A0A077ZMG9_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 297 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
1M32.2Very low49.6Very low231 Ų231133.8 Ų133.8100%1.13870%0.698SS**  0101.10-85.1175.9174.900108.6
2Y33.1Very low53.2Low244 Ų244137.6 Ų137.696%0.95770%0.696SS**  trans-108.6104.9155.2-84.9-81.9000105.7K4Y2-K4 PolarHBondContact O-N 3.32Å
3T33.9Very low56.4Low126 Ų126136.5 Ų136.577%0.77369%0.691SS**  trans-60.1132177.140.30000108.6S5T3-S5 PolarHBondContact O-N 3.47Å
4K35Very low59.1Low209 Ų209129.9 Ų129.991%0.90967%0.673SS**  trans-43.4111.5168.8-74.2172.8175.3172.90107.8Y2 S6Y2-K4 PolarHBondContact O-N 3.32Å; K4-S6 PolarHBondContact O-N 3.49Å; K4-S6 VanDerWaalsContact O-N 3.11Å
5S35.4Very low61.7Low109 Ų109124.2 Ų124.276%0.76265%0.645SS**  trans-55.9122.9166.751.20000106.5T3 R7T3-S5 PolarHBondContact O-N 3.47Å; S5-R7 PolarHBondContact O-N 3.03Å
6S37.9Very low63.9Low112 Ų112121.2 Ų121.278%0.78363%0.629SS**  trans-42.6127.3168.939.40000108.5K4 G8K4-S6 PolarHBondContact O-N 3.49Å; K4-S6 VanDerWaalsContact O-N 3.11Å; S6-G8 PolarHBondContact O-N 3.18Å
7R43.4Very low65.9Low255 Ų255114.1 Ų114.196%0.96259%0.592SS**  trans-61.179.8174.7-73.7177.4175.8166.6-2.5108.9S5 S9S5-R7 PolarHBondContact O-N 3.03Å; R7-S9 PolarHBondContact O-N 3.41Å
8G52.9Low67.5Low64 Ų64113.4 Ų113.466%0.6659%0.589SS**  trans-59135.5163.300000107.6S6 F10S6-G8 PolarHBondContact O-N 3.18Å; G8-F10 PolarHBondContact O-N 3.33Å
9S71.8Confident69Low74 Ų74110.9 Ų110.952%0.51759%0.594SS.*  trans-57.9127.6170.2640000108R7 I11R7-S9 PolarHBondContact O-N 3.41Å; S9-I11 WeakPolarHBondContact CB-O 3.46Å; S9-I11 PolarHBondContact O-N 2.73Å; S9-I11 VanDerWaalsContact O-N 3.14Å; S9-I11 PolarHBondContact OG-O 2.91Å
10F81.4Confident70.4Confident46 Ų46107.9 Ų107.920%0.20257%0.574CS.*SBendtrans-66.9-9.2179.164.9-78.7000113G8 I34 F51 W85 R88G8-F10 PolarHBondContact O-N 3.33Å; F10-I34 HydrophobicContact CE1-CD1 3.6Å; F10-I34 HydrophobicContact CZ-CD1 3.98Å; F10-F51 HydrophobicContact CE2-CB 3.93Å; F10-F51 HydrophobicContact CE2-CD1 4.06Å; F10-F51 HydrophobicContact CE2-CG 4.07Å; F10-F51 HydrophobicContact CZ-CB 3.99Å; F10-F51 HydrophobicContact CZ-CG 4.49Å; F10-W85 WeakPolarHBondContact O-CZ3 3.22Å; F10-R88 VanDerWaalsContact CD1-CZ 3.4Å
11I88.5Confident71.8Confident2 Ų2102.8 Ų102.81%0.0155%0.546CS..SBendtrans-130.8139.1174.7-71.5162.3000107.7S9 I23 Y36 F51 W85S9-I11 WeakPolarHBondContact CB-O 3.46Å; S9-I11 PolarHBondContact O-N 2.73Å; S9-I11 VanDerWaalsContact O-N 3.14Å; S9-I11 PolarHBondContact OG-O 2.91Å; I11-I23 HydrophobicContact CG2-CB 4.32Å; I11-I23 HydrophobicContact CG2-CD1 4.15Å; I11-I23 HydrophobicContact CG2-CG1 3.75Å; I11-I23 HydrophobicContact CG2-CG2 3.84Å; I11-Y36 HydrophobicContact CB-CE2 4.36Å; I11-Y36 HydrophobicContact CD1-CD2 4.16Å; I11-Y36 HydrophobicContact CD1-CE2 3.54Å; I11-Y36 HydrophobicContact CG2-CD1 4.49Å; I11-Y36 HydrophobicContact CG2-CE1 4.05Å; I11-Y36 HydrophobicContact CG2-CE2 4.23Å; I11-F51 HydrophobicContact CD1-CB 4.27Å; I11-F51 HydrophobicContact CD1-CD1 3.68Å; I11-F51 HydrophobicContact CD1-CD2 3.31Å; I11-F51 HydrophobicContact CD1-CE1 3.68Å; I11-F51 HydrophobicContact CD1-CE2 3.31Å; I11-F51 HydrophobicContact CD1-CG 3.49Å; I11-F51 VanDerWaalsContact CD1-CG 3.49Å; I11-F51 HydrophobicContact CD1-CZ 3.5Å; I11-F51 HydrophobicContact CG1-CE1 4.47Å; I11-F51 HydrophobicContact CG1-CE2 4.47Å; I11-F51 HydrophobicContact CG1-CZ 4.34Å; I11-W85 HydrophobicContact CB-CZ3 4.47Å; I11-W85 HydrophobicContact CG1-CE3 4.16Å; I11-W85 HydrophobicContact CG1-CZ3 3.6Å
12R92.6Very high74.9Confident179 Ų17997 Ų9768%0.67551%0.512SS*.  trans-116.5152.8172.1-59.5178.4-178.7-1781110.5G14 D15R12-G14 PolarHBondContact O-N 3.46Å; R12-D15 PolarHBondContact N-OD2 3.47Å; R12-D15 WeakPolarHBondContact O-CB 3.31Å; R12-D15 PolarHBondContact O-N 3.06Å
13I94.6Very high78Confident124 Ų12485.4 Ų85.464%0.63647%0.466SS*.THydrogen-bonded Turntrans-61.7132.3168.3-65173.5000108.2R24I13-R24 WeakPolarHBondContact CG1-O 3.32Å; I13-R24 WeakPolarHBondContact CG2-O 3.34Å
14G95.3Very high81Confident43 Ų4385.7 Ų85.744%0.44345%0.453SS..THydrogen-bonded Turntrans95.9-15.9-176.100000114.6R12 I23R12-G14 PolarHBondContact O-N 3.46Å; G14-I23 PolarHBondContact N-O 2.89Å
15D97.1Very high83.9Confident45 Ų4582.4 Ų82.424%0.24144%0.439CS..  trans-57.7143.6175-73.2-13.6000110.7R12 R22 I23 W85R12-D15 PolarHBondContact N-OD2 3.47Å; R12-D15 WeakPolarHBondContact O-CB 3.31Å; R12-D15 PolarHBondContact O-N 3.06Å; D15-R22 CarbonylContact O-C 3.58Å; D15-R22 WeakPolarHBondContact O-CA 3.41Å; D15-I23 HydrophobicContact CB-CG1 4.09Å; D15-I23 PolarHBondContact O-N 3.35Å; D15-W85 HydrophobicContact CB-CH2 4.07Å; D15-W85 HydrophobicContact CB-CZ2 4.39Å; D15-W85 WeakPolarHBondContact OD2-CH2 3.38Å
16I97.4Very high86.8Confident76 Ų7681.7 Ų81.739%0.3942%0.424SS..EExtended strand (participates in β ladder)trans-109.2104.5175.6-56.4178.5000108.6G19 Y21 L41I16-G19 VanDerWaalsContact CG2-C 3.41Å; I16-Y21 CarbonylContact C-O 3.58Å; I16-Y21 WeakPolarHBondContact CA-O 3.4Å; I16-L41 HydrophobicContact CD1-CD1 4.26Å; I16-L41 HydrophobicContact CG2-CD1 4.12Å
17V97.3Very high89.4Confident0 Ų079.1 Ų79.10%040%0.4CS..EExtended strand (participates in β ladder)trans-80.1128.9179.4178.70000109G19 R20 Y21 I23 M49 F51 W85 Y90V17-G19 PolarHBondContact O-N 2.92Å; V17-G19 VanDerWaalsContact O-N 3.14Å; V17-R20 PolarHBondContact O-N 3.49Å; V17-Y21 PolarHBondContact N-O 2.96Å; V17-Y21 PolarHBondContact O-N 2.95Å; V17-I23 HydrophobicContact CG2-CD1 3.83Å; V17-I23 HydrophobicContact CG2-CG1 4.08Å; V17-M49 HydrophobicContact CB-CE 4.2Å; V17-M49 HydrophobicContact CB-SD 4.22Å; V17-M49 HydrophobicContact CG1-CE 4.05Å; V17-M49 HydrophobicContact CG1-SD 4.16Å; V17-M49 HydrophobicContact CG2-SD 4.18Å; V17-F51 HydrophobicContact CG1-CZ 4.34Å; V17-F51 HydrophobicContact CG2-CZ 4.01Å; V17-W85 HydrophobicContact CB-CG 4.48Å; V17-W85 HydrophobicContact CG1-CB 3.86Å; V17-W85 HydrophobicContact CG1-CD2 4.3Å; V17-W85 HydrophobicContact CG1-CG 3.81Å; V17-W85 HydrophobicContact CG2-CD2 4.03Å; V17-W85 HydrophobicContact CG2-CE3 4.21Å; V17-W85 HydrophobicContact CG2-CG 4.41Å; V17-Y90 HydrophobicContact CG1-CD1 4.07Å; V17-Y90 HydrophobicContact CG1-CE1 3.86Å; V17-Y90 HydrophobicContact CG1-CG 4.49Å
18N95.1Very high91.5Very high103 Ų10368.1 Ų68.155%0.55137%0.366SS*.THydrogen-bonded Turntrans52.432.8-179.9-162.428.3000114.1R20 Y90N18-R20 PolarHBondContact O-N 2.91Å; N18-Y90 WeakPolarHBondContact CB-OH 3.25Å; N18-Y90 PolarHBondContact ND2-OH 3.17Å
19G96Very high93.1Very high65 Ų6567.9 Ų67.967%0.6736%0.358SS*.THydrogen-bonded Turntrans64.63.6-177.400000115.4I16 V17I16-G19 VanDerWaalsContact CG2-C 3.41Å; V17-G19 PolarHBondContact O-N 2.92Å; V17-G19 VanDerWaalsContact O-N 3.14Å
20R97.9Very high93.3Very high51 Ų5166 Ų6619%0.19235%0.351CS..THydrogen-bonded Turntrans-124.7-43.9-168.6178.7177174.7-173.33.6113.6V17 N18 D40 L41 R42 D81V17-R20 PolarHBondContact O-N 3.49Å; N18-R20 PolarHBondContact O-N 2.91Å; R20-D40 VanDerWaalsContact CG-OD1 3.31Å; R20-D40 WeakPolarHBondContact CG-OD1 3.41Å; R20-D40 IonicContact CZ-OD1 3.98Å; R20-D40 IonicContact CZ-OD2 2.92Å; R20-D40 VanDerWaalsContact CZ-OD2 3.25Å; R20-D40 VanDerWaalsContact NE-CG 3.33Å; R20-D40 IonicContact NE-OD1 2.71Å; R20-D40 PolarHBondContact NE-OD1 3.44Å; R20-D40 IonicContact NE-OD2 3.86Å; R20-D40 PolarHBondContact NE-OD2 3.19Å; R20-D40 VanDerWaalsContact NE-OD2 3.08Å; R20-D40 IonicContact NH2-OD1 2.99Å; R20-D40 IonicContact NH2-OD2 3Å; R20-D40 PolarHBondContact NH2-OD2 3.02Å; R20-L41 WeakPolarHBondContact O-CB 3.42Å; R20-L41 WeakPolarHBondContact O-CD1 3.41Å; R20-L41 WeakPolarHBondContact O-CG 3.2Å; R20-L41 PolarHBondContact O-N 3.29Å; R20-R42 HydrophobicContact CG-CB 4.26Å; R20-D81 IonicContact NH1-OD2 3.14Å; R20-D81 PolarHBondContact NH1-OD2 3.26Å
21Y98.4Very high93Very high1 Ų166.9 Ų66.90%0.00437%0.373CS..EExtended strand (participates in β ladder)trans-105110.3-168.7-58.6-73.8000111.2I16 V17 D40 V47 M49 D81 V92I16-Y21 CarbonylContact C-O 3.58Å; I16-Y21 WeakPolarHBondContact CA-O 3.4Å; V17-Y21 PolarHBondContact N-O 2.96Å; V17-Y21 PolarHBondContact O-N 2.95Å; Y21-D40 HydrophobicContact CD1-CB 4.05Å; Y21-D40 HydrophobicContact CE1-CB 3.95Å; Y21-D40 WeakPolarHBondContact CE1-OD2 3.42Å; Y21-V47 HydrophobicContact CD1-CG2 3.79Å; Y21-V47 HydrophobicContact CE1-CG2 4.01Å; Y21-M49 HydrophobicContact CD1-CE 4.16Å; Y21-M49 HydrophobicContact CD2-CE 3.4Å; Y21-M49 HydrophobicContact CE2-CE 4.16Å; Y21-M49 HydrophobicContact CG-CE 3.37Å; Y21-D81 HydrophobicContact CE2-CB 4.46Å; Y21-D81 WeakPolarHBondContact OH-CB 3.36Å; Y21-D81 PolarHBondContact OH-OD2 2.98Å; Y21-V92 HydrophobicContact CD1-CG1 4.48Å; Y21-V92 HydrophobicContact CD2-CG2 4.28Å; Y21-V92 HydrophobicContact CE1-CG1 3.86Å; Y21-V92 HydrophobicContact CE1-CG2 4.15Å; Y21-V92 HydrophobicContact CE2-CG2 3.84Å
22R98.4Very high92.4Very high108 Ų10867.9 Ų67.941%0.40838%0.379SS..EExtended strand (participates in β ladder)trans-83.9117.6176.4-172.9-179.5-65.7140.70.9110.4D15 R24 C38 Y39D15-R22 CarbonylContact O-C 3.58Å; D15-R22 WeakPolarHBondContact O-CA 3.41Å; R22-R24 PolarHBondContact O-N 3.15Å; R22-C38 CarbonylContact O-C 3.54Å; R22-C38 VanDerWaalsContact O-CA 3.25Å; R22-C38 WeakPolarHBondContact O-CA 3.39Å; R22-Y39 PolarHBondContact N-O 2.64Å; R22-Y39 PolarHBondContact O-N 3.24Å
23I97.9Very high92.2Very high1 Ų159.4 Ų59.41%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-65.3126.7175.5-56.1-59.8000109.7I11 G14 D15 V17 Y36 C38 M49 F51I11-I23 HydrophobicContact CG2-CB 4.32Å; I11-I23 HydrophobicContact CG2-CD1 4.15Å; I11-I23 HydrophobicContact CG2-CG1 3.75Å; I11-I23 HydrophobicContact CG2-CG2 3.84Å; G14-I23 PolarHBondContact N-O 2.89Å; D15-I23 HydrophobicContact CB-CG1 4.09Å; D15-I23 PolarHBondContact O-N 3.35Å; V17-I23 HydrophobicContact CG2-CD1 3.83Å; V17-I23 HydrophobicContact CG2-CG1 4.08Å; I23-Y36 HydrophobicContact CG2-CD1 3.76Å; I23-Y36 HydrophobicContact CG2-CE1 4.38Å; I23-Y36 HydrophobicContact CG2-CG 4.21Å; I23-C38 WeakPolarHBondContact CD1-SG 3.41Å; I23-M49 HydrophobicContact CD1-SD 4.06Å; I23-F51 HydrophobicContact CD1-CE2 4.32Å
24R97.5Very high92Very high132 Ų13254.6 Ų54.650%0.49832%0.324SS..EExtended strand (participates in β ladder)trans-107.6-53.4178.3-60.3-168.870-159.35.9113.3I13 R22 S37 H46I13-R24 WeakPolarHBondContact CG1-O 3.32Å; I13-R24 WeakPolarHBondContact CG2-O 3.34Å; R22-R24 PolarHBondContact O-N 3.15Å; R24-S37 WeakPolarHBondContact CB-O 3.46Å; R24-S37 PolarHBondContact N-O 2.9Å; R24-H46 PolarHBondContact NH1-CE1 3.29Å; R24-H46 PolarHBondContact NH1-NE2 3.01Å
25K95.8Very high92Very high140 Ų14053.8 Ų53.861%0.60931%0.31SS*.EExtended strand (participates in β ladder)trans-156.2143.1-173.5-172.2-174.5172.8-178.90110.3Y36 S37K25-Y36 CarbonylContact O-C 3.59Å; K25-Y36 VanDerWaalsContact O-CA 3.28Å; K25-Y36 WeakPolarHBondContact O-CA 3.48Å; K25-S37 PolarHBondContact N-O 3.3Å; K25-S37 PolarHBondContact O-N 3.43Å
26Q95Very high92Very high95 Ų9552.1 Ų52.144%0.44430%0.3SS..EExtended strand (participates in β ladder)trans-72.3126.3166.7-170.1-177.4-43.800110I34 Y36Q26-I34 HydrophobicContact CG-CG2 3.81Å; Q26-Y36 HydrophobicContact CB-CD1 3.86Å; Q26-Y36 HydrophobicContact CB-CE1 3.73Å; Q26-Y36 HydrophobicContact CG-CD1 4.35Å; Q26-Y36 HydrophobicContact CG-CE1 4.07Å
27I93.3Very high92Very high57 Ų5749 Ų4929%0.29229%0.286SS..EExtended strand (participates in β ladder)trans-113.3-13.9-177.560.4173.9000113.6V35 A48 R102I27-V35 HydrophobicContact CD1-CG1 3.87Å; I27-V35 HydrophobicContact CG1-CB 4.12Å; I27-V35 HydrophobicContact CG1-CG1 3.76Å; I27-V35 PolarHBondContact N-O 3.41Å; I27-A48 HydrophobicContact CD1-CB 4.45Å; I27-R102 PolarHBondContact O-NH2 2.83Å
28G88.4Confident92.1Very high24 Ų2449 Ų4925%0.24729%0.286CS..EExtended strand (participates in β ladder)trans-162.6154.7175.100000112.4V35G28-V35 PolarHBondContact N-O 2.78Å; G28-V35 PolarHBondContact O-N 3.44Å
29A85.7Confident92.2Very high59 Ų5947.2 Ų47.249%0.48827%0.271SS..EExtended strand (participates in β ladder)trans-151.6127.7169.200000109.6I34A29-I34 HydrophobicContact CB-CG1 4.21Å; A29-I34 HydrophobicContact CB-CG2 4.43Å
30G76.4Confident92.3Very high35 Ų3544.2 Ų44.236%0.36124%0.24SC..EExtended strand (participates in β ladder)trans-151.3-177-178.300000111.3C32 G33 R53G30-C32 PolarHBondContact O-N 3.26Å; G30-G33 PolarHBondContact N-O 2.98Å; G30-G33 PolarHBondContact O-N 3.4Å; G30-G33 VanDerWaalsContact O-N 3.17Å; G30-R53 VanDerWaalsContact C-NH2 3.35Å; G30-R53 PolarHBondContact O-NE 3.26Å; G30-R53 PolarHBondContact O-NH2 3.04Å
31G73.9Confident92.3Very high64 Ų6444.4 Ų44.466%0.6624%0.244SC*.THydrogen-bonded Turntrans-55.2-34.8-179.100000113.7G33 Q57G31-G33 VanDerWaalsContact C-N 3.33Å; G31-G33 PolarHBondContact O-N 2.99Å; G31-Q57 PolarHBondContact O-NE2 3.23Å
32C77.2Confident92.3Very high23 Ų2353.1 Ų53.116%0.15528%0.277CS..THydrogen-bonded Turntrans-77.2-10.6-177.5-50.20000114.8G30 K50G30-C32 PolarHBondContact O-N 3.26Å; C32-K50 WeakPolarHBondContact O-CE 3.47Å
33G86.9Confident92.2Very high2 Ų252.4 Ų52.42%0.02128%0.279CS..EExtended strand (participates in β ladder)trans152.6-170.2-17700000114.9G30 G31 F51G30-G33 PolarHBondContact N-O 2.98Å; G30-G33 PolarHBondContact O-N 3.4Å; G30-G33 VanDerWaalsContact O-N 3.17Å; G31-G33 VanDerWaalsContact C-N 3.33Å; G31-G33 PolarHBondContact O-N 2.99Å; G33-F51 CarbonylContact C-O 3.59Å; G33-F51 WeakPolarHBondContact CA-O 3.44Å
34I92.3Very high92.1Very high23 Ų2357.9 Ų57.912%0.11831%0.307CS..EExtended strand (participates in β ladder)trans-123.2131.8171.9-58.9159.6000107.9F10 Q26 A29 Y36 K50 F51 R53F10-I34 HydrophobicContact CE1-CD1 3.6Å; F10-I34 HydrophobicContact CZ-CD1 3.98Å; Q26-I34 HydrophobicContact CG-CG2 3.81Å; A29-I34 HydrophobicContact CB-CG1 4.21Å; A29-I34 HydrophobicContact CB-CG2 4.43Å; I34-Y36 HydrophobicContact CB-CE2 4.08Å; I34-Y36 HydrophobicContact CG2-CD2 4.15Å; I34-Y36 HydrophobicContact CG2-CE1 4.46Å; I34-Y36 HydrophobicContact CG2-CE2 3.4Å; I34-Y36 VanDerWaalsContact CG2-CE2 3.4Å; I34-K50 CarbonylContact O-C 3.49Å; I34-K50 WeakPolarHBondContact O-CA 3.34Å; I34-F51 PolarHBondContact N-O 2.95Å; I34-F51 PolarHBondContact O-N 3.06Å; I34-R53 HydrophobicContact CG1-CG 4.39Å
35V95.3Very high92.1Very high26 Ų2653.8 Ų53.816%0.15829%0.294CS..EExtended strand (participates in β ladder)trans-111.3130.4-176.5-169.60000109.6I27 G28 A48 M49 K50 M93I27-V35 HydrophobicContact CD1-CG1 3.87Å; I27-V35 HydrophobicContact CG1-CB 4.12Å; I27-V35 HydrophobicContact CG1-CG1 3.76Å; I27-V35 PolarHBondContact N-O 3.41Å; G28-V35 PolarHBondContact N-O 2.78Å; G28-V35 PolarHBondContact O-N 3.44Å; V35-A48 HydrophobicContact CG1-CB 4.35Å; V35-M49 CarbonylContact C-O 3.59Å; V35-M49 WeakPolarHBondContact CA-O 3.4Å; V35-K50 HydrophobicContact CG2-CB 4.17Å; V35-K50 HydrophobicContact CG2-CD 4.16Å; V35-K50 HydrophobicContact CG2-CG 3.95Å; V35-M93 HydrophobicContact CG1-CE 3.86Å; V35-M93 HydrophobicContact CG2-CE 4.49Å
36Y96.9Very high92.1Very high10 Ų1050.4 Ų50.44%0.03928%0.28CS..EExtended strand (participates in β ladder)trans-116.1143.1175.5-62.4-92.6000110.4I11 I23 K25 Q26 I34 A48 M49 F51I11-Y36 HydrophobicContact CB-CE2 4.36Å; I11-Y36 HydrophobicContact CD1-CD2 4.16Å; I11-Y36 HydrophobicContact CD1-CE2 3.54Å; I11-Y36 HydrophobicContact CG2-CD1 4.49Å; I11-Y36 HydrophobicContact CG2-CE1 4.05Å; I11-Y36 HydrophobicContact CG2-CE2 4.23Å; I23-Y36 HydrophobicContact CG2-CD1 3.76Å; I23-Y36 HydrophobicContact CG2-CE1 4.38Å; I23-Y36 HydrophobicContact CG2-CG 4.21Å; K25-Y36 CarbonylContact O-C 3.59Å; K25-Y36 VanDerWaalsContact O-CA 3.28Å; K25-Y36 WeakPolarHBondContact O-CA 3.48Å; Q26-Y36 HydrophobicContact CB-CD1 3.86Å; Q26-Y36 HydrophobicContact CB-CE1 3.73Å; Q26-Y36 HydrophobicContact CG-CD1 4.35Å; Q26-Y36 HydrophobicContact CG-CE1 4.07Å; I34-Y36 HydrophobicContact CB-CE2 4.08Å; I34-Y36 HydrophobicContact CG2-CD2 4.15Å; I34-Y36 HydrophobicContact CG2-CE1 4.46Å; I34-Y36 HydrophobicContact CG2-CE2 3.4Å; I34-Y36 VanDerWaalsContact CG2-CE2 3.4Å; Y36-A48 CarbonylContact O-C 3.51Å; Y36-A48 WeakPolarHBondContact O-CA 3.3Å; Y36-M49 PolarHBondContact N-O 2.84Å; Y36-M49 PolarHBondContact O-N 2.84Å; Y36-F51 AromaticContact CD2-CD2 3.86Å; Y36-F51 HydrophobicContact CD2-CD2 3.86Å; Y36-F51 HydrophobicContact CD2-CE2 4.12Å; Y36-F51 HydrophobicContact CE2-CD2 4.08Å
37S97.2Very high92.3Very high11 Ų1145.9 Ų45.98%0.07726%0.259CS..EExtended strand (participates in β ladder)trans-78.2128.1157.9179.90000107.9R24 K25 H95R24-S37 WeakPolarHBondContact CB-O 3.46Å; R24-S37 PolarHBondContact N-O 2.9Å; K25-S37 PolarHBondContact N-O 3.3Å; K25-S37 PolarHBondContact O-N 3.43Å; S37-H95 PolarHBondContact OG-CD2 2.66Å; S37-H95 PolarHBondContact OG-NE2 2.63Å
38C98Very high92.5Very high0 Ų043.4 Ų43.40%025%0.247CC..EExtended strand (participates in β ladder)trans-123.5164.6-178.7-610000109.9R22 I23 H46 V47 M49R22-C38 CarbonylContact O-C 3.54Å; R22-C38 VanDerWaalsContact O-CA 3.25Å; R22-C38 WeakPolarHBondContact O-CA 3.39Å; I23-C38 WeakPolarHBondContact CD1-SG 3.41Å; C38-H46 WeakPolarHBondContact O-CA 3.37Å; C38-H46 PolarHBondContact O-ND1 3.22Å; C38-V47 HydrophobicContact CB-CG2 3.9Å; C38-V47 PolarHBondContact N-O 3.35Å; C38-V47 PolarHBondContact O-N 2.69Å; C38-M49 VanDerWaalsContact SG-CB 3.52Å
39Y98.3Very high92.9Very high64 Ų6442.3 Ų42.325%0.25124%0.235SC..EExtended strand (participates in β ladder)trans-114.4120.8167.4-168.7-109.8000108.8R22 L41 L44 H46R22-Y39 PolarHBondContact N-O 2.64Å; R22-Y39 PolarHBondContact O-N 3.24Å; Y39-L41 HydrophobicContact CD1-CD2 3.88Å; Y39-L41 HydrophobicContact CE1-CD2 4.35Å; Y39-L41 PolarHBondContact O-N 2.52Å; Y39-L44 HydrophobicContact CE1-CD2 4.3Å; Y39-L44 WeakPolarHBondContact CE2-O 3.48Å; Y39-L44 VanDerWaalsContact CZ-C 3.49Å; Y39-L44 VanDerWaalsContact OH-C 3.25Å; Y39-L44 WeakPolarHBondContact OH-CA 3.48Å; Y39-L44 WeakPolarHBondContact OH-CB 3.27Å; Y39-L44 PolarHBondContact OH-O 3.42Å; Y39-H46 AromaticContact CD2-CE1 3.48Å; Y39-H46 VanDerWaalsContact CD2-CE1 3.48Å; Y39-H46 WeakPolarHBondContact CD2-CE1 3.41Å; Y39-H46 AromaticContact CD2-ND1 3.75Å
40D98.3Very high93.4Very high3 Ų339.7 Ų39.72%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-75.2110.9172.6-172.8-19.6000108.8R20 Y21 R42 E43 L44 Q45 V47R20-D40 VanDerWaalsContact CG-OD1 3.31Å; R20-D40 WeakPolarHBondContact CG-OD1 3.41Å; R20-D40 IonicContact CZ-OD1 3.98Å; R20-D40 IonicContact CZ-OD2 2.92Å; R20-D40 VanDerWaalsContact CZ-OD2 3.25Å; R20-D40 VanDerWaalsContact NE-CG 3.33Å; R20-D40 IonicContact NE-OD1 2.71Å; R20-D40 PolarHBondContact NE-OD1 3.44Å; R20-D40 IonicContact NE-OD2 3.86Å; R20-D40 PolarHBondContact NE-OD2 3.19Å; R20-D40 VanDerWaalsContact NE-OD2 3.08Å; R20-D40 IonicContact NH2-OD1 2.99Å; R20-D40 IonicContact NH2-OD2 3Å; R20-D40 PolarHBondContact NH2-OD2 3.02Å; Y21-D40 HydrophobicContact CD1-CB 4.05Å; Y21-D40 HydrophobicContact CE1-CB 3.95Å; Y21-D40 WeakPolarHBondContact CE1-OD2 3.42Å; D40-R42 PolarHBondContact O-N 2.84Å; D40-R42 WeakPolarHBondContact OD1-CB 3.33Å; D40-R42 PolarHBondContact OD1-N 2.91Å; D40-E43 HydrophobicContact CB-CB 4.45Å; D40-E43 PolarHBondContact OD1-N 3.46Å; D40-E43 WeakPolarHBondContact OD2-CG 2.98Å; D40-L44 WeakPolarHBondContact O-CA 3.1Å; D40-L44 PolarHBondContact O-N 3.01Å; D40-Q45 HydrophobicContact CB-CG 4.47Å; D40-Q45 PolarHBondContact N-O 2.89Å; D40-Q45 PolarHBondContact O-N 2.95Å; D40-V47 HydrophobicContact CB-CG1 4.2Å; D40-V47 HydrophobicContact CB-CG2 4.41Å
41L98Very high94.3Very high54 Ų5438 Ų3828%0.28320%0.196SC..THydrogen-bonded Turntrans-73.1-14.2-177.8-62.2170000113.2I16 R20 Y39I16-L41 HydrophobicContact CD1-CD1 4.26Å; I16-L41 HydrophobicContact CG2-CD1 4.12Å; R20-L41 WeakPolarHBondContact O-CB 3.42Å; R20-L41 WeakPolarHBondContact O-CD1 3.41Å; R20-L41 WeakPolarHBondContact O-CG 3.2Å; R20-L41 PolarHBondContact O-N 3.29Å; Y39-L41 HydrophobicContact CD1-CD2 3.88Å; Y39-L41 HydrophobicContact CE1-CD2 4.35Å; Y39-L41 PolarHBondContact O-N 2.52Å
42R97.4Very high95.3Very high184 Ų18435 Ų3569%0.69417%0.165SC*.THydrogen-bonded Turntrans-90.2-52.7178.4-179.8-176.1168.81594.7111R20 D40 L44R20-R42 HydrophobicContact CG-CB 4.26Å; D40-R42 PolarHBondContact O-N 2.84Å; D40-R42 WeakPolarHBondContact OD1-CB 3.33Å; D40-R42 PolarHBondContact OD1-N 2.91Å; R42-L44 VanDerWaalsContact C-N 3.32Å
43E96.5Very high95.7Very high94 Ų9439.5 Ų39.544%0.43918%0.178SC..THydrogen-bonded Turntrans-88.6-1.8-177.9-54.3-56.7141.900112.8D40 Q45D40-E43 HydrophobicContact CB-CB 4.45Å; D40-E43 PolarHBondContact OD1-N 3.46Å; D40-E43 WeakPolarHBondContact OD2-CG 2.98Å; E43-Q45 VanDerWaalsContact C-N 3.28Å; E43-Q45 HydrophobicContact CB-CG 3.97Å; E43-Q45 PolarHBondContact O-N 3.2Å
44L96.3Very high95.6Very high116 Ų11641.7 Ų41.761%0.60719%0.194SC*.THydrogen-bonded Turntrans56.534.7175.6-58.2-179.9000114.8Y39 D40 R42Y39-L44 HydrophobicContact CE1-CD2 4.3Å; Y39-L44 WeakPolarHBondContact CE2-O 3.48Å; Y39-L44 VanDerWaalsContact CZ-C 3.49Å; Y39-L44 VanDerWaalsContact OH-C 3.25Å; Y39-L44 WeakPolarHBondContact OH-CA 3.48Å; Y39-L44 WeakPolarHBondContact OH-CB 3.27Å; Y39-L44 PolarHBondContact OH-O 3.42Å; D40-L44 WeakPolarHBondContact O-CA 3.1Å; D40-L44 PolarHBondContact O-N 3.01Å; R42-L44 VanDerWaalsContact C-N 3.32Å
45Q96.4Very high95.2Very high46 Ų4643.2 Ų43.222%0.21521%0.21CC..EExtended strand (participates in β ladder)trans-133.1160.9-176.461.9-176.1-24.600113.2D40 E43 V47 F153D40-Q45 HydrophobicContact CB-CG 4.47Å; D40-Q45 PolarHBondContact N-O 2.89Å; D40-Q45 PolarHBondContact O-N 2.95Å; E43-Q45 VanDerWaalsContact C-N 3.28Å; E43-Q45 HydrophobicContact CB-CG 3.97Å; E43-Q45 PolarHBondContact O-N 3.2Å; Q45-V47 HydrophobicContact CG-CG1 4.4Å; Q45-F153 HydrophobicContact CG-CZ 4.33Å
46H97.1Very high94.5Very high68 Ų6850 Ų5032%0.31524%0.242SC..EExtended strand (participates in β ladder)trans-77.1130.8173.2-76-53.5000110.8R24 C38 Y39 H95 F153R24-H46 PolarHBondContact NH1-CE1 3.29Å; R24-H46 PolarHBondContact NH1-NE2 3.01Å; C38-H46 WeakPolarHBondContact O-CA 3.37Å; C38-H46 PolarHBondContact O-ND1 3.22Å; Y39-H46 AromaticContact CD2-CE1 3.48Å; Y39-H46 VanDerWaalsContact CD2-CE1 3.48Å; Y39-H46 WeakPolarHBondContact CD2-CE1 3.41Å; Y39-H46 AromaticContact CD2-ND1 3.75Å; H46-H95 HydrophobicContact CB-CB 4.38Å; H46-H95 VanDerWaalsContact O-CB 3.27Å; H46-H95 WeakPolarHBondContact O-CB 3.35Å; H46-F153 WeakPolarHBondContact O-CE2 3.45Å
47V98.3Very high93.7Very high1 Ų151.5 Ų51.51%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-125.7155.1174.9-63.40000109.8Y21 C38 D40 Q45 L80 V92 F153Y21-V47 HydrophobicContact CD1-CG2 3.79Å; Y21-V47 HydrophobicContact CE1-CG2 4.01Å; C38-V47 HydrophobicContact CB-CG2 3.9Å; C38-V47 PolarHBondContact N-O 3.35Å; C38-V47 PolarHBondContact O-N 2.69Å; D40-V47 HydrophobicContact CB-CG1 4.2Å; D40-V47 HydrophobicContact CB-CG2 4.41Å; Q45-V47 HydrophobicContact CG-CG1 4.4Å; V47-L80 HydrophobicContact CG1-CD1 3.89Å; V47-V92 HydrophobicContact CB-CG1 3.69Å; V47-V92 HydrophobicContact CG1-CG1 4.16Å; V47-V92 HydrophobicContact CG2-CG1 3.62Å; V47-F153 HydrophobicContact CG1-CE2 4.16Å; V47-F153 HydrophobicContact CG1-CZ 4.02Å
48A97.8Very high93.1Very high5 Ų554.3 Ų54.34%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-92.8140.6168.900000109.4I27 V35 Y36 V92 M93I27-A48 HydrophobicContact CD1-CB 4.45Å; V35-A48 HydrophobicContact CG1-CB 4.35Å; Y36-A48 CarbonylContact O-C 3.51Å; Y36-A48 WeakPolarHBondContact O-CA 3.3Å; A48-V92 WeakPolarHBondContact O-CA 3.37Å; A48-M93 HydrophobicContact CB-CE 3.95Å; A48-M93 HydrophobicContact CB-CG 3.85Å; A48-M93 PolarHBondContact N-O 3.05Å; A48-M93 PolarHBondContact O-N 3.44Å
49M97.5Very high92.7Very high0 Ų056.9 Ų56.90%028%0.282CS..EExtended strand (participates in β ladder)trans-130.6114.9-179.7-172.1179.5-9200110.2V17 Y21 I23 V35 Y36 C38 F51 Y90 L91 V92V17-M49 HydrophobicContact CB-CE 4.2Å; V17-M49 HydrophobicContact CB-SD 4.22Å; V17-M49 HydrophobicContact CG1-CE 4.05Å; V17-M49 HydrophobicContact CG1-SD 4.16Å; V17-M49 HydrophobicContact CG2-SD 4.18Å; Y21-M49 HydrophobicContact CD1-CE 4.16Å; Y21-M49 HydrophobicContact CD2-CE 3.4Å; Y21-M49 HydrophobicContact CE2-CE 4.16Å; Y21-M49 HydrophobicContact CG-CE 3.37Å; I23-M49 HydrophobicContact CD1-SD 4.06Å; V35-M49 CarbonylContact C-O 3.59Å; V35-M49 WeakPolarHBondContact CA-O 3.4Å; Y36-M49 PolarHBondContact N-O 2.84Å; Y36-M49 PolarHBondContact O-N 2.84Å; C38-M49 VanDerWaalsContact SG-CB 3.52Å; M49-F51 HydrophobicContact CB-CE2 4.29Å; M49-F51 HydrophobicContact CG-CD2 4.08Å; M49-F51 HydrophobicContact CG-CE2 3.42Å; M49-F51 VanDerWaalsContact CG-CE2 3.42Å; M49-F51 HydrophobicContact CG-CZ 3.95Å; M49-F51 HydrophobicContact SD-CD2 4.44Å; M49-F51 HydrophobicContact SD-CE2 3.29Å; M49-F51 WeakPolarHBondContact SD-CE2 3.43Å; M49-F51 HydrophobicContact SD-CZ 3.33Å; M49-F51 WeakPolarHBondContact SD-CZ 3.11Å; M49-Y90 HydrophobicContact CE-CD2 3.79Å; M49-Y90 HydrophobicContact CE-CE2 3.99Å; M49-Y90 HydrophobicContact CG-CD2 4.28Å; M49-Y90 HydrophobicContact SD-CD2 4.28Å; M49-L91 CarbonylContact C-O 3.53Å; M49-L91 VanDerWaalsContact CA-O 3.31Å; M49-L91 WeakPolarHBondContact CA-O 3.12Å; M49-V92 HydrophobicContact CE-CG2 3.45Å; M49-V92 VanDerWaalsContact CE-CG2 3.45Å; M49-V92 HydrophobicContact CG-CG2 4.35Å
50K96.3Very high92.4Very high5 Ų553.8 Ų53.82%0.02227%0.27CS..EExtended strand (participates in β ladder)trans-98.5132178-171.7168-178.5176.60109.9C32 I34 V35 V60 E63 Y90 L91 M93 D163C32-K50 WeakPolarHBondContact O-CE 3.47Å; I34-K50 CarbonylContact O-C 3.49Å; I34-K50 WeakPolarHBondContact O-CA 3.34Å; V35-K50 HydrophobicContact CG2-CB 4.17Å; V35-K50 HydrophobicContact CG2-CD 4.16Å; V35-K50 HydrophobicContact CG2-CG 3.95Å; K50-V60 HydrophobicContact CG-CG2 4.15Å; K50-E63 WeakPolarHBondContact CE-OE1 3.24Å; K50-E63 IonicContact NZ-OE1 3.16Å; K50-E63 PolarHBondContact NZ-OE1 2.98Å; K50-E63 IonicContact NZ-OE2 2.64Å; K50-E63 PolarHBondContact NZ-OE2 3.16Å; K50-Y90 CarbonylContact O-C 3.55Å; K50-Y90 WeakPolarHBondContact O-CA 3.18Å; K50-L91 PolarHBondContact N-O 3.19Å; K50-L91 PolarHBondContact O-N 3.28Å; K50-M93 HydrophobicContact CB-CE 4.07Å; K50-D163 IonicContact NZ-OD1 3.64Å; K50-D163 PolarHBondContact NZ-OD1 2.9Å; K50-D163 IonicContact NZ-OD2 3.19Å; K50-D163 PolarHBondContact NZ-OD2 3.44Å
51F95.4Very high92.1Very high0 Ų059.2 Ų59.20%029%0.29CS..EExtended strand (participates in β ladder)trans-116.5145.2176.1-73.7-96.1000111.6F10 I11 V17 I23 G33 I34 Y36 M49 W85 N89 Y90F10-F51 HydrophobicContact CE2-CB 3.93Å; F10-F51 HydrophobicContact CE2-CD1 4.06Å; F10-F51 HydrophobicContact CE2-CG 4.07Å; F10-F51 HydrophobicContact CZ-CB 3.99Å; F10-F51 HydrophobicContact CZ-CG 4.49Å; I11-F51 HydrophobicContact CD1-CB 4.27Å; I11-F51 HydrophobicContact CD1-CD1 3.68Å; I11-F51 HydrophobicContact CD1-CD2 3.31Å; I11-F51 HydrophobicContact CD1-CE1 3.68Å; I11-F51 HydrophobicContact CD1-CE2 3.31Å; I11-F51 HydrophobicContact CD1-CG 3.49Å; I11-F51 VanDerWaalsContact CD1-CG 3.49Å; I11-F51 HydrophobicContact CD1-CZ 3.5Å; I11-F51 HydrophobicContact CG1-CE1 4.47Å; I11-F51 HydrophobicContact CG1-CE2 4.47Å; I11-F51 HydrophobicContact CG1-CZ 4.34Å; V17-F51 HydrophobicContact CG1-CZ 4.34Å; V17-F51 HydrophobicContact CG2-CZ 4.01Å; I23-F51 HydrophobicContact CD1-CE2 4.32Å; G33-F51 CarbonylContact C-O 3.59Å; G33-F51 WeakPolarHBondContact CA-O 3.44Å; I34-F51 PolarHBondContact N-O 2.95Å; I34-F51 PolarHBondContact O-N 3.06Å; Y36-F51 AromaticContact CD2-CD2 3.86Å; Y36-F51 HydrophobicContact CD2-CD2 3.86Å; Y36-F51 HydrophobicContact CD2-CE2 4.12Å; Y36-F51 HydrophobicContact CE2-CD2 4.08Å; M49-F51 HydrophobicContact CB-CE2 4.29Å; M49-F51 HydrophobicContact CG-CD2 4.08Å; M49-F51 HydrophobicContact CG-CE2 3.42Å; M49-F51 VanDerWaalsContact CG-CE2 3.42Å; M49-F51 HydrophobicContact CG-CZ 3.95Å; M49-F51 HydrophobicContact SD-CD2 4.44Å; M49-F51 HydrophobicContact SD-CE2 3.29Å; M49-F51 WeakPolarHBondContact SD-CE2 3.43Å; M49-F51 HydrophobicContact SD-CZ 3.33Å; M49-F51 WeakPolarHBondContact SD-CZ 3.11Å; F51-W85 HydrophobicContact CE1-CB 4.45Å; F51-W85 HydrophobicContact CE1-CE3 4.33Å; F51-N89 WeakPolarHBondContact CA-O 3.24Å; F51-Y90 VanDerWaalsContact CE1-CB 3.44Å; F51-Y90 HydrophobicContact CE1-CD1 4.26Å; F51-Y90 HydrophobicContact CE1-CG 4.15Å; F51-Y90 HydrophobicContact CZ-CG 4.38Å
52D93.1Very high91.9Very high0 Ų059.9 Ų59.90%029%0.289CS..  trans-59.5141165.4-80-46.8000110.5S54 Q57 L59 V60 R88 N89D52-S54 VanDerWaalsContact C-N 3.27Å; D52-S54 WeakPolarHBondContact CB-O 3.29Å; D52-S54 PolarHBondContact O-N 3.25Å; D52-Q57 HydrophobicContact CB-CB 4.07Å; D52-Q57 HydrophobicContact CB-CG 4.48Å; D52-Q57 WeakPolarHBondContact OD1-CG 3Å; D52-L59 PolarHBondContact OD1-N 3.39Å; D52-V60 HydrophobicContact CB-CG2 4.4Å; D52-V60 WeakPolarHBondContact OD1-CG2 3.27Å; D52-V60 PolarHBondContact OD1-N 2.92Å; D52-R88 PolarHBondContact O-NH1 3.14Å; D52-R88 VanDerWaalsContact O-NH1 3.11Å; D52-N89 PolarHBondContact N-O 3.18Å; D52-N89 VanDerWaalsContact OD2-CB 3.25Å; D52-N89 WeakPolarHBondContact OD2-CB 3.33Å; D52-N89 PolarHBondContact OD2-ND2 3.48Å
53R87Confident91.9Very high117 Ų11751.2 Ų51.244%0.44226%0.256SS..SBendtrans-69.9-25.2178.4-78.7-166.3173.3-120.90.4113.3G30 I34 R88G30-R53 VanDerWaalsContact C-NH2 3.35Å; G30-R53 PolarHBondContact O-NE 3.26Å; G30-R53 PolarHBondContact O-NH2 3.04Å; I34-R53 HydrophobicContact CG1-CG 4.39Å; R53-R88 PolarHBondContact O-NH1 3.12Å; R53-R88 PolarHBondContact O-NH2 3.31Å
54S85.4Confident91.8Very high49 Ų4949.8 Ų49.834%0.34325%0.247SC..SBendtrans-141.4157.217879.10000109.8D52 M56 Q57D52-S54 VanDerWaalsContact C-N 3.27Å; D52-S54 WeakPolarHBondContact CB-O 3.29Å; D52-S54 PolarHBondContact O-N 3.25Å; S54-M56 PolarHBondContact O-N 3.49Å; S54-M56 PolarHBondContact OG-N 3.37Å; S54-Q57 PolarHBondContact O-N 3.32Å; S54-Q57 PolarHBondContact OG-N 2.84Å
55A82.7Confident91.8Very high55 Ų5547.1 Ų47.146%0.45523%0.233SC..THydrogen-bonded Turntrans-64.9-16175.300000113.4G87A55-G87 WeakPolarHBondContact CA-O 3.26Å; A55-G87 WeakPolarHBondContact CB-O 3.41Å
56M81.2Confident91.9Very high168 Ų16845 Ų4583%0.82822%0.223SC*.THydrogen-bonded Turntrans-90.3-11.9179.5-58.5-63.9103.500112.5S54S54-M56 PolarHBondContact O-N 3.49Å; S54-M56 PolarHBondContact OG-N 3.37Å
57Q79.7Confident91.9Very high41 Ų4141.9 Ų41.919%0.19221%0.209CC..  trans-83.7144.1178.1-169.4175.439.600109.6G31 D52 S54 L59 N89G31-Q57 PolarHBondContact O-NE2 3.23Å; D52-Q57 HydrophobicContact CB-CB 4.07Å; D52-Q57 HydrophobicContact CB-CG 4.48Å; D52-Q57 WeakPolarHBondContact OD1-CG 3Å; S54-Q57 PolarHBondContact O-N 3.32Å; S54-Q57 PolarHBondContact OG-N 2.84Å; Q57-L59 HydrophobicContact CG-CB 4.09Å; Q57-L59 HydrophobicContact CG-CD1 4.19Å; Q57-L59 HydrophobicContact CG-CG 3.82Å; Q57-N89 PolarHBondContact O-ND2 3.03Å
58S85.1Confident91.9Very high70 Ų7046.2 Ų46.249%0.4923%0.231SC..  trans-128.218.8176.656.80000112.5V60 R61 W62S58-V60 VanDerWaalsContact C-N 3.28Å; S58-V60 PolarHBondContact O-N 3Å; S58-R61 WeakPolarHBondContact O-CB 3.22Å; S58-R61 PolarHBondContact O-N 3.27Å; S58-R61 VanDerWaalsContact O-N 3.1Å; S58-W62 PolarHBondContact O-N 3.41Å
59L88.6Confident91.8Very high54 Ų5448 Ų4828%0.28325%0.247SC..Hα-helixtrans-64.6-35.5-177.7-69.1-175.9000111.3D52 Q57 R61 W62 E63D52-L59 PolarHBondContact OD1-N 3.39Å; Q57-L59 HydrophobicContact CG-CB 4.09Å; Q57-L59 HydrophobicContact CG-CD1 4.19Å; Q57-L59 HydrophobicContact CG-CG 3.82Å; L59-R61 PolarHBondContact O-N 2.64Å; L59-W62 WeakPolarHBondContact O-CB 3.48Å; L59-W62 PolarHBondContact O-N 2.98Å; L59-W62 VanDerWaalsContact O-N 3.12Å; L59-E63 PolarHBondContact O-N 2.95Å
60V91.5Very high91.9Very high0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-63.3-31.9176174.80000112.3K50 D52 S58 R64 F82 N89 L91K50-V60 HydrophobicContact CG-CG2 4.15Å; D52-V60 HydrophobicContact CB-CG2 4.4Å; D52-V60 WeakPolarHBondContact OD1-CG2 3.27Å; D52-V60 PolarHBondContact OD1-N 2.92Å; S58-V60 VanDerWaalsContact C-N 3.28Å; S58-V60 PolarHBondContact O-N 3Å; V60-R64 WeakPolarHBondContact O-CB 3.35Å; V60-R64 PolarHBondContact O-N 3.13Å; V60-F82 HydrophobicContact CG1-CD2 4.42Å; V60-F82 HydrophobicContact CG1-CE2 4.12Å; V60-N89 HydrophobicContact CB-CB 4.38Å; V60-N89 HydrophobicContact CG1-CB 4.42Å; V60-L91 HydrophobicContact CG1-CB 3.39Å
61R93.6Very high91.8Very high116 Ų11651.7 Ų51.744%0.43827%0.273SS..Hα-helixtrans-68-42172.9-70.9-179.6-172.5177.83111.6S58 L59 R64 D65 F82 N89S58-R61 WeakPolarHBondContact O-CB 3.22Å; S58-R61 PolarHBondContact O-N 3.27Å; S58-R61 VanDerWaalsContact O-N 3.1Å; L59-R61 PolarHBondContact O-N 2.64Å; R61-R64 WeakPolarHBondContact O-CB 3.42Å; R61-R64 PolarHBondContact O-N 3.31Å; R61-D65 PolarHBondContact O-N 3.02Å; R61-D65 VanDerWaalsContact O-OD2 3.11Å; R61-F82 HydrophobicContact CG-CE1 4.46Å; R61-F82 HydrophobicContact CG-CE2 3.8Å; R61-F82 HydrophobicContact CG-CZ 3.46Å; R61-F82 VanDerWaalsContact CG-CZ 3.46Å; R61-N89 HydrophobicContact CG-CB 4.45Å; R61-N89 VanDerWaalsContact CZ-OD1 3.27Å; R61-N89 PolarHBondContact NE-ND2 2.84Å; R61-N89 PolarHBondContact NE-OD1 2.94Å; R61-N89 PolarHBondContact NH2-OD1 3.05Å
62W94Very high91.8Very high68 Ų6856.7 Ų56.726%0.25831%0.308SS..Hα-helixtrans-60.7-49.8175.7174.3-106.2000111.5S58 L59 R64 D65 V66 Y136 F164 A167 T169S58-W62 PolarHBondContact O-N 3.41Å; L59-W62 WeakPolarHBondContact O-CB 3.48Å; L59-W62 PolarHBondContact O-N 2.98Å; L59-W62 VanDerWaalsContact O-N 3.12Å; W62-R64 VanDerWaalsContact C-N 3.29Å; W62-R64 PolarHBondContact O-N 3.37Å; W62-D65 PolarHBondContact O-N 2.92Å; W62-V66 HydrophobicContact CD2-CG2 4.47Å; W62-V66 HydrophobicContact CZ2-CG2 4.2Å; W62-V66 WeakPolarHBondContact O-CG2 3.32Å; W62-V66 PolarHBondContact O-N 2.99Å; W62-V66 VanDerWaalsContact O-N 3.07Å; W62-Y136 AromaticContact CH2-CE1 3.88Å; W62-Y136 HydrophobicContact CH2-CE1 3.88Å; W62-Y136 HydrophobicContact CZ2-CD1 4.29Å; W62-Y136 AromaticContact CZ2-CE1 3.96Å; W62-Y136 HydrophobicContact CZ2-CE1 3.96Å; W62-F164 PolarHBondContact NE1-O 2.95Å; W62-A167 WeakPolarHBondContact CZ2-O 3.42Å; W62-A167 PolarHBondContact NE1-O 3.43Å; W62-T169 HydrophobicContact CH2-CG2 3.73Å
63E95.5Very high92.1Very high2 Ų257.4 Ų57.41%0.00931%0.313CS..Hα-helixtrans-60-40.4177.8-71.4-174.5-122.600112.3K50 L59 D65 V66 M67 L91 F164K50-E63 WeakPolarHBondContact CE-OE1 3.24Å; K50-E63 IonicContact NZ-OE1 3.16Å; K50-E63 PolarHBondContact NZ-OE1 2.98Å; K50-E63 IonicContact NZ-OE2 2.64Å; K50-E63 PolarHBondContact NZ-OE2 3.16Å; L59-E63 PolarHBondContact O-N 2.95Å; E63-D65 VanDerWaalsContact C-N 3.32Å; E63-D65 PolarHBondContact O-N 3.35Å; E63-V66 PolarHBondContact O-N 3.44Å; E63-M67 WeakPolarHBondContact O-CB 3.42Å; E63-M67 VanDerWaalsContact O-CG 3.26Å; E63-M67 WeakPolarHBondContact O-CG 3.4Å; E63-M67 PolarHBondContact O-N 2.85Å; E63-L91 HydrophobicContact CB-CD2 4.3Å; E63-F164 HydrophobicContact CG-CB 4.08Å; E63-F164 PolarHBondContact OE2-N 3.27Å
64R95.7Very high92.5Very high65 Ų6554.9 Ų54.925%0.24531%0.313CS..Hα-helixtrans-55.8-47.7171.9176.4-145.864-176.8-5.9111V60 R61 W62 V66 M67 L68 F82 L91V60-R64 WeakPolarHBondContact O-CB 3.35Å; V60-R64 PolarHBondContact O-N 3.13Å; R61-R64 WeakPolarHBondContact O-CB 3.42Å; R61-R64 PolarHBondContact O-N 3.31Å; W62-R64 VanDerWaalsContact C-N 3.29Å; W62-R64 PolarHBondContact O-N 3.37Å; R64-V66 PolarHBondContact O-N 2.54Å; R64-M67 PolarHBondContact O-N 3.45Å; R64-L68 HydrophobicContact CG-CD1 3.86Å; R64-L68 HydrophobicContact CG-CG 4.2Å; R64-L68 WeakPolarHBondContact O-CB 3.43Å; R64-L68 VanDerWaalsContact O-CG 3.28Å; R64-L68 WeakPolarHBondContact O-CG 3.28Å; R64-L68 PolarHBondContact O-N 3.15Å; R64-F82 HydrophobicContact CB-CD2 4.28Å; R64-F82 HydrophobicContact CG-CB 4.34Å; R64-F82 HydrophobicContact CG-CD2 4.29Å; R64-F82 HydrophobicContact CG-CG 4.38Å; R64-L91 HydrophobicContact CB-CD1 4.01Å; R64-L91 HydrophobicContact CB-CD2 4.32Å; R64-L91 HydrophobicContact CG-CD1 4.17Å
65D96.3Very high93.1Very high60 Ų6053.3 Ų53.332%0.32130%0.3SS..Hα-helixtrans-63.8-41.3-177.2-69.3-32.1000112.3R61 W62 E63 L68 A69R61-D65 PolarHBondContact O-N 3.02Å; R61-D65 VanDerWaalsContact O-OD2 3.11Å; W62-D65 PolarHBondContact O-N 2.92Å; E63-D65 VanDerWaalsContact C-N 3.32Å; E63-D65 PolarHBondContact O-N 3.35Å; D65-L68 PolarHBondContact O-N 2.88Å; D65-A69 PolarHBondContact O-N 3.45Å
66V97.1Very high93.9Very high0 Ų050.7 Ų50.70%028%0.279CS..Hα-helixtrans-60.7-46.5172.6-178.10000110.9W62 E63 R64 L68 A69 A70 L131 Y136 F164 A167W62-V66 HydrophobicContact CD2-CG2 4.47Å; W62-V66 HydrophobicContact CZ2-CG2 4.2Å; W62-V66 WeakPolarHBondContact O-CG2 3.32Å; W62-V66 PolarHBondContact O-N 2.99Å; W62-V66 VanDerWaalsContact O-N 3.07Å; E63-V66 PolarHBondContact O-N 3.44Å; R64-V66 PolarHBondContact O-N 2.54Å; V66-L68 PolarHBondContact O-N 3.48Å; V66-A69 PolarHBondContact O-N 3.34Å; V66-A70 WeakPolarHBondContact O-CB 3.26Å; V66-A70 PolarHBondContact O-N 2.97Å; V66-L131 HydrophobicContact CG1-CD1 3.98Å; V66-Y136 HydrophobicContact CG1-CD1 4.38Å; V66-Y136 HydrophobicContact CG1-CG 4.31Å; V66-Y136 HydrophobicContact CG2-CD1 3.91Å; V66-Y136 HydrophobicContact CG2-CE1 3.71Å; V66-F164 HydrophobicContact CB-CB 4.01Å; V66-F164 HydrophobicContact CB-CG 4.15Å; V66-F164 HydrophobicContact CG1-CB 3.93Å; V66-F164 HydrophobicContact CG1-CD1 3.74Å; V66-F164 HydrophobicContact CG1-CD2 4.28Å; V66-F164 HydrophobicContact CG1-CE1 4.37Å; V66-F164 HydrophobicContact CG1-CG 3.69Å; V66-F164 HydrophobicContact CG2-CB 4.19Å; V66-A167 HydrophobicContact CG2-CB 4.31Å
67M98Very high94.6Very high3 Ų342.8 Ų42.82%0.01524%0.24CC..Hα-helixtrans-66.9-35-179.5-71.8168.962.400113E63 R64 A70 S71 V77 N78 A79 L91 M93 F164E63-M67 WeakPolarHBondContact O-CB 3.42Å; E63-M67 VanDerWaalsContact O-CG 3.26Å; E63-M67 WeakPolarHBondContact O-CG 3.4Å; E63-M67 PolarHBondContact O-N 2.85Å; R64-M67 PolarHBondContact O-N 3.45Å; M67-A70 CarbonylContact O-C 3.52Å; M67-A70 PolarHBondContact O-N 3.39Å; M67-S71 PolarHBondContact O-N 3.46Å; M67-S71 VanDerWaalsContact O-N 3.14Å; M67-V77 HydrophobicContact CE-CB 4.46Å; M67-V77 HydrophobicContact CE-CG1 3.65Å; M67-V77 HydrophobicContact CE-CG2 4.34Å; M67-V77 HydrophobicContact CG-CG1 4.38Å; M67-V77 HydrophobicContact SD-CG1 4.02Å; M67-N78 WeakPolarHBondContact CE-O 3.29Å; M67-A79 HydrophobicContact CB-CB 3.88Å; M67-A79 HydrophobicContact CE-CB 3.89Å; M67-A79 VanDerWaalsContact CE-N 3.34Å; M67-L91 HydrophobicContact CE-CD2 4.21Å; M67-L91 HydrophobicContact SD-CD2 3.66Å; M67-M93 HydrophobicContact CE-CB 3.71Å; M67-M93 HydrophobicContact CE-SD 4.44Å; M67-F164 HydrophobicContact CG-CD2 3.58Å; M67-F164 HydrophobicContact CG-CE2 3.47Å; M67-F164 VanDerWaalsContact CG-CE2 3.47Å; M67-F164 HydrophobicContact SD-CD2 4.04Å; M67-F164 HydrophobicContact SD-CE2 4.07Å
68L97.6Very high95.5Very high92 Ų9243.4 Ų43.448%0.48224%0.244SC..Hα-helixtrans-67-43174.6-72.9174.8000111.3R64 D65 V66 A70 S71 A79R64-L68 HydrophobicContact CG-CD1 3.86Å; R64-L68 HydrophobicContact CG-CG 4.2Å; R64-L68 WeakPolarHBondContact O-CB 3.43Å; R64-L68 VanDerWaalsContact O-CG 3.28Å; R64-L68 WeakPolarHBondContact O-CG 3.28Å; R64-L68 PolarHBondContact O-N 3.15Å; D65-L68 PolarHBondContact O-N 2.88Å; V66-L68 PolarHBondContact O-N 3.48Å; L68-A70 PolarHBondContact O-N 3.31Å; L68-S71 VanDerWaalsContact O-CB 3.32Å; L68-S71 WeakPolarHBondContact O-CB 3.49Å; L68-S71 PolarHBondContact O-N 3.46Å; L68-S71 PolarHBondContact O-OG 2.77Å; L68-A79 HydrophobicContact CD2-CB 4.48Å
69A97.6Very high96.1Very high44 Ų4441.3 Ų41.336%0.36423%0.232SC..Hα-helixtrans-61.5-33.2172.900000111.9D65 V66 I134 Y136D65-A69 PolarHBondContact O-N 3.45Å; V66-A69 PolarHBondContact O-N 3.34Å; A69-I134 HydrophobicContact CB-CD1 4.07Å; A69-Y136 HydrophobicContact CB-CE2 3.96Å
70A97.8Very high96.5Very high1 Ų142.2 Ų42.21%0.00824%0.236CC..THydrogen-bonded Turntrans-86.87178.300000115.4V66 M67 L68 S72 C73 I76 I134V66-A70 WeakPolarHBondContact O-CB 3.26Å; V66-A70 PolarHBondContact O-N 2.97Å; M67-A70 CarbonylContact O-C 3.52Å; M67-A70 PolarHBondContact O-N 3.39Å; L68-A70 PolarHBondContact O-N 3.31Å; A70-S72 PolarHBondContact O-N 3.47Å; A70-C73 HydrophobicContact CB-CB 4.38Å; A70-C73 WeakPolarHBondContact O-CB 3.5Å; A70-C73 PolarHBondContact O-N 3.23Å; A70-I76 HydrophobicContact CB-CB 3.98Å; A70-I76 HydrophobicContact CB-CD1 3.61Å; A70-I76 HydrophobicContact CB-CG1 4.37Å; A70-I76 HydrophobicContact CB-CG2 3.43Å; A70-I76 VanDerWaalsContact CB-CG2 3.43Å; A70-I134 HydrophobicContact CB-CD1 3.67Å
71S96.1Very high96.7Very high80 Ų8044.4 Ų44.456%0.55925%0.248SC*.THydrogen-bonded Turntrans-58.7-16.6-173.2540000116M67 L68M67-S71 PolarHBondContact O-N 3.46Å; M67-S71 VanDerWaalsContact O-N 3.14Å; L68-S71 VanDerWaalsContact O-CB 3.32Å; L68-S71 WeakPolarHBondContact O-CB 3.49Å; L68-S71 PolarHBondContact O-N 3.46Å; L68-S71 PolarHBondContact O-OG 2.77Å
72S95.4Very high96.9Very high106 Ų10641.2 Ų41.274%0.74124%0.237SC*.THydrogen-bonded Turntrans-98.9-0.3175.160.60000114.1A70A70-S72 PolarHBondContact O-N 3.47Å
73C97.6Very high97Very high15 Ų1538.7 Ų38.710%0.10123%0.232CC..  trans-89.5125.5-174.9-63.40000110.9A70 H75 I76 Q130A70-C73 HydrophobicContact CB-CB 4.38Å; A70-C73 WeakPolarHBondContact O-CB 3.5Å; A70-C73 PolarHBondContact O-N 3.23Å; C73-H75 VanDerWaalsContact C-N 3.3Å; C73-H75 PolarHBondContact O-N 3.31Å; C73-I76 HydrophobicContact CB-CB 4.04Å; C73-I76 HydrophobicContact CB-CD1 3.79Å; C73-I76 HydrophobicContact CB-CG1 4.09Å; C73-Q130 HydrophobicContact CB-CB 4Å; C73-Q130 HydrophobicContact CB-CG 4.33Å
74S96.3Very high97Very high64 Ų6442.5 Ų42.545%0.44826%0.256SS..THydrogen-bonded Turntrans-72.1-18.6-173.462.70000115Q130 Y160S74-Q130 VanDerWaalsContact N-OE1 3.14Å; S74-Q130 PolarHBondContact OG-NE2 2.98Å; S74-Y160 WeakPolarHBondContact O-CE1 3.43Å
75H98.2Very high96.9Very high15 Ų1541.7 Ų41.77%0.06925%0.253CS..THydrogen-bonded Turntrans-11721.9-177.3-66.1-65.8000113C73 Q123 E126 A127 L159 Y160 L161C73-H75 VanDerWaalsContact C-N 3.3Å; C73-H75 PolarHBondContact O-N 3.31Å; H75-Q123 PolarHBondContact CE1-OE1 3.39Å; H75-E126 IonicContact CD2-OE2 3.46Å; H75-E126 IonicContact NE2-OE2 2.68Å; H75-E126 PolarHBondContact NE2-OE2 3.21Å; H75-E126 VanDerWaalsContact NE2-OE2 3.14Å; H75-A127 HydrophobicContact CB-CB 3.64Å; H75-L159 WeakPolarHBondContact CA-O 3.18Å; H75-L159 WeakPolarHBondContact CB-O 3.5Å; H75-L159 PolarHBondContact ND1-O 3.16Å; H75-Y160 WeakPolarHBondContact O-CA 3.5Å; H75-L161 WeakPolarHBondContact O-CB 3.39Å; H75-L161 PolarHBondContact O-N 3.39Å
76I98.3Very high96.6Very high0 Ų043.9 Ų43.90%027%0.265CS..BIsolated β-bridgetrans-120.1134.9174.5-68.2172.9000108.7A70 C73 Q130 L131 F164A70-I76 HydrophobicContact CB-CB 3.98Å; A70-I76 HydrophobicContact CB-CD1 3.61Å; A70-I76 HydrophobicContact CB-CG1 4.37Å; A70-I76 HydrophobicContact CB-CG2 3.43Å; A70-I76 VanDerWaalsContact CB-CG2 3.43Å; C73-I76 HydrophobicContact CB-CB 4.04Å; C73-I76 HydrophobicContact CB-CD1 3.79Å; C73-I76 HydrophobicContact CB-CG1 4.09Å; I76-Q130 HydrophobicContact CD1-CB 4.43Å; I76-L131 HydrophobicContact CD1-CB 4.06Å; I76-L131 HydrophobicContact CD1-CD1 4.06Å; I76-F164 HydrophobicContact CG2-CE1 4.48Å; I76-F164 HydrophobicContact CG2-CE2 4.08Å; I76-F164 HydrophobicContact CG2-CZ 3.59Å
77V97.7Very high96.3Very high3 Ų346.2 Ų46.22%0.01829%0.289CS..PPolyproline II helixtrans-58.7140.3178.164.40000111.6M67 M93 D94 L96 L161 F162 F164M67-V77 HydrophobicContact CE-CB 4.46Å; M67-V77 HydrophobicContact CE-CG1 3.65Å; M67-V77 HydrophobicContact CE-CG2 4.34Å; M67-V77 HydrophobicContact CG-CG1 4.38Å; M67-V77 HydrophobicContact SD-CG1 4.02Å; V77-M93 HydrophobicContact CG2-CB 4.27Å; V77-D94 HydrophobicContact CG2-CB 3.93Å; V77-L96 HydrophobicContact CB-CD1 4.17Å; V77-L96 HydrophobicContact CG2-CD1 3.89Å; V77-L96 HydrophobicContact CG2-CG 4.23Å; V77-L161 WeakPolarHBondContact CG1-O 3.47Å; V77-L161 PolarHBondContact N-O 2.86Å; V77-F162 HydrophobicContact CB-CB 4.07Å; V77-F162 HydrophobicContact CG1-CB 3.62Å; V77-F164 HydrophobicContact CG1-CE2 3.84Å; V77-F164 HydrophobicContact CG1-CZ 4.44Å
78N97.3Very high96Very high53 Ų5348.3 Ų48.328%0.28330%0.296SS..PPolyproline II helixtrans-86.2141-179.9-60.3-73.1000112.7M67 L80 M93 D94M67-N78 WeakPolarHBondContact CE-O 3.29Å; N78-L80 HydrophobicContact CB-CD2 4.48Å; N78-M93 WeakPolarHBondContact O-CA 3.33Å; N78-M93 VanDerWaalsContact O-CB 3.25Å; N78-M93 WeakPolarHBondContact O-CB 3.32Å; N78-D94 VanDerWaalsContact CB-OD2 3.31Å; N78-D94 WeakPolarHBondContact CB-OD2 3.42Å; N78-D94 PolarHBondContact N-OD2 2.96Å; N78-D94 VanDerWaalsContact N-OD2 3.1Å; N78-D94 PolarHBondContact ND2-OD2 2.89Å; N78-D94 PolarHBondContact O-N 3.15Å
79A97.6Very high95.9Very high27 Ų2744.3 Ų44.322%0.22328%0.275CS..EExtended strand (participates in β ladder)trans-82.6125.1163.200000109.4M67 L68 L91M67-A79 HydrophobicContact CB-CB 3.88Å; M67-A79 HydrophobicContact CE-CB 3.89Å; M67-A79 VanDerWaalsContact CE-N 3.34Å; L68-A79 HydrophobicContact CD2-CB 4.48Å; A79-L91 HydrophobicContact CB-CD1 3.81Å
80L96.9Very high95.8Very high72 Ų7242.4 Ų42.438%0.37726%0.259SS..EExtended strand (participates in β ladder)trans-102.3-37.5-176.4-59.8178.2000112.8V47 N78 V92 F153V47-L80 HydrophobicContact CG1-CD1 3.89Å; N78-L80 HydrophobicContact CB-CD2 4.48Å; L80-V92 HydrophobicContact CB-CB 4.38Å; L80-V92 HydrophobicContact CB-CG1 4.13Å; L80-V92 HydrophobicContact CD1-CG1 4.39Å; L80-V92 PolarHBondContact N-O 2.92Å; L80-F153 HydrophobicContact CD1-CE1 3.83Å; L80-F153 HydrophobicContact CD1-CE2 4.29Å; L80-F153 HydrophobicContact CD1-CZ 3.55Å; L80-F153 HydrophobicContact CD2-CE1 4.31Å
81D97.4Very high95.8Very high46 Ų4642.4 Ų42.425%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-160.2162.8179.4-160.6-1.1000109.6R20 Y21 V92R20-D81 IonicContact NH1-OD2 3.14Å; R20-D81 PolarHBondContact NH1-OD2 3.26Å; Y21-D81 HydrophobicContact CE2-CB 4.46Å; Y21-D81 WeakPolarHBondContact OH-CB 3.36Å; Y21-D81 PolarHBondContact OH-OD2 2.98Å; D81-V92 HydrophobicContact CB-CB 3.87Å; D81-V92 HydrophobicContact CB-CG2 3.93Å; D81-V92 PolarHBondContact N-O 3.04Å; D81-V92 PolarHBondContact O-N 2.75Å
82F97.1Very high95.9Very high50 Ų5038.6 Ų38.622%0.21923%0.232CC..EExtended strand (participates in β ladder)trans-150.8146.7178170.8-87.1000110.2V60 R61 R64 N89 Y90 L91V60-F82 HydrophobicContact CG1-CD2 4.42Å; V60-F82 HydrophobicContact CG1-CE2 4.12Å; R61-F82 HydrophobicContact CG-CE1 4.46Å; R61-F82 HydrophobicContact CG-CE2 3.8Å; R61-F82 HydrophobicContact CG-CZ 3.46Å; R61-F82 VanDerWaalsContact CG-CZ 3.46Å; R64-F82 HydrophobicContact CB-CD2 4.28Å; R64-F82 HydrophobicContact CG-CB 4.34Å; R64-F82 HydrophobicContact CG-CD2 4.29Å; R64-F82 HydrophobicContact CG-CG 4.38Å; F82-N89 HydrophobicContact CE2-CB 3.77Å; F82-N89 HydrophobicContact CZ-CB 3.74Å; F82-Y90 WeakPolarHBondContact CA-O 3.35Å; F82-Y90 WeakPolarHBondContact CD2-O 3.5Å; F82-Y90 WeakPolarHBondContact CE2-O 3.4Å; F82-L91 HydrophobicContact CD2-CB 4.46Å
83G96Very high96Very high14 Ų1434.3 Ų34.314%0.14420%0.2CC..EExtended strand (participates in β ladder)trans-169.9-163.4172.700000113.7N89 Y90G83-N89 CarbonylContact O-C 3.43Å; G83-N89 VanDerWaalsContact O-CA 3.3Å; G83-N89 WeakPolarHBondContact O-CA 3.45Å; G83-Y90 VanDerWaalsContact C-CD1 3.4Å; G83-Y90 VanDerWaalsContact CA-CE1 3.44Å; G83-Y90 PolarHBondContact N-O 3.03Å; G83-Y90 WeakPolarHBondContact O-CD1 3.22Å; G83-Y90 PolarHBondContact O-N 2.98Å
84T94.6Very high96Very high82 Ų8233.9 Ų33.950%0.50320%0.197SC..EExtended strand (participates in β ladder)trans-124.7135.6174.8-59.10000109.3R88 N89T84-R88 CarbonylContact C-O 3.44Å; T84-R88 VanDerWaalsContact CA-O 3.26Å; T84-R88 WeakPolarHBondContact CA-O 3.45Å; T84-N89 PolarHBondContact OG1-OD1 3.48Å
85W93.9Very high96.1Very high48 Ų4832.5 Ų32.518%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-142.8132.2176.2-171.278.7000109.8F10 I11 D15 V17 F51 G87 R88 Y90F10-W85 WeakPolarHBondContact O-CZ3 3.22Å; I11-W85 HydrophobicContact CB-CZ3 4.47Å; I11-W85 HydrophobicContact CG1-CE3 4.16Å; I11-W85 HydrophobicContact CG1-CZ3 3.6Å; D15-W85 HydrophobicContact CB-CH2 4.07Å; D15-W85 HydrophobicContact CB-CZ2 4.39Å; D15-W85 WeakPolarHBondContact OD2-CH2 3.38Å; V17-W85 HydrophobicContact CB-CG 4.48Å; V17-W85 HydrophobicContact CG1-CB 3.86Å; V17-W85 HydrophobicContact CG1-CD2 4.3Å; V17-W85 HydrophobicContact CG1-CG 3.81Å; V17-W85 HydrophobicContact CG2-CD2 4.03Å; V17-W85 HydrophobicContact CG2-CE3 4.21Å; V17-W85 HydrophobicContact CG2-CG 4.41Å; F51-W85 HydrophobicContact CE1-CB 4.45Å; F51-W85 HydrophobicContact CE1-CE3 4.33Å; W85-G87 PolarHBondContact O-N 2.97Å; W85-R88 PolarHBondContact N-O 3.46Å; W85-R88 PolarHBondContact O-N 3.36Å; W85-Y90 HydrophobicContact CB-CD1 4.02Å; W85-Y90 HydrophobicContact CB-CE1 4.15Å
86N90.5Very high96Very high107 Ų10732.9 Ų32.957%0.57219%0.186SC*.THydrogen-bonded Turntrans48.141.3-173-67.9-13.9000113.6R88N86-R88 VanDerWaalsContact C-N 3.3Å; N86-R88 PolarHBondContact O-N 3.08Å
87G90.3Very high95.9Very high49 Ų4934.1 Ų34.151%0.50520%0.198SC..THydrogen-bonded Turntrans73.512.6178.400000115.4A55 W85A55-G87 WeakPolarHBondContact CA-O 3.26Å; A55-G87 WeakPolarHBondContact CB-O 3.41Å; W85-G87 PolarHBondContact O-N 2.97Å
88R92.2Very high95.8Very high46 Ų4636.4 Ų36.417%0.17421%0.213CC..EExtended strand (participates in β ladder)trans-122.9142.9178.5-66.1169.1-178.4-129.7-1.3110.9F10 D52 R53 T84 W85 N86F10-R88 VanDerWaalsContact CD1-CZ 3.4Å; D52-R88 PolarHBondContact O-NH1 3.14Å; D52-R88 VanDerWaalsContact O-NH1 3.11Å; R53-R88 PolarHBondContact O-NH1 3.12Å; R53-R88 PolarHBondContact O-NH2 3.31Å; T84-R88 CarbonylContact C-O 3.44Å; T84-R88 VanDerWaalsContact CA-O 3.26Å; T84-R88 WeakPolarHBondContact CA-O 3.45Å; W85-R88 PolarHBondContact N-O 3.46Å; W85-R88 PolarHBondContact O-N 3.36Å; N86-R88 VanDerWaalsContact C-N 3.3Å; N86-R88 PolarHBondContact O-N 3.08Å
89N94.8Very high95.8Very high8 Ų834.6 Ų34.64%0.04320%0.204CC..EExtended strand (participates in β ladder)trans-72.4147.3173.1-46.2-69.5000110.2F51 D52 Q57 V60 R61 F82 G83 T84F51-N89 WeakPolarHBondContact CA-O 3.24Å; D52-N89 PolarHBondContact N-O 3.18Å; D52-N89 VanDerWaalsContact OD2-CB 3.25Å; D52-N89 WeakPolarHBondContact OD2-CB 3.33Å; D52-N89 PolarHBondContact OD2-ND2 3.48Å; Q57-N89 PolarHBondContact O-ND2 3.03Å; V60-N89 HydrophobicContact CB-CB 4.38Å; V60-N89 HydrophobicContact CG1-CB 4.42Å; R61-N89 HydrophobicContact CG-CB 4.45Å; R61-N89 VanDerWaalsContact CZ-OD1 3.27Å; R61-N89 PolarHBondContact NE-ND2 2.84Å; R61-N89 PolarHBondContact NE-OD1 2.94Å; R61-N89 PolarHBondContact NH2-OD1 3.05Å; F82-N89 HydrophobicContact CE2-CB 3.77Å; F82-N89 HydrophobicContact CZ-CB 3.74Å; G83-N89 CarbonylContact O-C 3.43Å; G83-N89 VanDerWaalsContact O-CA 3.3Å; G83-N89 WeakPolarHBondContact O-CA 3.45Å; T84-N89 PolarHBondContact OG1-OD1 3.48Å
90Y96.3Very high95.9Very high4 Ų433.3 Ų33.32%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-131.9147.3170.371.3-95.6000110.7V17 N18 M49 K50 F51 F82 G83 W85 V92V17-Y90 HydrophobicContact CG1-CD1 4.07Å; V17-Y90 HydrophobicContact CG1-CE1 3.86Å; V17-Y90 HydrophobicContact CG1-CG 4.49Å; N18-Y90 WeakPolarHBondContact CB-OH 3.25Å; N18-Y90 PolarHBondContact ND2-OH 3.17Å; M49-Y90 HydrophobicContact CE-CD2 3.79Å; M49-Y90 HydrophobicContact CE-CE2 3.99Å; M49-Y90 HydrophobicContact CG-CD2 4.28Å; M49-Y90 HydrophobicContact SD-CD2 4.28Å; K50-Y90 CarbonylContact O-C 3.55Å; K50-Y90 WeakPolarHBondContact O-CA 3.18Å; F51-Y90 VanDerWaalsContact CE1-CB 3.44Å; F51-Y90 HydrophobicContact CE1-CD1 4.26Å; F51-Y90 HydrophobicContact CE1-CG 4.15Å; F51-Y90 HydrophobicContact CZ-CG 4.38Å; F82-Y90 WeakPolarHBondContact CA-O 3.35Å; F82-Y90 WeakPolarHBondContact CD2-O 3.5Å; F82-Y90 WeakPolarHBondContact CE2-O 3.4Å; G83-Y90 VanDerWaalsContact C-CD1 3.4Å; G83-Y90 VanDerWaalsContact CA-CE1 3.44Å; G83-Y90 PolarHBondContact N-O 3.03Å; G83-Y90 WeakPolarHBondContact O-CD1 3.22Å; G83-Y90 PolarHBondContact O-N 2.98Å; W85-Y90 HydrophobicContact CB-CD1 4.02Å; W85-Y90 HydrophobicContact CB-CE1 4.15Å; Y90-V92 HydrophobicContact CD2-CG2 3.87Å; Y90-V92 HydrophobicContact CE2-CG2 3.84Å
91L97.5Very high95.9Very high1 Ų132.7 Ų32.71%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-122125.6173173.161.4000108.1M49 K50 V60 E63 R64 M67 A79 F82M49-L91 CarbonylContact C-O 3.53Å; M49-L91 VanDerWaalsContact CA-O 3.31Å; M49-L91 WeakPolarHBondContact CA-O 3.12Å; K50-L91 PolarHBondContact N-O 3.19Å; K50-L91 PolarHBondContact O-N 3.28Å; V60-L91 HydrophobicContact CG1-CB 3.39Å; E63-L91 HydrophobicContact CB-CD2 4.3Å; R64-L91 HydrophobicContact CB-CD1 4.01Å; R64-L91 HydrophobicContact CB-CD2 4.32Å; R64-L91 HydrophobicContact CG-CD1 4.17Å; M67-L91 HydrophobicContact CE-CD2 4.21Å; M67-L91 HydrophobicContact SD-CD2 3.66Å; A79-L91 HydrophobicContact CB-CD1 3.81Å; F82-L91 HydrophobicContact CD2-CB 4.46Å
92V98.2Very high95.9Very high0 Ų037.2 Ų37.20%021%0.208CC..EExtended strand (participates in β ladder)trans-94.5131.9170.6-171.30000107.6Y21 V47 A48 M49 L80 D81 Y90Y21-V92 HydrophobicContact CD1-CG1 4.48Å; Y21-V92 HydrophobicContact CD2-CG2 4.28Å; Y21-V92 HydrophobicContact CE1-CG1 3.86Å; Y21-V92 HydrophobicContact CE1-CG2 4.15Å; Y21-V92 HydrophobicContact CE2-CG2 3.84Å; V47-V92 HydrophobicContact CB-CG1 3.69Å; V47-V92 HydrophobicContact CG1-CG1 4.16Å; V47-V92 HydrophobicContact CG2-CG1 3.62Å; A48-V92 WeakPolarHBondContact O-CA 3.37Å; M49-V92 HydrophobicContact CE-CG2 3.45Å; M49-V92 VanDerWaalsContact CE-CG2 3.45Å; M49-V92 HydrophobicContact CG-CG2 4.35Å; L80-V92 HydrophobicContact CB-CB 4.38Å; L80-V92 HydrophobicContact CB-CG1 4.13Å; L80-V92 HydrophobicContact CD1-CG1 4.39Å; L80-V92 PolarHBondContact N-O 2.92Å; D81-V92 HydrophobicContact CB-CB 3.87Å; D81-V92 HydrophobicContact CB-CG2 3.93Å; D81-V92 PolarHBondContact N-O 3.04Å; D81-V92 PolarHBondContact O-N 2.75Å; Y90-V92 HydrophobicContact CD2-CG2 3.87Å; Y90-V92 HydrophobicContact CE2-CG2 3.84Å
93M98.1Very high95.8Very high16 Ų1635.9 Ų35.98%0.07920%0.203CC..EExtended strand (participates in β ladder)trans-142.5169.6-176.562.3-167.417300110.5V35 A48 K50 M67 V77 N78 H95V35-M93 HydrophobicContact CG1-CE 3.86Å; V35-M93 HydrophobicContact CG2-CE 4.49Å; A48-M93 HydrophobicContact CB-CE 3.95Å; A48-M93 HydrophobicContact CB-CG 3.85Å; A48-M93 PolarHBondContact N-O 3.05Å; A48-M93 PolarHBondContact O-N 3.44Å; K50-M93 HydrophobicContact CB-CE 4.07Å; M67-M93 HydrophobicContact CE-CB 3.71Å; M67-M93 HydrophobicContact CE-SD 4.44Å; V77-M93 HydrophobicContact CG2-CB 4.27Å; N78-M93 WeakPolarHBondContact O-CA 3.33Å; N78-M93 VanDerWaalsContact O-CB 3.25Å; N78-M93 WeakPolarHBondContact O-CB 3.32Å; M93-H95 PolarHBondContact O-N 2.86Å
94D97.4Very high95.9Very high7 Ų736 Ų364%0.03720%0.201CC..  trans-50.1133.2175.7-64.4-21.7000111V77 N78 L96 F153V77-D94 HydrophobicContact CG2-CB 3.93Å; N78-D94 VanDerWaalsContact CB-OD2 3.31Å; N78-D94 WeakPolarHBondContact CB-OD2 3.42Å; N78-D94 PolarHBondContact N-OD2 2.96Å; N78-D94 VanDerWaalsContact N-OD2 3.1Å; N78-D94 PolarHBondContact ND2-OD2 2.89Å; N78-D94 PolarHBondContact O-N 3.15Å; D94-L96 VanDerWaalsContact C-N 3.35Å; D94-L96 HydrophobicContact CB-CD2 4.02Å; D94-L96 HydrophobicContact CB-CG 4.41Å; D94-L96 PolarHBondContact O-N 3.14Å; D94-L96 VanDerWaalsContact O-N 3.1Å; D94-F153 HydrophobicContact CB-CB 3.76Å; D94-F153 HydrophobicContact CB-CD1 4.23Å; D94-F153 HydrophobicContact CB-CD2 4.11Å; D94-F153 HydrophobicContact CB-CG 3.8Å; D94-F153 WeakPolarHBondContact OD1-CD1 3.49Å
95H97.4Very high96Very high35 Ų3534.7 Ų34.716%0.16220%0.199CC..  trans-82.184.9170.8-170.3-63.5000109.9S37 H46 M93 N150 F153S37-H95 PolarHBondContact OG-CD2 2.66Å; S37-H95 PolarHBondContact OG-NE2 2.63Å; H46-H95 HydrophobicContact CB-CB 4.38Å; H46-H95 VanDerWaalsContact O-CB 3.27Å; H46-H95 WeakPolarHBondContact O-CB 3.35Å; M93-H95 PolarHBondContact O-N 2.86Å; H95-N150 WeakPolarHBondContact O-CB 3.36Å; H95-N150 PolarHBondContact O-ND2 2.98Å; H95-F153 HydrophobicContact CB-CD2 4.14Å; H95-F153 HydrophobicContact CB-CE2 4.23Å
96L97.2Very high96.1Very high23 Ų2338.7 Ų38.712%0.1222%0.224CC..  trans-65.6167.2178.6-58.4178.6000113V77 D94 A147 Y160 F162V77-L96 HydrophobicContact CB-CD1 4.17Å; V77-L96 HydrophobicContact CG2-CD1 3.89Å; V77-L96 HydrophobicContact CG2-CG 4.23Å; D94-L96 VanDerWaalsContact C-N 3.35Å; D94-L96 HydrophobicContact CB-CD2 4.02Å; D94-L96 HydrophobicContact CB-CG 4.41Å; D94-L96 PolarHBondContact O-N 3.14Å; D94-L96 VanDerWaalsContact O-N 3.1Å; L96-A147 HydrophobicContact CB-CB 3.95Å; L96-A147 HydrophobicContact CD1-CB 3.92Å; L96-Y160 HydrophobicContact CD2-CD2 3.76Å; L96-Y160 HydrophobicContact CD2-CE2 4.43Å; L96-Y160 HydrophobicContact CD2-CG 3.94Å; L96-F162 HydrophobicContact CD1-CB 4.31Å; L96-F162 HydrophobicContact CD1-CD1 4.24Å; L96-F162 HydrophobicContact CD1-CG 4.42Å
97G96.4Very high96.3Very high25 Ų2536.8 Ų36.826%0.25821%0.211SC..  trans-78.9-158.4173.900000112.5L148 N150G97-L148 WeakPolarHBondContact CA-O 3.1Å; G97-L148 PolarHBondContact N-O 3.29Å; G97-N150 VanDerWaalsContact N-CB 3.34Å
98P95.9Very high96.4Very high51 Ų5142.2 Ų42.233%0.33123%0.227SC..  trans-63.6141.4176.128.2-33.7000110.9R102 D103 A147 L148P98-R102 HydrophobicContact CB-CB 4.19Å; P98-D103 HydrophobicContact CB-CB 4.33Å; P98-D103 HydrophobicContact CG-CB 4.26Å; P98-A147 WeakPolarHBondContact O-CA 3.4Å; P98-L148 HydrophobicContact CG-CD1 4.25Å; P98-L148 PolarHBondContact O-N 2.86Å; P98-L148 VanDerWaalsContact O-N 3.07Å
99D97.4Very high96.6Very high16 Ų1642.9 Ų42.99%0.08625%0.249CC..BIsolated β-bridgetrans-68.1160164.865.374.1000111S101 R102 D103 F146 A147 F162D99-S101 PolarHBondContact O-N 3.11Å; D99-S101 WeakPolarHBondContact OD1-CA 3.36Å; D99-S101 WeakPolarHBondContact OD1-CB 3.44Å; D99-S101 PolarHBondContact OD1-N 3.25Å; D99-R102 PolarHBondContact O-N 3.05Å; D99-R102 PolarHBondContact OD1-N 3.34Å; D99-R102 WeakPolarHBondContact OD2-CD 3.39Å; D99-R102 WeakPolarHBondContact OD2-CG 3.26Å; D99-R102 IonicContact OD2-CZ 3.81Å; D99-R102 IonicContact OD2-NE 3.8Å; D99-R102 PolarHBondContact OD2-NE 2.65Å; D99-D103 PolarHBondContact O-N 3.26Å; D99-F146 CarbonylContact C-O 3.45Å; D99-F146 WeakPolarHBondContact CA-O 3.27Å; D99-F146 WeakPolarHBondContact CB-O 3.33Å; D99-A147 HydrophobicContact CB-CB 4.25Å; D99-F162 HydrophobicContact CB-CE1 4.23Å; D99-F162 HydrophobicContact CB-CZ 4.19Å
100L98Very high96.7Very high0 Ų046.9 Ų46.90%027%0.27CS..Hα-helixtrans-63.7-25.1-175.6-65.1-177.1000113V104 Y112 F120 M124 P143 F146 L148 L159 L213L100-V104 WeakPolarHBondContact O-CB 3.39Å; L100-V104 VanDerWaalsContact O-CG1 3.29Å; L100-V104 WeakPolarHBondContact O-CG1 3.43Å; L100-V104 PolarHBondContact O-N 3.21Å; L100-Y112 HydrophobicContact CD2-CE2 4.25Å; L100-Y112 PolarHBondContact O-OH 2.89Å; L100-F120 HydrophobicContact CD2-CD2 3.7Å; L100-F120 HydrophobicContact CD2-CE2 3.66Å; L100-F120 HydrophobicContact CD2-CG 4.27Å; L100-F120 HydrophobicContact CD2-CZ 4.27Å; L100-M124 HydrophobicContact CD1-SD 4.09Å; L100-P143 HydrophobicContact CB-CB 4.02Å; L100-P143 WeakPolarHBondContact CB-O 3.38Å; L100-P143 PolarHBondContact N-O 3.19Å; L100-F146 HydrophobicContact CD1-CB 3.81Å; L100-F146 HydrophobicContact CG-CB 4Å; L100-F146 PolarHBondContact N-O 3.27Å; L100-L148 HydrophobicContact CD2-CD2 4.45Å; L100-L159 HydrophobicContact CD1-CD1 3.94Å; L100-L159 HydrophobicContact CD1-CD2 4.01Å; L100-L159 HydrophobicContact CD2-CD1 3.63Å; L100-L159 HydrophobicContact CG-CD1 3.77Å; L100-L213 HydrophobicContact CB-CD1 4.42Å; L100-L213 HydrophobicContact CB-CD2 4.22Å; L100-L213 HydrophobicContact CD1-CD1 3.91Å
101S97.4Very high96.8Very high58 Ų5849.5 Ų49.541%0.40628%0.284SS..Hα-helixtrans-68.5-41174.3-169.90000111.1D99 V104 A105D99-S101 PolarHBondContact O-N 3.11Å; D99-S101 WeakPolarHBondContact OD1-CA 3.36Å; D99-S101 WeakPolarHBondContact OD1-CB 3.44Å; D99-S101 PolarHBondContact OD1-N 3.25Å; S101-V104 WeakPolarHBondContact O-CG1 3.36Å; S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.03Å
102R96.9Very high96.7Very high141 Ų14149.5 Ų49.553%0.53228%0.283SS..Hα-helixtrans-73.8-39.1175-67.6179.5-173.9174.93.4112.7I27 P98 D99 A105 N106I27-R102 PolarHBondContact O-NH2 2.83Å; P98-R102 HydrophobicContact CB-CB 4.19Å; D99-R102 PolarHBondContact O-N 3.05Å; D99-R102 PolarHBondContact OD1-N 3.34Å; D99-R102 WeakPolarHBondContact OD2-CD 3.39Å; D99-R102 WeakPolarHBondContact OD2-CG 3.26Å; D99-R102 IonicContact OD2-CZ 3.81Å; D99-R102 IonicContact OD2-NE 3.8Å; D99-R102 PolarHBondContact OD2-NE 2.65Å; R102-A105 PolarHBondContact O-N 3.01Å; R102-N106 PolarHBondContact O-ND2 3.11Å
103D96.8Very high96.7Very high22 Ų2252 Ų5212%0.11830%0.301CS..Hα-helixtrans-66.6-41.3179.9-177.166.9000111.6P98 D99 A105 N106 Q107 Y112 K116P98-D103 HydrophobicContact CB-CB 4.33Å; P98-D103 HydrophobicContact CG-CB 4.26Å; D99-D103 PolarHBondContact O-N 3.26Å; D103-A105 PolarHBondContact O-N 3.36Å; D103-N106 PolarHBondContact O-N 2.82Å; D103-Q107 WeakPolarHBondContact O-CG 3.18Å; D103-Q107 PolarHBondContact O-NE2 3.38Å; D103-Y112 VanDerWaalsContact CB-OH 3.28Å; D103-Y112 WeakPolarHBondContact CB-OH 3.31Å; D103-Y112 WeakPolarHBondContact OD2-CE1 3.49Å; D103-Y112 PolarHBondContact OD2-OH 3.46Å; D103-K116 IonicContact OD1-NZ 3.91Å; D103-K116 VanDerWaalsContact OD2-CE 3.27Å; D103-K116 WeakPolarHBondContact OD2-CE 3.18Å; D103-K116 IonicContact OD2-NZ 2.69Å; D103-K116 PolarHBondContact OD2-NZ 3.43Å
104V97.2Very high96.6Very high16 Ų1652.2 Ų52.210%0.09730%0.304CS..Hα-helixtrans-67.6-34.917879.10000112.2L100 S101 N106 Q107 N110 Y112 L213L100-V104 WeakPolarHBondContact O-CB 3.39Å; L100-V104 VanDerWaalsContact O-CG1 3.29Å; L100-V104 WeakPolarHBondContact O-CG1 3.43Å; L100-V104 PolarHBondContact O-N 3.21Å; S101-V104 WeakPolarHBondContact O-CG1 3.36Å; V104-N106 PolarHBondContact O-N 3.32Å; V104-N106 VanDerWaalsContact O-N 3.14Å; V104-Q107 WeakPolarHBondContact O-CB 3.5Å; V104-Q107 PolarHBondContact O-N 3.42Å; V104-N110 WeakPolarHBondContact CG2-O 3.41Å; V104-N110 WeakPolarHBondContact O-CA 3.46Å; V104-Y112 VanDerWaalsContact CA-CE1 3.47Å; V104-Y112 HydrophobicContact CB-CD1 4.21Å; V104-Y112 HydrophobicContact CB-CE1 3.62Å; V104-Y112 HydrophobicContact CB-CE2 4.14Å; V104-Y112 HydrophobicContact CG2-CD1 3.75Å; V104-Y112 HydrophobicContact CG2-CD2 4.33Å; V104-Y112 HydrophobicContact CG2-CE1 3.7Å; V104-Y112 HydrophobicContact CG2-CE2 4.28Å; V104-Y112 HydrophobicContact CG2-CG 4.05Å; V104-Y112 PolarHBondContact N-OH 3.28Å; V104-L213 HydrophobicContact CB-CD2 3.94Å; V104-L213 HydrophobicContact CG1-CD2 3.95Å; V104-L213 HydrophobicContact CG2-CD2 4.19Å
105A96.8Very high96.5Very high55 Ų5552.2 Ų52.246%0.45530%0.304SS..THydrogen-bonded Turntrans-64.8-15.4177.100000114S101 R102 D103 N110S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.03Å; R102-A105 PolarHBondContact O-N 3.01Å; D103-A105 PolarHBondContact O-N 3.36Å; A105-N110 PolarHBondContact O-OD1 3.16Å
106N95.5Very high96.5Very high132 Ų13251.4 Ų51.471%0.70630%0.3SS*.THydrogen-bonded Turntrans-95.22.4173.8-66-49.4000113R102 D103 V104R102-N106 PolarHBondContact O-ND2 3.11Å; D103-N106 PolarHBondContact O-N 2.82Å; V104-N106 PolarHBondContact O-N 3.32Å; V104-N106 VanDerWaalsContact O-N 3.14Å
107Q94.9Very high96.5Very high67 Ų6750.3 Ų50.331%0.31329%0.294SS..SBendtrans-93.7158.9178.7-53-61.9-53.500111.3D103 V104 G109 N110 I111 Y112D103-Q107 WeakPolarHBondContact O-CG 3.18Å; D103-Q107 PolarHBondContact O-NE2 3.38Å; V104-Q107 WeakPolarHBondContact O-CB 3.5Å; V104-Q107 PolarHBondContact O-N 3.42Å; Q107-G109 PolarHBondContact O-N 3.06Å; Q107-N110 PolarHBondContact O-N 3.32Å; Q107-I111 WeakPolarHBondContact CB-O 3.36Å; Q107-Y112 HydrophobicContact CG-CD1 3.82Å; Q107-Y112 HydrophobicContact CG-CE1 3.72Å
108I92.8Very high96.6Very high164 Ų16449.1 Ų49.184%0.84128%0.282SS*.G310 helixtrans-59.5126.2174.8-61.2173000109.1N110I108-N110 PolarHBondContact O-N 3.02Å
109G95.5Very high96.6Very high60 Ų6049.4 Ų49.462%0.61928%0.276SS*.G310 helixtrans70.68.9179.900000114.6Q107 I111Q107-G109 PolarHBondContact O-N 3.06Å; G109-I111 PolarHBondContact O-N 3.27Å
110N97.3Very high96.7Very high92 Ų9248.7 Ų48.749%0.49227%0.273SS..G310 helixtrans55.935.7-175.2-54.1-24.6000113.1V104 A105 Q107 I108V104-N110 WeakPolarHBondContact CG2-O 3.41Å; V104-N110 WeakPolarHBondContact O-CA 3.46Å; A105-N110 PolarHBondContact O-OD1 3.16Å; Q107-N110 PolarHBondContact O-N 3.32Å; I108-N110 PolarHBondContact O-N 3.02Å
111I97.7Very high96.7Very high59 Ų5948.7 Ų48.730%0.30327%0.273SS..  trans-131.2154.8177.862.8173.6000111.4Q107 G109 G216Q107-I111 WeakPolarHBondContact CB-O 3.36Å; G109-I111 PolarHBondContact O-N 3.27Å; I111-G216 VanDerWaalsContact CG2-N 3.31Å
112Y97.4Very high96.7Very high0 Ų049.2 Ų49.20%027%0.266CS..  trans-91140.3168.7-72-26.3000111.7L100 D103 V104 Q107 K116 I117 F120 L213 Y246L100-Y112 HydrophobicContact CD2-CE2 4.25Å; L100-Y112 PolarHBondContact O-OH 2.89Å; D103-Y112 VanDerWaalsContact CB-OH 3.28Å; D103-Y112 WeakPolarHBondContact CB-OH 3.31Å; D103-Y112 WeakPolarHBondContact OD2-CE1 3.49Å; D103-Y112 PolarHBondContact OD2-OH 3.46Å; V104-Y112 VanDerWaalsContact CA-CE1 3.47Å; V104-Y112 HydrophobicContact CB-CD1 4.21Å; V104-Y112 HydrophobicContact CB-CE1 3.62Å; V104-Y112 HydrophobicContact CB-CE2 4.14Å; V104-Y112 HydrophobicContact CG2-CD1 3.75Å; V104-Y112 HydrophobicContact CG2-CD2 4.33Å; V104-Y112 HydrophobicContact CG2-CE1 3.7Å; V104-Y112 HydrophobicContact CG2-CE2 4.28Å; V104-Y112 HydrophobicContact CG2-CG 4.05Å; V104-Y112 PolarHBondContact N-OH 3.28Å; Q107-Y112 HydrophobicContact CG-CD1 3.82Å; Q107-Y112 HydrophobicContact CG-CE1 3.72Å; Y112-K116 HydrophobicContact CD1-CD 3.48Å; Y112-K116 VanDerWaalsContact CD1-CD 3.48Å; Y112-K116 HydrophobicContact CD1-CG 3.98Å; Y112-K116 HydrophobicContact CD2-CG 4.34Å; Y112-K116 HydrophobicContact CE1-CD 3.85Å; Y112-K116 HydrophobicContact CE1-CG 4.5Å; Y112-K116 HydrophobicContact CG-CB 4.34Å; Y112-K116 HydrophobicContact CG-CD 3.98Å; Y112-K116 HydrophobicContact CG-CG 3.93Å; Y112-I117 HydrophobicContact CD2-CD1 4.06Å; Y112-I117 HydrophobicContact CG-CD1 4.44Å; Y112-F120 HydrophobicContact CD2-CD2 4.08Å; Y112-F120 AromaticContact CE2-CD2 3.7Å; Y112-F120 HydrophobicContact CE2-CD2 3.7Å; Y112-F120 AromaticContact CE2-CE2 3.93Å; Y112-F120 HydrophobicContact CE2-CE2 3.93Å; Y112-F120 AromaticContact CZ-CE2 3.98Å; Y112-L213 HydrophobicContact CD2-CB 3.91Å; Y112-L213 HydrophobicContact CD2-CD1 4.36Å; Y112-L213 HydrophobicContact CD2-CD2 4.05Å; Y112-L213 HydrophobicContact CD2-CG 4.33Å; Y112-L213 HydrophobicContact CE2-CB 4.32Å; Y112-L213 HydrophobicContact CE2-CD1 4.14Å; Y112-L213 HydrophobicContact CE2-CD2 3.61Å; Y112-L213 HydrophobicContact CE2-CG 4.24Å; Y112-L213 PolarHBondContact N-O 3.38Å; Y112-Y246 WeakPolarHBondContact O-CE1 3.42Å; Y112-Y246 PolarHBondContact O-OH 3.13Å
113S96.1Very high96.8Very high53 Ų5343.2 Ų43.237%0.37124%0.244SC..  trans-62.9158.4169.560.90000111.5I115 K116 I117S113-I115 VanDerWaalsContact C-N 3.27Å; S113-I115 PolarHBondContact O-N 2.79Å; S113-I115 WeakPolarHBondContact OG-CG2 3.4Å; S113-K116 PolarHBondContact O-N 2.79Å; S113-I117 PolarHBondContact O-N 2.9Å
114P97Very high96.9Very high20 Ų2042.1 Ų42.113%0.1324%0.238CC..Hα-helixtrans-51.7-41.7178-32.237.8000114.6K116 I117 A118 Q245 Y246 L281P114-K116 PolarHBondContact O-N 2.92Å; P114-I117 PolarHBondContact O-N 3.37Å; P114-A118 WeakPolarHBondContact O-CB 3.39Å; P114-A118 PolarHBondContact O-N 3.15Å; P114-Q245 VanDerWaalsContact CB-O 3.32Å; P114-Q245 WeakPolarHBondContact CB-O 3.44Å; P114-Q245 HydrophobicContact CG-CB 3.94Å; P114-Q245 HydrophobicContact CG-CG 3.73Å; P114-Y246 HydrophobicContact CB-CD1 4.12Å; P114-Y246 HydrophobicContact CB-CE1 4.23Å; P114-Y246 HydrophobicContact CG-CD1 3.97Å; P114-Y246 HydrophobicContact CG-CE1 3.75Å; P114-L281 HydrophobicContact CB-CD1 3.72Å
115I96.1Very high97Very high8 Ų841.4 Ų41.44%0.04123%0.233CC..Hα-helixtrans-66-38.8179.1-17362.3000111.6S113 A118 Y119 V278 L281 P289S113-I115 VanDerWaalsContact C-N 3.27Å; S113-I115 PolarHBondContact O-N 2.79Å; S113-I115 WeakPolarHBondContact OG-CG2 3.4Å; I115-A118 PolarHBondContact O-N 2.76Å; I115-Y119 HydrophobicContact CD1-CD2 4.01Å; I115-Y119 HydrophobicContact CD1-CE2 3.61Å; I115-Y119 HydrophobicContact CG1-CD2 3.89Å; I115-Y119 HydrophobicContact CG1-CE2 3.68Å; I115-Y119 WeakPolarHBondContact O-CD2 3.28Å; I115-Y119 PolarHBondContact O-N 3.07Å; I115-V278 HydrophobicContact CD1-CB 4.35Å; I115-V278 HydrophobicContact CD1-CG1 4.22Å; I115-V278 HydrophobicContact CD1-CG2 4.27Å; I115-L281 HydrophobicContact CB-CB 4.49Å; I115-L281 HydrophobicContact CB-CD1 3.98Å; I115-L281 HydrophobicContact CD1-CB 3.95Å; I115-L281 HydrophobicContact CD1-CD1 4.27Å; I115-P289 HydrophobicContact CG2-CG 4.38Å
116K96.2Very high97.1Very high17 Ų1740 Ų407%0.07422%0.218CC..Hα-helixtrans-69.9-41.4178.6-167.3161.1175.4175.30111.3D103 Y112 S113 P114 A118 Y119 F120 P289D103-K116 IonicContact OD1-NZ 3.91Å; D103-K116 VanDerWaalsContact OD2-CE 3.27Å; D103-K116 WeakPolarHBondContact OD2-CE 3.18Å; D103-K116 IonicContact OD2-NZ 2.69Å; D103-K116 PolarHBondContact OD2-NZ 3.43Å; Y112-K116 HydrophobicContact CD1-CD 3.48Å; Y112-K116 VanDerWaalsContact CD1-CD 3.48Å; Y112-K116 HydrophobicContact CD1-CG 3.98Å; Y112-K116 HydrophobicContact CD2-CG 4.34Å; Y112-K116 HydrophobicContact CE1-CD 3.85Å; Y112-K116 HydrophobicContact CE1-CG 4.5Å; Y112-K116 HydrophobicContact CG-CB 4.34Å; Y112-K116 HydrophobicContact CG-CD 3.98Å; Y112-K116 HydrophobicContact CG-CG 3.93Å; S113-K116 PolarHBondContact O-N 2.79Å; P114-K116 PolarHBondContact O-N 2.92Å; K116-A118 VanDerWaalsContact C-N 3.3Å; K116-A118 PolarHBondContact O-N 3.03Å; K116-Y119 PolarHBondContact O-N 2.97Å; K116-F120 HydrophobicContact CD-CE2 4.13Å; K116-F120 HydrophobicContact CG-CD2 3.91Å; K116-F120 HydrophobicContact CG-CE2 3.74Å; K116-F120 HydrophobicContact CG-CZ 4.38Å; K116-F120 PolarHBondContact O-N 3.21Å; K116-P289 HydrophobicContact CB-CB 4.35Å; K116-P289 HydrophobicContact CB-CG 3.69Å; K116-P289 HydrophobicContact CD-CB 4.16Å; K116-P289 HydrophobicContact CD-CG 4.16Å; K116-P289 HydrophobicContact CG-CB 4.42Å; K116-P289 HydrophobicContact CG-CG 3.88Å
117I98Very high97.2Very high1 Ų133.7 Ų33.71%0.00518%0.184CC..Hα-helixtrans-56.6-45.1169.8-71.8-64.7000110.8Y112 S113 P114 F120 G121 L213 A214 Y246 I249Y112-I117 HydrophobicContact CD2-CD1 4.06Å; Y112-I117 HydrophobicContact CG-CD1 4.44Å; S113-I117 PolarHBondContact O-N 2.9Å; P114-I117 PolarHBondContact O-N 3.37Å; I117-F120 PolarHBondContact O-N 3.26Å; I117-G121 WeakPolarHBondContact O-CA 3.39Å; I117-G121 PolarHBondContact O-N 3.31Å; I117-L213 HydrophobicContact CD1-CB 3.67Å; I117-A214 HydrophobicContact CD1-CB 3.84Å; I117-A214 HydrophobicContact CG1-CB 3.94Å; I117-Y246 HydrophobicContact CB-CD1 4.2Å; I117-Y246 HydrophobicContact CB-CE1 4.42Å; I117-Y246 HydrophobicContact CG1-CD1 3.98Å; I117-Y246 HydrophobicContact CG1-CE1 3.81Å; I117-Y246 HydrophobicContact CG2-CD1 4.26Å; I117-I249 HydrophobicContact CG2-CD1 3.73Å; I117-I249 HydrophobicContact CG2-CG1 4Å
118A97.9Very high97.4Very high0 Ų030.5 Ų30.50%017%0.169CC..Hα-helixtrans-63.2-45.9-179.500000112.1P114 I115 K116 R122 F274 E277 V278P114-A118 WeakPolarHBondContact O-CB 3.39Å; P114-A118 PolarHBondContact O-N 3.15Å; I115-A118 PolarHBondContact O-N 2.76Å; K116-A118 VanDerWaalsContact C-N 3.3Å; K116-A118 PolarHBondContact O-N 3.03Å; A118-R122 WeakPolarHBondContact O-CB 3.14Å; A118-R122 PolarHBondContact O-N 3.2Å; A118-R122 VanDerWaalsContact O-N 3.15Å; A118-F274 WeakPolarHBondContact O-CB 3.17Å; A118-E277 HydrophobicContact CB-CB 4.15Å; A118-E277 HydrophobicContact CB-CG 3.97Å; A118-V278 HydrophobicContact CB-CG2 3.56Å
119Y96.9Very high97.6Very high56 Ų5625.8 Ų25.822%0.2214%0.144CC..Hα-helixtrans-62.2-47.3176.5-85.8-68.9000113.5I115 K116 Q123 V278 P289 L290I115-Y119 HydrophobicContact CD1-CD2 4.01Å; I115-Y119 HydrophobicContact CD1-CE2 3.61Å; I115-Y119 HydrophobicContact CG1-CD2 3.89Å; I115-Y119 HydrophobicContact CG1-CE2 3.68Å; I115-Y119 WeakPolarHBondContact O-CD2 3.28Å; I115-Y119 PolarHBondContact O-N 3.07Å; K116-Y119 PolarHBondContact O-N 2.97Å; Y119-Q123 PolarHBondContact O-N 2.85Å; Y119-V278 HydrophobicContact CD1-CG2 4.39Å; Y119-V278 HydrophobicContact CD2-CG2 4.36Å; Y119-V278 HydrophobicContact CE1-CG1 4.09Å; Y119-V278 HydrophobicContact CE1-CG2 4.44Å; Y119-V278 HydrophobicContact CE2-CG1 4.13Å; Y119-V278 HydrophobicContact CE2-CG2 4.4Å; Y119-V278 HydrophobicContact CG-CG2 4.35Å; Y119-P289 HydrophobicContact CD2-CG 4.46Å; Y119-L290 HydrophobicContact CD1-CD1 4.3Å; Y119-L290 HydrophobicContact CG-CD1 4.19Å
120F97.9Very high97.8Very high2 Ų224.8 Ų24.81%0.00912%0.124CC..Hα-helixtrans-76.9-38.5-177.7-68.4-25.6000112.6L100 Y112 K116 I117 R122 Q123 M124 L148 L290L100-F120 HydrophobicContact CD2-CD2 3.7Å; L100-F120 HydrophobicContact CD2-CE2 3.66Å; L100-F120 HydrophobicContact CD2-CG 4.27Å; L100-F120 HydrophobicContact CD2-CZ 4.27Å; Y112-F120 HydrophobicContact CD2-CD2 4.08Å; Y112-F120 AromaticContact CE2-CD2 3.7Å; Y112-F120 HydrophobicContact CE2-CD2 3.7Å; Y112-F120 AromaticContact CE2-CE2 3.93Å; Y112-F120 HydrophobicContact CE2-CE2 3.93Å; Y112-F120 AromaticContact CZ-CE2 3.98Å; K116-F120 HydrophobicContact CD-CE2 4.13Å; K116-F120 HydrophobicContact CG-CD2 3.91Å; K116-F120 HydrophobicContact CG-CE2 3.74Å; K116-F120 HydrophobicContact CG-CZ 4.38Å; K116-F120 PolarHBondContact O-N 3.21Å; I117-F120 PolarHBondContact O-N 3.26Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 3.22Å; F120-Q123 PolarHBondContact O-N 3.37Å; F120-Q123 VanDerWaalsContact O-N 3.11Å; F120-M124 VanDerWaalsContact O-CG 3.26Å; F120-M124 WeakPolarHBondContact O-CG 3.42Å; F120-M124 PolarHBondContact O-N 3.47Å; F120-L148 HydrophobicContact CE1-CD2 3.57Å; F120-L148 HydrophobicContact CE2-CD2 4.44Å; F120-L148 HydrophobicContact CZ-CD1 4.47Å; F120-L148 HydrophobicContact CZ-CD2 3.51Å; F120-L290 HydrophobicContact CE1-CD1 4.41Å; F120-L290 HydrophobicContact CE1-CD2 3.72Å; F120-L290 HydrophobicContact CZ-CD2 3.76Å
121G98.6Very high97.8Very high0 Ų020.4 Ų20.40%010%0.1CC..Hα-helixtrans-58.2-42.9175.200000112.1I117 Q123 M124 I125I117-G121 WeakPolarHBondContact O-CA 3.39Å; I117-G121 PolarHBondContact O-N 3.31Å; G121-Q123 PolarHBondContact O-N 3.14Å; G121-M124 PolarHBondContact O-N 3.03Å; G121-I125 WeakPolarHBondContact O-CG1 3.39Å; G121-I125 PolarHBondContact O-N 2.87Å
122R98.4Very high97.8Very high68 Ų6818.7 Ų18.726%0.2579%0.091SC..Hα-helixtrans-52.4-52.8171.2-173.9-165169.2-70.9-13.8112.2A118 F120 I125 E126 I271 F274 D275A118-R122 WeakPolarHBondContact O-CB 3.14Å; A118-R122 PolarHBondContact O-N 3.2Å; A118-R122 VanDerWaalsContact O-N 3.15Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 3.22Å; R122-I125 PolarHBondContact O-N 2.76Å; R122-E126 IonicContact CZ-OE1 3.25Å; R122-E126 IonicContact CZ-OE2 3.77Å; R122-E126 IonicContact NH1-OE1 3.08Å; R122-E126 PolarHBondContact NH1-OE1 3.24Å; R122-E126 IonicContact NH1-OE2 3.38Å; R122-E126 PolarHBondContact NH1-OE2 3.4Å; R122-E126 IonicContact NH2-OE1 2.7Å; R122-E126 PolarHBondContact NH2-OE1 3.23Å; R122-E126 IonicContact NH2-OE2 3.24Å; R122-E126 PolarHBondContact O-N 2.96Å; R122-I271 HydrophobicContact CG-CG2 4.21Å; R122-F274 HydrophobicContact CB-CB 3.78Å; R122-F274 HydrophobicContact CB-CG 4.39Å; R122-F274 HydrophobicContact CG-CB 4.49Å; R122-D275 WeakPolarHBondContact CD-OD1 3.42Å; R122-D275 IonicContact NE-OD1 2.65Å; R122-D275 PolarHBondContact NE-OD1 3.24Å
123Q98.4Very high97.8Very high15 Ų1521.9 Ų21.97%0.0712%0.124CC..Hα-helixtrans-69.5-34-177.7-66.2-174.967.900112.8H75 Y119 F120 G121 I125 E126 A127 D157 T158 L159H75-Q123 PolarHBondContact CE1-OE1 3.39Å; Y119-Q123 PolarHBondContact O-N 2.85Å; F120-Q123 PolarHBondContact O-N 3.37Å; F120-Q123 VanDerWaalsContact O-N 3.11Å; G121-Q123 PolarHBondContact O-N 3.14Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; Q123-E126 PolarHBondContact O-N 3Å; Q123-A127 WeakPolarHBondContact O-CB 3.36Å; Q123-A127 PolarHBondContact O-N 3.05Å; Q123-D157 PolarHBondContact NE2-O 2.95Å; Q123-T158 VanDerWaalsContact OE1-CA 3.31Å; Q123-L159 HydrophobicContact CB-CB 3.9Å; Q123-L159 HydrophobicContact CB-CD2 4.36Å
124M98.8Very high97.8Very high0 Ų021.9 Ų21.90%012%0.119CC..Hα-helixtrans-61.7-43.1173.1-69.7172.478.300111.1L100 F120 G121 A127 I128 F146 L159 V206 L210 L213L100-M124 HydrophobicContact CD1-SD 4.09Å; F120-M124 VanDerWaalsContact O-CG 3.26Å; F120-M124 WeakPolarHBondContact O-CG 3.42Å; F120-M124 PolarHBondContact O-N 3.47Å; G121-M124 PolarHBondContact O-N 3.03Å; M124-A127 PolarHBondContact O-N 3.4Å; M124-I128 PolarHBondContact O-N 2.85Å; M124-I128 VanDerWaalsContact O-N 3.17Å; M124-F146 HydrophobicContact CB-CE1 4.14Å; M124-F146 HydrophobicContact CB-CZ 4.12Å; M124-F146 HydrophobicContact CE-CD2 3.76Å; M124-F146 HydrophobicContact CE-CE2 3.55Å; M124-F146 HydrophobicContact CE-CG 4.47Å; M124-F146 HydrophobicContact CE-CZ 4.09Å; M124-F146 HydrophobicContact CG-CD1 4.06Å; M124-F146 HydrophobicContact CG-CD2 4.41Å; M124-F146 HydrophobicContact CG-CE1 3.93Å; M124-F146 HydrophobicContact CG-CE2 4.31Å; M124-F146 HydrophobicContact CG-CG 4.27Å; M124-F146 HydrophobicContact CG-CZ 4.05Å; M124-L159 HydrophobicContact CB-CD2 4.49Å; M124-L159 HydrophobicContact CG-CD2 3.41Å; M124-L159 VanDerWaalsContact CG-CD2 3.41Å; M124-V206 HydrophobicContact CB-CG1 4.13Å; M124-V206 HydrophobicContact CE-CG1 4.03Å; M124-V206 HydrophobicContact CE-CG2 4.48Å; M124-L210 HydrophobicContact SD-CD2 3.8Å; M124-L210 HydrophobicContact SD-CG 4.33Å; M124-L213 HydrophobicContact SD-CD1 4.48Å
125I98.7Very high97.8Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-66.4-37.7176.2-61.2-60000111.5G121 R122 Q123 I128 M129 L203 V206 M252 Y267 L270 I271 F274G121-I125 WeakPolarHBondContact O-CG1 3.39Å; G121-I125 PolarHBondContact O-N 2.87Å; R122-I125 PolarHBondContact O-N 2.76Å; Q123-I125 VanDerWaalsContact C-N 3.34Å; I125-I128 HydrophobicContact CD1-CD1 3.89Å; I125-I128 WeakPolarHBondContact O-CG1 3.45Å; I125-M129 VanDerWaalsContact O-CB 3.25Å; I125-M129 WeakPolarHBondContact O-CB 3.41Å; I125-M129 PolarHBondContact O-N 3.26Å; I125-L203 HydrophobicContact CD1-CD1 3.6Å; I125-V206 HydrophobicContact CD1-CG1 3.9Å; I125-M252 HydrophobicContact CD1-CE 3.89Å; I125-Y267 HydrophobicContact CG2-CD1 4.1Å; I125-L270 HydrophobicContact CG2-CB 3.95Å; I125-I271 HydrophobicContact CB-CG1 4.17Å; I125-I271 HydrophobicContact CG2-CD1 4.34Å; I125-I271 HydrophobicContact CG2-CG1 3.69Å; I125-F274 HydrophobicContact CG1-CD2 4.33Å; I125-F274 HydrophobicContact CG1-CE2 3.76Å
126E98.5Very high97.8Very high26 Ų2623.4 Ų23.412%0.12113%0.129CC..Hα-helixtrans-65.5-41.3174.8-74.3179.8149.400112.6H75 R122 Q123 M129 Q130 I271H75-E126 IonicContact CD2-OE2 3.46Å; H75-E126 IonicContact NE2-OE2 2.68Å; H75-E126 PolarHBondContact NE2-OE2 3.21Å; H75-E126 VanDerWaalsContact NE2-OE2 3.14Å; R122-E126 IonicContact CZ-OE1 3.25Å; R122-E126 IonicContact CZ-OE2 3.77Å; R122-E126 IonicContact NH1-OE1 3.08Å; R122-E126 PolarHBondContact NH1-OE1 3.24Å; R122-E126 IonicContact NH1-OE2 3.38Å; R122-E126 PolarHBondContact NH1-OE2 3.4Å; R122-E126 IonicContact NH2-OE1 2.7Å; R122-E126 PolarHBondContact NH2-OE1 3.23Å; R122-E126 IonicContact NH2-OE2 3.24Å; R122-E126 PolarHBondContact O-N 2.96Å; Q123-E126 PolarHBondContact O-N 3Å; E126-M129 PolarHBondContact O-N 3.02Å; E126-Q130 WeakPolarHBondContact O-CB 3.41Å; E126-Q130 VanDerWaalsContact O-CG 3.26Å; E126-Q130 WeakPolarHBondContact O-CG 3.41Å; E126-Q130 PolarHBondContact O-N 3.18Å; E126-I271 HydrophobicContact CG-CD1 3.69Å; E126-I271 HydrophobicContact CG-CG1 4.21Å
127A98.6Very high97.8Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-59.6-47.7177.100000111.9H75 Q123 M124 Q130 L131 F146 L161H75-A127 HydrophobicContact CB-CB 3.64Å; Q123-A127 WeakPolarHBondContact O-CB 3.36Å; Q123-A127 PolarHBondContact O-N 3.05Å; M124-A127 PolarHBondContact O-N 3.4Å; A127-Q130 PolarHBondContact O-N 2.82Å; A127-L131 WeakPolarHBondContact O-CB 3.5Å; A127-L131 PolarHBondContact O-N 3.46Å; A127-F146 HydrophobicContact CB-CE1 3.92Å; A127-L161 HydrophobicContact CB-CB 4.07Å; A127-L161 HydrophobicContact CB-CD2 4.3Å
128I98.1Very high97.7Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-67.8-37.4177.666.5175.1000111.3M124 I125 Q130 L131 H132 L141 L203 V206 Y267M124-I128 PolarHBondContact O-N 2.85Å; M124-I128 VanDerWaalsContact O-N 3.17Å; I125-I128 HydrophobicContact CD1-CD1 3.89Å; I125-I128 WeakPolarHBondContact O-CG1 3.45Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.15Å; I128-L131 PolarHBondContact O-N 3.5Å; I128-H132 VanDerWaalsContact O-CB 3.3Å; I128-H132 WeakPolarHBondContact O-CB 3.49Å; I128-H132 PolarHBondContact O-CD2 3.47Å; I128-H132 PolarHBondContact O-N 3.4Å; I128-L141 HydrophobicContact CG2-CD1 3.53Å; I128-L141 HydrophobicContact CG2-CD2 4.04Å; I128-L141 HydrophobicContact CG2-CG 4.46Å; I128-L203 HydrophobicContact CD1-CD1 3.82Å; I128-V206 HydrophobicContact CD1-CG2 4.3Å; I128-V206 HydrophobicContact CG2-CG2 4Å; I128-Y267 HydrophobicContact CD1-CE1 4.1Å; I128-Y267 HydrophobicContact CG1-CD1 4.45Å; I128-Y267 HydrophobicContact CG1-CE1 4.15Å
129M98.3Very high97.6Very high64 Ų6424.2 Ų24.232%0.31513%0.133SC..Hα-helixtrans-61.6-42.7176.5178.9-17469.300110.9I125 E126 G133 Y267 I271I125-M129 VanDerWaalsContact O-CB 3.25Å; I125-M129 WeakPolarHBondContact O-CB 3.41Å; I125-M129 PolarHBondContact O-N 3.26Å; E126-M129 PolarHBondContact O-N 3.02Å; M129-G133 PolarHBondContact O-N 2.97Å; M129-Y267 HydrophobicContact CB-CD1 3.92Å; M129-Y267 HydrophobicContact CB-CD2 4.13Å; M129-Y267 HydrophobicContact CB-CE1 4.47Å; M129-Y267 HydrophobicContact CB-CG 3.76Å; M129-Y267 HydrophobicContact CG-CD1 4.4Å; M129-Y267 HydrophobicContact CG-CD2 3.74Å; M129-Y267 HydrophobicContact CG-CE2 4.44Å; M129-Y267 HydrophobicContact CG-CG 3.73Å; M129-Y267 HydrophobicContact SD-CD2 4.46Å; M129-Y267 HydrophobicContact SD-CG 4.22Å; M129-I271 HydrophobicContact CE-CD1 4.24Å; M129-I271 HydrophobicContact SD-CD1 4.16Å
130Q98.5Very high97.6Very high40 Ų4022.3 Ų22.319%0.18713%0.127CC..Hα-helixtrans-63.4-49.2176.1-75.6173.70.700111.3C73 S74 I76 E126 A127 I128 H132 G133 I134C73-Q130 HydrophobicContact CB-CB 4Å; C73-Q130 HydrophobicContact CB-CG 4.33Å; S74-Q130 VanDerWaalsContact N-OE1 3.14Å; S74-Q130 PolarHBondContact OG-NE2 2.98Å; I76-Q130 HydrophobicContact CD1-CB 4.43Å; E126-Q130 WeakPolarHBondContact O-CB 3.41Å; E126-Q130 VanDerWaalsContact O-CG 3.26Å; E126-Q130 WeakPolarHBondContact O-CG 3.41Å; E126-Q130 PolarHBondContact O-N 3.18Å; A127-Q130 PolarHBondContact O-N 2.82Å; I128-Q130 VanDerWaalsContact C-N 3.31Å; I128-Q130 PolarHBondContact O-N 3.15Å; Q130-H132 PolarHBondContact O-N 3.32Å; Q130-G133 PolarHBondContact O-N 2.68Å; Q130-I134 PolarHBondContact O-N 3.01Å
131L98.2Very high97.6Very high0 Ų022.3 Ų22.30%013%0.127CC..Hα-helixtrans-59.9-45.6178.2-173.368.5000112.1V66 I76 A127 I128 G133 I134 G135 Y136 H138 L161 F164V66-L131 HydrophobicContact CG1-CD1 3.98Å; I76-L131 HydrophobicContact CD1-CB 4.06Å; I76-L131 HydrophobicContact CD1-CD1 4.06Å; A127-L131 WeakPolarHBondContact O-CB 3.5Å; A127-L131 PolarHBondContact O-N 3.46Å; I128-L131 PolarHBondContact O-N 3.5Å; L131-G133 VanDerWaalsContact C-N 3.3Å; L131-G133 PolarHBondContact O-N 2.88Å; L131-I134 HydrophobicContact CD1-CD1 4.35Å; L131-I134 WeakPolarHBondContact O-CG1 3.4Å; L131-I134 PolarHBondContact O-N 2.86Å; L131-G135 PolarHBondContact O-N 3.45Å; L131-Y136 CarbonylContact C-O 3.53Å; L131-Y136 PolarHBondContact O-N 3.07Å; L131-Y136 VanDerWaalsContact O-N 3.16Å; L131-H138 HydrophobicContact CD2-CB 3.66Å; L131-L161 HydrophobicContact CD2-CD2 4.17Å; L131-F164 HydrophobicContact CD1-CD1 4.31Å; L131-F164 HydrophobicContact CD1-CE1 4.09Å; L131-F164 HydrophobicContact CD2-CE1 4.48Å
132H97.3Very high97.6Very high23 Ų2323.9 Ų23.911%0.10613%0.134CC..Hα-helixtrans-67.6-35178.3-62.9178000111.2I128 Q130 I134 G135 Y136 F137 P199 D202 Y267I128-H132 VanDerWaalsContact O-CB 3.3Å; I128-H132 WeakPolarHBondContact O-CB 3.49Å; I128-H132 PolarHBondContact O-CD2 3.47Å; I128-H132 PolarHBondContact O-N 3.4Å; Q130-H132 PolarHBondContact O-N 3.32Å; H132-I134 PolarHBondContact O-N 2.83Å; H132-G135 PolarHBondContact O-N 3.17Å; H132-Y136 WeakPolarHBondContact CA-O 3.14Å; H132-Y136 PolarHBondContact CD2-O 3.32Å; H132-Y136 PolarHBondContact N-O 3.17Å; H132-F137 HydrophobicContact CB-CE1 4.36Å; H132-F137 AromaticContact CD2-CD1 3.59Å; H132-F137 AromaticContact CG-CD1 3.93Å; H132-F137 AromaticContact CG-CE1 3.97Å; H132-F137 AromaticContact NE2-CD1 3.74Å; H132-P199 WeakPolarHBondContact ND1-CB 3.25Å; H132-D202 IonicContact CD2-OD2 2.7Å; H132-D202 IonicContact CE1-OD2 3.3Å; H132-D202 IonicContact NE2-OD2 3.37Å; H132-D202 PolarHBondContact NE2-OD2 2.89Å; H132-Y267 AromaticContact ND1-CZ 3.61Å; H132-Y267 PolarHBondContact ND1-OH 3.39Å
133G96.9Very high97.6Very high67 Ų6720.8 Ų20.869%0.69112%0.123SC*.Hα-helixtrans-63.2-27176.600000113.8M129 Q130 L131M129-G133 PolarHBondContact O-N 2.97Å; Q130-G133 PolarHBondContact O-N 2.68Å; L131-G133 VanDerWaalsContact C-N 3.3Å; L131-G133 PolarHBondContact O-N 2.88Å
134I96.8Very high97.5Very high52 Ų5222 Ų2227%0.26713%0.133SC..THydrogen-bonded Turntrans-94.710.3173.763.5158.8000113.3A69 A70 Q130 L131 H132 Y136A69-I134 HydrophobicContact CB-CD1 4.07Å; A70-I134 HydrophobicContact CB-CD1 3.67Å; Q130-I134 PolarHBondContact O-N 3.01Å; L131-I134 HydrophobicContact CD1-CD1 4.35Å; L131-I134 WeakPolarHBondContact O-CG1 3.4Å; L131-I134 PolarHBondContact O-N 2.86Å; H132-I134 PolarHBondContact O-N 2.83Å; I134-Y136 HydrophobicContact CD1-CD2 3.9Å; I134-Y136 HydrophobicContact CD1-CE2 4.34Å; I134-Y136 HydrophobicContact CG1-CD2 3.95Å; I134-Y136 WeakPolarHBondContact O-CD2 3.37Å
135G96Very high97.4Very high24 Ų2422.4 Ų22.425%0.24714%0.135CC..THydrogen-bonded Turntrans86.622.8171.500000115.5L131 H132 T169 A170L131-G135 PolarHBondContact O-N 3.45Å; H132-G135 PolarHBondContact O-N 3.17Å; G135-T169 CarbonylContact O-C 3.54Å; G135-T169 WeakPolarHBondContact O-CA 3.33Å; G135-A170 PolarHBondContact O-N 2.85Å
136Y96.8Very high97.4Very high36 Ų3622.4 Ų22.414%0.14114%0.135CC..EExtended strand (participates in β ladder)trans-121147.4176.9-67.9-89.9000112.2W62 V66 A69 L131 H132 I134 R168 T169W62-Y136 AromaticContact CH2-CE1 3.88Å; W62-Y136 HydrophobicContact CH2-CE1 3.88Å; W62-Y136 HydrophobicContact CZ2-CD1 4.29Å; W62-Y136 AromaticContact CZ2-CE1 3.96Å; W62-Y136 HydrophobicContact CZ2-CE1 3.96Å; V66-Y136 HydrophobicContact CG1-CD1 4.38Å; V66-Y136 HydrophobicContact CG1-CG 4.31Å; V66-Y136 HydrophobicContact CG2-CD1 3.91Å; V66-Y136 HydrophobicContact CG2-CE1 3.71Å; A69-Y136 HydrophobicContact CB-CE2 3.96Å; L131-Y136 CarbonylContact C-O 3.53Å; L131-Y136 PolarHBondContact O-N 3.07Å; L131-Y136 VanDerWaalsContact O-N 3.16Å; H132-Y136 WeakPolarHBondContact CA-O 3.14Å; H132-Y136 PolarHBondContact CD2-O 3.32Å; H132-Y136 PolarHBondContact N-O 3.17Å; I134-Y136 HydrophobicContact CD1-CD2 3.9Å; I134-Y136 HydrophobicContact CD1-CE2 4.34Å; I134-Y136 HydrophobicContact CG1-CD2 3.95Å; I134-Y136 WeakPolarHBondContact O-CD2 3.37Å; Y136-R168 CarbonylContact C-O 3.27Å; Y136-R168 WeakPolarHBondContact CA-O 3.33Å; Y136-T169 HydrophobicContact CD1-CG2 4.24Å; Y136-T169 HydrophobicContact CE1-CG2 3.76Å
137F96.1Very high97.4Very high21 Ų2121.3 Ų21.39%0.09213%0.13CC..EExtended strand (participates in β ladder)trans-114.2141.1165.6-55.9-57.1000108.7H132 A167 R168 A170 S197 P199 D202H132-F137 HydrophobicContact CB-CE1 4.36Å; H132-F137 AromaticContact CD2-CD1 3.59Å; H132-F137 AromaticContact CG-CD1 3.93Å; H132-F137 AromaticContact CG-CE1 3.97Å; H132-F137 AromaticContact NE2-CD1 3.74Å; F137-A167 CarbonylContact O-C 3.58Å; F137-A167 WeakPolarHBondContact O-CA 3.45Å; F137-A167 WeakPolarHBondContact O-CB 3.19Å; F137-R168 PolarHBondContact N-O 2.89Å; F137-R168 PolarHBondContact O-N 3.4Å; F137-A170 HydrophobicContact CE2-CB 3.92Å; F137-A170 HydrophobicContact CZ-CB 4.23Å; F137-S197 VanDerWaalsContact CD2-C 3.49Å; F137-S197 WeakPolarHBondContact CD2-O 3.48Å; F137-P199 HydrophobicContact CD1-CB 4.35Å; F137-P199 HydrophobicContact CE1-CB 3.8Å; F137-P199 HydrophobicContact CE1-CG 4.08Å; F137-P199 HydrophobicContact CZ-CG 4.43Å; F137-D202 WeakPolarHBondContact CA-OD2 3.32Å
138H96.8Very high97.4Very high1 Ų121.9 Ų21.91%0.00513%0.133CC..  trans-83-42.6-170.9-169.9-62.4000113.4L131 D140 L141 L161 D163 F164 L166 A167 D202L131-H138 HydrophobicContact CD2-CB 3.66Å; H138-D140 PolarHBondContact ND1-N 2.88Å; H138-D140 PolarHBondContact O-N 2.7Å; H138-L141 HydrophobicContact CB-CD1 4.22Å; H138-L141 HydrophobicContact CB-CD2 3.87Å; H138-L141 HydrophobicContact CB-CG 3.83Å; H138-L161 WeakPolarHBondContact NE2-CD1 3.46Å; H138-D163 PolarHBondContact CE1-O 3.43Å; H138-D163 PolarHBondContact NE2-O 3.43Å; H138-F164 AromaticContact CD2-CD1 3.98Å; H138-L166 CarbonylContact O-C 3.58Å; H138-A167 PolarHBondContact O-N 3.45Å; H138-D202 PolarHBondContact N-OD2 2.89Å
139N95.5Very high97.3Very high14 Ų1422 Ų228%0.07513%0.134CC..SBendtrans64.58.1-179.9-58-55.2000117.2L166 R168 V181 G182 S197 D202N139-L166 HydrophobicContact CB-CB 4.4Å; N139-L166 PolarHBondContact ND2-O 2.82Å; N139-L166 VanDerWaalsContact ND2-O 3.09Å; N139-R168 WeakPolarHBondContact ND2-CG 3.35Å; N139-V181 HydrophobicContact CB-CG1 3.77Å; N139-G182 VanDerWaalsContact O-CA 3.29Å; N139-G182 WeakPolarHBondContact O-CA 3.5Å; N139-S197 PolarHBondContact ND2-OG 3.28Å; N139-S197 WeakPolarHBondContact OD1-CA 3.22Å; N139-S197 PolarHBondContact OD1-N 3.29Å; N139-S197 PolarHBondContact OD1-OG 2.97Å; N139-D202 PolarHBondContact N-OD1 3.38Å
140D96Very high97.2Very high16 Ų1621.7 Ų21.79%0.08613%0.134CC..  trans-153.345177.7-167.335.9000111.7H138 K142 N145 L166 G182 T183H138-D140 PolarHBondContact ND1-N 2.88Å; H138-D140 PolarHBondContact O-N 2.7Å; D140-K142 PolarHBondContact O-N 3.19Å; D140-K142 IonicContact OD1-NZ 2.63Å; D140-K142 PolarHBondContact OD1-NZ 3.25Å; D140-K142 WeakPolarHBondContact OD2-CE 3.19Å; D140-K142 IonicContact OD2-NZ 3.63Å; D140-K142 PolarHBondContact OD2-NZ 3.5Å; D140-N145 PolarHBondContact O-ND2 3.38Å; D140-N145 PolarHBondContact OD2-ND2 2.97Å; D140-L166 HydrophobicContact CB-CB 4.35Å; D140-L166 HydrophobicContact CB-CD1 3.78Å; D140-G182 WeakPolarHBondContact OD1-CA 3.43Å; D140-T183 WeakPolarHBondContact OD1-CB 3.43Å; D140-T183 PolarHBondContact OD1-N 3.09Å; D140-T183 PolarHBondContact OD1-OG1 2.94Å
141L98.4Very high97Very high1 Ų123.5 Ų23.51%0.00515%0.149CC..  trans-74.5122179.4-65.6165000110.2I128 H138 F146 L161 D202 V206I128-L141 HydrophobicContact CG2-CD1 3.53Å; I128-L141 HydrophobicContact CG2-CD2 4.04Å; I128-L141 HydrophobicContact CG2-CG 4.46Å; H138-L141 HydrophobicContact CB-CD1 4.22Å; H138-L141 HydrophobicContact CB-CD2 3.87Å; H138-L141 HydrophobicContact CB-CG 3.83Å; L141-F146 HydrophobicContact CB-CE2 4.46Å; L141-F146 HydrophobicContact CD2-CE2 3.87Å; L141-F146 HydrophobicContact CD2-CZ 3.72Å; L141-L161 HydrophobicContact CD2-CD1 3.66Å; L141-L161 HydrophobicContact CD2-CD2 3.96Å; L141-L161 HydrophobicContact CD2-CG 4.48Å; L141-D202 HydrophobicContact CD1-CB 3.4Å; L141-D202 VanDerWaalsContact CD1-CB 3.4Å; L141-D202 VanDerWaalsContact CD1-CG 3.46Å; L141-D202 WeakPolarHBondContact CD1-O 3.44Å; L141-D202 WeakPolarHBondContact CD1-OD1 3.27Å; L141-V206 HydrophobicContact CB-CG2 4.16Å; L141-V206 HydrophobicContact CD1-CG2 3.86Å; L141-V206 HydrophobicContact CG-CG2 4.49Å
142K98Very high96.7Very high33 Ų3328 Ų2814%0.14318%0.178CC..  trans-158.4160.4-178.163.1-166.4-178.8-153.10110.3D140 S144 N145 F146 T183 Y186 S209D140-K142 PolarHBondContact O-N 3.19Å; D140-K142 IonicContact OD1-NZ 2.63Å; D140-K142 PolarHBondContact OD1-NZ 3.25Å; D140-K142 WeakPolarHBondContact OD2-CE 3.19Å; D140-K142 IonicContact OD2-NZ 3.63Å; D140-K142 PolarHBondContact OD2-NZ 3.5Å; K142-S144 WeakPolarHBondContact CE-OG 3.49Å; K142-S144 WeakPolarHBondContact CG-OG 3.48Å; K142-S144 PolarHBondContact O-N 3.38Å; K142-N145 WeakPolarHBondContact CE-OD1 3.48Å; K142-N145 HydrophobicContact CG-CB 4.21Å; K142-N145 PolarHBondContact O-N 2.89Å; K142-F146 WeakPolarHBondContact O-CD2 2.97Å; K142-T183 HydrophobicContact CD-CG2 4.26Å; K142-T183 WeakPolarHBondContact CD-OG1 3.16Å; K142-T183 PolarHBondContact NZ-OG1 2.92Å; K142-Y186 HydrophobicContact CB-CD2 3.4Å; K142-Y186 VanDerWaalsContact CB-CD2 3.4Å; K142-Y186 HydrophobicContact CB-CE2 3.83Å; K142-Y186 HydrophobicContact CB-CG 3.83Å; K142-Y186 HydrophobicContact CD-CD2 4.41Å; K142-S209 WeakPolarHBondContact CA-OG 3.4Å
143P98.3Very high96.4Very high4 Ų428 Ų283%0.02618%0.178CC..G310 helixtrans-53.4-34.8-178.2-29.737.9000114.4L100 N145 F146 Y186 L213L100-P143 HydrophobicContact CB-CB 4.02Å; L100-P143 WeakPolarHBondContact CB-O 3.38Å; L100-P143 PolarHBondContact N-O 3.19Å; P143-N145 PolarHBondContact O-N 3.36Å; P143-F146 PolarHBondContact O-N 2.82Å; P143-F146 VanDerWaalsContact O-O 3.09Å; P143-Y186 HydrophobicContact CG-CE1 4.29Å; P143-L213 HydrophobicContact CB-CD1 4.46Å; P143-L213 HydrophobicContact CB-CD2 3.99Å; P143-L213 HydrophobicContact CB-CG 4.33Å; P143-L213 HydrophobicContact CG-CD1 4.28Å; P143-L213 HydrophobicContact CG-CD2 4.11Å; P143-L213 HydrophobicContact CG-CG 3.98Å
144S96.9Very high96.1Very high40 Ų4026.1 Ų26.128%0.2816%0.159SC..G310 helixtrans-75.5-3.7-179.570.90000115K142 F162K142-S144 WeakPolarHBondContact CE-OG 3.49Å; K142-S144 WeakPolarHBondContact CG-OG 3.48Å; K142-S144 PolarHBondContact O-N 3.38Å; S144-F162 WeakPolarHBondContact O-CZ 3.38Å
145N97.9Very high95.9Very high9 Ų926.1 Ų26.15%0.04816%0.164CC..G310 helixtrans-1075.4175.8-71.64.9000111.8D140 K142 P143 L161 F162D140-N145 PolarHBondContact O-ND2 3.38Å; D140-N145 PolarHBondContact OD2-ND2 2.97Å; K142-N145 WeakPolarHBondContact CE-OD1 3.48Å; K142-N145 HydrophobicContact CG-CB 4.21Å; K142-N145 PolarHBondContact O-N 2.89Å; P143-N145 PolarHBondContact O-N 3.36Å; N145-L161 HydrophobicContact CB-CD1 4.49Å; N145-L161 WeakPolarHBondContact O-CD1 3.34Å; N145-F162 VanDerWaalsContact C-CD1 3.41Å; N145-F162 WeakPolarHBondContact CB-O 3.35Å; N145-F162 WeakPolarHBondContact O-CD1 3.32Å; N145-F162 PolarHBondContact O-N 2.88Å
146F98.5Very high95.7Very high0 Ų028.4 Ų28.40%017%0.173CC..EExtended strand (participates in β ladder)trans-117.1126.9169.9-71-85.2000108.8D99 L100 M124 A127 L141 K142 P143 L159 Y160 L161D99-F146 CarbonylContact C-O 3.45Å; D99-F146 WeakPolarHBondContact CA-O 3.27Å; D99-F146 WeakPolarHBondContact CB-O 3.33Å; L100-F146 HydrophobicContact CD1-CB 3.81Å; L100-F146 HydrophobicContact CG-CB 4Å; L100-F146 PolarHBondContact N-O 3.27Å; M124-F146 HydrophobicContact CB-CE1 4.14Å; M124-F146 HydrophobicContact CB-CZ 4.12Å; M124-F146 HydrophobicContact CE-CD2 3.76Å; M124-F146 HydrophobicContact CE-CE2 3.55Å; M124-F146 HydrophobicContact CE-CG 4.47Å; M124-F146 HydrophobicContact CE-CZ 4.09Å; M124-F146 HydrophobicContact CG-CD1 4.06Å; M124-F146 HydrophobicContact CG-CD2 4.41Å; M124-F146 HydrophobicContact CG-CE1 3.93Å; M124-F146 HydrophobicContact CG-CE2 4.31Å; M124-F146 HydrophobicContact CG-CG 4.27Å; M124-F146 HydrophobicContact CG-CZ 4.05Å; A127-F146 HydrophobicContact CB-CE1 3.92Å; L141-F146 HydrophobicContact CB-CE2 4.46Å; L141-F146 HydrophobicContact CD2-CE2 3.87Å; L141-F146 HydrophobicContact CD2-CZ 3.72Å; K142-F146 WeakPolarHBondContact O-CD2 2.97Å; P143-F146 PolarHBondContact O-N 2.82Å; P143-F146 VanDerWaalsContact O-O 3.09Å; F146-L159 HydrophobicContact CB-CD1 3.92Å; F146-L159 HydrophobicContact CB-CD2 3.86Å; F146-L159 HydrophobicContact CB-CG 3.92Å; F146-L159 HydrophobicContact CD1-CD2 3.56Å; F146-L159 HydrophobicContact CD1-CG 3.98Å; F146-L159 HydrophobicContact CE1-CD2 4.36Å; F146-L159 HydrophobicContact CG-CD2 3.96Å; F146-L159 HydrophobicContact CG-CG 4.38Å; F146-Y160 CarbonylContact C-O 3.52Å; F146-Y160 WeakPolarHBondContact CA-O 3.19Å; F146-L161 HydrophobicContact CD1-CB 4.14Å; F146-L161 HydrophobicContact CD1-CD1 4.13Å; F146-L161 HydrophobicContact CD2-CD1 4.46Å; F146-L161 HydrophobicContact CE1-CB 3.95Å; F146-L161 HydrophobicContact CE1-CD1 3.83Å; F146-L161 HydrophobicContact CE1-CD2 4.44Å; F146-L161 HydrophobicContact CE1-CG 4.3Å; F146-L161 HydrophobicContact CE2-CD1 4.16Å; F146-L161 HydrophobicContact CG-CD1 4.46Å; F146-L161 HydrophobicContact CZ-CD1 3.86Å
147A97.9Very high95.5Very high2 Ų229.7 Ų29.72%0.01718%0.182CC..EExtended strand (participates in β ladder)trans-130.7150.4179.700000112.5L96 P98 D99 Y160 F162L96-A147 HydrophobicContact CB-CB 3.95Å; L96-A147 HydrophobicContact CD1-CB 3.92Å; P98-A147 WeakPolarHBondContact O-CA 3.4Å; D99-A147 HydrophobicContact CB-CB 4.25Å; A147-Y160 PolarHBondContact N-O 3.05Å; A147-Y160 PolarHBondContact O-N 3.37Å; A147-F162 HydrophobicContact CB-CD1 3.91Å; A147-F162 HydrophobicContact CB-CE1 3.53Å; A147-F162 HydrophobicContact CB-CZ 4.4Å
148L97.7Very high95.5Very high13 Ų1330.1 Ų30.17%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-70.3149.6176.2-59.2176.8000110.3G97 P98 L100 F120 T158 L159G97-L148 WeakPolarHBondContact CA-O 3.1Å; G97-L148 PolarHBondContact N-O 3.29Å; P98-L148 HydrophobicContact CG-CD1 4.25Å; P98-L148 PolarHBondContact O-N 2.86Å; P98-L148 VanDerWaalsContact O-N 3.07Å; L100-L148 HydrophobicContact CD2-CD2 4.45Å; F120-L148 HydrophobicContact CE1-CD2 3.57Å; F120-L148 HydrophobicContact CE2-CD2 4.44Å; F120-L148 HydrophobicContact CZ-CD1 4.47Å; F120-L148 HydrophobicContact CZ-CD2 3.51Å; L148-T158 CarbonylContact C-O 3.47Å; L148-T158 WeakPolarHBondContact CA-O 3.32Å; L148-L159 HydrophobicContact CD2-CD1 4.01Å
149G96.6Very high95.6Very high2 Ų230.1 Ų30.12%0.02119%0.187CC..  trans-59.7153.1168.300000110.9S155 T156 T158G149-S155 WeakPolarHBondContact CA-O 3.36Å; G149-S155 PolarHBondContact N-O 3.1Å; G149-T156 WeakPolarHBondContact O-CA 3.42Å; G149-T158 PolarHBondContact N-O 2.99Å
150N95.4Very high95.7Very high57 Ų5730.7 Ų30.731%0.30519%0.188SC..BIsolated β-bridgetrans-139.3112.2177.1169.151.5000108H95 G97 F153H95-N150 WeakPolarHBondContact O-CB 3.36Å; H95-N150 PolarHBondContact O-ND2 2.98Å; G97-N150 VanDerWaalsContact N-CB 3.34Å; N150-F153 PolarHBondContact N-O 2.85Å; N150-F153 VanDerWaalsContact N-O 3.15Å; N150-F153 CarbonylContact O-C 3.59Å; N150-F153 WeakPolarHBondContact O-CA 3.41Å; N150-F153 PolarHBondContact O-N 3.37Å
151P94.3Very high95.8Very high78 Ų7829.9 Ų29.951%0.50618%0.184SC..THydrogen-bonded Turntrans-49.9137.4-178.2-30.535.7000112.3G154 T156P151-G154 WeakPolarHBondContact CD-O 3.3Å; P151-T156 HydrophobicContact CG-CG2 4.44Å
152P92.4Very high95.7Very high95 Ų9532 Ų3262%0.61719%0.193SC*.THydrogen-bonded Turncis-82.2-4.27.234.5-36.3000114.9G154P152-G154 VanDerWaalsContact C-N 3.34Å; P152-G154 PolarHBondContact O-N 3.04Å
153F90.6Very high95.6Very high23 Ų2332.2 Ų32.210%0.10120%0.196CC..BIsolated β-bridgetrans-84.673-178.2-58.8-55.7000112.5Q45 H46 V47 L80 D94 H95 N150Q45-F153 HydrophobicContact CG-CZ 4.33Å; H46-F153 WeakPolarHBondContact O-CE2 3.45Å; V47-F153 HydrophobicContact CG1-CE2 4.16Å; V47-F153 HydrophobicContact CG1-CZ 4.02Å; L80-F153 HydrophobicContact CD1-CE1 3.83Å; L80-F153 HydrophobicContact CD1-CE2 4.29Å; L80-F153 HydrophobicContact CD1-CZ 3.55Å; L80-F153 HydrophobicContact CD2-CE1 4.31Å; D94-F153 HydrophobicContact CB-CB 3.76Å; D94-F153 HydrophobicContact CB-CD1 4.23Å; D94-F153 HydrophobicContact CB-CD2 4.11Å; D94-F153 HydrophobicContact CB-CG 3.8Å; D94-F153 WeakPolarHBondContact OD1-CD1 3.49Å; H95-F153 HydrophobicContact CB-CD2 4.14Å; H95-F153 HydrophobicContact CB-CE2 4.23Å; N150-F153 PolarHBondContact N-O 2.85Å; N150-F153 VanDerWaalsContact N-O 3.15Å; N150-F153 CarbonylContact O-C 3.59Å; N150-F153 WeakPolarHBondContact O-CA 3.41Å; N150-F153 PolarHBondContact O-N 3.37Å
154G90.3Very high95.4Very high28 Ų2832 Ų3229%0.28919%0.194SC..SBendtrans84176.7178.800000113.6P151 P152 Y160P151-G154 WeakPolarHBondContact CD-O 3.3Å; P152-G154 VanDerWaalsContact C-N 3.34Å; P152-G154 PolarHBondContact O-N 3.04Å; G154-Y160 WeakPolarHBondContact CA-OH 3.39Å
155S93Very high95.2Very high52 Ų5230.3 Ų30.336%0.36418%0.183SC..  trans-92.6150.2-177.1176.90000111.1G149 D157 T158G149-S155 WeakPolarHBondContact CA-O 3.36Å; G149-S155 PolarHBondContact N-O 3.1Å; S155-D157 WeakPolarHBondContact CB-OD1 3.36Å; S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 VanDerWaalsContact OG-CG 3.32Å; S155-D157 PolarHBondContact OG-OD1 3.07Å; S155-T158 PolarHBondContact O-N 3.39Å
156T93.2Very high95Very high72 Ų7232.5 Ų32.544%0.44219%0.194SC..THydrogen-bonded Turntrans-65.9-5.4-179.654.20000114G149 P151G149-T156 WeakPolarHBondContact O-CA 3.42Å; P151-T156 HydrophobicContact CG-CG2 4.44Å
157D91.9Very high94.8Very high62 Ų6232.5 Ų32.533%0.33219%0.194SC..THydrogen-bonded Turntrans-103.6-7.8177.172.7-18.2000113.5Q123 S155 L290Q123-D157 PolarHBondContact NE2-O 2.95Å; S155-D157 WeakPolarHBondContact CB-OD1 3.36Å; S155-D157 PolarHBondContact O-N 2.93Å; S155-D157 VanDerWaalsContact OG-CG 3.32Å; S155-D157 PolarHBondContact OG-OD1 3.07Å; D157-L290 HydrophobicContact CB-CB 3.51Å; D157-L290 HydrophobicContact CB-CD1 3.6Å; D157-L290 HydrophobicContact CB-CD2 4.26Å; D157-L290 HydrophobicContact CB-CG 3.93Å
158T96.5Very high94.6Very high31 Ų3136.2 Ų36.219%0.1921%0.208CC..  trans-96.6133.3-178.4-55.40000109.9Q123 L148 G149 S155 Y160Q123-T158 VanDerWaalsContact OE1-CA 3.31Å; L148-T158 CarbonylContact C-O 3.47Å; L148-T158 WeakPolarHBondContact CA-O 3.32Å; G149-T158 PolarHBondContact N-O 2.99Å; S155-T158 PolarHBondContact O-N 3.39Å; T158-Y160 HydrophobicContact CG2-CD2 4.39Å; T158-Y160 HydrophobicContact CG2-CE1 4.41Å; T158-Y160 HydrophobicContact CG2-CE2 3.67Å
159L97.9Very high94.4Very high1 Ų136.7 Ų36.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-97.2136178.9-162.471.2000110.7H75 L100 Q123 M124 F146 L148H75-L159 WeakPolarHBondContact CA-O 3.18Å; H75-L159 WeakPolarHBondContact CB-O 3.5Å; H75-L159 PolarHBondContact ND1-O 3.16Å; L100-L159 HydrophobicContact CD1-CD1 3.94Å; L100-L159 HydrophobicContact CD1-CD2 4.01Å; L100-L159 HydrophobicContact CD2-CD1 3.63Å; L100-L159 HydrophobicContact CG-CD1 3.77Å; Q123-L159 HydrophobicContact CB-CB 3.9Å; Q123-L159 HydrophobicContact CB-CD2 4.36Å; M124-L159 HydrophobicContact CB-CD2 4.49Å; M124-L159 HydrophobicContact CG-CD2 3.41Å; M124-L159 VanDerWaalsContact CG-CD2 3.41Å; F146-L159 HydrophobicContact CB-CD1 3.92Å; F146-L159 HydrophobicContact CB-CD2 3.86Å; F146-L159 HydrophobicContact CB-CG 3.92Å; F146-L159 HydrophobicContact CD1-CD2 3.56Å; F146-L159 HydrophobicContact CD1-CG 3.98Å; F146-L159 HydrophobicContact CE1-CD2 4.36Å; F146-L159 HydrophobicContact CG-CD2 3.96Å; F146-L159 HydrophobicContact CG-CG 4.38Å; L148-L159 HydrophobicContact CD2-CD1 4.01Å
160Y98.4Very high94Very high25 Ų2538.1 Ų38.110%0.09822%0.223CC..EExtended strand (participates in β ladder)trans-121.6127.4176.1-63.9-88.5000109.8S74 H75 L96 F146 A147 G154 T158S74-Y160 WeakPolarHBondContact O-CE1 3.43Å; H75-Y160 WeakPolarHBondContact O-CA 3.5Å; L96-Y160 HydrophobicContact CD2-CD2 3.76Å; L96-Y160 HydrophobicContact CD2-CE2 4.43Å; L96-Y160 HydrophobicContact CD2-CG 3.94Å; F146-Y160 CarbonylContact C-O 3.52Å; F146-Y160 WeakPolarHBondContact CA-O 3.19Å; A147-Y160 PolarHBondContact N-O 3.05Å; A147-Y160 PolarHBondContact O-N 3.37Å; G154-Y160 WeakPolarHBondContact CA-OH 3.39Å; T158-Y160 HydrophobicContact CG2-CD2 4.39Å; T158-Y160 HydrophobicContact CG2-CE1 4.41Å; T158-Y160 HydrophobicContact CG2-CE2 3.67Å
161L98.6Very high93.5Very high0 Ų043.1 Ų43.10%024%0.244CC..EExtended strand (participates in β ladder)trans-75.1132.7166.7-17954.4000109.3H75 V77 A127 L131 H138 L141 N145 F146 F164H75-L161 WeakPolarHBondContact O-CB 3.39Å; H75-L161 PolarHBondContact O-N 3.39Å; V77-L161 WeakPolarHBondContact CG1-O 3.47Å; V77-L161 PolarHBondContact N-O 2.86Å; A127-L161 HydrophobicContact CB-CB 4.07Å; A127-L161 HydrophobicContact CB-CD2 4.3Å; L131-L161 HydrophobicContact CD2-CD2 4.17Å; H138-L161 WeakPolarHBondContact NE2-CD1 3.46Å; L141-L161 HydrophobicContact CD2-CD1 3.66Å; L141-L161 HydrophobicContact CD2-CD2 3.96Å; L141-L161 HydrophobicContact CD2-CG 4.48Å; N145-L161 HydrophobicContact CB-CD1 4.49Å; N145-L161 WeakPolarHBondContact O-CD1 3.34Å; F146-L161 HydrophobicContact CD1-CB 4.14Å; F146-L161 HydrophobicContact CD1-CD1 4.13Å; F146-L161 HydrophobicContact CD2-CD1 4.46Å; F146-L161 HydrophobicContact CE1-CB 3.95Å; F146-L161 HydrophobicContact CE1-CD1 3.83Å; F146-L161 HydrophobicContact CE1-CD2 4.44Å; F146-L161 HydrophobicContact CE1-CG 4.3Å; F146-L161 HydrophobicContact CE2-CD1 4.16Å; F146-L161 HydrophobicContact CG-CD1 4.46Å; F146-L161 HydrophobicContact CZ-CD1 3.86Å; L161-F164 HydrophobicContact CD2-CE1 4.26Å; L161-F164 HydrophobicContact CG-CE1 4.01Å; L161-F164 HydrophobicContact CG-CZ 4.29Å
162F95.9Very high92.6Very high46 Ų4642.3 Ų42.320%0.20223%0.234CC..  trans-141.9163.6179.273.5-81.8000111.4V77 L96 D99 S144 N145 A147V77-F162 HydrophobicContact CB-CB 4.07Å; V77-F162 HydrophobicContact CG1-CB 3.62Å; L96-F162 HydrophobicContact CD1-CB 4.31Å; L96-F162 HydrophobicContact CD1-CD1 4.24Å; L96-F162 HydrophobicContact CD1-CG 4.42Å; D99-F162 HydrophobicContact CB-CE1 4.23Å; D99-F162 HydrophobicContact CB-CZ 4.19Å; S144-F162 WeakPolarHBondContact O-CZ 3.38Å; N145-F162 VanDerWaalsContact C-CD1 3.41Å; N145-F162 WeakPolarHBondContact CB-O 3.35Å; N145-F162 WeakPolarHBondContact O-CD1 3.32Å; N145-F162 PolarHBondContact O-N 2.88Å; A147-F162 HydrophobicContact CB-CD1 3.91Å; A147-F162 HydrophobicContact CB-CE1 3.53Å; A147-F162 HydrophobicContact CB-CZ 4.4Å
163D94.8Very high91.5Very high37 Ų3739.6 Ų39.620%0.19822%0.217CC..  trans70.989.4-174.2-156.5-35.5000114.7K50 H138 G165K50-D163 IonicContact NZ-OD1 3.64Å; K50-D163 PolarHBondContact NZ-OD1 2.9Å; K50-D163 IonicContact NZ-OD2 3.19Å; K50-D163 PolarHBondContact NZ-OD2 3.44Å; H138-D163 PolarHBondContact CE1-O 3.43Å; H138-D163 PolarHBondContact NE2-O 3.43Å; D163-G165 PolarHBondContact OD1-N 2.67Å
164F95.3Very high90.3Very high0 Ų045.2 Ų45.20%024%0.242CC..  trans-9920.3-178.5-54.1-77.4000112.8W62 E63 V66 M67 I76 V77 L131 H138 L161 L166 A167W62-F164 PolarHBondContact NE1-O 2.95Å; E63-F164 HydrophobicContact CG-CB 4.08Å; E63-F164 PolarHBondContact OE2-N 3.27Å; V66-F164 HydrophobicContact CB-CB 4.01Å; V66-F164 HydrophobicContact CB-CG 4.15Å; V66-F164 HydrophobicContact CG1-CB 3.93Å; V66-F164 HydrophobicContact CG1-CD1 3.74Å; V66-F164 HydrophobicContact CG1-CD2 4.28Å; V66-F164 HydrophobicContact CG1-CE1 4.37Å; V66-F164 HydrophobicContact CG1-CG 3.69Å; V66-F164 HydrophobicContact CG2-CB 4.19Å; M67-F164 HydrophobicContact CG-CD2 3.58Å; M67-F164 HydrophobicContact CG-CE2 3.47Å; M67-F164 VanDerWaalsContact CG-CE2 3.47Å; M67-F164 HydrophobicContact SD-CD2 4.04Å; M67-F164 HydrophobicContact SD-CE2 4.07Å; I76-F164 HydrophobicContact CG2-CE1 4.48Å; I76-F164 HydrophobicContact CG2-CE2 4.08Å; I76-F164 HydrophobicContact CG2-CZ 3.59Å; V77-F164 HydrophobicContact CG1-CE2 3.84Å; V77-F164 HydrophobicContact CG1-CZ 4.44Å; L131-F164 HydrophobicContact CD1-CD1 4.31Å; L131-F164 HydrophobicContact CD1-CE1 4.09Å; L131-F164 HydrophobicContact CD2-CE1 4.48Å; H138-F164 AromaticContact CD2-CD1 3.98Å; L161-F164 HydrophobicContact CD2-CE1 4.26Å; L161-F164 HydrophobicContact CG-CE1 4.01Å; L161-F164 HydrophobicContact CG-CZ 4.29Å; F164-L166 PolarHBondContact O-N 2.79Å; F164-L166 VanDerWaalsContact O-N 3.13Å; F164-A167 HydrophobicContact CB-CB 3.94Å; F164-A167 VanDerWaalsContact O-CB 3.27Å; F164-A167 WeakPolarHBondContact O-CB 3.47Å; F164-A167 PolarHBondContact O-N 2.8Å
165G92Very high89.5Confident4 Ų448.4 Ų48.44%0.04125%0.249CC..THydrogen-bonded Turntrans-62.8-23.3-172.700000114.3D163D163-G165 PolarHBondContact OD1-N 2.67Å
166L92.7Very high88.8Confident55 Ų5554.8 Ų54.829%0.28827%0.265SS..THydrogen-bonded Turntrans-105.72.2175.2-66.4178.7000113.6H138 N139 D140 F164 V181H138-L166 CarbonylContact O-C 3.58Å; N139-L166 HydrophobicContact CB-CB 4.4Å; N139-L166 PolarHBondContact ND2-O 2.82Å; N139-L166 VanDerWaalsContact ND2-O 3.09Å; D140-L166 HydrophobicContact CB-CB 4.35Å; D140-L166 HydrophobicContact CB-CD1 3.78Å; F164-L166 PolarHBondContact O-N 2.79Å; F164-L166 VanDerWaalsContact O-N 3.13Å; L166-V181 HydrophobicContact CD1-CG1 4.43Å
167A94.6Very high88.4Confident0 Ų053.2 Ų53.20%026%0.257CS..  trans-62.9149.5178.400000110.9W62 V66 F137 H138 F164W62-A167 WeakPolarHBondContact CZ2-O 3.42Å; W62-A167 PolarHBondContact NE1-O 3.43Å; V66-A167 HydrophobicContact CG2-CB 4.31Å; F137-A167 CarbonylContact O-C 3.58Å; F137-A167 WeakPolarHBondContact O-CA 3.45Å; F137-A167 WeakPolarHBondContact O-CB 3.19Å; H138-A167 PolarHBondContact O-N 3.45Å; F164-A167 HydrophobicContact CB-CB 3.94Å; F164-A167 VanDerWaalsContact O-CB 3.27Å; F164-A167 WeakPolarHBondContact O-CB 3.47Å; F164-A167 PolarHBondContact O-N 2.8Å
168R93.8Very high88.1Confident80 Ų8057.4 Ų57.430%0.30228%0.28SS..EExtended strand (participates in β ladder)trans-137.8153.3178.9-66.6-67.2-178.1-90.1-0.9109.3Y136 F137 N139 Q172 S197Y136-R168 CarbonylContact C-O 3.27Å; Y136-R168 WeakPolarHBondContact CA-O 3.33Å; F137-R168 PolarHBondContact N-O 2.89Å; F137-R168 PolarHBondContact O-N 3.4Å; N139-R168 WeakPolarHBondContact ND2-CG 3.35Å; R168-Q172 HydrophobicContact CB-CB 4.4Å; R168-S197 WeakPolarHBondContact CB-OG 3.32Å; R168-S197 WeakPolarHBondContact CG-OG 3.46Å
169T93.4Very high87.8Confident22 Ų2261.5 Ų61.514%0.13530%0.301CS..EExtended strand (participates in β ladder)trans-76.2159.6175.275.70000110.9W62 G135 Y136 E171 Q172W62-T169 HydrophobicContact CH2-CG2 3.73Å; G135-T169 CarbonylContact O-C 3.54Å; G135-T169 WeakPolarHBondContact O-CA 3.33Å; Y136-T169 HydrophobicContact CD1-CG2 4.24Å; Y136-T169 HydrophobicContact CE1-CG2 3.76Å; T169-E171 WeakPolarHBondContact CB-OE2 3.33Å; T169-E171 PolarHBondContact O-N 2.95Å; T169-E171 PolarHBondContact OG1-N 2.95Å; T169-E171 PolarHBondContact OG1-OE2 3.05Å; T169-Q172 WeakPolarHBondContact O-CB 3.26Å; T169-Q172 PolarHBondContact O-N 3.19Å
170A89Confident87.5Confident33 Ų3363.8 Ų63.827%0.27331%0.312SS..G310 helixtrans-65.2-22.4175.100000112.8G135 F137 Q172 S173G135-A170 PolarHBondContact O-N 2.85Å; F137-A170 HydrophobicContact CE2-CB 3.92Å; F137-A170 HydrophobicContact CZ-CB 4.23Å; A170-Q172 PolarHBondContact O-N 2.79Å; A170-S173 WeakPolarHBondContact O-CB 3.47Å; A170-S173 PolarHBondContact O-N 3.39Å; A170-S173 VanDerWaalsContact O-N 3.16Å; A170-S173 PolarHBondContact O-OG 3.44Å
171E84.2Confident87.2Confident161 Ų16163.7 Ų63.775%0.75231%0.314SS*.G310 helixtrans-69.8-23.9172-55.884.8-17000112.8T169 S173T169-E171 WeakPolarHBondContact CB-OE2 3.33Å; T169-E171 PolarHBondContact O-N 2.95Å; T169-E171 PolarHBondContact OG1-N 2.95Å; T169-E171 PolarHBondContact OG1-OE2 3.05Å; E171-S173 PolarHBondContact O-N 2.88Å
172Q76.1Confident87Confident62 Ų6264.9 Ų64.929%0.2933%0.326SS..G310 helixtrans-89.316172.7-57.3179-61.800112R168 T169 A170 E175R168-Q172 HydrophobicContact CB-CB 4.4Å; T169-Q172 WeakPolarHBondContact O-CB 3.26Å; T169-Q172 PolarHBondContact O-N 3.19Å; A170-Q172 PolarHBondContact O-N 2.79Å; Q172-E175 WeakPolarHBondContact O-CG 3.44Å
173S69.5Low86.9Confident37 Ų3764.7 Ų64.726%0.25933%0.329SS..THydrogen-bonded Turntrans-67149179.8580000111.9A170 E171 E175 S197A170-S173 WeakPolarHBondContact O-CB 3.47Å; A170-S173 PolarHBondContact O-N 3.39Å; A170-S173 VanDerWaalsContact O-N 3.16Å; A170-S173 PolarHBondContact O-OG 3.44Å; E171-S173 PolarHBondContact O-N 2.88Å; S173-E175 PolarHBondContact O-N 3.29Å; S173-E175 VanDerWaalsContact O-N 3.12Å; S173-S197 VanDerWaalsContact CA-O 3.28Å; S173-S197 WeakPolarHBondContact CA-O 3.42Å; S173-S197 VanDerWaalsContact CB-O 3.23Å; S173-S197 WeakPolarHBondContact CB-O 3.3Å
174F65.1Low87Confident141 Ų14165.1 Ų65.162%0.61833%0.331SS*.THydrogen-bonded Turntrans61.814.7179.3-46.2-79.3000114.7V196 D198F174-V196 WeakPolarHBondContact CA-O 3.44Å; F174-V196 PolarHBondContact N-O 2.92Å; F174-D198 HydrophobicContact CE1-CB 4.05Å; F174-D198 HydrophobicContact CZ-CB 4.36Å
175E73.2Confident87.1Confident96 Ų9666.6 Ų66.645%0.44934%0.339SS..EExtended strand (participates in β ladder)trans-62.5144.5167.8-76.3-176.2-175.100110Q172 S173 V196Q172-E175 WeakPolarHBondContact O-CG 3.44Å; S173-E175 PolarHBondContact O-N 3.29Å; S173-E175 VanDerWaalsContact O-N 3.12Å; E175-V196 WeakPolarHBondContact O-CB 3.44Å; E175-V196 PolarHBondContact O-N 3.08Å
176R78.5Confident87.3Confident185 Ų18567.9 Ų67.970%0.69834%0.343SS*.EExtended strand (participates in β ladder)trans-88.8138.8170.8-73.7-174170.2-174.8-3.1109.9H194R176-H194 VanDerWaalsContact CA-O 3.29Å; R176-H194 WeakPolarHBondContact CA-O 3.34Å
177S85.1Confident87.5Confident39 Ų3965.5 Ų65.527%0.27333%0.33SS..  trans-109.6140.2169.4-172.90000110.8N179 H194S177-N179 WeakPolarHBondContact CB-O 3.21Å; S177-N179 PolarHBondContact O-N 3.1Å; S177-N179 VanDerWaalsContact O-N 3.14Å; S177-N179 PolarHBondContact OG-N 2.93Å; S177-N179 PolarHBondContact OG-O 3.32Å; S177-H194 PolarHBondContact N-O 3.04Å; S177-H194 WeakPolarHBondContact O-CB 3.31Å; S177-H194 PolarHBondContact O-ND1 3.46Å
178D86.5Confident87.6Confident151 Ų15165.6 Ų65.681%0.80733%0.331SS*.SBendtrans-62.2-19.9174.9-62.7-32000112.8
179N89.8Confident87.7Confident117 Ų11763.7 Ų63.763%0.62633%0.327SS*.SBendtrans-126159179.8-62.4-71000110.8S177 V181S177-N179 WeakPolarHBondContact CB-O 3.21Å; S177-N179 PolarHBondContact O-N 3.1Å; S177-N179 VanDerWaalsContact O-N 3.14Å; S177-N179 PolarHBondContact OG-N 2.93Å; S177-N179 PolarHBondContact OG-O 3.32Å; N179-V181 PolarHBondContact O-N 3.04Å
180I91.7Very high87.7Confident48 Ų4863.4 Ų63.425%0.24633%0.328CS..  trans-63122169.5-58.8176.8000108.1L184 A187 A191 A226I180-L184 HydrophobicContact CD1-CD1 3.94Å; I180-L184 HydrophobicContact CG2-CD1 4.46Å; I180-A187 HydrophobicContact CG2-CB 4.03Å; I180-A191 HydrophobicContact CG2-CB 4.48Å; I180-A226 HydrophobicContact CD1-CB 3.67Å
181V91.7Very high88Confident24 Ų2462.2 Ų62.215%0.14532%0.318CS..  trans-85.7140.4178.3-179.30000110.1N139 L166 N179 V196N139-V181 HydrophobicContact CB-CG1 3.77Å; L166-V181 HydrophobicContact CD1-CG1 4.43Å; N179-V181 PolarHBondContact O-N 3.04Å; V181-V196 HydrophobicContact CB-CG1 4.33Å; V181-V196 HydrophobicContact CB-CG2 4.16Å; V181-V196 HydrophobicContact CG1-CG1 4.42Å; V181-V196 HydrophobicContact CG2-CG1 4.05Å; V181-V196 HydrophobicContact CG2-CG2 3.61Å
182G93.1Very high88.5Confident24 Ų2455.3 Ų55.325%0.24729%0.286CS..SBendtrans87.1-170.2178.600000113.7N139 D140 L184N139-G182 VanDerWaalsContact O-CA 3.29Å; N139-G182 WeakPolarHBondContact O-CA 3.5Å; D140-G182 WeakPolarHBondContact OD1-CA 3.43Å; G182-L184 PolarHBondContact O-N 3.26Å
183T95.1Very high89.3Confident43 Ų4356.4 Ų56.426%0.26429%0.293SS..  trans-81.4115.4-178.2-58.90000110.2D140 K142 I185 Y186 A187D140-T183 WeakPolarHBondContact OD1-CB 3.43Å; D140-T183 PolarHBondContact OD1-N 3.09Å; D140-T183 PolarHBondContact OD1-OG1 2.94Å; K142-T183 HydrophobicContact CD-CG2 4.26Å; K142-T183 WeakPolarHBondContact CD-OG1 3.16Å; K142-T183 PolarHBondContact NZ-OG1 2.92Å; T183-I185 PolarHBondContact O-N 3.32Å; T183-Y186 HydrophobicContact CG2-CD2 3.93Å; T183-Y186 CarbonylContact O-C 3.33Å; T183-Y186 PolarHBondContact O-N 3.48Å; T183-A187 PolarHBondContact O-N 2.84Å
184L96.1Very high90.4Very high46 Ų4658.2 Ų58.224%0.24130%0.297CS..THydrogen-bonded Turntrans-42.4-43.6-173-175.365000114.7I180 G182 Y186 H192 A226 V229 K233I180-L184 HydrophobicContact CD1-CD1 3.94Å; I180-L184 HydrophobicContact CG2-CD1 4.46Å; G182-L184 PolarHBondContact O-N 3.26Å; L184-Y186 VanDerWaalsContact C-N 3.35Å; L184-Y186 PolarHBondContact O-N 3.41Å; L184-H192 VanDerWaalsContact CD1-CE1 3.41Å; L184-H192 WeakPolarHBondContact CD1-CE1 3.3Å; L184-A226 HydrophobicContact CD1-CB 3.83Å; L184-A226 HydrophobicContact CD2-CB 4.45Å; L184-V229 HydrophobicContact CD2-CG2 4.23Å; L184-V229 HydrophobicContact CG-CG1 4.43Å; L184-V229 HydrophobicContact CG-CG2 4.31Å; L184-K233 PolarHBondContact O-NZ 3.4Å
185I97.2Very high91.6Very high31 Ų3156.3 Ų56.316%0.15929%0.287CS..THydrogen-bonded Turntrans-59.8-42.5179.2-59.6-51.2000111.9T183 L218 W220 M221 K233T183-I185 PolarHBondContact O-N 3.32Å; I185-L218 HydrophobicContact CG2-CD1 3.59Å; I185-W220 PolarHBondContact O-NE1 2.91Å; I185-M221 HydrophobicContact CG2-CE 4.32Å; I185-K233 WeakPolarHBondContact O-CE 3.5Å; I185-K233 PolarHBondContact O-NZ 2.95Å
186Y97.7Very high92Very high31 Ų3152.4 Ų52.412%0.12227%0.269CS..THydrogen-bonded Turntrans-100.1-12.9-176.4-57.7-72.2000113.9K142 P143 T183 L184 S205 Y208 S212 L218K142-Y186 HydrophobicContact CB-CD2 3.4Å; K142-Y186 VanDerWaalsContact CB-CD2 3.4Å; K142-Y186 HydrophobicContact CB-CE2 3.83Å; K142-Y186 HydrophobicContact CB-CG 3.83Å; K142-Y186 HydrophobicContact CD-CD2 4.41Å; P143-Y186 HydrophobicContact CG-CE1 4.29Å; T183-Y186 HydrophobicContact CG2-CD2 3.93Å; T183-Y186 CarbonylContact O-C 3.33Å; T183-Y186 PolarHBondContact O-N 3.48Å; L184-Y186 VanDerWaalsContact C-N 3.35Å; L184-Y186 PolarHBondContact O-N 3.41Å; Y186-S205 VanDerWaalsContact O-CA 3.3Å; Y186-S205 WeakPolarHBondContact O-CA 3.43Å; Y186-S205 WeakPolarHBondContact O-CB 3.39Å; Y186-S205 PolarHBondContact O-OG 3.37Å; Y186-Y208 WeakPolarHBondContact O-CD2 3.29Å; Y186-S212 PolarHBondContact OH-OG 3.32Å; Y186-L218 HydrophobicContact CD1-CD1 4.13Å; Y186-L218 HydrophobicContact CE1-CD1 3.87Å
187A96.5Very high92.2Very high4 Ų443.7 Ų43.73%0.03324%0.236CC..  trans-56.2140.1178.900000111.8I180 T183 A191 K233I180-A187 HydrophobicContact CG2-CB 4.03Å; T183-A187 PolarHBondContact O-N 2.84Å; A187-A191 HydrophobicContact CB-CB 4.18Å; A187-K233 WeakPolarHBondContact O-CE 3.29Å; A187-K233 PolarHBondContact O-NZ 2.92Å
188S96.3Very high92.5Very high2 Ų242.7 Ų42.71%0.01423%0.228CC..  trans-67.7161.2177.455.90000113.1G190 A191 H192 N201S188-G190 PolarHBondContact O-N 3.17Å; S188-A191 WeakPolarHBondContact O-CB 3.49Å; S188-A191 PolarHBondContact O-N 2.84Å; S188-A191 VanDerWaalsContact O-N 3.1Å; S188-A191 VanDerWaalsContact OG-CB 3.29Å; S188-A191 WeakPolarHBondContact OG-CB 3.49Å; S188-A191 PolarHBondContact OG-N 3.35Å; S188-A191 VanDerWaalsContact OG-N 3.08Å; S188-H192 PolarHBondContact O-CD2 2.97Å; S188-H192 PolarHBondContact O-N 2.9Å; S188-H192 VanDerWaalsContact O-N 3.07Å; S188-N201 VanDerWaalsContact CB-OD1 3.27Å; S188-N201 WeakPolarHBondContact CB-OD1 3.49Å; S188-N201 WeakPolarHBondContact OG-CB 3.45Å; S188-N201 VanDerWaalsContact OG-CG 3.29Å; S188-N201 PolarHBondContact OG-OD1 2.78Å
189I95.7Very high92.9Very high41 Ų4136.1 Ų36.121%0.2119%0.194CC..Hα-helixtrans-53.8-40.7168.7-66.5175.1000110.2A191 H192 L193 F230 K233 V234I189-A191 PolarHBondContact O-N 3.37Å; I189-H192 WeakPolarHBondContact O-CB 3.31Å; I189-H192 PolarHBondContact O-N 2.85Å; I189-L193 HydrophobicContact CG2-CD1 4.34Å; I189-L193 WeakPolarHBondContact O-CG 3.4Å; I189-L193 PolarHBondContact O-N 3.44Å; I189-L193 VanDerWaalsContact O-N 3.09Å; I189-F230 HydrophobicContact CB-CE2 4.47Å; I189-F230 HydrophobicContact CG2-CD2 4.37Å; I189-F230 HydrophobicContact CG2-CE2 3.62Å; I189-F230 HydrophobicContact CG2-CZ 4.41Å; I189-K233 HydrophobicContact CD1-CB 4.32Å; I189-K233 HydrophobicContact CG1-CB 3.94Å; I189-V234 HydrophobicContact CD1-CG2 4.11Å; I189-V234 HydrophobicContact CG1-CG2 4.45Å; I189-V234 HydrophobicContact CG2-CG2 4.3Å
190G93.8Very high93.2Very high15 Ų1531.2 Ų31.216%0.15517%0.167CC..Hα-helixtrans-61.4-41.8175.500000113.2S188 H192 L193 H194 Y195 N201S188-G190 PolarHBondContact O-N 3.17Å; G190-H192 VanDerWaalsContact C-N 3.34Å; G190-H192 PolarHBondContact O-N 3.18Å; G190-L193 CarbonylContact O-C 3.52Å; G190-L193 VanDerWaalsContact O-C 3.27Å; G190-L193 WeakPolarHBondContact O-CA 3.22Å; G190-L193 WeakPolarHBondContact O-CB 3.25Å; G190-L193 PolarHBondContact O-N 2.74Å; G190-H194 PolarHBondContact O-N 2.92Å; G190-Y195 CarbonylContact C-O 3.51Å; G190-Y195 PolarHBondContact O-N 3.24Å; G190-N201 VanDerWaalsContact CA-OD1 3.32Å; G190-N201 WeakPolarHBondContact CA-OD1 3.49Å
191A94.4Very high93.4Very high8 Ų829.6 Ų29.67%0.06616%0.158CC..Hα-helixtrans-66.2-35.1176.400000112.6I180 A187 S188 I189 L193 H194 N201I180-A191 HydrophobicContact CG2-CB 4.48Å; A187-A191 HydrophobicContact CB-CB 4.18Å; S188-A191 WeakPolarHBondContact O-CB 3.49Å; S188-A191 PolarHBondContact O-N 2.84Å; S188-A191 VanDerWaalsContact O-N 3.1Å; S188-A191 VanDerWaalsContact OG-CB 3.29Å; S188-A191 WeakPolarHBondContact OG-CB 3.49Å; S188-A191 PolarHBondContact OG-N 3.35Å; S188-A191 VanDerWaalsContact OG-N 3.08Å; I189-A191 PolarHBondContact O-N 3.37Å; A191-L193 PolarHBondContact O-N 3.09Å; A191-H194 PolarHBondContact O-N 3.35Å; A191-H194 VanDerWaalsContact O-N 3.1Å; A191-N201 PolarHBondContact N-OD1 2.9Å
192H95.3Very high93.7Very high16 Ų1628.4 Ų28.47%0.07415%0.151CC..Hα-helixtrans-63.7-30.2170.4-81.7-101.9000112.4L184 S188 I189 G190 H194 A226 F230 K233L184-H192 VanDerWaalsContact CD1-CE1 3.41Å; L184-H192 WeakPolarHBondContact CD1-CE1 3.3Å; S188-H192 PolarHBondContact O-CD2 2.97Å; S188-H192 PolarHBondContact O-N 2.9Å; S188-H192 VanDerWaalsContact O-N 3.07Å; I189-H192 WeakPolarHBondContact O-CB 3.31Å; I189-H192 PolarHBondContact O-N 2.85Å; G190-H192 VanDerWaalsContact C-N 3.34Å; G190-H192 PolarHBondContact O-N 3.18Å; H192-H194 VanDerWaalsContact C-N 3.27Å; H192-A226 PolarHBondContact CE1-O 3.4Å; H192-A226 PolarHBondContact ND1-O 2.83Å; H192-F230 HydrophobicContact CB-CB 4.28Å; H192-F230 HydrophobicContact CB-CD2 3.44Å; H192-F230 VanDerWaalsContact CB-CD2 3.44Å; H192-F230 HydrophobicContact CB-CE2 4.13Å; H192-F230 HydrophobicContact CB-CG 4.2Å; H192-F230 AromaticContact CG-CD2 3.97Å; H192-K233 PolarHBondContact NE2-NZ 3.22Å
193L93.6Very high93.9Very high85 Ų8527.3 Ų27.345%0.44514%0.14SC..THydrogen-bonded Turntrans-89.915.4173.7-62.5175.3000113.1I189 G190 A191 Y195 F230I189-L193 HydrophobicContact CG2-CD1 4.34Å; I189-L193 WeakPolarHBondContact O-CG 3.4Å; I189-L193 PolarHBondContact O-N 3.44Å; I189-L193 VanDerWaalsContact O-N 3.09Å; G190-L193 CarbonylContact O-C 3.52Å; G190-L193 VanDerWaalsContact O-C 3.27Å; G190-L193 WeakPolarHBondContact O-CA 3.22Å; G190-L193 WeakPolarHBondContact O-CB 3.25Å; G190-L193 PolarHBondContact O-N 2.74Å; A191-L193 PolarHBondContact O-N 3.09Å; L193-Y195 HydrophobicContact CB-CD2 3.7Å; L193-Y195 HydrophobicContact CB-CE2 3.82Å; L193-Y195 PolarHBondContact O-N 2.7Å; L193-F230 HydrophobicContact CD1-CE2 4.28Å; L193-F230 HydrophobicContact CD1-CZ 4.39Å; L193-F230 HydrophobicContact CD2-CE2 3.92Å; L193-F230 HydrophobicContact CD2-CZ 3.78Å; L193-F230 HydrophobicContact CG-CE2 3.85Å; L193-F230 HydrophobicContact CG-CZ 4.14Å
194H92.1Very high94.1Very high75 Ų7526.2 Ų26.235%0.34713%0.132SC..THydrogen-bonded Turntrans64.313.9177.5-56.7-84.5000115.7R176 S177 G190 A191 H192R176-H194 VanDerWaalsContact CA-O 3.29Å; R176-H194 WeakPolarHBondContact CA-O 3.34Å; S177-H194 PolarHBondContact N-O 3.04Å; S177-H194 WeakPolarHBondContact O-CB 3.31Å; S177-H194 PolarHBondContact O-ND1 3.46Å; G190-H194 PolarHBondContact O-N 2.92Å; A191-H194 PolarHBondContact O-N 3.35Å; A191-H194 VanDerWaalsContact O-N 3.1Å; H192-H194 VanDerWaalsContact C-N 3.27Å
195Y89.5Confident94.2Very high102 Ų10224.3 Ų24.340%0.412%0.122SC..EExtended strand (participates in β ladder)trans-82.4123.6169.3-62-73.5000109.4G190 L193G190-Y195 CarbonylContact C-O 3.51Å; G190-Y195 PolarHBondContact O-N 3.24Å; L193-Y195 HydrophobicContact CB-CD2 3.7Å; L193-Y195 HydrophobicContact CB-CE2 3.82Å; L193-Y195 PolarHBondContact O-N 2.7Å
196V82.2Confident94.2Very high14 Ų1422.9 Ų22.99%0.08512%0.115CC..EExtended strand (participates in β ladder)trans-122.4146.1-175.4-176.80000111.6F174 E175 V181F174-V196 WeakPolarHBondContact CA-O 3.44Å; F174-V196 PolarHBondContact N-O 2.92Å; E175-V196 WeakPolarHBondContact O-CB 3.44Å; E175-V196 PolarHBondContact O-N 3.08Å; V181-V196 HydrophobicContact CB-CG1 4.33Å; V181-V196 HydrophobicContact CB-CG2 4.16Å; V181-V196 HydrophobicContact CG1-CG1 4.42Å; V181-V196 HydrophobicContact CG2-CG1 4.05Å; V181-V196 HydrophobicContact CG2-CG2 3.61Å
197S82.5Confident94.3Very high1 Ų121.9 Ų21.91%0.00711%0.111CC..  trans63.576.9173.9-550000115.1F137 N139 R168 S173F137-S197 VanDerWaalsContact CD2-C 3.49Å; F137-S197 WeakPolarHBondContact CD2-O 3.48Å; N139-S197 PolarHBondContact ND2-OG 3.28Å; N139-S197 WeakPolarHBondContact OD1-CA 3.22Å; N139-S197 PolarHBondContact OD1-N 3.29Å; N139-S197 PolarHBondContact OD1-OG 2.97Å; R168-S197 WeakPolarHBondContact CB-OG 3.32Å; R168-S197 WeakPolarHBondContact CG-OG 3.46Å; S173-S197 VanDerWaalsContact CA-O 3.28Å; S173-S197 WeakPolarHBondContact CA-O 3.42Å; S173-S197 VanDerWaalsContact CB-O 3.23Å; S173-S197 WeakPolarHBondContact CB-O 3.3Å
198D92.3Very high94.4Very high18 Ų1821.9 Ų21.910%0.09611%0.11CC..  trans-142.1163.3163.183.132.7000110F174 W200 N201F174-D198 HydrophobicContact CE1-CB 4.05Å; F174-D198 HydrophobicContact CZ-CB 4.36Å; D198-W200 PolarHBondContact O-N 3Å; D198-W200 WeakPolarHBondContact OD1-CA 3.15Å; D198-W200 VanDerWaalsContact OD1-CB 3.3Å; D198-W200 WeakPolarHBondContact OD1-CB 3.22Å; D198-W200 PolarHBondContact OD1-N 2.71Å; D198-N201 PolarHBondContact O-N 3.1Å; D198-N201 PolarHBondContact OD1-N 3.27Å; D198-N201 PolarHBondContact OD1-ND2 3.07Å; D198-N201 PolarHBondContact OD2-ND2 3.29Å
199P95.4Very high94.5Very high14 Ų1421.8 Ų21.89%0.09111%0.11CC..Hα-helixtrans-69.8-21.1-175.327.2-33000113.7H132 F137 L203 P265 Y267H132-P199 WeakPolarHBondContact ND1-CB 3.25Å; F137-P199 HydrophobicContact CD1-CB 4.35Å; F137-P199 HydrophobicContact CE1-CB 3.8Å; F137-P199 HydrophobicContact CE1-CG 4.08Å; F137-P199 HydrophobicContact CZ-CG 4.43Å; P199-L203 WeakPolarHBondContact O-CB 3.25Å; P199-L203 PolarHBondContact O-N 2.84Å; P199-P265 HydrophobicContact CB-CG 3.94Å; P199-P265 HydrophobicContact CG-CG 4.23Å; P199-Y267 VanDerWaalsContact CB-OH 3.29Å; P199-Y267 WeakPolarHBondContact CB-OH 3.09Å
200W95.9Very high94.7Very high14 Ų1419.9 Ų19.95%0.05310%0.1CC..Hα-helixtrans-78.2-36.4-179.4-63.9100.2000112D198 D202 L203 Q204 Y255 L256 S259 F261 G263 P265D198-W200 PolarHBondContact O-N 3Å; D198-W200 WeakPolarHBondContact OD1-CA 3.15Å; D198-W200 VanDerWaalsContact OD1-CB 3.3Å; D198-W200 WeakPolarHBondContact OD1-CB 3.22Å; D198-W200 PolarHBondContact OD1-N 2.71Å; W200-D202 VanDerWaalsContact C-N 3.33Å; W200-L203 HydrophobicContact CE3-CD2 4.12Å; W200-L203 HydrophobicContact CZ3-CD2 4.23Å; W200-L203 PolarHBondContact O-N 2.99Å; W200-Q204 WeakPolarHBondContact O-CB 3.38Å; W200-Q204 PolarHBondContact O-N 3.34Å; W200-Y255 HydrophobicContact CH2-CE1 4.05Å; W200-Y255 AromaticContact CZ3-CE1 3.73Å; W200-Y255 HydrophobicContact CZ3-CE1 3.73Å; W200-L256 HydrophobicContact CE3-CD2 4.25Å; W200-L256 HydrophobicContact CZ3-CD2 4.47Å; W200-S259 WeakPolarHBondContact CZ3-OG 3.34Å; W200-F261 HydrophobicContact CB-CB 4.38Å; W200-F261 HydrophobicContact CB-CD1 3.83Å; W200-F261 HydrophobicContact CD2-CB 4.3Å; W200-F261 AromaticContact CD2-CD1 3.77Å; W200-F261 HydrophobicContact CD2-CD1 3.77Å; W200-F261 AromaticContact CE3-CD1 3.63Å; W200-F261 HydrophobicContact CE3-CD1 3.63Å; W200-F261 HydrophobicContact CE3-CE1 4.16Å; W200-F261 HydrophobicContact CG-CB 4.03Å; W200-F261 AromaticContact CG-CD1 3.87Å; W200-F261 HydrophobicContact CG-CD1 3.87Å; W200-F261 HydrophobicContact CG-CG 4.46Å; W200-F261 HydrophobicContact CZ3-CD1 4.4Å; W200-F261 VanDerWaalsContact NE1-C 3.34Å; W200-F261 PolarHBondContact NE1-O 3.06Å; W200-G263 PolarHBondContact NE1-O 2.9Å; W200-P265 HydrophobicContact CD2-CG 3.79Å; W200-P265 HydrophobicContact CE3-CB 4.49Å; W200-P265 HydrophobicContact CE3-CG 4.01Å; W200-P265 HydrophobicContact CG-CG 4.34Å; W200-P265 HydrophobicContact CH2-CB 4.13Å; W200-P265 HydrophobicContact CH2-CG 4.21Å; W200-P265 HydrophobicContact CZ2-CB 4.27Å; W200-P265 HydrophobicContact CZ2-CG 3.99Å; W200-P265 HydrophobicContact CZ3-CB 4.24Å; W200-P265 HydrophobicContact CZ3-CG 4.22Å
201N95.5Very high94.9Very high13 Ų1319.1 Ų19.17%0.079%0.092CC..Hα-helixtrans-60.7-44.7172.5-74.3-68.8000111S188 G190 A191 D198 Q204 S205S188-N201 VanDerWaalsContact CB-OD1 3.27Å; S188-N201 WeakPolarHBondContact CB-OD1 3.49Å; S188-N201 WeakPolarHBondContact OG-CB 3.45Å; S188-N201 VanDerWaalsContact OG-CG 3.29Å; S188-N201 PolarHBondContact OG-OD1 2.78Å; G190-N201 VanDerWaalsContact CA-OD1 3.32Å; G190-N201 WeakPolarHBondContact CA-OD1 3.49Å; A191-N201 PolarHBondContact N-OD1 2.9Å; D198-N201 PolarHBondContact O-N 3.1Å; D198-N201 PolarHBondContact OD1-N 3.27Å; D198-N201 PolarHBondContact OD1-ND2 3.07Å; D198-N201 PolarHBondContact OD2-ND2 3.29Å; N201-Q204 PolarHBondContact O-N 3.1Å; N201-S205 PolarHBondContact O-N 2.85Å; N201-S205 PolarHBondContact O-OG 2.5Å
202D97.4Very high95.1Very high0 Ų019.4 Ų19.40%09%0.093CC..Hα-helixtrans-64-44.5175.6-87.8-12.4000111.7H132 F137 H138 N139 L141 W200 Q204 S205 V206H132-D202 IonicContact CD2-OD2 2.7Å; H132-D202 IonicContact CE1-OD2 3.3Å; H132-D202 IonicContact NE2-OD2 3.37Å; H132-D202 PolarHBondContact NE2-OD2 2.89Å; F137-D202 WeakPolarHBondContact CA-OD2 3.32Å; H138-D202 PolarHBondContact N-OD2 2.89Å; N139-D202 PolarHBondContact N-OD1 3.38Å; L141-D202 HydrophobicContact CD1-CB 3.4Å; L141-D202 VanDerWaalsContact CD1-CB 3.4Å; L141-D202 VanDerWaalsContact CD1-CG 3.46Å; L141-D202 WeakPolarHBondContact CD1-O 3.44Å; L141-D202 WeakPolarHBondContact CD1-OD1 3.27Å; W200-D202 VanDerWaalsContact C-N 3.33Å; D202-Q204 VanDerWaalsContact C-N 3.33Å; D202-Q204 PolarHBondContact O-N 3.2Å; D202-S205 WeakPolarHBondContact O-CB 3.28Å; D202-S205 PolarHBondContact O-N 3.18Å; D202-S205 VanDerWaalsContact O-N 3.16Å; D202-V206 PolarHBondContact O-N 2.85Å
203L98Very high95.2Very high0 Ų018.7 Ų18.70%09%0.09CC..Hα-helixtrans-61.4-40.2177.5-173.365.3000112.7I125 I128 P199 W200 S205 V206 F207 M252 Y255 L256 P265 L270I125-L203 HydrophobicContact CD1-CD1 3.6Å; I128-L203 HydrophobicContact CD1-CD1 3.82Å; P199-L203 WeakPolarHBondContact O-CB 3.25Å; P199-L203 PolarHBondContact O-N 2.84Å; W200-L203 HydrophobicContact CE3-CD2 4.12Å; W200-L203 HydrophobicContact CZ3-CD2 4.23Å; W200-L203 PolarHBondContact O-N 2.99Å; L203-S205 VanDerWaalsContact C-N 3.32Å; L203-V206 PolarHBondContact O-N 2.87Å; L203-F207 PolarHBondContact O-N 3.04Å; L203-M252 HydrophobicContact CD1-CE 3.4Å; L203-M252 VanDerWaalsContact CD1-CE 3.4Å; L203-M252 HydrophobicContact CG-CE 3.82Å; L203-M252 WeakPolarHBondContact O-CE 3.41Å; L203-Y255 HydrophobicContact CD2-CE1 4.21Å; L203-L256 HydrophobicContact CD2-CD2 3.61Å; L203-L256 HydrophobicContact CG-CD2 3.95Å; L203-P265 HydrophobicContact CD2-CB 4.03Å; L203-P265 HydrophobicContact CD2-CG 4.27Å; L203-L270 HydrophobicContact CD1-CD1 3.63Å; L203-L270 HydrophobicContact CD1-CD2 4.5Å; L203-L270 HydrophobicContact CD2-CD1 3.68Å; L203-L270 HydrophobicContact CG-CD1 4.33Å
204Q97.7Very high95.5Very high21 Ų2114.7 Ų14.710%0.0987%0.07CC..Hα-helixtrans-68.9-33.8177.3-165.3175.867.700111.8W200 N201 D202 F207 Y208W200-Q204 WeakPolarHBondContact O-CB 3.38Å; W200-Q204 PolarHBondContact O-N 3.34Å; N201-Q204 PolarHBondContact O-N 3.1Å; D202-Q204 VanDerWaalsContact C-N 3.33Å; D202-Q204 PolarHBondContact O-N 3.2Å; Q204-F207 WeakPolarHBondContact O-CB 3.42Å; Q204-F207 PolarHBondContact O-N 2.84Å; Q204-Y208 HydrophobicContact CG-CD2 4.39Å; Q204-Y208 HydrophobicContact CG-CE1 4.22Å; Q204-Y208 HydrophobicContact CG-CE2 3.67Å; Q204-Y208 PolarHBondContact NE2-OH 2.87Å; Q204-Y208 WeakPolarHBondContact O-CD2 3.37Å; Q204-Y208 PolarHBondContact O-N 2.82Å; Q204-Y208 PolarHBondContact OE1-OH 3.19Å
205S98.5Very high95.7Very high6 Ų613.4 Ų13.44%0.0427%0.067CC..Hα-helixtrans-66.3-39.5174.3-55.50000111.9Y186 N201 D202 L203 S209Y186-S205 VanDerWaalsContact O-CA 3.3Å; Y186-S205 WeakPolarHBondContact O-CA 3.43Å; Y186-S205 WeakPolarHBondContact O-CB 3.39Å; Y186-S205 PolarHBondContact O-OG 3.37Å; N201-S205 PolarHBondContact O-N 2.85Å; N201-S205 PolarHBondContact O-OG 2.5Å; D202-S205 WeakPolarHBondContact O-CB 3.28Å; D202-S205 PolarHBondContact O-N 3.18Å; D202-S205 VanDerWaalsContact O-N 3.16Å; L203-S205 VanDerWaalsContact C-N 3.32Å; S205-S209 WeakPolarHBondContact O-CB 3.39Å; S205-S209 PolarHBondContact O-N 2.99Å; S205-S209 PolarHBondContact O-OG 3.37Å
206V98.6Very high96.1Very high0 Ų010.2 Ų10.20%07%0.065CC..Hα-helixtrans-62.7-42.6170.3170.40000111.4M124 I125 I128 L141 D202 L203 Y208 S209 L210 M252M124-V206 HydrophobicContact CB-CG1 4.13Å; M124-V206 HydrophobicContact CE-CG1 4.03Å; M124-V206 HydrophobicContact CE-CG2 4.48Å; I125-V206 HydrophobicContact CD1-CG1 3.9Å; I128-V206 HydrophobicContact CD1-CG2 4.3Å; I128-V206 HydrophobicContact CG2-CG2 4Å; L141-V206 HydrophobicContact CB-CG2 4.16Å; L141-V206 HydrophobicContact CD1-CG2 3.86Å; L141-V206 HydrophobicContact CG-CG2 4.49Å; D202-V206 PolarHBondContact O-N 2.85Å; L203-V206 PolarHBondContact O-N 2.87Å; V206-Y208 PolarHBondContact O-N 3.42Å; V206-S209 VanDerWaalsContact O-CB 3.31Å; V206-S209 WeakPolarHBondContact O-CB 3.29Å; V206-S209 PolarHBondContact O-N 3.44Å; V206-S209 VanDerWaalsContact O-N 3.14Å; V206-L210 HydrophobicContact CG1-CD1 3.89Å; V206-L210 HydrophobicContact CG1-CG 4.27Å; V206-L210 WeakPolarHBondContact O-CG 3.36Å; V206-L210 PolarHBondContact O-N 2.69Å; V206-M252 HydrophobicContact CG1-CE 4.26Å
207F98.7Very high96.7Very high11 Ų1112.3 Ų12.35%0.0488%0.08CC..Hα-helixtrans-58.1-48.8177.4174.4-118.7000112.2L203 Q204 S209 L210 I211 L236 I238 I249 M252 L256L203-F207 PolarHBondContact O-N 3.04Å; Q204-F207 WeakPolarHBondContact O-CB 3.42Å; Q204-F207 PolarHBondContact O-N 2.84Å; F207-S209 VanDerWaalsContact C-N 3.29Å; F207-S209 PolarHBondContact O-N 2.79Å; F207-L210 PolarHBondContact O-N 2.8Å; F207-I211 HydrophobicContact CD1-CD1 4.11Å; F207-I211 HydrophobicContact CD2-CD1 4.39Å; F207-I211 HydrophobicContact CE1-CD1 3.74Å; F207-I211 HydrophobicContact CE2-CD1 4.03Å; F207-I211 HydrophobicContact CE2-CG1 4.34Å; F207-I211 HydrophobicContact CG-CD1 4.44Å; F207-I211 HydrophobicContact CZ-CD1 3.71Å; F207-I211 HydrophobicContact CZ-CG1 4.48Å; F207-I211 WeakPolarHBondContact O-CG1 3.41Å; F207-I211 PolarHBondContact O-N 3.28Å; F207-I211 VanDerWaalsContact O-N 3.08Å; F207-L236 HydrophobicContact CE1-CD2 3.96Å; F207-I238 HydrophobicContact CE1-CD1 4.42Å; F207-I238 HydrophobicContact CE2-CD1 4.02Å; F207-I238 HydrophobicContact CE2-CG1 4.25Å; F207-I238 HydrophobicContact CZ-CB 4.36Å; F207-I238 HydrophobicContact CZ-CD1 3.52Å; F207-I238 HydrophobicContact CZ-CG1 3.82Å; F207-I249 HydrophobicContact CD2-CG2 4.31Å; F207-I249 HydrophobicContact CE2-CG2 3.79Å; F207-M252 HydrophobicContact CB-CE 3.77Å; F207-M252 HydrophobicContact CB-SD 4.04Å; F207-M252 HydrophobicContact CD2-CB 4.35Å; F207-M252 HydrophobicContact CD2-CG 4.01Å; F207-M252 HydrophobicContact CD2-SD 3.93Å; F207-M252 HydrophobicContact CG-SD 4.46Å; F207-L256 HydrophobicContact CB-CD1 3.64Å; F207-L256 HydrophobicContact CD1-CD1 3.83Å; F207-L256 HydrophobicContact CD2-CD1 4.24Å; F207-L256 HydrophobicContact CG-CD1 3.65Å
208Y98.7Very high97.4Very high4 Ų412.4 Ų12.42%0.0168%0.081CC..Hα-helixtrans-63.8-35.3175.5-59.1-33.8000112.6Y186 Q204 V206 I211 S212 W220 K233 L236Y186-Y208 WeakPolarHBondContact O-CD2 3.29Å; Q204-Y208 HydrophobicContact CG-CD2 4.39Å; Q204-Y208 HydrophobicContact CG-CE1 4.22Å; Q204-Y208 HydrophobicContact CG-CE2 3.67Å; Q204-Y208 PolarHBondContact NE2-OH 2.87Å; Q204-Y208 WeakPolarHBondContact O-CD2 3.37Å; Q204-Y208 PolarHBondContact O-N 2.82Å; Q204-Y208 PolarHBondContact OE1-OH 3.19Å; V206-Y208 PolarHBondContact O-N 3.42Å; Y208-I211 HydrophobicContact CD1-CD1 4.35Å; Y208-I211 PolarHBondContact O-N 3.07Å; Y208-S212 WeakPolarHBondContact O-CB 3.4Å; Y208-S212 PolarHBondContact O-N 3.47Å; Y208-W220 AromaticContact CD1-CH2 3.83Å; Y208-W220 HydrophobicContact CD1-CH2 3.83Å; Y208-W220 AromaticContact CD1-CZ2 3.68Å; Y208-W220 HydrophobicContact CD1-CZ2 3.68Å; Y208-W220 HydrophobicContact CD2-CZ2 4.29Å; Y208-W220 AromaticContact CE1-CH2 3.72Å; Y208-W220 HydrophobicContact CE1-CH2 3.72Å; Y208-W220 AromaticContact CE1-CZ2 3.89Å; Y208-W220 HydrophobicContact CE1-CZ2 3.89Å; Y208-W220 HydrophobicContact CE2-CZ2 4.45Å; Y208-W220 AromaticContact CG-CZ2 3.91Å; Y208-W220 HydrophobicContact CG-CZ2 3.91Å; Y208-K233 HydrophobicContact CE2-CD 3.89Å; Y208-K233 HydrophobicContact CE2-CG 4.21Å; Y208-L236 HydrophobicContact CE1-CD2 4.2Å
209S98.7Very high97.6Very high0 Ų013.9 Ų13.90%09%0.091CC..Hα-helixtrans-61.6-44.1174.1-59.20000111.8K142 S205 V206 F207 S212 L213K142-S209 WeakPolarHBondContact CA-OG 3.4Å; S205-S209 WeakPolarHBondContact O-CB 3.39Å; S205-S209 PolarHBondContact O-N 2.99Å; S205-S209 PolarHBondContact O-OG 3.37Å; V206-S209 VanDerWaalsContact O-CB 3.31Å; V206-S209 WeakPolarHBondContact O-CB 3.29Å; V206-S209 PolarHBondContact O-N 3.44Å; V206-S209 VanDerWaalsContact O-N 3.14Å; F207-S209 VanDerWaalsContact C-N 3.29Å; F207-S209 PolarHBondContact O-N 2.79Å; S209-S212 WeakPolarHBondContact O-CB 3.44Å; S209-S212 PolarHBondContact O-N 2.71Å; S209-L213 WeakPolarHBondContact O-CB 3.47Å; S209-L213 VanDerWaalsContact O-CG 3.26Å; S209-L213 WeakPolarHBondContact O-CG 3.32Å; S209-L213 PolarHBondContact O-N 2.76Å
210L98.8Very high97.7Very high0 Ų013.2 Ų13.20%09%0.087CC..Hα-helixtrans-65.8-40.4178.8-72168.1000112.4M124 V206 F207 L213 A214 I249 M252 F274M124-L210 HydrophobicContact SD-CD2 3.8Å; M124-L210 HydrophobicContact SD-CG 4.33Å; V206-L210 HydrophobicContact CG1-CD1 3.89Å; V206-L210 HydrophobicContact CG1-CG 4.27Å; V206-L210 WeakPolarHBondContact O-CG 3.36Å; V206-L210 PolarHBondContact O-N 2.69Å; F207-L210 PolarHBondContact O-N 2.8Å; L210-L213 PolarHBondContact O-N 3.08Å; L210-A214 VanDerWaalsContact O-CB 3.3Å; L210-A214 WeakPolarHBondContact O-CB 3.35Å; L210-A214 PolarHBondContact O-N 3.09Å; L210-I249 HydrophobicContact CB-CD1 3.98Å; L210-I249 HydrophobicContact CB-CG1 4.16Å; L210-I249 WeakPolarHBondContact O-CD1 3.49Å; L210-M252 HydrophobicContact CD1-SD 3.86Å; L210-F274 HydrophobicContact CD1-CE1 3.97Å; L210-F274 HydrophobicContact CD1-CZ 3.58Å
211I98.7Very high97.7Very high0 Ų015.6 Ų15.60%010%0.1CC..Hα-helixtrans-59.1-52.6173.8-62.7167.1000109.7F207 Y208 L213 A214 T215 L218 L236 I238 V241 V242 I249F207-I211 HydrophobicContact CD1-CD1 4.11Å; F207-I211 HydrophobicContact CD2-CD1 4.39Å; F207-I211 HydrophobicContact CE1-CD1 3.74Å; F207-I211 HydrophobicContact CE2-CD1 4.03Å; F207-I211 HydrophobicContact CE2-CG1 4.34Å; F207-I211 HydrophobicContact CG-CD1 4.44Å; F207-I211 HydrophobicContact CZ-CD1 3.71Å; F207-I211 HydrophobicContact CZ-CG1 4.48Å; F207-I211 WeakPolarHBondContact O-CG1 3.41Å; F207-I211 PolarHBondContact O-N 3.28Å; F207-I211 VanDerWaalsContact O-N 3.08Å; Y208-I211 HydrophobicContact CD1-CD1 4.35Å; Y208-I211 PolarHBondContact O-N 3.07Å; I211-L213 VanDerWaalsContact C-N 3.27Å; I211-L213 PolarHBondContact O-N 3.49Å; I211-A214 PolarHBondContact O-N 3.1Å; I211-T215 HydrophobicContact CG2-CG2 4.31Å; I211-T215 PolarHBondContact O-N 2.87Å; I211-T215 PolarHBondContact O-OG1 3.41Å; I211-L218 HydrophobicContact CB-CD2 3.85Å; I211-L218 HydrophobicContact CD1-CD2 4.45Å; I211-L218 HydrophobicContact CG2-CD2 3.7Å; I211-L236 HydrophobicContact CD1-CD2 4.21Å; I211-I238 HydrophobicContact CD1-CD1 3.44Å; I211-I238 VanDerWaalsContact CD1-CD1 3.44Å; I211-I238 HydrophobicContact CG1-CD1 3.84Å; I211-V241 HydrophobicContact CG2-CG1 3.83Å; I211-V242 HydrophobicContact CB-CG2 4.43Å; I211-V242 HydrophobicContact CG1-CG2 4.04Å; I211-V242 HydrophobicContact CG2-CG2 3.93Å; I211-I249 HydrophobicContact CG1-CG2 3.91Å
212S98.3Very high97.6Very high13 Ų1321.3 Ų21.39%0.09113%0.13CC..Hα-helixtrans-54.5-43.1178.8178.90000112.2Y186 Y208 S209 A214 G216 M221Y186-S212 PolarHBondContact OH-OG 3.32Å; Y208-S212 WeakPolarHBondContact O-CB 3.4Å; Y208-S212 PolarHBondContact O-N 3.47Å; S209-S212 WeakPolarHBondContact O-CB 3.44Å; S209-S212 PolarHBondContact O-N 2.71Å; S212-A214 VanDerWaalsContact C-N 3.34Å; S212-A214 PolarHBondContact O-N 3.21Å; S212-G216 WeakPolarHBondContact O-CA 3.34Å; S212-G216 PolarHBondContact O-N 2.97Å; S212-M221 WeakPolarHBondContact OG-CE 3.45Å
213L98.5Very high97.4Very high2 Ų221.8 Ų21.81%0.0113%0.133CC..Hα-helixtrans-67.9-31.2176.8-71.1172.4000113.4L100 V104 Y112 I117 M124 P143 S209 L210 I211L100-L213 HydrophobicContact CB-CD1 4.42Å; L100-L213 HydrophobicContact CB-CD2 4.22Å; L100-L213 HydrophobicContact CD1-CD1 3.91Å; V104-L213 HydrophobicContact CB-CD2 3.94Å; V104-L213 HydrophobicContact CG1-CD2 3.95Å; V104-L213 HydrophobicContact CG2-CD2 4.19Å; Y112-L213 HydrophobicContact CD2-CB 3.91Å; Y112-L213 HydrophobicContact CD2-CD1 4.36Å; Y112-L213 HydrophobicContact CD2-CD2 4.05Å; Y112-L213 HydrophobicContact CD2-CG 4.33Å; Y112-L213 HydrophobicContact CE2-CB 4.32Å; Y112-L213 HydrophobicContact CE2-CD1 4.14Å; Y112-L213 HydrophobicContact CE2-CD2 3.61Å; Y112-L213 HydrophobicContact CE2-CG 4.24Å; Y112-L213 PolarHBondContact N-O 3.38Å; I117-L213 HydrophobicContact CD1-CB 3.67Å; M124-L213 HydrophobicContact SD-CD1 4.48Å; P143-L213 HydrophobicContact CB-CD1 4.46Å; P143-L213 HydrophobicContact CB-CD2 3.99Å; P143-L213 HydrophobicContact CB-CG 4.33Å; P143-L213 HydrophobicContact CG-CD1 4.28Å; P143-L213 HydrophobicContact CG-CD2 4.11Å; P143-L213 HydrophobicContact CG-CG 3.98Å; S209-L213 WeakPolarHBondContact O-CB 3.47Å; S209-L213 VanDerWaalsContact O-CG 3.26Å; S209-L213 WeakPolarHBondContact O-CG 3.32Å; S209-L213 PolarHBondContact O-N 2.76Å; L210-L213 PolarHBondContact O-N 3.08Å; I211-L213 VanDerWaalsContact C-N 3.27Å; I211-L213 PolarHBondContact O-N 3.49Å
214A98.3Very high97Very high1 Ų127.4 Ų27.41%0.00817%0.173CC..Hα-helixtrans-84.7-30.6-176.800000113.4I117 L210 I211 S212 Y246 I249I117-A214 HydrophobicContact CD1-CB 3.84Å; I117-A214 HydrophobicContact CG1-CB 3.94Å; L210-A214 VanDerWaalsContact O-CB 3.3Å; L210-A214 WeakPolarHBondContact O-CB 3.35Å; L210-A214 PolarHBondContact O-N 3.09Å; I211-A214 PolarHBondContact O-N 3.1Å; S212-A214 VanDerWaalsContact C-N 3.34Å; S212-A214 PolarHBondContact O-N 3.21Å; A214-Y246 HydrophobicContact CB-CD1 3.86Å; A214-Y246 HydrophobicContact CB-CD2 4.27Å; A214-Y246 HydrophobicContact CB-CE1 3.73Å; A214-Y246 HydrophobicContact CB-CE2 4.11Å; A214-Y246 HydrophobicContact CB-CG 4.14Å; A214-Y246 VanDerWaalsContact O-CZ 3.32Å; A214-Y246 PolarHBondContact O-OH 3.46Å; A214-I249 HydrophobicContact CB-CD1 3.64Å
215T97.6Very high96.8Very high47 Ų4730.5 Ų30.529%0.28819%0.19SC..Hα-helixtrans-117.5-12.1-171.866.90000113.2I211 S217 V241 V242I211-T215 HydrophobicContact CG2-CG2 4.31Å; I211-T215 PolarHBondContact O-N 2.87Å; I211-T215 PolarHBondContact O-OG1 3.41Å; T215-S217 PolarHBondContact O-N 3.2Å; T215-S217 PolarHBondContact OG1-N 2.85Å; T215-S217 PolarHBondContact OG1-O 3.45Å; T215-V241 WeakPolarHBondContact CG2-O 3.06Å; T215-V242 HydrophobicContact CG2-CG2 4.12Å
216G96.8Very high96.7Very high35 Ų3531.8 Ų31.836%0.36120%0.201SC..SBendtrans80.9-2.4-179.600000113.5I111 S212I111-G216 VanDerWaalsContact CG2-N 3.31Å; S212-G216 WeakPolarHBondContact O-CA 3.34Å; S212-G216 PolarHBondContact O-N 2.97Å
217S95.3Very high96.6Very high58 Ų5836.8 Ų36.841%0.40622%0.224SC..  trans-157.5168.2-179.8-167.90000112.3T215T215-S217 PolarHBondContact O-N 3.2Å; T215-S217 PolarHBondContact OG1-N 2.85Å; T215-S217 PolarHBondContact OG1-O 3.45Å
218L97.6Very high96.5Very high4 Ų439.9 Ų39.92%0.02124%0.239CC..  trans-118.8150.9167-74.6161.6000108.3I185 Y186 I211 W220 M221I185-L218 HydrophobicContact CG2-CD1 3.59Å; Y186-L218 HydrophobicContact CD1-CD1 4.13Å; Y186-L218 HydrophobicContact CE1-CD1 3.87Å; I211-L218 HydrophobicContact CB-CD2 3.85Å; I211-L218 HydrophobicContact CD1-CD2 4.45Å; I211-L218 HydrophobicContact CG2-CD2 3.7Å; L218-W220 HydrophobicContact CB-CD2 4.31Å; L218-W220 HydrophobicContact CB-CZ2 4.3Å; L218-W220 HydrophobicContact CD1-CZ2 4.28Å; L218-W220 HydrophobicContact CD2-CH2 4.29Å; L218-W220 HydrophobicContact CD2-CZ2 3.82Å; L218-W220 HydrophobicContact CG-CZ2 4.37Å; L218-W220 PolarHBondContact O-N 3.38Å; L218-M221 HydrophobicContact CB-CB 4.24Å; L218-M221 HydrophobicContact CB-CE 4.22Å; L218-M221 HydrophobicContact CD1-CE 4.17Å; L218-M221 HydrophobicContact CG-CE 4.18Å; L218-M221 WeakPolarHBondContact O-CB 3.14Å; L218-M221 PolarHBondContact O-N 3.35Å
219P97.3Very high96.5Very high48 Ų4839.7 Ų39.731%0.31224%0.238SC..THydrogen-bonded Turntrans-57-12.4178.7-25.934.5000114.9R232 L236 V241P219-R232 WeakPolarHBondContact O-CD 3.26Å; P219-R232 PolarHBondContact O-NH1 2.78Å; P219-L236 HydrophobicContact CG-CD1 4.03Å; P219-V241 HydrophobicContact CG-CG1 4.1Å; P219-V241 HydrophobicContact CG-CG2 3.68Å
220W97.6Very high96.4Very high0 Ų041.1 Ų41.10%024%0.244CC..THydrogen-bonded Turntrans-122.414.9179.653.778.3000113I185 Y208 L218 D222 C223 V229 R232 K233 L236I185-W220 PolarHBondContact O-NE1 2.91Å; Y208-W220 AromaticContact CD1-CH2 3.83Å; Y208-W220 HydrophobicContact CD1-CH2 3.83Å; Y208-W220 AromaticContact CD1-CZ2 3.68Å; Y208-W220 HydrophobicContact CD1-CZ2 3.68Å; Y208-W220 HydrophobicContact CD2-CZ2 4.29Å; Y208-W220 AromaticContact CE1-CH2 3.72Å; Y208-W220 HydrophobicContact CE1-CH2 3.72Å; Y208-W220 AromaticContact CE1-CZ2 3.89Å; Y208-W220 HydrophobicContact CE1-CZ2 3.89Å; Y208-W220 HydrophobicContact CE2-CZ2 4.45Å; Y208-W220 AromaticContact CG-CZ2 3.91Å; Y208-W220 HydrophobicContact CG-CZ2 3.91Å; L218-W220 HydrophobicContact CB-CD2 4.31Å; L218-W220 HydrophobicContact CB-CZ2 4.3Å; L218-W220 HydrophobicContact CD1-CZ2 4.28Å; L218-W220 HydrophobicContact CD2-CH2 4.29Å; L218-W220 HydrophobicContact CD2-CZ2 3.82Å; L218-W220 HydrophobicContact CG-CZ2 4.37Å; L218-W220 PolarHBondContact O-N 3.38Å; W220-D222 PolarHBondContact O-N 2.94Å; W220-C223 HydrophobicContact CB-CB 4.42Å; W220-C223 WeakPolarHBondContact O-CB 3.43Å; W220-C223 PolarHBondContact O-N 2.86Å; W220-C223 VanDerWaalsContact O-N 3.15Å; W220-V229 HydrophobicContact CB-CB 4.42Å; W220-V229 HydrophobicContact CB-CG1 4.32Å; W220-V229 HydrophobicContact CB-CG2 4.21Å; W220-V229 HydrophobicContact CG-CG1 3.97Å; W220-R232 HydrophobicContact CB-CB 4.05Å; W220-R232 HydrophobicContact CD2-CB 4.49Å; W220-R232 HydrophobicContact CE3-CB 3.77Å; W220-K233 HydrophobicContact CD2-CG 3.9Å; W220-K233 HydrophobicContact CE3-CG 3.93Å; W220-K233 HydrophobicContact CH2-CB 4.41Å; W220-K233 HydrophobicContact CH2-CG 3.55Å; W220-K233 HydrophobicContact CZ2-CD 4.22Å; W220-K233 HydrophobicContact CZ2-CG 3.52Å; W220-K233 HydrophobicContact CZ3-CB 4.38Å; W220-K233 HydrophobicContact CZ3-CG 3.75Å; W220-K233 VanDerWaalsContact NE1-CE 3.27Å; W220-L236 HydrophobicContact CH2-CD1 4.38Å; W220-L236 HydrophobicContact CH2-CD2 4.08Å; W220-L236 HydrophobicContact CZ3-CB 4.3Å; W220-L236 HydrophobicContact CZ3-CD1 4.03Å; W220-L236 HydrophobicContact CZ3-CD2 4.42Å; W220-L236 HydrophobicContact CZ3-CG 4.48Å
221M94.4Very high96.4Very high65 Ų6544.9 Ų44.932%0.3226%0.262SS..THydrogen-bonded Turntrans-65.8-27.7-174.3-169168.9-77.900113.1I185 S212 L218I185-M221 HydrophobicContact CG2-CE 4.32Å; S212-M221 WeakPolarHBondContact OG-CE 3.45Å; L218-M221 HydrophobicContact CB-CB 4.24Å; L218-M221 HydrophobicContact CB-CE 4.22Å; L218-M221 HydrophobicContact CD1-CE 4.17Å; L218-M221 HydrophobicContact CG-CE 4.18Å; L218-M221 WeakPolarHBondContact O-CB 3.14Å; L218-M221 PolarHBondContact O-N 3.35Å
222D93.1Very high96.3Very high132 Ų13249.1 Ų49.171%0.70628%0.278SS*.THydrogen-bonded Turntrans-88.1-6.6177.163.2-33.2000113.6W220 R232W220-D222 PolarHBondContact O-N 2.94Å; D222-R232 IonicContact OD1-NH1 3.19Å
223C93.4Very high96.3Very high11 Ų1148.8 Ų48.87%0.07428%0.275CS..  trans-81.9128.6179.9-61.40000111.4W220 E228 V229W220-C223 HydrophobicContact CB-CB 4.42Å; W220-C223 WeakPolarHBondContact O-CB 3.43Å; W220-C223 PolarHBondContact O-N 2.86Å; W220-C223 VanDerWaalsContact O-N 3.15Å; C223-E228 VanDerWaalsContact SG-CD 3.56Å; C223-E228 PolarHBondContact SG-OE1 3.14Å; C223-V229 HydrophobicContact CB-CG2 3.59Å
224S89.6Confident96.2Very high118 Ų11852.1 Ų52.183%0.82530%0.295SS*.  trans-95.7-16.3170.461.40000113.6
225N94.8Very high96.1Very high86 Ų8657.3 Ų57.346%0.4632%0.323SS..  trans-85.2122.3-179.8-176.7-20000110.4E227 E228 V229N225-E227 VanDerWaalsContact C-N 3.34Å; N225-E227 PolarHBondContact O-N 3.24Å; N225-E227 WeakPolarHBondContact OD1-CB 3.31Å; N225-E227 PolarHBondContact OD1-N 3.28Å; N225-E228 HydrophobicContact CB-CB 4.01Å; N225-E228 PolarHBondContact O-N 2.97Å; N225-V229 WeakPolarHBondContact O-CG2 3.27Å; N225-V229 PolarHBondContact O-N 3.28Å
226A95.4Very high96Very high33 Ų3356.9 Ų56.927%0.27332%0.319SS..Hα-helixtrans-60-40.4179.800000113.5I180 L184 H192 E228 V229 F230I180-A226 HydrophobicContact CD1-CB 3.67Å; L184-A226 HydrophobicContact CD1-CB 3.83Å; L184-A226 HydrophobicContact CD2-CB 4.45Å; H192-A226 PolarHBondContact CE1-O 3.4Å; H192-A226 PolarHBondContact ND1-O 2.83Å; A226-E228 VanDerWaalsContact C-N 3.34Å; A226-E228 PolarHBondContact O-N 3.36Å; A226-V229 PolarHBondContact O-N 3.19Å; A226-F230 WeakPolarHBondContact O-CB 3.47Å; A226-F230 PolarHBondContact O-N 3.16Å
227E96.4Very high95.9Very high104 Ų10462 Ų6249%0.48633%0.331SS..Hα-helixtrans-64.9-40.4178.4-178.457-149.400111.2N225 F230 Q231N225-E227 VanDerWaalsContact C-N 3.34Å; N225-E227 PolarHBondContact O-N 3.24Å; N225-E227 WeakPolarHBondContact OD1-CB 3.31Å; N225-E227 PolarHBondContact OD1-N 3.28Å; E227-F230 WeakPolarHBondContact O-CB 3.12Å; E227-F230 PolarHBondContact O-N 3.46Å; E227-Q231 WeakPolarHBondContact O-CG 3.38Å; E227-Q231 PolarHBondContact O-N 3.19Å; E227-Q231 PolarHBondContact OE1-NE2 3.03Å
228E97.2Very high96Very high76 Ų7660.3 Ų60.336%0.35532%0.317SS..Hα-helixtrans-65.6-43.1176.8-171.1-179.217700111.6C223 N225 A226 F230 Q231 R232C223-E228 VanDerWaalsContact SG-CD 3.56Å; C223-E228 PolarHBondContact SG-OE1 3.14Å; N225-E228 HydrophobicContact CB-CB 4.01Å; N225-E228 PolarHBondContact O-N 2.97Å; A226-E228 VanDerWaalsContact C-N 3.34Å; A226-E228 PolarHBondContact O-N 3.36Å; E228-F230 VanDerWaalsContact C-N 3.3Å; E228-F230 PolarHBondContact O-N 3.46Å; E228-Q231 PolarHBondContact O-N 3.46Å; E228-R232 WeakPolarHBondContact O-CG 3.49Å; E228-R232 PolarHBondContact O-N 3.49Å; E228-R232 IonicContact OE1-CZ 2.98Å; E228-R232 IonicContact OE1-NE 3.46Å; E228-R232 PolarHBondContact OE1-NE 3.32Å; E228-R232 IonicContact OE1-NH2 3.51Å; E228-R232 PolarHBondContact OE1-NH2 2.92Å
229V98Very high95.9Very high0 Ų067.6 Ų67.60%035%0.351CS..Hα-helixtrans-58.6-44.2174.1172.70000110.5L184 W220 C223 N225 A226 R232 K233L184-V229 HydrophobicContact CD2-CG2 4.23Å; L184-V229 HydrophobicContact CG-CG1 4.43Å; L184-V229 HydrophobicContact CG-CG2 4.31Å; W220-V229 HydrophobicContact CB-CB 4.42Å; W220-V229 HydrophobicContact CB-CG1 4.32Å; W220-V229 HydrophobicContact CB-CG2 4.21Å; W220-V229 HydrophobicContact CG-CG1 3.97Å; C223-V229 HydrophobicContact CB-CG2 3.59Å; N225-V229 WeakPolarHBondContact O-CG2 3.27Å; N225-V229 PolarHBondContact O-N 3.28Å; A226-V229 PolarHBondContact O-N 3.19Å; V229-R232 PolarHBondContact O-N 3.24Å; V229-K233 HydrophobicContact CG1-CD 4.01Å; V229-K233 VanDerWaalsContact O-CG 3.32Å; V229-K233 WeakPolarHBondContact O-CG 3.33Å; V229-K233 PolarHBondContact O-N 3.33Å
230F97.7Very high95.8Very high30 Ų3071.2 Ų71.213%0.13237%0.368CS..Hα-helixtrans-58.6-51.4176.1175.4-108.7000111.8I189 H192 L193 A226 E227 E228 R232 K233 V234I189-F230 HydrophobicContact CB-CE2 4.47Å; I189-F230 HydrophobicContact CG2-CD2 4.37Å; I189-F230 HydrophobicContact CG2-CE2 3.62Å; I189-F230 HydrophobicContact CG2-CZ 4.41Å; H192-F230 HydrophobicContact CB-CB 4.28Å; H192-F230 HydrophobicContact CB-CD2 3.44Å; H192-F230 VanDerWaalsContact CB-CD2 3.44Å; H192-F230 HydrophobicContact CB-CE2 4.13Å; H192-F230 HydrophobicContact CB-CG 4.2Å; H192-F230 AromaticContact CG-CD2 3.97Å; L193-F230 HydrophobicContact CD1-CE2 4.28Å; L193-F230 HydrophobicContact CD1-CZ 4.39Å; L193-F230 HydrophobicContact CD2-CE2 3.92Å; L193-F230 HydrophobicContact CD2-CZ 3.78Å; L193-F230 HydrophobicContact CG-CE2 3.85Å; L193-F230 HydrophobicContact CG-CZ 4.14Å; A226-F230 WeakPolarHBondContact O-CB 3.47Å; A226-F230 PolarHBondContact O-N 3.16Å; E227-F230 WeakPolarHBondContact O-CB 3.12Å; E227-F230 PolarHBondContact O-N 3.46Å; E228-F230 VanDerWaalsContact C-N 3.3Å; E228-F230 PolarHBondContact O-N 3.46Å; F230-R232 VanDerWaalsContact C-N 3.35Å; F230-R232 PolarHBondContact O-N 3.3Å; F230-K233 WeakPolarHBondContact O-CB 3.41Å; F230-K233 PolarHBondContact O-N 2.78Å; F230-K233 VanDerWaalsContact O-N 3.1Å; F230-V234 HydrophobicContact CD1-CG2 4.45Å; F230-V234 HydrophobicContact CD2-CG2 4.28Å; F230-V234 HydrophobicContact CE1-CG2 4.05Å; F230-V234 HydrophobicContact CE2-CG2 3.92Å; F230-V234 HydrophobicContact CZ-CG2 3.77Å; F230-V234 WeakPolarHBondContact O-CG2 3.29Å; F230-V234 PolarHBondContact O-N 3.47Å
231Q97.9Very high95.8Very high79 Ų7973.3 Ų73.337%0.36938%0.38SS..Hα-helixtrans-62.5-40.1-179.2-67.1-58.6-30.600112.2E227 E228 K233 V234 N235E227-Q231 WeakPolarHBondContact O-CG 3.38Å; E227-Q231 PolarHBondContact O-N 3.19Å; E227-Q231 PolarHBondContact OE1-NE2 3.03Å; E228-Q231 PolarHBondContact O-N 3.46Å; Q231-K233 VanDerWaalsContact C-N 3.31Å; Q231-K233 PolarHBondContact O-N 3.44Å; Q231-V234 PolarHBondContact O-N 2.9Å; Q231-N235 WeakPolarHBondContact O-CB 3.48Å; Q231-N235 PolarHBondContact O-N 3.14Å; Q231-N235 PolarHBondContact O-ND2 2.98Å
232R97.9Very high95.9Very high89 Ų8970.4 Ų70.434%0.33637%0.366SS..Hα-helixtrans-67.2-31.4175.8-66.6-169.2-172.8-1727.5112.2P219 W220 D222 E228 V229 F230 L236P219-R232 WeakPolarHBondContact O-CD 3.26Å; P219-R232 PolarHBondContact O-NH1 2.78Å; W220-R232 HydrophobicContact CB-CB 4.05Å; W220-R232 HydrophobicContact CD2-CB 4.49Å; W220-R232 HydrophobicContact CE3-CB 3.77Å; D222-R232 IonicContact OD1-NH1 3.19Å; E228-R232 WeakPolarHBondContact O-CG 3.49Å; E228-R232 PolarHBondContact O-N 3.49Å; E228-R232 IonicContact OE1-CZ 2.98Å; E228-R232 IonicContact OE1-NE 3.46Å; E228-R232 PolarHBondContact OE1-NE 3.32Å; E228-R232 IonicContact OE1-NH2 3.51Å; E228-R232 PolarHBondContact OE1-NH2 2.92Å; V229-R232 PolarHBondContact O-N 3.24Å; F230-R232 VanDerWaalsContact C-N 3.35Å; F230-R232 PolarHBondContact O-N 3.3Å; R232-L236 PolarHBondContact O-N 2.83Å
233K97.4Very high96.1Very high6 Ų666.9 Ų66.93%0.02635%0.352CS..Hα-helixtrans-68.1-47.1173-77.2169.6177.11740112.4L184 I185 A187 I189 H192 Y208 W220 V229 F230 Q231 N235 L236L184-K233 PolarHBondContact O-NZ 3.4Å; I185-K233 WeakPolarHBondContact O-CE 3.5Å; I185-K233 PolarHBondContact O-NZ 2.95Å; A187-K233 WeakPolarHBondContact O-CE 3.29Å; A187-K233 PolarHBondContact O-NZ 2.92Å; I189-K233 HydrophobicContact CD1-CB 4.32Å; I189-K233 HydrophobicContact CG1-CB 3.94Å; H192-K233 PolarHBondContact NE2-NZ 3.22Å; Y208-K233 HydrophobicContact CE2-CD 3.89Å; Y208-K233 HydrophobicContact CE2-CG 4.21Å; W220-K233 HydrophobicContact CD2-CG 3.9Å; W220-K233 HydrophobicContact CE3-CG 3.93Å; W220-K233 HydrophobicContact CH2-CB 4.41Å; W220-K233 HydrophobicContact CH2-CG 3.55Å; W220-K233 HydrophobicContact CZ2-CD 4.22Å; W220-K233 HydrophobicContact CZ2-CG 3.52Å; W220-K233 HydrophobicContact CZ3-CB 4.38Å; W220-K233 HydrophobicContact CZ3-CG 3.75Å; W220-K233 VanDerWaalsContact NE1-CE 3.27Å; V229-K233 HydrophobicContact CG1-CD 4.01Å; V229-K233 VanDerWaalsContact O-CG 3.32Å; V229-K233 WeakPolarHBondContact O-CG 3.33Å; V229-K233 PolarHBondContact O-N 3.33Å; F230-K233 WeakPolarHBondContact O-CB 3.41Å; F230-K233 PolarHBondContact O-N 2.78Å; F230-K233 VanDerWaalsContact O-N 3.1Å; Q231-K233 VanDerWaalsContact C-N 3.31Å; Q231-K233 PolarHBondContact O-N 3.44Å; K233-N235 VanDerWaalsContact C-N 3.27Å; K233-N235 PolarHBondContact O-N 3.46Å; K233-L236 VanDerWaalsContact O-CB 3.28Å; K233-L236 WeakPolarHBondContact O-CB 3.2Å; K233-L236 PolarHBondContact O-N 2.98Å
234V96.1Very high96.2Very high73 Ų7374.6 Ų74.644%0.44239%0.387SS..Hα-helixtrans-61.2-38.6178.31710000111.3I189 F230 Q231 L236I189-V234 HydrophobicContact CD1-CG2 4.11Å; I189-V234 HydrophobicContact CG1-CG2 4.45Å; I189-V234 HydrophobicContact CG2-CG2 4.3Å; F230-V234 HydrophobicContact CD1-CG2 4.45Å; F230-V234 HydrophobicContact CD2-CG2 4.28Å; F230-V234 HydrophobicContact CE1-CG2 4.05Å; F230-V234 HydrophobicContact CE2-CG2 3.92Å; F230-V234 HydrophobicContact CZ-CG2 3.77Å; F230-V234 WeakPolarHBondContact O-CG2 3.29Å; F230-V234 PolarHBondContact O-N 3.47Å; Q231-V234 PolarHBondContact O-N 2.9Å; V234-L236 VanDerWaalsContact C-N 3.33Å
235N96.1Very high96.5Very high110 Ų11073.8 Ų73.859%0.58837%0.37SS*.THydrogen-bonded Turntrans-89.88.1-178.9-66.5-60.9000114.1Q231 K233 K237Q231-N235 WeakPolarHBondContact O-CB 3.48Å; Q231-N235 PolarHBondContact O-N 3.14Å; Q231-N235 PolarHBondContact O-ND2 2.98Å; K233-N235 VanDerWaalsContact C-N 3.27Å; K233-N235 PolarHBondContact O-N 3.46Å; N235-K237 PolarHBondContact O-N 3.04Å; N235-K237 VanDerWaalsContact O-N 3.15Å
236L96.5Very high96.7Very high38 Ų3870 Ų7020%0.19935%0.349CS..  trans-63.3117.8-178.6178.771.4000110.7F207 Y208 I211 P219 W220 R232 K233 V234 V241F207-L236 HydrophobicContact CE1-CD2 3.96Å; Y208-L236 HydrophobicContact CE1-CD2 4.2Å; I211-L236 HydrophobicContact CD1-CD2 4.21Å; P219-L236 HydrophobicContact CG-CD1 4.03Å; W220-L236 HydrophobicContact CH2-CD1 4.38Å; W220-L236 HydrophobicContact CH2-CD2 4.08Å; W220-L236 HydrophobicContact CZ3-CB 4.3Å; W220-L236 HydrophobicContact CZ3-CD1 4.03Å; W220-L236 HydrophobicContact CZ3-CD2 4.42Å; W220-L236 HydrophobicContact CZ3-CG 4.48Å; R232-L236 PolarHBondContact O-N 2.83Å; K233-L236 VanDerWaalsContact O-CB 3.28Å; K233-L236 WeakPolarHBondContact O-CB 3.2Å; K233-L236 PolarHBondContact O-N 2.98Å; V234-L236 VanDerWaalsContact C-N 3.33Å; L236-V241 HydrophobicContact CD1-CB 4.44Å; L236-V241 HydrophobicContact CD1-CG2 3.66Å
237K95.1Very high96.8Very high141 Ų14171.1 Ų71.161%0.61335%0.349SS*.  trans-99.8106.4163.9-69.1177.4179.91790108.6N235 Q239 D240N235-K237 PolarHBondContact O-N 3.04Å; N235-K237 VanDerWaalsContact O-N 3.15Å; K237-Q239 PolarHBondContact O-N 2.85Å; K237-D240 HydrophobicContact CB-CB 4.26Å; K237-D240 VanDerWaalsContact CB-OD2 3.24Å; K237-D240 WeakPolarHBondContact CB-OD2 3.4Å; K237-D240 VanDerWaalsContact CD-OD2 3.24Å; K237-D240 WeakPolarHBondContact CD-OD2 3.18Å; K237-D240 WeakPolarHBondContact O-CB 3.4Å; K237-D240 PolarHBondContact O-N 2.88Å
238I95.8Very high96.9Very high23 Ų2366.2 Ų66.212%0.11833%0.326CS..G310 helixtrans-60.4-33.3-170.6-169.357.8000113.4F207 I211 D240 V241 V242 I249 L250F207-I238 HydrophobicContact CE1-CD1 4.42Å; F207-I238 HydrophobicContact CE2-CD1 4.02Å; F207-I238 HydrophobicContact CE2-CG1 4.25Å; F207-I238 HydrophobicContact CZ-CB 4.36Å; F207-I238 HydrophobicContact CZ-CD1 3.52Å; F207-I238 HydrophobicContact CZ-CG1 3.82Å; I211-I238 HydrophobicContact CD1-CD1 3.44Å; I211-I238 VanDerWaalsContact CD1-CD1 3.44Å; I211-I238 HydrophobicContact CG1-CD1 3.84Å; I238-D240 PolarHBondContact O-N 2.96Å; I238-V241 PolarHBondContact O-N 2.79Å; I238-V241 VanDerWaalsContact O-N 3.12Å; I238-V242 HydrophobicContact CD1-CB 4.14Å; I238-V242 HydrophobicContact CD1-CG2 3.56Å; I238-V242 HydrophobicContact CG1-CB 4.37Å; I238-V242 HydrophobicContact CG1-CG2 4.31Å; I238-V242 PolarHBondContact O-N 3.37Å; I238-I249 HydrophobicContact CD1-CG2 4.25Å; I238-L250 HydrophobicContact CG1-CD2 4.03Å; I238-L250 HydrophobicContact CG2-CD2 4.08Å
239Q95.6Very high96.9Very high157 Ų15762.6 Ų62.673%0.73431%0.309SS*.G310 helixtrans-66.2-23.5178.2-651733.600113.1K237 V241 L250K237-Q239 PolarHBondContact O-N 2.85Å; Q239-V241 VanDerWaalsContact C-N 3.29Å; Q239-L250 HydrophobicContact CG-CD2 4.3Å
240D96Very high97Very high124 Ų12464 Ų6466%0.66332%0.317SS*.G310 helixtrans-81.6-13.3177.9-60.8-14.9000111.8K237 I238K237-D240 HydrophobicContact CB-CB 4.26Å; K237-D240 VanDerWaalsContact CB-OD2 3.24Å; K237-D240 WeakPolarHBondContact CB-OD2 3.4Å; K237-D240 VanDerWaalsContact CD-OD2 3.24Å; K237-D240 WeakPolarHBondContact CD-OD2 3.18Å; K237-D240 WeakPolarHBondContact O-CB 3.4Å; K237-D240 PolarHBondContact O-N 2.88Å; I238-D240 PolarHBondContact O-N 2.96Å
241V96.6Very high97Very high44 Ų4465.6 Ų65.627%0.26732%0.324SS..THydrogen-bonded Turntrans-114.6-36.3-172.7-177.90000112.1I211 T215 P219 L236 I238 Q239I211-V241 HydrophobicContact CG2-CG1 3.83Å; T215-V241 WeakPolarHBondContact CG2-O 3.06Å; P219-V241 HydrophobicContact CG-CG1 4.1Å; P219-V241 HydrophobicContact CG-CG2 3.68Å; L236-V241 HydrophobicContact CD1-CB 4.44Å; L236-V241 HydrophobicContact CD1-CG2 3.66Å; I238-V241 PolarHBondContact O-N 2.79Å; I238-V241 VanDerWaalsContact O-N 3.12Å; Q239-V241 VanDerWaalsContact C-N 3.29Å
242V97.4Very high97Very high4 Ų461.9 Ų61.92%0.02431%0.306CS..SBendtrans-117.3125-173.7177.50000109.5I211 T215 I238 Y246 I249 L250I211-V242 HydrophobicContact CB-CG2 4.43Å; I211-V242 HydrophobicContact CG1-CG2 4.04Å; I211-V242 HydrophobicContact CG2-CG2 3.93Å; T215-V242 HydrophobicContact CG2-CG2 4.12Å; I238-V242 HydrophobicContact CD1-CB 4.14Å; I238-V242 HydrophobicContact CD1-CG2 3.56Å; I238-V242 HydrophobicContact CG1-CB 4.37Å; I238-V242 HydrophobicContact CG1-CG2 4.31Å; I238-V242 PolarHBondContact O-N 3.37Å; V242-Y246 HydrophobicContact CG1-CD2 3.93Å; V242-Y246 HydrophobicContact CG1-CG 4.14Å; V242-I249 HydrophobicContact CG1-CB 4.26Å; V242-I249 HydrophobicContact CG1-CG2 4.15Å; V242-I249 HydrophobicContact CG2-CG2 4.12Å; V242-L250 HydrophobicContact CB-CD2 4.28Å; V242-L250 HydrophobicContact CG1-CD2 4.39Å; V242-L250 HydrophobicContact CG1-CG 4.43Å
243S96.4Very high97Very high59 Ų5958.2 Ų58.241%0.41330%0.296SS..  trans-70.8153.5177.953.70000112.4Q245 Y246S243-Q245 PolarHBondContact O-N 2.98Å; S243-Q245 WeakPolarHBondContact OG-CG 3.49Å; S243-Y246 PolarHBondContact O-N 3.41Å; S243-Y246 WeakPolarHBondContact OG-CD2 3.38Å
244E96.6Very high97Very high173 Ų17361.5 Ų61.581%0.80832%0.32SS*.THydrogen-bonded Turntrans-56.9-20.9-175.8-64.3-175.8167.600114.7Y246E244-Y246 PolarHBondContact O-N 2.7Å
245Q96Very high97.1Very high100 Ų10059.8 Ų59.847%0.46731%0.306SS..THydrogen-bonded Turntrans-65.1-19.3176.267.8-17916.500113.7P114 S243P114-Q245 VanDerWaalsContact CB-O 3.32Å; P114-Q245 WeakPolarHBondContact CB-O 3.44Å; P114-Q245 HydrophobicContact CG-CB 3.94Å; P114-Q245 HydrophobicContact CG-CG 3.73Å; S243-Q245 PolarHBondContact O-N 2.98Å; S243-Q245 WeakPolarHBondContact OG-CG 3.49Å
246Y97.8Very high97.1Very high6 Ų654.9 Ų54.92%0.02428%0.28CS..  trans-100.764.3176.6-59.3-77000110.6Y112 P114 I117 A214 V242 S243 E244 S248 I249 L250Y112-Y246 WeakPolarHBondContact O-CE1 3.42Å; Y112-Y246 PolarHBondContact O-OH 3.13Å; P114-Y246 HydrophobicContact CB-CD1 4.12Å; P114-Y246 HydrophobicContact CB-CE1 4.23Å; P114-Y246 HydrophobicContact CG-CD1 3.97Å; P114-Y246 HydrophobicContact CG-CE1 3.75Å; I117-Y246 HydrophobicContact CB-CD1 4.2Å; I117-Y246 HydrophobicContact CB-CE1 4.42Å; I117-Y246 HydrophobicContact CG1-CD1 3.98Å; I117-Y246 HydrophobicContact CG1-CE1 3.81Å; I117-Y246 HydrophobicContact CG2-CD1 4.26Å; A214-Y246 HydrophobicContact CB-CD1 3.86Å; A214-Y246 HydrophobicContact CB-CD2 4.27Å; A214-Y246 HydrophobicContact CB-CE1 3.73Å; A214-Y246 HydrophobicContact CB-CE2 4.11Å; A214-Y246 HydrophobicContact CB-CG 4.14Å; A214-Y246 VanDerWaalsContact O-CZ 3.32Å; A214-Y246 PolarHBondContact O-OH 3.46Å; V242-Y246 HydrophobicContact CG1-CD2 3.93Å; V242-Y246 HydrophobicContact CG1-CG 4.14Å; S243-Y246 PolarHBondContact O-N 3.41Å; S243-Y246 WeakPolarHBondContact OG-CD2 3.38Å; E244-Y246 PolarHBondContact O-N 2.7Å; Y246-S248 VanDerWaalsContact C-N 3.34Å; Y246-S248 PolarHBondContact O-N 2.79Å; Y246-I249 PolarHBondContact O-N 3.09Å; Y246-L250 PolarHBondContact O-N 3.4Å
247E98Very high97Very high58 Ų5856.5 Ų56.527%0.27131%0.305SS..Hα-helixtrans-63.5-37.8-167.6-170.3-174.1163.800112.4I249 L250 K251 E277 R280E247-I249 PolarHBondContact O-N 3.28Å; E247-L250 PolarHBondContact O-N 2.95Å; E247-K251 HydrophobicContact CG-CD 4.39Å; E247-K251 WeakPolarHBondContact O-CG 3.21Å; E247-K251 PolarHBondContact O-N 2.92Å; E247-K251 WeakPolarHBondContact OE1-CE 3.14Å; E247-K251 IonicContact OE1-NZ 2.64Å; E247-K251 PolarHBondContact OE1-NZ 3.1Å; E247-E277 PolarHBondContact N-OE1 2.86Å; E247-R280 IonicContact OE2-CZ 3.74Å; E247-R280 IonicContact OE2-NE 2.89Å; E247-R280 PolarHBondContact OE2-NE 3.42Å; E247-R280 IonicContact OE2-NH2 3.78Å
248S98.5Very high96.8Very high0 Ų054.4 Ų54.40%031%0.308CS..Hα-helixtrans-62.8-39178.157.10000112.8Y246 K251 M252 F274 E277Y246-S248 VanDerWaalsContact C-N 3.34Å; Y246-S248 PolarHBondContact O-N 2.79Å; S248-K251 PolarHBondContact O-N 2.83Å; S248-M252 VanDerWaalsContact O-CB 3.32Å; S248-M252 WeakPolarHBondContact O-CB 3.32Å; S248-M252 PolarHBondContact O-N 3.14Å; S248-F274 WeakPolarHBondContact OG-CD1 3.42Å; S248-F274 VanDerWaalsContact OG-CE1 3.27Å; S248-F274 WeakPolarHBondContact OG-CE1 3.26Å; S248-E277 WeakPolarHBondContact CA-OE2 3.38Å; S248-E277 WeakPolarHBondContact CB-OE2 3.4Å; S248-E277 PolarHBondContact N-OE2 3.17Å; S248-E277 PolarHBondContact OG-OE2 3.18Å
249I98.5Very high96.6Very high0 Ų054.4 Ų54.40%031%0.311CS..Hα-helixtrans-65.7-44.6176.7-62.7-178.6000109.7I117 F207 L210 I211 A214 I238 V242 Y246 E247 K251 M252 G253I117-I249 HydrophobicContact CG2-CD1 3.73Å; I117-I249 HydrophobicContact CG2-CG1 4Å; F207-I249 HydrophobicContact CD2-CG2 4.31Å; F207-I249 HydrophobicContact CE2-CG2 3.79Å; L210-I249 HydrophobicContact CB-CD1 3.98Å; L210-I249 HydrophobicContact CB-CG1 4.16Å; L210-I249 WeakPolarHBondContact O-CD1 3.49Å; I211-I249 HydrophobicContact CG1-CG2 3.91Å; A214-I249 HydrophobicContact CB-CD1 3.64Å; I238-I249 HydrophobicContact CD1-CG2 4.25Å; V242-I249 HydrophobicContact CG1-CB 4.26Å; V242-I249 HydrophobicContact CG1-CG2 4.15Å; V242-I249 HydrophobicContact CG2-CG2 4.12Å; Y246-I249 PolarHBondContact O-N 3.09Å; E247-I249 PolarHBondContact O-N 3.28Å; I249-K251 PolarHBondContact O-N 3.2Å; I249-M252 PolarHBondContact O-N 3.03Å; I249-G253 PolarHBondContact O-N 2.85Å
250L98.6Very high96.3Very high30 Ų3052.8 Ų52.816%0.15731%0.307CS..Hα-helixtrans-60.3-46177.7-67173.2000111.5I238 Q239 V242 Y246 E247 G253 S254I238-L250 HydrophobicContact CG1-CD2 4.03Å; I238-L250 HydrophobicContact CG2-CD2 4.08Å; Q239-L250 HydrophobicContact CG-CD2 4.3Å; V242-L250 HydrophobicContact CB-CD2 4.28Å; V242-L250 HydrophobicContact CG1-CD2 4.39Å; V242-L250 HydrophobicContact CG1-CG 4.43Å; Y246-L250 PolarHBondContact O-N 3.4Å; E247-L250 PolarHBondContact O-N 2.95Å; L250-G253 PolarHBondContact O-N 3.19Å; L250-S254 PolarHBondContact O-N 2.64Å; L250-S254 PolarHBondContact O-OG 3.23Å
251K98.4Very high95.9Very high64 Ų6451.4 Ų51.428%0.27830%0.295SS..Hα-helixtrans-63.1-40.7175.8-72.4177.7-179.21680112.7E247 S248 I249 G253 S254 Y255 Y273E247-K251 HydrophobicContact CG-CD 4.39Å; E247-K251 WeakPolarHBondContact O-CG 3.21Å; E247-K251 PolarHBondContact O-N 2.92Å; E247-K251 WeakPolarHBondContact OE1-CE 3.14Å; E247-K251 IonicContact OE1-NZ 2.64Å; E247-K251 PolarHBondContact OE1-NZ 3.1Å; S248-K251 PolarHBondContact O-N 2.83Å; I249-K251 PolarHBondContact O-N 3.2Å; K251-G253 VanDerWaalsContact C-N 3.33Å; K251-S254 PolarHBondContact O-N 2.93Å; K251-Y255 WeakPolarHBondContact O-CB 3.28Å; K251-Y255 PolarHBondContact O-N 3.17Å; K251-Y273 HydrophobicContact CB-CD1 4.04Å; K251-Y273 HydrophobicContact CB-CD2 3.66Å; K251-Y273 HydrophobicContact CB-CE1 4.21Å; K251-Y273 HydrophobicContact CB-CE2 3.85Å; K251-Y273 HydrophobicContact CB-CG 3.76Å; K251-Y273 HydrophobicContact CD-CD1 3.72Å; K251-Y273 HydrophobicContact CD-CE1 4.16Å; K251-Y273 HydrophobicContact CD-CG 4.06Å; K251-Y273 HydrophobicContact CG-CD1 4.47Å
252M98.3Very high95.4Very high0 Ų054.2 Ų54.20%031%0.312CS..Hα-helixtrans-62.4-41.2174.2-175.6-179.5-172.500111.3I125 L203 V206 F207 L210 S248 I249 Y255 L256 L270 F274I125-M252 HydrophobicContact CD1-CE 3.89Å; L203-M252 HydrophobicContact CD1-CE 3.4Å; L203-M252 VanDerWaalsContact CD1-CE 3.4Å; L203-M252 HydrophobicContact CG-CE 3.82Å; L203-M252 WeakPolarHBondContact O-CE 3.41Å; V206-M252 HydrophobicContact CG1-CE 4.26Å; F207-M252 HydrophobicContact CB-CE 3.77Å; F207-M252 HydrophobicContact CB-SD 4.04Å; F207-M252 HydrophobicContact CD2-CB 4.35Å; F207-M252 HydrophobicContact CD2-CG 4.01Å; F207-M252 HydrophobicContact CD2-SD 3.93Å; F207-M252 HydrophobicContact CG-SD 4.46Å; L210-M252 HydrophobicContact CD1-SD 3.86Å; S248-M252 VanDerWaalsContact O-CB 3.32Å; S248-M252 WeakPolarHBondContact O-CB 3.32Å; S248-M252 PolarHBondContact O-N 3.14Å; I249-M252 PolarHBondContact O-N 3.03Å; M252-Y255 WeakPolarHBondContact O-CB 3.49Å; M252-Y255 PolarHBondContact O-N 3.29Å; M252-L256 HydrophobicContact CE-CD1 4.45Å; M252-L256 HydrophobicContact CG-CD1 4.31Å; M252-L256 WeakPolarHBondContact O-CG 3.46Å; M252-L256 PolarHBondContact O-N 2.75Å; M252-L270 HydrophobicContact CG-CD2 3.93Å; M252-F274 HydrophobicContact SD-CZ 4.2Å
253G97.7Very high95Very high12 Ų1256.5 Ų56.512%0.12434%0.336CS..Hα-helixtrans-60.7-46.7174.400000112.4I249 L250 K251 Y255 L256 G257I249-G253 PolarHBondContact O-N 2.85Å; L250-G253 PolarHBondContact O-N 3.19Å; K251-G253 VanDerWaalsContact C-N 3.33Å; G253-Y255 VanDerWaalsContact C-N 3.34Å; G253-Y255 PolarHBondContact O-N 2.68Å; G253-L256 PolarHBondContact O-N 3Å; G253-G257 PolarHBondContact O-N 3.41Å
254S97.3Very high94.8Very high76 Ų7659.1 Ų59.153%0.53135%0.35SS..Hα-helixtrans-61.9-40.2174-59.90000112.5L250 K251 G257 S258L250-S254 PolarHBondContact O-N 2.64Å; L250-S254 PolarHBondContact O-OG 3.23Å; K251-S254 PolarHBondContact O-N 2.93Å; S254-G257 PolarHBondContact O-N 3.17Å; S254-S258 WeakPolarHBondContact O-CB 3.37Å; S254-S258 PolarHBondContact O-N 3.19Å; S254-S258 PolarHBondContact O-OG 3.43Å
255Y97.6Very high94.8Very high37 Ų3751 Ų5115%0.14531%0.313CS..Hα-helixtrans-60.4-49.8175.9178.5-94.5000111.4W200 L203 K251 M252 G253 S258 S259 N266 V269 L270W200-Y255 HydrophobicContact CH2-CE1 4.05Å; W200-Y255 AromaticContact CZ3-CE1 3.73Å; W200-Y255 HydrophobicContact CZ3-CE1 3.73Å; L203-Y255 HydrophobicContact CD2-CE1 4.21Å; K251-Y255 WeakPolarHBondContact O-CB 3.28Å; K251-Y255 PolarHBondContact O-N 3.17Å; M252-Y255 WeakPolarHBondContact O-CB 3.49Å; M252-Y255 PolarHBondContact O-N 3.29Å; G253-Y255 VanDerWaalsContact C-N 3.34Å; G253-Y255 PolarHBondContact O-N 2.68Å; Y255-S258 PolarHBondContact O-N 2.88Å; Y255-S258 PolarHBondContact O-OG 2.67Å; Y255-S258 VanDerWaalsContact O-OG 3.09Å; Y255-S259 PolarHBondContact O-N 3.23Å; Y255-S259 PolarHBondContact O-OG 3.22Å; Y255-N266 PolarHBondContact OH-N 3.23Å; Y255-V269 HydrophobicContact CD2-CG1 4.43Å; Y255-L270 HydrophobicContact CD1-CD2 3.74Å; Y255-L270 HydrophobicContact CD1-CG 4.31Å; Y255-L270 HydrophobicContact CE1-CD1 4.14Å; Y255-L270 HydrophobicContact CE1-CD2 4.13Å; Y255-L270 HydrophobicContact CE1-CG 4.23Å; Y255-L270 HydrophobicContact CG-CD2 4.22Å
256L96.4Very high94.8Very high7 Ų750 Ų504%0.03731%0.31CS..Hα-helixtrans-62.5-43.1177.2-72.9171.8000112.2W200 L203 F207 M252 G253 S258 S259 F261W200-L256 HydrophobicContact CE3-CD2 4.25Å; W200-L256 HydrophobicContact CZ3-CD2 4.47Å; L203-L256 HydrophobicContact CD2-CD2 3.61Å; L203-L256 HydrophobicContact CG-CD2 3.95Å; F207-L256 HydrophobicContact CB-CD1 3.64Å; F207-L256 HydrophobicContact CD1-CD1 3.83Å; F207-L256 HydrophobicContact CD2-CD1 4.24Å; F207-L256 HydrophobicContact CG-CD1 3.65Å; M252-L256 HydrophobicContact CE-CD1 4.45Å; M252-L256 HydrophobicContact CG-CD1 4.31Å; M252-L256 WeakPolarHBondContact O-CG 3.46Å; M252-L256 PolarHBondContact O-N 2.75Å; G253-L256 PolarHBondContact O-N 3Å; L256-S258 VanDerWaalsContact C-N 3.29Å; L256-S258 PolarHBondContact O-N 3.18Å; L256-S259 PolarHBondContact O-N 3.14Å; L256-F261 HydrophobicContact CD2-CE1 4.37Å; L256-F261 WeakPolarHBondContact O-CZ 3.48Å
257G93.8Very high94.8Very high71 Ų7150.6 Ų50.673%0.73231%0.313SS*.Hα-helixtrans-69.2-22.9-179.500000114.7G253 S254G253-G257 PolarHBondContact O-N 3.41Å; S254-G257 PolarHBondContact O-N 3.17Å
258S92.6Very high94.8Very high98 Ų9858 Ų5869%0.68534%0.338SS*.Hα-helixtrans-94.6-6.1176.164.50000113.8S254 Y255 L256S254-S258 WeakPolarHBondContact O-CB 3.37Å; S254-S258 PolarHBondContact O-N 3.19Å; S254-S258 PolarHBondContact O-OG 3.43Å; Y255-S258 PolarHBondContact O-N 2.88Å; Y255-S258 PolarHBondContact O-OG 2.67Å; Y255-S258 VanDerWaalsContact O-OG 3.09Å; L256-S258 VanDerWaalsContact C-N 3.29Å; L256-S258 PolarHBondContact O-N 3.18Å
259S91Very high94.8Very high23 Ų2360.1 Ų60.116%0.16135%0.351CS..  trans-82.5144-177.6-67.20000111.2W200 Y255 L256 F261W200-S259 WeakPolarHBondContact CZ3-OG 3.34Å; Y255-S259 PolarHBondContact O-N 3.23Å; Y255-S259 PolarHBondContact O-OG 3.22Å; L256-S259 PolarHBondContact O-N 3.14Å; S259-F261 VanDerWaalsContact C-N 3.26Å
260N88.3Confident94.8Very high123 Ų12360.1 Ų60.166%0.65835%0.351SS*.  trans-87.13.2171.366.1-3.1000112.9V262N260-V262 HydrophobicContact CB-CG2 4.4Å; N260-V262 PolarHBondContact O-N 2.68Å; N260-V262 WeakPolarHBondContact OD1-CB 3.36Å; N260-V262 PolarHBondContact OD1-N 3.49Å; N260-V262 VanDerWaalsContact OD1-N 3.09Å
261F88.3Confident94.8Very high95 Ų9559.5 Ų59.542%0.41735%0.348SS..  trans56.828.6-177.1-50.8-68.4000114.5W200 L256 S259W200-F261 HydrophobicContact CB-CB 4.38Å; W200-F261 HydrophobicContact CB-CD1 3.83Å; W200-F261 HydrophobicContact CD2-CB 4.3Å; W200-F261 AromaticContact CD2-CD1 3.77Å; W200-F261 HydrophobicContact CD2-CD1 3.77Å; W200-F261 AromaticContact CE3-CD1 3.63Å; W200-F261 HydrophobicContact CE3-CD1 3.63Å; W200-F261 HydrophobicContact CE3-CE1 4.16Å; W200-F261 HydrophobicContact CG-CB 4.03Å; W200-F261 AromaticContact CG-CD1 3.87Å; W200-F261 HydrophobicContact CG-CD1 3.87Å; W200-F261 HydrophobicContact CG-CG 4.46Å; W200-F261 HydrophobicContact CZ3-CD1 4.4Å; W200-F261 VanDerWaalsContact NE1-C 3.34Å; W200-F261 PolarHBondContact NE1-O 3.06Å; L256-F261 HydrophobicContact CD2-CE1 4.37Å; L256-F261 WeakPolarHBondContact O-CZ 3.48Å; S259-F261 VanDerWaalsContact C-N 3.26Å
262V85.7Confident94.8Very high102 Ų10263.9 Ų63.962%0.61836%0.362SS*.  trans-102136.5176.5-179.10000110.6N260N260-V262 HydrophobicContact CB-CG2 4.4Å; N260-V262 PolarHBondContact O-N 2.68Å; N260-V262 WeakPolarHBondContact OD1-CB 3.36Å; N260-V262 PolarHBondContact OD1-N 3.49Å; N260-V262 VanDerWaalsContact OD1-N 3.09Å
263G88.6Confident94.9Very high52 Ų5266.3 Ų66.354%0.53637%0.372SS..SBendtrans70.6-155.2173.500000113.3W200W200-G263 PolarHBondContact NE1-O 2.9Å
264T92.9Very high94.9Very high114 Ų11465.8 Ų65.870%0.69937%0.366SS*.  trans-87.5128.7-175.4-50.10000111.3Y267T264-Y267 HydrophobicContact CG2-CD2 4.45Å; T264-Y267 HydrophobicContact CG2-CE2 3.69Å
265P96.2Very high94.9Very high4 Ų464.4 Ų64.43%0.02635%0.353CS..  trans-55.4148.1170-23.830.8000112.5P199 W200 L203 Y267 L270P199-P265 HydrophobicContact CB-CG 3.94Å; P199-P265 HydrophobicContact CG-CG 4.23Å; W200-P265 HydrophobicContact CD2-CG 3.79Å; W200-P265 HydrophobicContact CE3-CB 4.49Å; W200-P265 HydrophobicContact CE3-CG 4.01Å; W200-P265 HydrophobicContact CG-CG 4.34Å; W200-P265 HydrophobicContact CH2-CB 4.13Å; W200-P265 HydrophobicContact CH2-CG 4.21Å; W200-P265 HydrophobicContact CZ2-CB 4.27Å; W200-P265 HydrophobicContact CZ2-CG 3.99Å; W200-P265 HydrophobicContact CZ3-CB 4.24Å; W200-P265 HydrophobicContact CZ3-CG 4.22Å; L203-P265 HydrophobicContact CD2-CB 4.03Å; L203-P265 HydrophobicContact CD2-CG 4.27Å; P265-Y267 VanDerWaalsContact C-N 3.34Å; P265-Y267 HydrophobicContact CB-CE1 4.14Å; P265-Y267 HydrophobicContact CB-CE2 4.47Å; P265-Y267 WeakPolarHBondContact CD-OH 3.46Å; P265-Y267 HydrophobicContact CG-CE1 4.41Å; P265-Y267 WeakPolarHBondContact O-CD2 3.28Å; P265-Y267 WeakPolarHBondContact O-CE2 3.23Å; P265-Y267 PolarHBondContact O-N 3.06Å; P265-L270 HydrophobicContact CB-CD1 4.43Å
266N97.2Very high95Very high78 Ų7864.8 Ų64.842%0.41736%0.357SS..  trans-82.580.2174.6-168.1-25.5000110.3Y255 R268 V269 L270Y255-N266 PolarHBondContact OH-N 3.23Å; N266-R268 PolarHBondContact O-N 3.33Å; N266-R268 PolarHBondContact OD1-N 2.83Å; N266-V269 HydrophobicContact CB-CB 4.23Å; N266-V269 HydrophobicContact CB-CG2 4.24Å; N266-V269 VanDerWaalsContact CG-CG2 3.47Å; N266-V269 WeakPolarHBondContact ND2-CG2 3.5Å; N266-V269 PolarHBondContact O-N 3.42Å; N266-V269 VanDerWaalsContact O-N 3.07Å; N266-V269 PolarHBondContact OD1-N 3.05Å; N266-L270 PolarHBondContact O-N 3.49Å
267Y98.2Very high95Very high18 Ų1864.5 Ų64.57%0.07136%0.356CS..Hα-helixtrans-55.7-32.9179.6-58.1-73.5000113.1I125 I128 M129 H132 P199 T264 P265 V269 L270 I271I125-Y267 HydrophobicContact CG2-CD1 4.1Å; I128-Y267 HydrophobicContact CD1-CE1 4.1Å; I128-Y267 HydrophobicContact CG1-CD1 4.45Å; I128-Y267 HydrophobicContact CG1-CE1 4.15Å; M129-Y267 HydrophobicContact CB-CD1 3.92Å; M129-Y267 HydrophobicContact CB-CD2 4.13Å; M129-Y267 HydrophobicContact CB-CE1 4.47Å; M129-Y267 HydrophobicContact CB-CG 3.76Å; M129-Y267 HydrophobicContact CG-CD1 4.4Å; M129-Y267 HydrophobicContact CG-CD2 3.74Å; M129-Y267 HydrophobicContact CG-CE2 4.44Å; M129-Y267 HydrophobicContact CG-CG 3.73Å; M129-Y267 HydrophobicContact SD-CD2 4.46Å; M129-Y267 HydrophobicContact SD-CG 4.22Å; H132-Y267 AromaticContact ND1-CZ 3.61Å; H132-Y267 PolarHBondContact ND1-OH 3.39Å; P199-Y267 VanDerWaalsContact CB-OH 3.29Å; P199-Y267 WeakPolarHBondContact CB-OH 3.09Å; T264-Y267 HydrophobicContact CG2-CD2 4.45Å; T264-Y267 HydrophobicContact CG2-CE2 3.69Å; P265-Y267 VanDerWaalsContact C-N 3.34Å; P265-Y267 HydrophobicContact CB-CE1 4.14Å; P265-Y267 HydrophobicContact CB-CE2 4.47Å; P265-Y267 WeakPolarHBondContact CD-OH 3.46Å; P265-Y267 HydrophobicContact CG-CE1 4.41Å; P265-Y267 WeakPolarHBondContact O-CD2 3.28Å; P265-Y267 WeakPolarHBondContact O-CE2 3.23Å; P265-Y267 PolarHBondContact O-N 3.06Å; Y267-V269 VanDerWaalsContact C-N 3.34Å; Y267-V269 PolarHBondContact O-N 3.02Å; Y267-L270 HydrophobicContact CD1-CD1 4.45Å; Y267-L270 PolarHBondContact O-N 3.07Å; Y267-I271 WeakPolarHBondContact O-CB 2.96Å; Y267-I271 VanDerWaalsContact O-CG1 3.26Å; Y267-I271 WeakPolarHBondContact O-CG1 3.36Å; Y267-I271 PolarHBondContact O-N 2.8Å
268R97.8Very high95.1Very high214 Ų21462 Ų6281%0.80833%0.326SS*.Hα-helixtrans-63.8-39.5178.1-67.1-176.9176.6175.5-0.5112.2N266 R272N266-R268 PolarHBondContact O-N 3.33Å; N266-R268 PolarHBondContact OD1-N 2.83Å; R268-R272 WeakPolarHBondContact O-CB 3.4Å; R268-R272 PolarHBondContact O-N 3.32Å
269V98.2Very high95.3Very high44 Ų4464.3 Ų64.327%0.26732%0.32SS..Hα-helixtrans-66.6-43.9174.9167.90000110.6Y255 N266 Y267 R272 Y273Y255-V269 HydrophobicContact CD2-CG1 4.43Å; N266-V269 HydrophobicContact CB-CB 4.23Å; N266-V269 HydrophobicContact CB-CG2 4.24Å; N266-V269 VanDerWaalsContact CG-CG2 3.47Å; N266-V269 WeakPolarHBondContact ND2-CG2 3.5Å; N266-V269 PolarHBondContact O-N 3.42Å; N266-V269 VanDerWaalsContact O-N 3.07Å; N266-V269 PolarHBondContact OD1-N 3.05Å; Y267-V269 VanDerWaalsContact C-N 3.34Å; Y267-V269 PolarHBondContact O-N 3.02Å; V269-R272 WeakPolarHBondContact O-CB 3.4Å; V269-R272 PolarHBondContact O-N 2.67Å; V269-Y273 HydrophobicContact CG1-CE1 3.82Å; V269-Y273 HydrophobicContact CG1-CE2 3.98Å; V269-Y273 VanDerWaalsContact CG1-CZ 3.45Å; V269-Y273 WeakPolarHBondContact CG1-OH 3.33Å; V269-Y273 PolarHBondContact O-N 3.05Å; V269-Y273 VanDerWaalsContact O-N 3.16Å
270L98.6Very high95.5Very high0 Ų066.6 Ų66.60%033%0.325CS..Hα-helixtrans-61.4-49.9178.2-68.9160.2000111.7I125 L203 M252 Y255 P265 N266 Y267 R272 Y273 F274I125-L270 HydrophobicContact CG2-CB 3.95Å; L203-L270 HydrophobicContact CD1-CD1 3.63Å; L203-L270 HydrophobicContact CD1-CD2 4.5Å; L203-L270 HydrophobicContact CD2-CD1 3.68Å; L203-L270 HydrophobicContact CG-CD1 4.33Å; M252-L270 HydrophobicContact CG-CD2 3.93Å; Y255-L270 HydrophobicContact CD1-CD2 3.74Å; Y255-L270 HydrophobicContact CD1-CG 4.31Å; Y255-L270 HydrophobicContact CE1-CD1 4.14Å; Y255-L270 HydrophobicContact CE1-CD2 4.13Å; Y255-L270 HydrophobicContact CE1-CG 4.23Å; Y255-L270 HydrophobicContact CG-CD2 4.22Å; P265-L270 HydrophobicContact CB-CD1 4.43Å; N266-L270 PolarHBondContact O-N 3.49Å; Y267-L270 HydrophobicContact CD1-CD1 4.45Å; Y267-L270 PolarHBondContact O-N 3.07Å; L270-R272 VanDerWaalsContact C-N 3.27Å; L270-R272 PolarHBondContact O-N 3.34Å; L270-Y273 HydrophobicContact CD2-CD2 4.5Å; L270-Y273 WeakPolarHBondContact O-CB 3.34Å; L270-Y273 PolarHBondContact O-N 3.35Å; L270-Y273 VanDerWaalsContact O-N 3.13Å; L270-F274 WeakPolarHBondContact O-CD2 3.39Å
271I98.6Very high95.9Very high18 Ų1861.1 Ų61.19%0.09230%0.296CS..Hα-helixtrans-55.8-43.4175-71.1166.4000110.6R122 I125 E126 M129 Y267 Y273 F274 D275R122-I271 HydrophobicContact CG-CG2 4.21Å; I125-I271 HydrophobicContact CB-CG1 4.17Å; I125-I271 HydrophobicContact CG2-CD1 4.34Å; I125-I271 HydrophobicContact CG2-CG1 3.69Å; E126-I271 HydrophobicContact CG-CD1 3.69Å; E126-I271 HydrophobicContact CG-CG1 4.21Å; M129-I271 HydrophobicContact CE-CD1 4.24Å; M129-I271 HydrophobicContact SD-CD1 4.16Å; Y267-I271 WeakPolarHBondContact O-CB 2.96Å; Y267-I271 VanDerWaalsContact O-CG1 3.26Å; Y267-I271 WeakPolarHBondContact O-CG1 3.36Å; Y267-I271 PolarHBondContact O-N 2.8Å; I271-Y273 VanDerWaalsContact C-N 3.29Å; I271-Y273 PolarHBondContact O-N 3.1Å; I271-F274 PolarHBondContact O-N 3.06Å; I271-F274 VanDerWaalsContact O-N 3.11Å; I271-D275 PolarHBondContact O-N 2.89Å
272R98.6Very high96.1Very high156 Ų15659.8 Ų59.859%0.58930%0.295SS*.Hα-helixtrans-60.3-35.6179.1-179.6176.4177174.63.4112.9R268 V269 L270 F274 D275 D276R268-R272 WeakPolarHBondContact O-CB 3.4Å; R268-R272 PolarHBondContact O-N 3.32Å; V269-R272 WeakPolarHBondContact O-CB 3.4Å; V269-R272 PolarHBondContact O-N 2.67Å; L270-R272 VanDerWaalsContact C-N 3.27Å; L270-R272 PolarHBondContact O-N 3.34Å; R272-F274 VanDerWaalsContact C-N 3.26Å; R272-F274 PolarHBondContact O-N 3.03Å; R272-D275 PolarHBondContact O-N 3.12Å; R272-D276 WeakPolarHBondContact CG-OD2 3.38Å; R272-D276 IonicContact NE-OD2 3.41Å; R272-D276 PolarHBondContact NE-OD2 3.39Å; R272-D276 VanDerWaalsContact O-CB 3.29Å; R272-D276 WeakPolarHBondContact O-CB 3.3Å; R272-D276 VanDerWaalsContact O-CG 3.26Å; R272-D276 PolarHBondContact O-N 3.04Å
273Y98.7Very high96.4Very high51 Ų5159.8 Ų59.820%0.230%0.3CS..Hα-helixtrans-59.3-40.2176.3-62.6-25.7000112.1K251 V269 L270 I271 E277K251-Y273 HydrophobicContact CB-CD1 4.04Å; K251-Y273 HydrophobicContact CB-CD2 3.66Å; K251-Y273 HydrophobicContact CB-CE1 4.21Å; K251-Y273 HydrophobicContact CB-CE2 3.85Å; K251-Y273 HydrophobicContact CB-CG 3.76Å; K251-Y273 HydrophobicContact CD-CD1 3.72Å; K251-Y273 HydrophobicContact CD-CE1 4.16Å; K251-Y273 HydrophobicContact CD-CG 4.06Å; K251-Y273 HydrophobicContact CG-CD1 4.47Å; V269-Y273 HydrophobicContact CG1-CE1 3.82Å; V269-Y273 HydrophobicContact CG1-CE2 3.98Å; V269-Y273 VanDerWaalsContact CG1-CZ 3.45Å; V269-Y273 WeakPolarHBondContact CG1-OH 3.33Å; V269-Y273 PolarHBondContact O-N 3.05Å; V269-Y273 VanDerWaalsContact O-N 3.16Å; L270-Y273 HydrophobicContact CD2-CD2 4.5Å; L270-Y273 WeakPolarHBondContact O-CB 3.34Å; L270-Y273 PolarHBondContact O-N 3.35Å; L270-Y273 VanDerWaalsContact O-N 3.13Å; I271-Y273 VanDerWaalsContact C-N 3.29Å; I271-Y273 PolarHBondContact O-N 3.1Å; Y273-E277 PolarHBondContact O-N 3.03Å
274F98.5Very high96.5Very high0 Ų063.1 Ų63.10%030%0.302CS..Hα-helixtrans-74.9-42.5177-61.7-77.4000111.9A118 R122 I125 L210 S248 M252 L270 I271 R272 D276 E277 V278A118-F274 WeakPolarHBondContact O-CB 3.17Å; R122-F274 HydrophobicContact CB-CB 3.78Å; R122-F274 HydrophobicContact CB-CG 4.39Å; R122-F274 HydrophobicContact CG-CB 4.49Å; I125-F274 HydrophobicContact CG1-CD2 4.33Å; I125-F274 HydrophobicContact CG1-CE2 3.76Å; L210-F274 HydrophobicContact CD1-CE1 3.97Å; L210-F274 HydrophobicContact CD1-CZ 3.58Å; S248-F274 WeakPolarHBondContact OG-CD1 3.42Å; S248-F274 VanDerWaalsContact OG-CE1 3.27Å; S248-F274 WeakPolarHBondContact OG-CE1 3.26Å; M252-F274 HydrophobicContact SD-CZ 4.2Å; L270-F274 WeakPolarHBondContact O-CD2 3.39Å; I271-F274 PolarHBondContact O-N 3.06Å; I271-F274 VanDerWaalsContact O-N 3.11Å; R272-F274 VanDerWaalsContact C-N 3.26Å; R272-F274 PolarHBondContact O-N 3.03Å; F274-D276 VanDerWaalsContact C-N 3.35Å; F274-D276 PolarHBondContact O-N 3.32Å; F274-E277 PolarHBondContact O-N 2.88Å; F274-V278 WeakPolarHBondContact O-CG2 3.29Å; F274-V278 PolarHBondContact O-N 3.38Å
275D98Very high96.1Very high48 Ų4860.5 Ų60.526%0.25730%0.297SS..Hα-helixtrans-60.8-41.7176.1-76.8-23.8000112.3R122 I271 R272 E277 V278 R279R122-D275 WeakPolarHBondContact CD-OD1 3.42Å; R122-D275 IonicContact NE-OD1 2.65Å; R122-D275 PolarHBondContact NE-OD1 3.24Å; I271-D275 PolarHBondContact O-N 2.89Å; R272-D275 PolarHBondContact O-N 3.12Å; D275-E277 VanDerWaalsContact C-N 3.33Å; D275-V278 PolarHBondContact O-N 3.3Å; D275-R279 WeakPolarHBondContact O-CG 3.43Å; D275-R279 PolarHBondContact O-N 2.8Å
276D98.1Very high95.4Very high44 Ų4464.4 Ų64.424%0.23532%0.317CS..Hα-helixtrans-62.5-41.3176.8-76.3-20.4000111.1R272 F274 R279 R280R272-D276 WeakPolarHBondContact CG-OD2 3.38Å; R272-D276 IonicContact NE-OD2 3.41Å; R272-D276 PolarHBondContact NE-OD2 3.39Å; R272-D276 VanDerWaalsContact O-CB 3.29Å; R272-D276 WeakPolarHBondContact O-CB 3.3Å; R272-D276 VanDerWaalsContact O-CG 3.26Å; R272-D276 PolarHBondContact O-N 3.04Å; F274-D276 VanDerWaalsContact C-N 3.35Å; F274-D276 PolarHBondContact O-N 3.32Å; D276-R279 PolarHBondContact O-N 2.99Å; D276-R279 IonicContact OD1-CZ 3.56Å; D276-R279 IonicContact OD1-NE 3.68Å; D276-R279 IonicContact OD1-NH2 2.64Å; D276-R279 PolarHBondContact OD1-NH2 3.04Å; D276-R280 WeakPolarHBondContact O-CB 3.5Å; D276-R280 PolarHBondContact O-N 3.18Å
277E97.7Very high94.4Very high1 Ų171.2 Ų71.21%0.00534%0.337CS..Hα-helixtrans-68.4-42.6176.5-177.8160.4-144.800112.5A118 E247 S248 Y273 F274 D275 R279 R280 L281A118-E277 HydrophobicContact CB-CB 4.15Å; A118-E277 HydrophobicContact CB-CG 3.97Å; E247-E277 PolarHBondContact N-OE1 2.86Å; S248-E277 WeakPolarHBondContact CA-OE2 3.38Å; S248-E277 WeakPolarHBondContact CB-OE2 3.4Å; S248-E277 PolarHBondContact N-OE2 3.17Å; S248-E277 PolarHBondContact OG-OE2 3.18Å; Y273-E277 PolarHBondContact O-N 3.03Å; F274-E277 PolarHBondContact O-N 2.88Å; D275-E277 VanDerWaalsContact C-N 3.33Å; E277-R279 VanDerWaalsContact C-N 3.31Å; E277-R279 PolarHBondContact O-N 3.28Å; E277-R280 PolarHBondContact O-N 3.11Å; E277-R280 IonicContact OE1-NH2 3.53Å; E277-L281 HydrophobicContact CG-CD1 3.64Å; E277-L281 HydrophobicContact CG-CG 4.19Å; E277-L281 WeakPolarHBondContact O-CB 3.25Å; E277-L281 WeakPolarHBondContact O-CG 3.42Å; E277-L281 PolarHBondContact O-N 3.46Å
278V96.1Very high92.9Very high18 Ų1872 Ų7211%0.10935%0.346CS..Hα-helixtrans-56.2-47.6173170.20000110.4I115 A118 Y119 F274 D275 L281 T282I115-V278 HydrophobicContact CD1-CB 4.35Å; I115-V278 HydrophobicContact CD1-CG1 4.22Å; I115-V278 HydrophobicContact CD1-CG2 4.27Å; A118-V278 HydrophobicContact CB-CG2 3.56Å; Y119-V278 HydrophobicContact CD1-CG2 4.39Å; Y119-V278 HydrophobicContact CD2-CG2 4.36Å; Y119-V278 HydrophobicContact CE1-CG1 4.09Å; Y119-V278 HydrophobicContact CE1-CG2 4.44Å; Y119-V278 HydrophobicContact CE2-CG1 4.13Å; Y119-V278 HydrophobicContact CE2-CG2 4.4Å; Y119-V278 HydrophobicContact CG-CG2 4.35Å; F274-V278 WeakPolarHBondContact O-CG2 3.29Å; F274-V278 PolarHBondContact O-N 3.38Å; D275-V278 PolarHBondContact O-N 3.3Å; V278-L281 PolarHBondContact O-N 3.14Å; V278-T282 VanDerWaalsContact O-CB 3.25Å; V278-T282 WeakPolarHBondContact O-CB 2.99Å; V278-T282 PolarHBondContact O-N 3.19Å; V278-T282 PolarHBondContact O-OG1 3.11Å
279R96.1Very high91.4Very high148 Ų14863.3 Ų63.356%0.55832%0.317SS*.Hα-helixtrans-60.6-46.8178.1-77.4-170.5-76.8-119.21.2112D275 D276 E277 T282 S283D275-R279 WeakPolarHBondContact O-CG 3.43Å; D275-R279 PolarHBondContact O-N 2.8Å; D276-R279 PolarHBondContact O-N 2.99Å; D276-R279 IonicContact OD1-CZ 3.56Å; D276-R279 IonicContact OD1-NE 3.68Å; D276-R279 IonicContact OD1-NH2 2.64Å; D276-R279 PolarHBondContact OD1-NH2 3.04Å; E277-R279 VanDerWaalsContact C-N 3.31Å; E277-R279 PolarHBondContact O-N 3.28Å; R279-T282 PolarHBondContact O-N 2.7Å; R279-S283 PolarHBondContact O-N 2.96Å; R279-S283 PolarHBondContact O-OG 3.5Å
280R96.2Very high89.6Confident70 Ų7062.7 Ų62.726%0.26431%0.312SS..Hα-helixtrans-61.8-45.3-180-173.7-175.361.763-1.4112E247 D276 E277 S283 Q284E247-R280 IonicContact OE2-CZ 3.74Å; E247-R280 IonicContact OE2-NE 2.89Å; E247-R280 PolarHBondContact OE2-NE 3.42Å; E247-R280 IonicContact OE2-NH2 3.78Å; D276-R280 WeakPolarHBondContact O-CB 3.5Å; D276-R280 PolarHBondContact O-N 3.18Å; E277-R280 PolarHBondContact O-N 3.11Å; E277-R280 IonicContact OE1-NH2 3.53Å; R280-S283 PolarHBondContact O-OG 3.45Å; R280-Q284 VanDerWaalsContact O-CG 3.31Å; R280-Q284 WeakPolarHBondContact O-CG 3.39Å; R280-Q284 PolarHBondContact O-N 2.6Å
281L95.4Very high87.2Confident8 Ų866.4 Ų66.44%0.04234%0.343CS..Hα-helixtrans-73.6-35.3-178.6-67.4171.7000111.7P114 I115 E277 V278 Q284 G285 L286P114-L281 HydrophobicContact CB-CD1 3.72Å; I115-L281 HydrophobicContact CB-CB 4.49Å; I115-L281 HydrophobicContact CB-CD1 3.98Å; I115-L281 HydrophobicContact CD1-CB 3.95Å; I115-L281 HydrophobicContact CD1-CD1 4.27Å; E277-L281 HydrophobicContact CG-CD1 3.64Å; E277-L281 HydrophobicContact CG-CG 4.19Å; E277-L281 WeakPolarHBondContact O-CB 3.25Å; E277-L281 WeakPolarHBondContact O-CG 3.42Å; E277-L281 PolarHBondContact O-N 3.46Å; V278-L281 PolarHBondContact O-N 3.14Å; L281-Q284 WeakPolarHBondContact O-CB 3.41Å; L281-Q284 PolarHBondContact O-N 3.42Å; L281-G285 PolarHBondContact O-N 3.16Å; L281-L286 HydrophobicContact CB-CB 4.46Å; L281-L286 HydrophobicContact CB-CD1 4.16Å; L281-L286 HydrophobicContact CD2-CD1 3.77Å; L281-L286 HydrophobicContact CG-CD1 4.49Å; L281-L286 WeakPolarHBondContact O-CB 3.34Å; L281-L286 PolarHBondContact O-N 2.86Å
282T92.8Very high84.6Confident67 Ų6773.8 Ų73.841%0.41138%0.376SS..Hα-helixtrans-65.7-39.3176.2-57.20000111.9V278 R279 Q284 G285 L286V278-T282 VanDerWaalsContact O-CB 3.25Å; V278-T282 WeakPolarHBondContact O-CB 2.99Å; V278-T282 PolarHBondContact O-N 3.19Å; V278-T282 PolarHBondContact O-OG1 3.11Å; R279-T282 PolarHBondContact O-N 2.7Å; T282-Q284 PolarHBondContact O-N 3.49Å; T282-G285 PolarHBondContact O-N 3.12Å; T282-L286 WeakPolarHBondContact CA-O 3.42Å
283S91Very high81.6Confident102 Ų10269.5 Ų69.571%0.71338%0.381SS*.Hα-helixtrans-67.6-21.9175.469.40000113.2R279 R280 G285R279-S283 PolarHBondContact O-N 2.96Å; R279-S283 PolarHBondContact O-OG 3.5Å; R280-S283 PolarHBondContact O-OG 3.45Å; S283-G285 PolarHBondContact O-N 3.45Å
284Q90.9Very high78.2Confident123 Ų12376.7 Ų76.758%0.57541%0.413SS*.THydrogen-bonded Turntrans-82.53.9172-66.1172.1-6.100113.1R280 L281 T282R280-Q284 VanDerWaalsContact O-CG 3.31Å; R280-Q284 WeakPolarHBondContact O-CG 3.39Å; R280-Q284 PolarHBondContact O-N 2.6Å; L281-Q284 WeakPolarHBondContact O-CB 3.41Å; L281-Q284 PolarHBondContact O-N 3.42Å; T282-Q284 PolarHBondContact O-N 3.49Å
285G85.5Confident74.7Confident59 Ų5986.1 Ų86.161%0.60846%0.46SS*.THydrogen-bonded Turntrans89.11.417700000115.1L281 T282 S283 R287L281-G285 PolarHBondContact O-N 3.16Å; T282-G285 PolarHBondContact O-N 3.12Å; S283-G285 PolarHBondContact O-N 3.45Å; G285-R287 PolarHBondContact O-N 2.85Å
286L81.6Confident71.7Confident85 Ų8589.4 Ų89.445%0.44549%0.486SS..  trans-76113.7173.1-64.1169.3000109.2L281 T282L281-L286 HydrophobicContact CB-CB 4.46Å; L281-L286 HydrophobicContact CB-CD1 4.16Å; L281-L286 HydrophobicContact CD2-CD1 3.77Å; L281-L286 HydrophobicContact CG-CD1 4.49Å; L281-L286 WeakPolarHBondContact O-CB 3.34Å; L281-L286 PolarHBondContact O-N 2.86Å; T282-L286 WeakPolarHBondContact CA-O 3.42Å
287R75.7Confident68.4Low221 Ų22195.8 Ų95.883%0.83455%0.545SS*.  trans-81.1161.1178.7-67.7-172177.9-154.3-0.2111.7G285G285-R287 PolarHBondContact O-N 2.85Å
288S67.1Low67Low36 Ų36100.5 Ų100.525%0.25257%0.572SS.*  trans-52.5125.8172.2176.50000110.6L290 A291S288-L290 PolarHBondContact O-N 2.87Å; S288-L290 VanDerWaalsContact O-N 3.15Å; S288-L290 WeakPolarHBondContact OG-CB 3.16Å; S288-L290 PolarHBondContact OG-N 3.46Å; S288-A291 PolarHBondContact O-N 3.46Å
289P65.1Low65.4Low30 Ų30104.8 Ų104.820%0.19560%0.596CS.*THydrogen-bonded Turntrans-66.3-13.2175.128-32.4000111.6I115 K116 Y119 A291 H292I115-P289 HydrophobicContact CG2-CG 4.38Å; K116-P289 HydrophobicContact CB-CB 4.35Å; K116-P289 HydrophobicContact CB-CG 3.69Å; K116-P289 HydrophobicContact CD-CB 4.16Å; K116-P289 HydrophobicContact CD-CG 4.16Å; K116-P289 HydrophobicContact CG-CB 4.42Å; K116-P289 HydrophobicContact CG-CG 3.88Å; Y119-P289 HydrophobicContact CD2-CG 4.46Å; P289-A291 VanDerWaalsContact C-N 3.27Å; P289-A291 PolarHBondContact O-N 3.39Å; P289-H292 PolarHBondContact O-CE1 3.19Å; P289-H292 PolarHBondContact O-ND1 3.32Å
290L61.7Low63.7Low32 Ų32102.4 Ų102.417%0.16860%0.598CS.*THydrogen-bonded Turntrans-83.3-3.8-176.2-50.3171.4000112.6Y119 F120 D157 S288 H292Y119-L290 HydrophobicContact CD1-CD1 4.3Å; Y119-L290 HydrophobicContact CG-CD1 4.19Å; F120-L290 HydrophobicContact CE1-CD1 4.41Å; F120-L290 HydrophobicContact CE1-CD2 3.72Å; F120-L290 HydrophobicContact CZ-CD2 3.76Å; D157-L290 HydrophobicContact CB-CB 3.51Å; D157-L290 HydrophobicContact CB-CD1 3.6Å; D157-L290 HydrophobicContact CB-CD2 4.26Å; D157-L290 HydrophobicContact CB-CG 3.93Å; S288-L290 PolarHBondContact O-N 2.87Å; S288-L290 VanDerWaalsContact O-N 3.15Å; S288-L290 WeakPolarHBondContact OG-CB 3.16Å; S288-L290 PolarHBondContact OG-N 3.46Å; L290-H292 PolarHBondContact O-N 3.2Å
291A48.4Very low61.8Low78 Ų78104.4 Ų104.465%0.64562%0.618SS**  trans-74.824.1175.700000114.4S288 P289 G293S288-A291 PolarHBondContact O-N 3.46Å; P289-A291 VanDerWaalsContact C-N 3.27Å; P289-A291 PolarHBondContact O-N 3.39Å; A291-G293 PolarHBondContact O-N 3.38Å
292H42.9Very low59.7Low173 Ų173110.4 Ų110.480%0.80165%0.654SS**  trans-79.277.1172.7-73.867.3000109.5P289 L290P289-H292 PolarHBondContact O-CE1 3.19Å; P289-H292 PolarHBondContact O-ND1 3.32Å; L290-H292 PolarHBondContact O-N 3.2Å
293G35.6Very low57.5Low66 Ų66113.3 Ų113.368%0.6867%0.67SS**SBendtrans-159.316.1-178.500000116A291A291-G293 PolarHBondContact O-N 3.38Å
294K27.3Very low55.1Low202 Ų202114.1 Ų114.188%0.87867%0.667SS**  trans-154.772.1164-69.3-163.4-179-179.80111.6
295M25.8Very low52.4Low198 Ų198113.4 Ų113.498%0.97567%0.674SS**  trans-141.578.2155.7-78.9-151.1-60.200109.7
296S33.7Very low49.6Very low116 Ų116117.9 Ų117.981%0.81168%0.68SS**  trans-148.8115.6148590000106.1
297A30.3Very low46.7Very low178 Ų178120.9 Ų120.9100%1.47170%0.701SS**  trans-64.80170.700000111.1

Retrieved 297 of 297 residues in 346.6 ms (Link to these results)

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