3.14Å
727S98.1Very high95.3Very high82 Ų8239.2 Ų39.257%0.57322%0.219SC*.  trans-62.5118.8172.2179.10000109.9P699 T700P699-S727 CarbonylContact C-O 3.44Å; P699-S727 WeakPolarHBondContact CA-O 3.49Å; T700-S727 PolarHBondContact N-O 3.29Å
728H98Very high95.1Very high37 Ų3739.6 Ų39.617%0.17122%0.221CC..EExtended strand (participates in β ladder)trans-146.1162.1-178.966-72.5000112.1Y75 T700 L721 R722 V726Y75-H728 AromaticContact CZ-NE2 3.93Å; Y75-H728 PolarHBondContact OH-CD2 2.91Å; Y75-H728 PolarHBondContact OH-NE2 3.44Å; T700-H728 CarbonylContact O-C 3.53Å; T700-H728 WeakPolarHBondContact O-CA 3.48Å; T700-H728 WeakPolarHBondContact O-CB 3.37Å; L721-H728 HydrophobicContact CB-CB 4.41Å; L721-H728 HydrophobicContact CD1-CB 4.18Å; R722-H728 WeakPolarHBondContact CA-CE1 3.45Å; R722-H728 WeakPolarHBondContact CB-CE1 3.39Å; V726-H728 PolarHBondContact O-N 3.42Å; V726-H728 PolarHBondContact O-ND1 3.14Å
729T97.9Very high94.6Very high34 Ų3439.9 Ų39.921%0.20922%0.224CC..EExtended strand (participates in β ladder)trans-124.8145.1166.470.90000109.4T700 S701 I702T700-T729 PolarHBondContact O-N 3.45Å; S701-T729 WeakPolarHBondContact CA-OG1 3.4Å; S701-T729 VanDerWaalsContact CB-OG1 3.23Å; S701-T729 WeakPolarHBondContact CB-OG1 3.49Å; S701-T729 PolarHBondContact OG-OG1 2.95Å; I702-T729 PolarHBondContact N-O 3.44Å
730F98Very high94.2Very high16 Ų1638.6 Ų38.67%0.0722%0.219CC..EExtended strand (participates in β ladder)trans-125.3111.3175.6-177.8-105.5000109.1Y75 T79 I702 A704 V715 A718 L732Y75-F730 HydrophobicContact CD1-CB 4.36Å; Y75-F730 AromaticContact CD1-CD1 3.57Å; Y75-F730 HydrophobicContact CD1-CD1 3.57Å; Y75-F730 HydrophobicContact CD1-CE1 4.24Å; Y75-F730 HydrophobicContact CD1-CG 4.23Å; Y75-F730 HydrophobicContact CD2-CD1 4.1Å; Y75-F730 HydrophobicContact CD2-CG 4.25Å; Y75-F730 HydrophobicContact CE1-CB 3.84Å; Y75-F730 AromaticContact CE1-CD1 3.94Å; Y75-F730 HydrophobicContact CE1-CD1 3.94Å; Y75-F730 HydrophobicContact CE1-CG 4.2Å; Y75-F730 HydrophobicContact CE2-CB 4.13Å; Y75-F730 HydrophobicContact CE2-CD1 4.45Å; Y75-F730 HydrophobicContact CE2-CG 4.25Å; Y75-F730 AromaticContact CG-CD1 3.64Å; Y75-F730 HydrophobicContact CG-CD1 3.64Å; Y75-F730 AromaticContact CG-CE1 3.98Å; Y75-F730 HydrophobicContact CG-CE1 3.98Å; Y75-F730 HydrophobicContact CG-CG 4.24Å; T79-F730 HydrophobicContact CG2-CD1 4.06Å; T79-F730 HydrophobicContact CG2-CE1 4.26Å; I702-F730 HydrophobicContact CB-CD2 4.18Å; I702-F730 HydrophobicContact CG2-CD2 4.04Å; I702-F730 HydrophobicContact CG2-CE2 4.24Å; I702-F730 WeakPolarHBondContact O-CA 3.47Å; A704-F730 HydrophobicContact CB-CE2 3.76Å; A704-F730 HydrophobicContact CB-CZ 3.9Å; V715-F730 HydrophobicContact CG2-CE1 4.37Å; V715-F730 HydrophobicContact CG2-CE2 4.36Å; V715-F730 HydrophobicContact CG2-CZ 3.66Å; A718-F730 HydrophobicContact CB-CB 4.25Å; A718-F730 HydrophobicContact CB-CD2 3.64Å; A718-F730 HydrophobicContact CB-CE2 4.3Å; A718-F730 HydrophobicContact CB-CG 4.12Å; F730-L732 HydrophobicContact CE1-CB 4.08Å
731D97.1Very high93.6Very high24 Ų2437.9 Ų37.913%0.12822%0.218CC..EExtended strand (participates in β ladder)trans-107.4108.1179.1-65.5-73.4000109.3I702 L703 A704 L733 R760I702-D731 PolarHBondContact O-N 2.82Å; L703-D731 HydrophobicContact CG-CB 4.19Å; A704-D731 PolarHBondContact N-O 3.23Å; D731-L733 HydrophobicContact CB-CD2 4.39Å; D731-R760 VanDerWaalsContact CG-NH2 3.34Å; D731-R760 IonicContact OD1-CZ 2.84Å; D731-R760 IonicContact OD1-NE 3.62Å; D731-R760 IonicContact OD1-NH2 3.39Å; D731-R760 PolarHBondContact OD1-NH2 2.78Å; D731-R760 IonicContact OD2-CZ 3.21Å; D731-R760 IonicContact OD2-NE 3.93Å; D731-R760 PolarHBondContact OD2-NE 3.13Å; D731-R760 IonicContact OD2-NH2 2.83Å; D731-R760 PolarHBondContact OD2-NH2 2.68Å
732L96.8Very high92.8Very high34 Ų3441.3 Ų41.318%0.17824%0.236CC..EExtended strand (participates in β ladder)trans-90.1109.1173.5-174.961.3000109.9T79 G81 A704 H706 L711 F730T79-L732 HydrophobicContact CG2-CB 4.08Å; G81-L732 VanDerWaalsContact CA-CD2 3.5Å; A704-L732 HydrophobicContact CB-CD1 4.22Å; H706-L732 HydrophobicContact CB-CD1 4.16Å; H706-L732 HydrophobicContact CB-CG 4.36Å; L711-L732 HydrophobicContact CD1-CD1 3.44Å; L711-L732 VanDerWaalsContact CD1-CD1 3.44Å; L711-L732 HydrophobicContact CD2-CD1 4.46Å; F730-L732 HydrophobicContact CE1-CB 4.08Å
733L94.1Very high91.9Very high19 Ų1937 Ų3710%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-91.7121.8-176.6-53179.4000110.6L703 A704 H706 D731 V736 F740 A753 T756L703-L733 HydrophobicContact CB-CD1 4.35Å; L703-L733 HydrophobicContact CD2-CD1 4.23Å; A704-L733 WeakPolarHBondContact O-CB 3.48Å; A704-L733 PolarHBondContact O-N 3.1Å; H706-L733 PolarHBondContact N-O 2.64Å; D731-L733 HydrophobicContact CB-CD2 4.39Å; L733-V736 HydrophobicContact CB-CG2 3.62Å; L733-V736 HydrophobicContact CD1-CG2 4.38Å; L733-F740 HydrophobicContact CD1-CE1 3.61Å; L733-F740 HydrophobicContact CD1-CE2 4.46Å; L733-F740 HydrophobicContact CD1-CZ 3.6Å; L733-A753 HydrophobicContact CD1-CB 3.95Å; L733-T756 HydrophobicContact CD2-CG2 4.41Å
734D86.1Confident91Very high108 Ų10832.3 Ų32.358%0.57820%0.195SC*.SBendtrans-83.3154.7175.5-78.2-36.3000112.1H706 V736H706-D734 WeakPolarHBondContact CB-OD1 3.47Å; H706-D734 IonicContact CD2-OD1 2.77Å; H706-D734 IonicContact CG-OD1 2.79Å; D734-V736 PolarHBondContact O-N 2.95Å
735L75.9Confident89.8Confident66 Ų6635 Ų3535%0.34621%0.213SC..SBendtrans65.3-7.6171-53177.3000117.3
736V89.1Confident88.5Confident3 Ų338.2 Ų38.22%0.01821%0.209CC..PPolyproline II helixtrans-99.6143.1179.5-650000112L733 D734 F740 E749 A753L733-V736 HydrophobicContact CB-CG2 3.62Å; L733-V736 HydrophobicContact CD1-CG2 4.38Å; D734-V736 PolarHBondContact O-N 2.95Å; V736-F740 HydrophobicContact CB-CB 3.83Å; V736-F740 HydrophobicContact CB-CD1 4.31Å; V736-F740 HydrophobicContact CB-CG 4.17Å; V736-F740 HydrophobicContact CG1-CB 4.39Å; V736-F740 HydrophobicContact CG2-CB 4.41Å; V736-F740 HydrophobicContact CG2-CD1 3.96Å; V736-F740 HydrophobicContact CG2-CG 4.25Å; V736-E749 HydrophobicContact CG1-CB 4.39Å; V736-A753 HydrophobicContact CG1-CB 3.87Å; V736-A753 HydrophobicContact CG2-CB 4.24Å
737P92.5Very high87.6Confident0 Ų037.9 Ų37.90%021%0.207CC..PPolyproline II helixtrans-82.4173.2177.935.3-37000112.1F187 V191 F195 F740 L743F187-P737 HydrophobicContact CD1-CB 4.12Å; F187-P737 HydrophobicContact CE1-CB 3.63Å; F187-P737 HydrophobicContact CE2-CB 4.14Å; F187-P737 HydrophobicContact CZ-CB 3.64Å; V191-P737 HydrophobicContact CG1-CB 4.42Å; V191-P737 HydrophobicContact CG1-CG 3.81Å; F195-P737 HydrophobicContact CE2-CB 3.89Å; F195-P737 HydrophobicContact CE2-CG 4.13Å; F195-P737 HydrophobicContact CZ-CB 3.72Å; F195-P737 HydrophobicContact CZ-CG 3.94Å; P737-F740 WeakPolarHBondContact O-CB 3.19Å; P737-F740 PolarHBondContact O-N 3.37Å; P737-L743 HydrophobicContact CG-CD1 3.65Å
738H93.7Very high86.9Confident9 Ų941 Ų414%0.04221%0.213CC..THydrogen-bonded Turntrans-51.5140.6159.5-167.885.3000110.1S417 Y446 L467 I468 D708 F740S417-H738 WeakPolarHBondContact CB-NE2 3.48Å; S417-H738 PolarHBondContact OG-CE1 3.25Å; S417-H738 PolarHBondContact OG-NE2 3.19Å; Y446-H738 AromaticContact CD2-CE1 3.38Å; Y446-H738 WeakPolarHBondContact CD2-CE1 3.43Å; Y446-H738 AromaticContact CD2-ND1 3.73Å; Y446-H738 AromaticContact CD2-NE2 3.74Å; Y446-H738 AromaticContact CG-CE1 3.96Å; Y446-H738 AromaticContact CG-ND1 3.88Å; Y446-H738 PolarHBondContact O-CE1 2.99Å; Y446-H738 VanDerWaalsContact O-CE1 3.25Å; L467-H738 HydrophobicContact CD2-CB 4.37Å; L467-H738 WeakPolarHBondContact CD2-O 3.24Å; I468-H738 HydrophobicContact CD1-CB 3.89Å; I468-H738 HydrophobicContact CG1-CB 4.17Å; D708-H738 IonicContact OD1-ND1 2.78Å; D708-H738 WeakPolarHBondContact OD2-CB 3.45Å; D708-H738 IonicContact OD2-CE1 3.66Å; D708-H738 IonicContact OD2-CG 2.76Å; D708-H738 IonicContact OD2-ND1 3.78Å; D708-H738 PolarHBondContact OD2-ND1 3.13Å; H738-F740 VanDerWaalsContact C-N 3.32Å; H738-F740 PolarHBondContact O-N 3.28Å
739G89.4Confident86.3Confident6 Ų642.8 Ų42.86%0.06222%0.221CC..THydrogen-bonded Turntrans71.520.5178.800000115.1M741 N742G739-M741 PolarHBondContact O-N 2.98Å; G739-N742 WeakPolarHBondContact O-CB 3.3Å; G739-N742 PolarHBondContact O-N 3.49Å
740F88.1Confident85.7Confident0 Ų041.1 Ų41.10%021%0.211CC..G310 helixtrans-53.8-27.8-177.467.9-101.1000114.3Y446 C705 L733 V736 P737 H738 N742 L743 C750 A753Y446-F740 AromaticContact CD1-CD1 3.72Å; Y446-F740 HydrophobicContact CD1-CD1 3.72Å; Y446-F740 AromaticContact CD1-CE1 3.48Å; Y446-F740 HydrophobicContact CD1-CE1 3.48Å; Y446-F740 VanDerWaalsContact CD1-CE1 3.48Å; Y446-F740 HydrophobicContact CD1-CZ 4.43Å; Y446-F740 AromaticContact CE1-CD1 3.47Å; Y446-F740 HydrophobicContact CE1-CD1 3.47Å; Y446-F740 VanDerWaalsContact CE1-CD1 3.47Å; Y446-F740 AromaticContact CE1-CE1 3.35Å; Y446-F740 HydrophobicContact CE1-CE1 3.35Å; Y446-F740 HydrophobicContact CE1-CG 4.25Å; Y446-F740 HydrophobicContact CE1-CZ 4Å; C705-F740 VanDerWaalsContact SG-CD1 3.54Å; L733-F740 HydrophobicContact CD1-CE1 3.61Å; L733-F740 HydrophobicContact CD1-CE2 4.46Å; L733-F740 HydrophobicContact CD1-CZ 3.6Å; V736-F740 HydrophobicContact CB-CB 3.83Å; V736-F740 HydrophobicContact CB-CD1 4.31Å; V736-F740 HydrophobicContact CB-CG 4.17Å; V736-F740 HydrophobicContact CG1-CB 4.39Å; V736-F740 HydrophobicContact CG2-CB 4.41Å; V736-F740 HydrophobicContact CG2-CD1 3.96Å; V736-F740 HydrophobicContact CG2-CG 4.25Å; P737-F740 WeakPolarHBondContact O-CB 3.19Å; P737-F740 PolarHBondContact O-N 3.37Å; H738-F740 VanDerWaalsContact C-N 3.32Å; H738-F740 PolarHBondContact O-N 3.28Å; F740-N742 PolarHBondContact O-N 3.44Å; F740-L743 WeakPolarHBondContact O-CB 3.41Å; F740-L743 PolarHBondContact O-N 2.9Å; F740-C750 HydrophobicContact CB-CB 4.21Å; F740-C750 WeakPolarHBondContact O-CB 3.43Å; F740-A753 HydrophobicContact CD2-CB 3.63Å; F740-A753 HydrophobicContact CE2-CB 3.59Å; F740-A753 HydrophobicContact CG-CB 4.24Å; F740-A753 HydrophobicContact CZ-CB 4.11Å
741M85.1Confident85.1Confident35 Ų3544.5 Ų44.517%0.17222%0.223CC..G310 helixtrans-61.6-24.8177.8-64.1-174.3-176.300112.5D416 A445 Y446 G739 L743 I744 T754 C757D416-M741 HydrophobicContact CB-SD 4.36Å; A445-M741 HydrophobicContact CB-CE 3.51Å; Y446-M741 HydrophobicContact CE1-CG 4.48Å; G739-M741 PolarHBondContact O-N 2.98Å; M741-L743 PolarHBondContact O-N 3.45Å; M741-I744 WeakPolarHBondContact O-CD1 3.18Å; M741-I744 VanDerWaalsContact O-CG1 3.25Å; M741-I744 WeakPolarHBondContact O-CG1 3.35Å; M741-T754 HydrophobicContact CG-CG2 4.47Å; M741-C757 HydrophobicContact CE-CB 3.68Å; M741-C757 VanDerWaalsContact CE-SG 3.53Å
742N79.6Confident84.7Confident72 Ų7245.8 Ų45.839%0.38524%0.237SC..G310 helixtrans-79.6-6.7175.3-63.7-50.9000113.1G739 F740G739-N742 WeakPolarHBondContact O-CB 3.3Å; G739-N742 PolarHBondContact O-N 3.49Å; F740-N742 PolarHBondContact O-N 3.44Å
743L79.2Confident84.3Confident7 Ų744.5 Ų44.54%0.03723%0.232CC..G310 helixtrans-107.54.7-175.3-54.4-175.8000113.7V191 F194 P737 F740 M741 P745 F746 S747 C750V191-L743 HydrophobicContact CG1-CD1 4.37Å; V191-L743 HydrophobicContact CG2-CD1 4.16Å; F194-L743 HydrophobicContact CD1-CD1 4.23Å; F194-L743 HydrophobicContact CD1-CD2 3.6Å; F194-L743 HydrophobicContact CD2-CD2 3.77Å; F194-L743 HydrophobicContact CE1-CD1 4.49Å; F194-L743 HydrophobicContact CE1-CD2 3.45Å; F194-L743 VanDerWaalsContact CE1-CD2 3.45Å; F194-L743 HydrophobicContact CE2-CD2 3.61Å; F194-L743 HydrophobicContact CG-CD2 3.77Å; F194-L743 HydrophobicContact CZ-CD2 3.45Å; F194-L743 VanDerWaalsContact CZ-CD2 3.45Å; P737-L743 HydrophobicContact CG-CD1 3.65Å; F740-L743 WeakPolarHBondContact O-CB 3.41Å; F740-L743 PolarHBondContact O-N 2.9Å; M741-L743 PolarHBondContact O-N 3.45Å; L743-P745 VanDerWaalsContact C-N 3.29Å; L743-F746 PolarHBondContact O-N 3.34Å; L743-S747 PolarHBondContact O-N 3.42Å; L743-C750 HydrophobicContact CB-CB 3.95Å
744I77.7Confident84.1Confident15 Ų1543.9 Ų43.98%0.07723%0.228CC..THydrogen-bonded Turntrans-49.9-39.3177.6-62.1164.2000113.4M741 F746 R751 T754M741-I744 WeakPolarHBondContact O-CD1 3.18Å; M741-I744 VanDerWaalsContact O-CG1 3.25Å; M741-I744 WeakPolarHBondContact O-CG1 3.35Å; I744-F746 PolarHBondContact O-N 3.14Å; I744-R751 HydrophobicContact CG2-CB 4.16Å; I744-R751 HydrophobicContact CG2-CG 4.1Å; I744-R751 PolarHBondContact O-NH2 3.45Å; I744-T754 HydrophobicContact CD1-CG2 3.64Å; I744-T754 WeakPolarHBondContact CD1-OG1 3.34Å; I744-T754 HydrophobicContact CG1-CG2 4.44Å; I744-T754 WeakPolarHBondContact CG1-OG1 3.29Å
745P72.1Confident84.2Confident91 Ų9141.2 Ų41.259%0.59121%0.214SC*.THydrogen-bonded Turntrans-69-18.1178.3-21.435.2000114.3L743L743-P745 VanDerWaalsContact C-N 3.29Å
746F71.9Confident85Confident133 Ų13339.8 Ų39.858%0.58321%0.208SC*.THydrogen-bonded Turntrans-116.9-20.2-168.3-50.4-69.7000114.2S190 F194 L743 I744S190-F746 WeakPolarHBondContact CB-O 3.3Å; F194-F746 HydrophobicContact CD2-CD2 4.4Å; L743-F746 PolarHBondContact O-N 3.34Å; I744-F746 PolarHBondContact O-N 3.14Å
747S78.6Confident85Confident4 Ų440 Ų403%0.02821%0.21CC..  trans-135.1127-176.8164.10000111.7S190 L743 E749 C750 R751S190-S747 WeakPolarHBondContact OG-CB 3.45Å; S190-S747 PolarHBondContact OG-OG 3.45Å; L743-S747 PolarHBondContact O-N 3.42Å; S747-E749 VanDerWaalsContact C-N 3.32Å; S747-E749 PolarHBondContact OG-N 2.68Å; S747-E749 PolarHBondContact OG-OE2 3.24Å; S747-C750 PolarHBondContact OG-N 2.95Å; S747-C750 PolarHBondContact OG-SG 3.4Å; S747-R751 PolarHBondContact O-N 2.91Å
748E84.6Confident84.9Confident148 Ų14840.5 Ų40.569%0.69221%0.212SC*.Hα-helixtrans-67.9-34.1173.8-67.2-174.2165.500111.5R751 A752E748-R751 WeakPolarHBondContact O-CB 3.29Å; E748-R751 PolarHBondContact O-N 3.02Å; E748-A752 WeakPolarHBondContact O-CB 3.47Å; E748-A752 PolarHBondContact O-N 3.41Å
749E84.9Confident84.9Confident74 Ų7444.9 Ų44.935%0.34623%0.233SC..Hα-helixtrans-64.8-45.4175.7-55.389.3160.400111.3S190 V736 S747 R751 A752 A753S190-E749 PolarHBondContact OG-OE2 2.91Å; V736-E749 HydrophobicContact CG1-CB 4.39Å; S747-E749 VanDerWaalsContact C-N 3.32Å; S747-E749 PolarHBondContact OG-N 2.68Å; S747-E749 PolarHBondContact OG-OE2 3.24Å; E749-R751 VanDerWaalsContact C-N 3.33Å; E749-R751 PolarHBondContact O-N 3.38Å; E749-A752 PolarHBondContact O-N 2.9Å; E749-A753 WeakPolarHBondContact O-CB 3.32Å; E749-A753 PolarHBondContact O-N 3.48Å
750C85.3Confident85.1Confident0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-64.1-37.1174.3-670000112F740 L743 S747 A753 T754F740-C750 HydrophobicContact CB-CB 4.21Å; F740-C750 WeakPolarHBondContact O-CB 3.43Å; L743-C750 HydrophobicContact CB-CB 3.95Å; S747-C750 PolarHBondContact OG-N 2.95Å; S747-C750 PolarHBondContact OG-SG 3.4Å; C750-A753 PolarHBondContact O-N 3.43Å; C750-T754 PolarHBondContact O-N 3.41Å; C750-T754 PolarHBondContact O-OG1 3.32Å; C750-T754 VanDerWaalsContact O-OG1 3.1Å
751R85.6Confident85.3Confident87 Ų8748.2 Ų48.233%0.32824%0.244SC..Hα-helixtrans-62.7-46.5173-176.6-178.4-62.2-88.2-3.7111.5D359 I744 S747 E748 E749 A753 T754 L755D359-R751 IonicContact OD2-CZ 3.43Å; D359-R751 IonicContact OD2-NH1 2.7Å; D359-R751 PolarHBondContact OD2-NH1 2.94Å; D359-R751 IonicContact OD2-NH2 3.68Å; I744-R751 HydrophobicContact CG2-CB 4.16Å; I744-R751 HydrophobicContact CG2-CG 4.1Å; I744-R751 PolarHBondContact O-NH2 3.45Å; S747-R751 PolarHBondContact O-N 2.91Å; E748-R751 WeakPolarHBondContact O-CB 3.29Å; E748-R751 PolarHBondContact O-N 3.02Å; E749-R751 VanDerWaalsContact C-N 3.33Å; E749-R751 PolarHBondContact O-N 3.38Å; R751-A753 VanDerWaalsContact C-N 3.32Å; R751-A753 PolarHBondContact O-N 2.89Å; R751-T754 PolarHBondContact O-N 2.86Å; R751-L755 WeakPolarHBondContact O-CG 3.34Å; R751-L755 PolarHBondContact O-N 2.9Å
752A87.3Confident85.6Confident51 Ų5148 Ų4842%0.42124%0.242SC..Hα-helixtrans-60.4-42.2177.200000111.9E748 E749 T754 L755 T756E748-A752 WeakPolarHBondContact O-CB 3.47Å; E748-A752 PolarHBondContact O-N 3.41Å; E749-A752 PolarHBondContact O-N 2.9Å; A752-T754 PolarHBondContact O-N 3.39Å; A752-L755 WeakPolarHBondContact O-CB 3.35Å; A752-L755 PolarHBondContact O-N 3.21Å; A752-T756 PolarHBondContact O-N 2.78Å; A752-T756 PolarHBondContact O-OG1 3.36Å
753A89.4Confident86.3Confident7 Ų747.4 Ų47.46%0.05824%0.244CC..Hα-helixtrans-60.3-41.4173.800000113L733 V736 F740 E749 C750 R751 L755 T756 C757L733-A753 HydrophobicContact CD1-CB 3.95Å; V736-A753 HydrophobicContact CG1-CB 3.87Å; V736-A753 HydrophobicContact CG2-CB 4.24Å; F740-A753 HydrophobicContact CD2-CB 3.63Å; F740-A753 HydrophobicContact CE2-CB 3.59Å; F740-A753 HydrophobicContact CG-CB 4.24Å; F740-A753 HydrophobicContact CZ-CB 4.11Å; E749-A753 WeakPolarHBondContact O-CB 3.32Å; E749-A753 PolarHBondContact O-N 3.48Å; C750-A753 PolarHBondContact O-N 3.43Å; R751-A753 VanDerWaalsContact C-N 3.32Å; R751-A753 PolarHBondContact O-N 2.89Å; A753-L755 VanDerWaalsContact C-N 3.33Å; A753-L755 PolarHBondContact O-N 3.06Å; A753-T756 WeakPolarHBondContact O-CB 3.07Å; A753-T756 PolarHBondContact O-N 3.49Å; A753-C757 PolarHBondContact O-N 3.07Å
754T88.8Confident86.9Confident5 Ų549.1 Ų49.13%0.03125%0.25CS..Hα-helixtrans-64.9-36.9174.9-58.10000112M741 I744 C750 R751 A752 T756 C757 I758M741-T754 HydrophobicContact CG-CG2 4.47Å; I744-T754 HydrophobicContact CD1-CG2 3.64Å; I744-T754 WeakPolarHBondContact CD1-OG1 3.34Å; I744-T754 HydrophobicContact CG1-CG2 4.44Å; I744-T754 WeakPolarHBondContact CG1-OG1 3.29Å; C750-T754 PolarHBondContact O-N 3.41Å; C750-T754 PolarHBondContact O-OG1 3.32Å; C750-T754 VanDerWaalsContact O-OG1 3.1Å; R751-T754 PolarHBondContact O-N 2.86Å; A752-T754 PolarHBondContact O-N 3.39Å; T754-T756 VanDerWaalsContact C-N 3.28Å; T754-T756 PolarHBondContact O-N 2.66Å; T754-C757 VanDerWaalsContact O-CB 3.28Å; T754-C757 WeakPolarHBondContact O-CB 3.46Å; T754-C757 PolarHBondContact O-N 2.7Å; T754-I758 HydrophobicContact CG2-CD1 4.06Å; T754-I758 PolarHBondContact O-N 3.17Å
755L90Very high87.4Confident52 Ų5249.4 Ų49.427%0.27225%0.252SS..Hα-helixtrans-61-37.2176-67.9174.9000112E362 R751 A752 A753 C757 I758 E759E362-L755 HydrophobicContact CG-CD2 4.22Å; R751-L755 WeakPolarHBondContact O-CG 3.34Å; R751-L755 PolarHBondContact O-N 2.9Å; A752-L755 WeakPolarHBondContact O-CB 3.35Å; A752-L755 PolarHBondContact O-N 3.21Å; A753-L755 VanDerWaalsContact C-N 3.33Å; A753-L755 PolarHBondContact O-N 3.06Å; L755-C757 VanDerWaalsContact C-N 3.3Å; L755-C757 PolarHBondContact O-N 3.38Å; L755-I758 HydrophobicContact CD2-CD1 4.16Å; L755-I758 PolarHBondContact O-N 2.87Å; L755-E759 WeakPolarHBondContact O-CG 3.33Å; L755-E759 PolarHBondContact O-N 2.86Å
756T91.1Very high87.7Confident36 Ų3654.1 Ų54.122%0.22127%0.266CS..Hα-helixtrans-58.8-41.7172.1-51.90000111.7L703 L733 A752 A753 T754 I758 E759 R760L703-T756 HydrophobicContact CD2-CG2 4.18Å; L733-T756 HydrophobicContact CD2-CG2 4.41Å; A752-T756 PolarHBondContact O-N 2.78Å; A752-T756 PolarHBondContact O-OG1 3.36Å; A753-T756 WeakPolarHBondContact O-CB 3.07Å; A753-T756 PolarHBondContact O-N 3.49Å; T754-T756 VanDerWaalsContact C-N 3.28Å; T754-T756 PolarHBondContact O-N 2.66Å; T756-I758 PolarHBondContact O-N 3.41Å; T756-E759 PolarHBondContact O-N 2.77Å; T756-R760 WeakPolarHBondContact O-CG 3.43Å; T756-R760 PolarHBondContact O-N 3.44Å
757C90.6Very high88.5Confident9 Ų950.2 Ų50.26%0.06125%0.25CS..Hα-helixtrans-60.7-45.7175.2-173.90000111.4L703 M741 A753 T754 L755 E759 R760 V761L703-C757 HydrophobicContact CD1-CB 4.46Å; L703-C757 HydrophobicContact CD2-CB 3.8Å; M741-C757 HydrophobicContact CE-CB 3.68Å; M741-C757 VanDerWaalsContact CE-SG 3.53Å; A753-C757 PolarHBondContact O-N 3.07Å; T754-C757 VanDerWaalsContact O-CB 3.28Å; T754-C757 WeakPolarHBondContact O-CB 3.46Å; T754-C757 PolarHBondContact O-N 2.7Å; L755-C757 VanDerWaalsContact C-N 3.3Å; L755-C757 PolarHBondContact O-N 3.38Å; C757-E759 VanDerWaalsContact C-N 3.32Å; C757-E759 PolarHBondContact O-N 3.03Å; C757-R760 WeakPolarHBondContact O-CB 3.35Å; C757-R760 PolarHBondContact O-N 2.86Å; C757-V761 WeakPolarHBondContact O-CG2 3.49Å; C757-V761 PolarHBondContact O-N 2.9Å
758I90.6Very high89.1Confident10 Ų1052.6 Ų52.65%0.05126%0.262CS..Hα-helixtrans-62.1-41.6178.7-67.5157.9000110.9E362 L366 T754 L755 T756 R760 V761 E762E362-I758 HydrophobicContact CB-CD1 3.47Å; E362-I758 VanDerWaalsContact CB-CD1 3.47Å; E362-I758 VanDerWaalsContact CD-CD1 3.47Å; E362-I758 HydrophobicContact CG-CD1 3.4Å; E362-I758 VanDerWaalsContact CG-CD1 3.4Å; L366-I758 HydrophobicContact CD2-CG2 4.14Å; L366-I758 HydrophobicContact CG-CG2 4.42Å; T754-I758 HydrophobicContact CG2-CD1 4.06Å; T754-I758 PolarHBondContact O-N 3.17Å; L755-I758 HydrophobicContact CD2-CD1 4.16Å; L755-I758 PolarHBondContact O-N 2.87Å; T756-I758 PolarHBondContact O-N 3.41Å; I758-R760 VanDerWaalsContact C-N 3.32Å; I758-R760 PolarHBondContact O-N 2.94Å; I758-V761 PolarHBondContact O-N 3.32Å; I758-E762 HydrophobicContact CG2-CG 4.27Å; I758-E762 WeakPolarHBondContact O-CB 3.45Å; I758-E762 VanDerWaalsContact O-CG 3.32Å; I758-E762 WeakPolarHBondContact O-CG 3.43Å; I758-E762 PolarHBondContact O-N 3.37Å
759E92.6Very high89.3Confident100 Ų10047.3 Ų47.347%0.46724%0.238SC..Hα-helixtrans-62.5-37.3176.4-72.8170.1-175.200112.2L755 T756 C757 E762 S763L755-E759 WeakPolarHBondContact O-CG 3.33Å; L755-E759 PolarHBondContact O-N 2.86Å; T756-E759 PolarHBondContact O-N 2.77Å; C757-E759 VanDerWaalsContact C-N 3.32Å; C757-E759 PolarHBondContact O-N 3.03Å; E759-E762 PolarHBondContact O-N 3.28Å; E759-S763 WeakPolarHBondContact O-CB 3.5Å; E759-S763 PolarHBondContact O-N 3.13Å
760R93.7Very high89.6Confident73 Ų7345.8 Ų45.828%0.27523%0.232SC..Hα-helixtrans-63.1-46.6172.5-66.5-56.1-178.8-166.6-2.6111.7V443 D731 T756 C757 I758 S763 Y764V443-R760 HydrophobicContact CG1-CB 4.17Å; V443-R760 HydrophobicContact CG2-CB 4.49Å; D731-R760 VanDerWaalsContact CG-NH2 3.34Å; D731-R760 IonicContact OD1-CZ 2.84Å; D731-R760 IonicContact OD1-NE 3.62Å; D731-R760 IonicContact OD1-NH2 3.39Å; D731-R760 PolarHBondContact OD1-NH2 2.78Å; D731-R760 IonicContact OD2-CZ 3.21Å; D731-R760 IonicContact OD2-NE 3.93Å; D731-R760 PolarHBondContact OD2-NE 3.13Å; D731-R760 IonicContact OD2-NH2 2.83Å; D731-R760 PolarHBondContact OD2-NH2 2.68Å; T756-R760 WeakPolarHBondContact O-CG 3.43Å; T756-R760 PolarHBondContact O-N 3.44Å; C757-R760 WeakPolarHBondContact O-CB 3.35Å; C757-R760 PolarHBondContact O-N 2.86Å; I758-R760 VanDerWaalsContact C-N 3.32Å; I758-R760 PolarHBondContact O-N 2.94Å; R760-S763 PolarHBondContact O-N 3.33Å; R760-S763 PolarHBondContact O-OG 3.47Å; R760-Y764 WeakPolarHBondContact O-CD2 3.41Å
761V93.1Very high89.8Confident4 Ų448.6 Ų48.62%0.02425%0.246CC..Hα-helixtrans-60.2-48.7175.6179.50000110.6I340 L366 V414 V443 C757 I758 S763 Y764 L765I340-V761 HydrophobicContact CD1-CG1 3.54Å; I340-V761 HydrophobicContact CG1-CG1 4.23Å; L366-V761 HydrophobicContact CD2-CB 3.96Å; L366-V761 HydrophobicContact CD2-CG1 3.59Å; V414-V761 HydrophobicContact CG1-CG2 4.43Å; V414-V761 HydrophobicContact CG2-CG1 4.38Å; V414-V761 HydrophobicContact CG2-CG2 3.71Å; V443-V761 HydrophobicContact CB-CG2 4.1Å; V443-V761 HydrophobicContact CG1-CG2 4.1Å; V443-V761 HydrophobicContact CG2-CG2 3.91Å; C757-V761 WeakPolarHBondContact O-CG2 3.49Å; C757-V761 PolarHBondContact O-N 2.9Å; I758-V761 PolarHBondContact O-N 3.32Å; V761-S763 PolarHBondContact O-N 3.02Å; V761-Y764 PolarHBondContact O-N 3.26Å; V761-Y764 VanDerWaalsContact O-N 3.13Å; V761-L765 HydrophobicContact CG1-CD1 3.87Å; V761-L765 HydrophobicContact CG1-CG 4.12Å; V761-L765 WeakPolarHBondContact O-CG 3.41Å; V761-L765 PolarHBondContact O-N 2.93Å; V761-L765 VanDerWaalsContact O-N 3.13Å
762E91.8Very high90.1Very high29 Ų2946.1 Ų46.114%0.13624%0.241CC..Hα-helixtrans-54.1-41.4177.6-75176.2173.400111.9R365 L366 I758 E759 Y764 L765 Q766R365-E762 WeakPolarHBondContact CB-OE1 3.05Å; R365-E762 IonicContact CZ-OE1 2.66Å; R365-E762 IonicContact CZ-OE2 2.65Å; R365-E762 IonicContact NE-OE1 3.18Å; R365-E762 PolarHBondContact NE-OE1 3.34Å; R365-E762 IonicContact NE-OE2 3.59Å; R365-E762 IonicContact NH2-OE1 3.13Å; R365-E762 PolarHBondContact NH2-OE1 2.94Å; R365-E762 IonicContact NH2-OE2 2.84Å; R365-E762 PolarHBondContact NH2-OE2 2.83Å; L366-E762 HydrophobicContact CD2-CG 3.81Å; I758-E762 HydrophobicContact CG2-CG 4.27Å; I758-E762 WeakPolarHBondContact O-CB 3.45Å; I758-E762 VanDerWaalsContact O-CG 3.32Å; I758-E762 WeakPolarHBondContact O-CG 3.43Å; I758-E762 PolarHBondContact O-N 3.37Å; E759-E762 PolarHBondContact O-N 3.28Å; E762-Y764 VanDerWaalsContact C-N 3.25Å; E762-Y764 PolarHBondContact O-N 2.68Å; E762-L765 PolarHBondContact O-N 3.47Å; E762-Q766 WeakPolarHBondContact O-CG 3.44Å; E762-Q766 PolarHBondContact O-N 3.12Å
763S93Very high90.3Very high61 Ų6145.7 Ų45.743%0.42723%0.228SC..Hα-helixtrans-63.6-26.1-178.477.50000114.5E759 R760 V761E759-S763 WeakPolarHBondContact O-CB 3.5Å; E759-S763 PolarHBondContact O-N 3.13Å; R760-S763 PolarHBondContact O-N 3.33Å; R760-S763 PolarHBondContact O-OG 3.47Å; V761-S763 PolarHBondContact O-N 3.02Å
764Y92.7Very high90.4Very high42 Ų4248.7 Ų48.717%0.16524%0.241CC..Hα-helixtrans-90.9-29.3175.5-67.7-63.6000112.7K410 A441 V443 P699 S701 R760 V761 E762K410-Y764 PolarHBondContact NZ-O 3.2Å; K410-Y764 VanDerWaalsContact NZ-O 3.09Å; A441-Y764 HydrophobicContact CB-CD1 3.62Å; A441-Y764 HydrophobicContact CB-CD2 3.57Å; A441-Y764 HydrophobicContact CB-CE1 4.12Å; A441-Y764 HydrophobicContact CB-CE2 4.05Å; A441-Y764 HydrophobicContact CB-CG 3.33Å; V443-Y764 HydrophobicContact CG2-CD2 4.05Å; V443-Y764 HydrophobicContact CG2-CE2 4.15Å; P699-Y764 HydrophobicContact CB-CD1 4.34Å; P699-Y764 HydrophobicContact CB-CE1 3.53Å; S701-Y764 WeakPolarHBondContact OG-CE2 3.25Å; S701-Y764 PolarHBondContact OG-OH 2.99Å; R760-Y764 WeakPolarHBondContact O-CD2 3.41Å; V761-Y764 PolarHBondContact O-N 3.26Å; V761-Y764 VanDerWaalsContact O-N 3.13Å; E762-Y764 VanDerWaalsContact C-N 3.25Å; E762-Y764 PolarHBondContact O-N 2.68Å
765L88Confident90.5Very high22 Ų2252.3 Ų52.312%0.11526%0.259CS..Hα-helixtrans-77.5-34.1-179.2-63.1-167.4000112.8I340 L366 C368 K410 C412 V761 E762I340-L765 HydrophobicContact CD1-CD1 4.13Å; I340-L765 HydrophobicContact CG1-CD1 4.19Å; L366-L765 HydrophobicContact CD2-CD1 4.45Å; C368-L765 HydrophobicContact CB-CD1 3.91Å; K410-L765 PolarHBondContact NZ-O 3.4Å; K410-L765 VanDerWaalsContact NZ-O 3.13Å; C412-L765 HydrophobicContact CB-CD2 3.73Å; V761-L765 HydrophobicContact CG1-CD1 3.87Å; V761-L765 HydrophobicContact CG1-CG 4.12Å; V761-L765 WeakPolarHBondContact O-CG 3.41Å; V761-L765 PolarHBondContact O-N 2.93Å; V761-L765 VanDerWaalsContact O-N 3.13Å; E762-L765 PolarHBondContact O-N 3.47Å
766Q79.1Confident90.6Very high190 Ų19052.4 Ų52.489%0.88826%0.257SS*.  trans-65.60170-68.1175.716.500110.5K410 E762K410-Q766 PolarHBondContact NZ-O 2.96Å; K410-Q766 PolarHBondContact NZ-OXT 3.15Å; E762-Q766 WeakPolarHBondContact O-CG 3.44Å; E762-Q766 PolarHBondContact O-N 3.12Å

Retrieved 766 of 766 residues in 231.8 ms (Link to these results)

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