A0A3Q0KND8_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KND8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 841 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
1M40.3Very low40.9Very low133 Ų13367.7 Ų67.766%0.65536%0.361SS*.  087.10-86.7-161.8140.300112.1L20 Q21 E22M1-L20 CarbonylContact C-O 3.52Å; M1-L20 WeakPolarHBondContact CA-O 3.4Å; M1-L20 PolarHBondContact N-O 3.18Å; M1-Q21 HydrophobicContact CB-CB 3.81Å; M1-Q21 HydrophobicContact CB-CG 3.44Å; M1-Q21 VanDerWaalsContact CB-CG 3.44Å; M1-Q21 HydrophobicContact CE-CG 3.86Å; M1-Q21 HydrophobicContact CG-CB 3.99Å; M1-Q21 HydrophobicContact CG-CG 3.53Å; M1-Q21 PolarHBondContact O-OE1 3.38Å; M1-Q21 HydrophobicContact SD-CG 3.79Å; M1-E22 HydrophobicContact CE-CB 3.77Å; M1-E22 HydrophobicContact CE-CG 3.79Å; M1-E22 HydrophobicContact CG-CG 4.22Å
2S39.4Very low42.5Very low16 Ų1665.8 Ų65.811%0.11235%0.351CS..  trans176.295149.734.10000119.9P7 I8 V10 T19 L20 Q21S2-P7 CarbonylContact C-O 3.55Å; S2-P7 WeakPolarHBondContact CA-O 3.23Å; S2-I8 CarbonylContact C-O 3.6Å; S2-I8 WeakPolarHBondContact CA-O 3.37Å; S2-I8 WeakPolarHBondContact CB-O 3.39Å; S2-V10 PolarHBondContact O-N 3.38Å; S2-V10 WeakPolarHBondContact OG-CB 3.42Å; S2-V10 WeakPolarHBondContact OG-CG2 3.44Å; S2-T19 CarbonylContact C-O 3.48Å; S2-T19 CarbonylContact O-C 3.36Å; S2-T19 PolarHBondContact O-OG1 3.5Å; S2-T19 PolarHBondContact OG-OG1 3.45Å; S2-L20 PolarHBondContact N-O 3.43Å; S2-Q21 VanDerWaalsContact CA-OE1 3.31Å; S2-Q21 VanDerWaalsContact N-N 3.13Å
3R29.3Very low43.2Very low53 Ų5378.5 Ų78.520%0.239%0.39CS..SBendtrans-139.4108.3159.7-152.9174.4145.5-124.8-1.3115.2P7 I8 L9 T19 L20 N29R3-P7 CarbonylContact C-O 3.58Å; R3-P7 WeakPolarHBondContact CA-O 3.18Å; R3-P7 HydrophobicContact CB-CG 4.5Å; R3-P7 PolarHBondContact N-O 3.22Å; R3-P7 CarbonylContact O-C 3.13Å; R3-P7 WeakPolarHBondContact O-CA 3.3Å; R3-P7 WeakPolarHBondContact O-CB 3.49Å; R3-P7 WeakPolarHBondContact O-CD 3.39Å; R3-P7 WeakPolarHBondContact O-CG 3.48Å; R3-P7 VanDerWaalsContact O-O 3.1Å; R3-I8 VanDerWaalsContact C-C 3.46Å; R3-I8 CarbonylContact C-O 3.55Å; R3-I8 WeakPolarHBondContact CA-O 3.34Å; R3-I8 PolarHBondContact N-O 3.19Å; R3-I8 PolarHBondContact O-N 3.32Å; R3-L9 HydrophobicContact CB-CD1 4.4Å; R3-L9 HydrophobicContact CG-CD1 3.86Å; R3-T19 VanDerWaalsContact CB-O 3.22Å; R3-T19 WeakPolarHBondContact CB-O 3.46Å; R3-L20 HydrophobicContact CB-CB 4.17Å; R3-L20 HydrophobicContact CB-CD1 4.48Å; R3-L20 HydrophobicContact CB-CG 4Å; R3-N29 PolarHBondContact NH1-O 3.12Å; R3-N29 PolarHBondContact NH2-O 2.6Å
4S31.5Very low44.5Very low50 Ų5087.3 Ų87.335%0.3543%0.425SS..SBendtrans48.6115.1176540000119.1G6 P7 I8S4-G6 CarbonylContact O-C 3.56Å; S4-G6 VanDerWaalsContact O-C 3.23Å; S4-G6 PolarHBondContact O-N 3.1Å; S4-P7 CarbonylContact O-C 3.54Å; S4-P7 VanDerWaalsContact O-C 3.26Å; S4-P7 WeakPolarHBondContact O-CA 3.49Å; S4-P7 WeakPolarHBondContact O-CD 3.46Å; S4-I8 VanDerWaalsContact C-CA 3.43Å; S4-I8 PolarHBondContact O-N 3.05Å
5P48.9Very low45.8Very low111 Ų11191.7 Ų91.772%0.72144%0.441SS*.SBendtrans-28.5112.7-159.1-38.638.5000118.5I8P5-I8 VanDerWaalsContact C-N 3.34Å; P5-I8 VanDerWaalsContact N-CA 3.26Å
6G35.6Very low45.9Very low8 Ų899.4 Ų99.48%0.08247%0.465CS..SBendtrans53.861-161.500000109.6S4 D23S4-G6 CarbonylContact O-C 3.56Å; S4-G6 VanDerWaalsContact O-C 3.23Å; S4-G6 PolarHBondContact O-N 3.1Å; G6-D23 WeakPolarHBondContact CA-OD2 3.44Å
7P40Very low45.9Very low6 Ų6102.4 Ų102.44%0.03948%0.475CS..SBendcis-107.242.820.227.2-16.1000125.1S2 R3 S4 L20 Q21 T26S2-P7 CarbonylContact C-O 3.55Å; S2-P7 WeakPolarHBondContact CA-O 3.23Å; R3-P7 CarbonylContact C-O 3.58Å; R3-P7 WeakPolarHBondContact CA-O 3.18Å; R3-P7 HydrophobicContact CB-CG 4.5Å; R3-P7 PolarHBondContact N-O 3.22Å; R3-P7 CarbonylContact O-C 3.13Å; R3-P7 WeakPolarHBondContact O-CA 3.3Å; R3-P7 WeakPolarHBondContact O-CB 3.49Å; R3-P7 WeakPolarHBondContact O-CD 3.39Å; R3-P7 WeakPolarHBondContact O-CG 3.48Å; R3-P7 VanDerWaalsContact O-O 3.1Å; S4-P7 CarbonylContact O-C 3.54Å; S4-P7 VanDerWaalsContact O-C 3.26Å; S4-P7 WeakPolarHBondContact O-CA 3.49Å; S4-P7 WeakPolarHBondContact O-CD 3.46Å; P7-L20 HydrophobicContact CB-CD2 4.48Å; P7-L20 HydrophobicContact CG-CD2 4.21Å; P7-L20 HydrophobicContact CG-CG 4.27Å; P7-Q21 HydrophobicContact CB-CB 3.56Å; P7-Q21 WeakPolarHBondContact CB-O 3.42Å; P7-Q21 WeakPolarHBondContact O-CB 3.26Å; P7-T26 HydrophobicContact CG-CG2 4.39Å
8I40.6Very low45.8Very low79 Ų79101.4 Ų101.441%0.40548%0.481SS..  trans51109.7169.5-39-179.5000118.5S2 R3 S4 P5 Q21S2-I8 CarbonylContact C-O 3.6Å; S2-I8 WeakPolarHBondContact CA-O 3.37Å; S2-I8 WeakPolarHBondContact CB-O 3.39Å; R3-I8 VanDerWaalsContact C-C 3.46Å; R3-I8 CarbonylContact C-O 3.55Å; R3-I8 WeakPolarHBondContact CA-O 3.34Å; R3-I8 PolarHBondContact N-O 3.19Å; R3-I8 PolarHBondContact O-N 3.32Å; S4-I8 VanDerWaalsContact C-CA 3.43Å; S4-I8 PolarHBondContact O-N 3.05Å; P5-I8 VanDerWaalsContact C-N 3.34Å; P5-I8 VanDerWaalsContact N-CA 3.26Å; I8-Q21 HydrophobicContact CD1-CG 4.46Å; I8-Q21 HydrophobicContact CG1-CG 4.48Å
9L48.6Very low46Very low105 Ų10599.9 Ų99.955%0.5548%0.479SS..  trans-79.9127.5-163.3-172.257.7000117.1R3R3-L9 HydrophobicContact CB-CD1 4.4Å; R3-L9 HydrophobicContact CG-CD1 3.86Å
10V48.1Very low46.3Very low61 Ų6196.6 Ų96.637%0.3746%0.464SS..  trans-131.197164.9178.50000112.6S2 C18 T19S2-V10 PolarHBondContact O-N 3.38Å; S2-V10 WeakPolarHBondContact OG-CB 3.42Å; S2-V10 WeakPolarHBondContact OG-CG2 3.44Å; V10-C18 WeakPolarHBondContact O-CA 3.42Å; V10-T19 PolarHBondContact O-N 3.41Å
11Y48.1Very low46.7Very low123 Ų12393.9 Ų93.948%0.48245%0.451SS..EExtended strand (participates in β ladder)trans-80.6112.9149.6177.1-99.2000108.4R13Y11-R13 HydrophobicContact CD1-CG 4.02Å; Y11-R13 HydrophobicContact CE1-CG 3.9Å; Y11-R13 PolarHBondContact O-N 3.48Å; Y11-R13 VanDerWaalsContact O-N 3.11Å
12D59.6Low46.9Very low45 Ų4592.3 Ų92.324%0.24144%0.442CS..EExtended strand (participates in β ladder)trans-75.2100.3175.6-175.7-26.9000109.4K14 K15 R16 K17D12-K14 PolarHBondContact O-N 3.29Å; D12-K14 WeakPolarHBondContact OD1-CA 3.44Å; D12-K14 WeakPolarHBondContact OD1-CB 3.43Å; D12-K14 PolarHBondContact OD1-N 3.45Å; D12-K15 HydrophobicContact CB-CB 4.16Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-K15 PolarHBondContact OD1-N 3.25Å; D12-K15 WeakPolarHBondContact OD2-CD 3.28Å; D12-K15 WeakPolarHBondContact OD2-CE 3.34Å; D12-K15 VanDerWaalsContact OD2-CG 3.23Å; D12-K15 WeakPolarHBondContact OD2-CG 3.2Å; D12-K15 IonicContact OD2-NZ 3.75Å; D12-R16 PolarHBondContact O-N 3.25Å; D12-K17 PolarHBondContact N-O 3.4Å
13R52Low47.3Very low230 Ų23095.9 Ų95.987%0.86846%0.46SS*.THydrogen-bonded Turntrans-59.1-22.5178.5-103.9-175.7175.9176.2-1114.1Y11Y11-R13 HydrophobicContact CD1-CG 4.02Å; Y11-R13 HydrophobicContact CE1-CG 3.9Å; Y11-R13 PolarHBondContact O-N 3.48Å; Y11-R13 VanDerWaalsContact O-N 3.11Å
14K61.6Low48.1Very low202 Ų20298.4 Ų98.488%0.87848%0.477SS*.THydrogen-bonded Turntrans-87.7-36.1176.8-70.9-175.1176.6-178.60112.1D12D12-K14 PolarHBondContact O-N 3.29Å; D12-K14 WeakPolarHBondContact OD1-CA 3.44Å; D12-K14 WeakPolarHBondContact OD1-CB 3.43Å; D12-K14 PolarHBondContact OD1-N 3.45Å
15K64.2Low49.1Very low154 Ų154102.6 Ų102.667%0.6749%0.491SS*.THydrogen-bonded Turntrans-98.6-9.9-175.5-62.2-177.8-163.9160.90115.8D12 K17D12-K15 HydrophobicContact CB-CB 4.16Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-K15 PolarHBondContact OD1-N 3.25Å; D12-K15 WeakPolarHBondContact OD2-CD 3.28Å; D12-K15 WeakPolarHBondContact OD2-CE 3.34Å; D12-K15 VanDerWaalsContact OD2-CG 3.23Å; D12-K15 WeakPolarHBondContact OD2-CG 3.2Å; D12-K15 IonicContact OD2-NZ 3.75Å; K15-K17 VanDerWaalsContact C-N 3.3Å; K15-K17 HydrophobicContact CB-CB 4.49Å; K15-K17 PolarHBondContact O-N 2.86Å
16R46.2Very low49.2Very low215 Ų21597.8 Ų97.881%0.81146%0.46SS*.THydrogen-bonded Turntrans55.540.2-171.6-61178.4165-176.8-5.2112.8D12D12-R16 PolarHBondContact O-N 3.25Å
17K46.7Very low49.9Very low149 Ų14997.6 Ų97.665%0.64846%0.458SS*.EExtended strand (participates in β ladder)trans-125.5160.3178.8-88.7-165.7170.8-166.80112.6D12 K15D12-K17 PolarHBondContact N-O 3.4Å; K15-K17 VanDerWaalsContact C-N 3.3Å; K15-K17 HydrophobicContact CB-CB 4.49Å; K15-K17 PolarHBondContact O-N 2.86Å
18C43.9Very low50.1Low86 Ų86106.7 Ų106.758%0.58149%0.491SS*.EExtended strand (participates in β ladder)trans-122.3156175.7-62.50000111.2V10V10-C18 WeakPolarHBondContact O-CA 3.42Å
19T49.4Very low50.6Low73 Ų73106.1 Ų106.145%0.44849%0.489SS..  trans-134.3-171.7174.956.30000112S2 R3 V10S2-T19 CarbonylContact C-O 3.48Å; S2-T19 CarbonylContact O-C 3.36Å; S2-T19 PolarHBondContact O-OG1 3.5Å; S2-T19 PolarHBondContact OG-OG1 3.45Å; R3-T19 VanDerWaalsContact CB-O 3.22Å; R3-T19 WeakPolarHBondContact CB-O 3.46Å; V10-T19 PolarHBondContact O-N 3.41Å
20L52.7Low50.9Low32 Ų32101.4 Ų101.417%0.16847%0.465CS..  trans-149.9139.1-177.4-160.8149.1000112.6M1 S2 R3 P7 L30 L52 F55M1-L20 CarbonylContact C-O 3.52Å; M1-L20 WeakPolarHBondContact CA-O 3.4Å; M1-L20 PolarHBondContact N-O 3.18Å; S2-L20 PolarHBondContact N-O 3.43Å; R3-L20 HydrophobicContact CB-CB 4.17Å; R3-L20 HydrophobicContact CB-CD1 4.48Å; R3-L20 HydrophobicContact CB-CG 4Å; P7-L20 HydrophobicContact CB-CD2 4.48Å; P7-L20 HydrophobicContact CG-CD2 4.21Å; P7-L20 HydrophobicContact CG-CG 4.27Å; L20-L30 HydrophobicContact CD1-CD1 3.77Å; L20-L52 HydrophobicContact CD1-CD2 4.1Å; L20-L52 HydrophobicContact CD2-CD2 4.16Å; L20-F55 HydrophobicContact CD2-CZ 4.2Å
21Q53.2Low51Low41 Ų4199.1 Ų99.119%0.19245%0.451CS..  trans-114.4-174.8-176.9-157.3131.9800111.4M1 S2 P7 I8M1-Q21 HydrophobicContact CB-CB 3.81Å; M1-Q21 HydrophobicContact CB-CG 3.44Å; M1-Q21 VanDerWaalsContact CB-CG 3.44Å; M1-Q21 HydrophobicContact CE-CG 3.86Å; M1-Q21 HydrophobicContact CG-CB 3.99Å; M1-Q21 HydrophobicContact CG-CG 3.53Å; M1-Q21 PolarHBondContact O-OE1 3.38Å; M1-Q21 HydrophobicContact SD-CG 3.79Å; S2-Q21 VanDerWaalsContact CA-OE1 3.31Å; S2-Q21 VanDerWaalsContact N-N 3.13Å; P7-Q21 HydrophobicContact CB-CB 3.56Å; P7-Q21 WeakPolarHBondContact CB-O 3.42Å; P7-Q21 WeakPolarHBondContact O-CB 3.26Å; I8-Q21 HydrophobicContact CD1-CG 4.46Å; I8-Q21 HydrophobicContact CG1-CG 4.48Å
22E46.1Very low51Low99 Ų9998.6 Ų98.646%0.46345%0.448SS..  trans-134.2116-172.6-33.1-162.1178.200108.9M1 F55M1-E22 HydrophobicContact CE-CB 3.77Å; M1-E22 HydrophobicContact CE-CG 3.79Å; M1-E22 HydrophobicContact CG-CG 4.22Å; E22-F55 HydrophobicContact CB-CE1 3.8Å; E22-F55 HydrophobicContact CG-CD1 4.46Å; E22-F55 HydrophobicContact CG-CE1 3.36Å; E22-F55 HydrophobicContact CG-CZ 3.61Å; E22-F55 WeakPolarHBondContact OE1-CZ 3.49Å
23D46.7Very low51.1Low92 Ų9298.6 Ų98.649%0.49245%0.448SS..SBendtrans-142.1178.3149.4-65.9-62.5000105.9G6 E25 T26G6-D23 WeakPolarHBondContact CA-OD2 3.44Å; D23-E25 PolarHBondContact O-N 2.81Å; D23-T26 PolarHBondContact O-OG1 3.03Å
24D46.3Very low51.4Low106 Ų10688 Ų8857%0.56741%0.409SS*.THydrogen-bonded Turntrans-61.8-7.2-160.6-69.82.9000117.7T26 R57D24-T26 PolarHBondContact O-N 3.21Å; D24-R57 VanDerWaalsContact CG-NH2 3.31Å; D24-R57 IonicContact OD1-CZ 3.39Å; D24-R57 IonicContact OD1-NH1 2.68Å; D24-R57 PolarHBondContact OD1-NH1 3.08Å; D24-R57 IonicContact OD1-NH2 3.78Å; D24-R57 IonicContact OD2-CZ 3.85Å; D24-R57 IonicContact OD2-NH1 2.7Å; D24-R57 PolarHBondContact OD2-NH1 3.37Å; D24-R57 VanDerWaalsContact OD2-NH1 3.09Å; D24-R57 IonicContact OD2-NH2 2.9Å; D24-R57 PolarHBondContact OD2-NH2 3.07Å
25E51.9Low51Low137 Ų13781.2 Ų81.264%0.6438%0.38SS*.THydrogen-bonded Turntrans-92.59.1-168.9-148.3175.2-13500114.8D23 G27D23-E25 PolarHBondContact O-N 2.81Å; E25-G27 PolarHBondContact O-N 2.69Å
26T51.6Low50.7Low11 Ų1178.4 Ų78.47%0.06737%0.372CS..THydrogen-bonded Turntrans-65.7-42.5-152.515.50000115.6P7 D23 D24 R28 F55 F58P7-T26 HydrophobicContact CG-CG2 4.39Å; D23-T26 PolarHBondContact O-OG1 3.03Å; D24-T26 PolarHBondContact O-N 3.21Å; T26-R28 PolarHBondContact O-N 3.24Å; T26-F55 HydrophobicContact CG2-CD1 4.15Å; T26-F55 HydrophobicContact CG2-CE1 3.95Å; T26-F58 VanDerWaalsContact C-CZ 3.47Å; T26-F58 VanDerWaalsContact CB-CE2 3.44Å; T26-F58 HydrophobicContact CG2-CD2 4.31Å; T26-F58 HydrophobicContact CG2-CE2 3.81Å; T26-F58 WeakPolarHBondContact O-CE1 3.33Å; T26-F58 WeakPolarHBondContact O-CZ 3.37Å
27G50Low51.4Low4 Ų469.1 Ų69.14%0.04134%0.338CS..THydrogen-bonded Turntrans-56.3-47.7-166.700000117.6E25 L30 F58 C61E25-G27 PolarHBondContact O-N 2.69Å; G27-L30 PolarHBondContact O-N 3.18Å; G27-F58 VanDerWaalsContact O-CE1 3.32Å; G27-F58 WeakPolarHBondContact O-CE1 3.37Å; G27-C61 WeakPolarHBondContact CA-SG 3.14Å; G27-C61 WeakPolarHBondContact O-CB 2.98Å
28R44.2Very low52Low196 Ų19669 Ų6974%0.7433%0.333SS*.Hα-helixtrans-75.6-34.9-162.6-65.1-179.3-170.9168.86.3113.1T26 L30 S31 C61T26-R28 PolarHBondContact O-N 3.24Å; R28-L30 PolarHBondContact O-N 3.13Å; R28-S31 PolarHBondContact O-N 3.33Å; R28-C61 HydrophobicContact CG-CB 4.5Å; R28-C61 WeakPolarHBondContact CG-SG 3.23Å; R28-C61 PolarHBondContact N-SG 2.97Å
29N52.3Low52.3Low67 Ų6769.5 Ų69.536%0.35833%0.334SS..Hα-helixtrans-73.25.8-177.4-71.1-31.3000113.5R3R3-N29 PolarHBondContact NH1-O 3.12Å; R3-N29 PolarHBondContact NH2-O 2.6Å
30L53.3Low53Low6 Ų674.8 Ų74.83%0.03135%0.347CS..Hα-helixtrans-116.6-35.5177.6-148.687.3000113.7L20 G27 R28 R32 L33 L34 L48 L52 F58L20-L30 HydrophobicContact CD1-CD1 3.77Å; G27-L30 PolarHBondContact O-N 3.18Å; R28-L30 PolarHBondContact O-N 3.13Å; L30-R32 PolarHBondContact O-N 3.4Å; L30-L33 CarbonylContact O-C 3.51Å; L30-L33 WeakPolarHBondContact O-CA 3.28Å; L30-L33 PolarHBondContact O-N 3.36Å; L30-L34 HydrophobicContact CD2-CD1 3.88Å; L30-L34 HydrophobicContact CD2-CG 4.29Å; L30-L34 HydrophobicContact CG-CD1 4.37Å; L30-L34 HydrophobicContact CG-CG 4.35Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.38Å; L30-L34 PolarHBondContact O-N 3Å; L30-L48 HydrophobicContact CD1-CD2 3.72Å; L30-L48 HydrophobicContact CD2-CD2 4.24Å; L30-L48 HydrophobicContact CG-CD2 3.75Å; L30-L52 HydrophobicContact CD1-CD1 3.45Å; L30-L52 VanDerWaalsContact CD1-CD1 3.45Å; L30-L52 HydrophobicContact CD1-CD2 3.72Å; L30-L52 HydrophobicContact CD1-CG 4.11Å; L30-L52 HydrophobicContact CD2-CB 3.56Å; L30-L52 HydrophobicContact CD2-CD1 3.61Å; L30-L52 HydrophobicContact CD2-CD2 3.85Å; L30-L52 HydrophobicContact CD2-CG 3.79Å; L30-L52 HydrophobicContact CG-CD1 4Å; L30-L52 HydrophobicContact CG-CD2 4.34Å; L30-F58 HydrophobicContact CB-CD1 4.4Å; L30-F58 HydrophobicContact CB-CE1 3.2Å; L30-F58 HydrophobicContact CB-CZ 3.49Å; L30-F58 VanDerWaalsContact CB-CZ 3.49Å; L30-F58 HydrophobicContact CD1-CE1 4.23Å; L30-F58 HydrophobicContact CD1-CZ 3.8Å; L30-F58 HydrophobicContact CD2-CD1 4.06Å; L30-F58 HydrophobicContact CD2-CE1 3.37Å; L30-F58 HydrophobicContact CD2-CZ 3.75Å; L30-F58 HydrophobicContact CG-CE1 3.76Å; L30-F58 HydrophobicContact CG-CZ 3.87Å
31S50.9Low53.7Low13 Ų1379.5 Ų79.59%0.09137%0.366CS..Hα-helixtrans-55-42.8173.6-167.90000109.4R28 L34 E35 C61R28-S31 PolarHBondContact O-N 3.33Å; S31-L34 PolarHBondContact O-N 3.34Å; S31-E35 VanDerWaalsContact O-CB 3.27Å; S31-E35 WeakPolarHBondContact O-CB 3.28Å; S31-E35 PolarHBondContact O-N 3.23Å; S31-C61 VanDerWaalsContact CB-O 3.25Å; S31-C61 WeakPolarHBondContact CB-O 3.36Å; S31-C61 PolarHBondContact OG-O 2.93Å; S31-C61 VanDerWaalsContact OG-O 3.1Å
32R49.2Very low54.3Low112 Ų11281 Ų8142%0.42338%0.38SS..Hα-helixtrans-64.7-36.2170.9-85-176.7160.4141.8-0.5114.6L30 I36L30-R32 PolarHBondContact O-N 3.4Å; R32-I36 WeakPolarHBondContact O-CB 3.46Å; R32-I36 WeakPolarHBondContact O-CD1 3.4Å; R32-I36 VanDerWaalsContact O-CG1 3.26Å; R32-I36 WeakPolarHBondContact O-CG1 3.43Å; R32-I36 PolarHBondContact O-N 3.14Å
33L61.2Low55.3Low45 Ų4582.8 Ų82.824%0.23639%0.392CS..Hα-helixtrans-71.5-41.3178.2-160.270.9000110.6L30 E35 I36 L37 L48L30-L33 CarbonylContact O-C 3.51Å; L30-L33 WeakPolarHBondContact O-CA 3.28Å; L30-L33 PolarHBondContact O-N 3.36Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-I36 PolarHBondContact O-N 3.01Å; L33-L37 HydrophobicContact CD2-CD1 4.3Å; L33-L37 HydrophobicContact CG-CD1 3.88Å; L33-L37 HydrophobicContact CG-CG 4.34Å; L33-L37 WeakPolarHBondContact O-CB 2.99Å; L33-L37 WeakPolarHBondContact O-CD1 3.35Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.09Å; L33-L48 HydrophobicContact CB-CD2 4.22Å; L33-L48 HydrophobicContact CD2-CD1 3.64Å; L33-L48 HydrophobicContact CD2-CD2 3.75Å; L33-L48 HydrophobicContact CD2-CG 4.35Å; L33-L48 HydrophobicContact CG-CD2 4.21Å
34L57.9Low56.2Low7 Ų781.9 Ų81.94%0.03739%0.387CS..Hα-helixtrans-63.7-36.8173.6-68.1172.8000112L30 S31 R38 A45 L48 L49L30-L34 HydrophobicContact CD2-CD1 3.88Å; L30-L34 HydrophobicContact CD2-CG 4.29Å; L30-L34 HydrophobicContact CG-CD1 4.37Å; L30-L34 HydrophobicContact CG-CG 4.35Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.38Å; L30-L34 PolarHBondContact O-N 3Å; S31-L34 PolarHBondContact O-N 3.34Å; L34-R38 VanDerWaalsContact O-CB 3.24Å; L34-R38 WeakPolarHBondContact O-CB 3.38Å; L34-R38 WeakPolarHBondContact O-CD 3.43Å; L34-R38 WeakPolarHBondContact O-CG 3.36Å; L34-R38 PolarHBondContact O-N 2.7Å; L34-A45 VanDerWaalsContact CD2-O 3.26Å; L34-A45 WeakPolarHBondContact CD2-O 3.27Å; L34-L48 HydrophobicContact CD2-CB 4.07Å; L34-L48 HydrophobicContact CD2-CD2 3.63Å; L34-L48 HydrophobicContact CD2-CG 4.46Å; L34-L48 HydrophobicContact CG-CD2 4Å; L34-L49 HydrophobicContact CD1-CD1 4.28Å; L34-L49 HydrophobicContact CD1-CD2 4.2Å; L34-L49 HydrophobicContact CD1-CG 3.8Å; L34-L49 HydrophobicContact CD2-CB 4.15Å; L34-L49 HydrophobicContact CD2-CD1 3.89Å; L34-L49 HydrophobicContact CD2-CG 3.61Å; L34-L49 HydrophobicContact CG-CG 4.33Å
35E52.3Low57Low60 Ų6077 Ų7728%0.2836%0.361SS..Hα-helixtrans-65.1-53.1174.2-164.5161.8-132.300110.9S31 L33 L37 R38 T39S31-E35 VanDerWaalsContact O-CB 3.27Å; S31-E35 WeakPolarHBondContact O-CB 3.28Å; S31-E35 PolarHBondContact O-N 3.23Å; L33-E35 VanDerWaalsContact C-N 3.33Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.11Å; E35-R38 PolarHBondContact O-N 3.47Å; E35-T39 PolarHBondContact O-N 3.15Å; E35-T39 VanDerWaalsContact O-N 3.11Å; E35-T39 PolarHBondContact O-OG1 3.13Å; E35-T39 VanDerWaalsContact O-OG1 3.08Å
36I57.9Low57.2Low96 Ų9673.8 Ų73.849%0.49235%0.354SS..Hα-helixtrans-59.2-42.5175.5-68165.5000111.8R32 L33 T39 Y40R32-I36 WeakPolarHBondContact O-CB 3.46Å; R32-I36 WeakPolarHBondContact O-CD1 3.4Å; R32-I36 VanDerWaalsContact O-CG1 3.26Å; R32-I36 WeakPolarHBondContact O-CG1 3.43Å; R32-I36 PolarHBondContact O-N 3.14Å; L33-I36 PolarHBondContact O-N 3.01Å; I36-T39 PolarHBondContact O-N 3.06Å; I36-Y40 HydrophobicContact CG2-CD2 4.27Å; I36-Y40 WeakPolarHBondContact O-CD2 3.49Å; I36-Y40 PolarHBondContact O-N 3.41Å
37L60.9Low57.8Low19 Ų1979.4 Ų79.410%0.09938%0.38CS..Hα-helixtrans-70.3-37.6179.6-68.2171.7000111.4L33 E35 T39 Y40 K41 L44 A45 L48L33-L37 HydrophobicContact CD2-CD1 4.3Å; L33-L37 HydrophobicContact CG-CD1 3.88Å; L33-L37 HydrophobicContact CG-CG 4.34Å; L33-L37 WeakPolarHBondContact O-CB 2.99Å; L33-L37 WeakPolarHBondContact O-CD1 3.35Å; L33-L37 WeakPolarHBondContact O-CG 3.47Å; L33-L37 PolarHBondContact O-N 3.09Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.11Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 2.91Å; L37-Y40 PolarHBondContact O-N 3.17Å; L37-K41 HydrophobicContact CD2-CB 4.25Å; L37-K41 CarbonylContact O-C 3.42Å; L37-K41 WeakPolarHBondContact O-CA 3.43Å; L37-K41 PolarHBondContact O-N 3Å; L37-L44 HydrophobicContact CD1-CG 4.3Å; L37-L44 HydrophobicContact CD2-CB 4.07Å; L37-L44 HydrophobicContact CD2-CD2 3.63Å; L37-L44 HydrophobicContact CD2-CG 3.84Å; L37-A45 HydrophobicContact CB-CB 3.41Å; L37-A45 VanDerWaalsContact CB-CB 3.41Å; L37-L48 HydrophobicContact CD1-CB 4.1Å; L37-L48 HydrophobicContact CD1-CD1 4.11Å; L37-L48 HydrophobicContact CD1-CD2 4.13Å; L37-L48 HydrophobicContact CD1-CG 4.33Å
38R59.6Low58.3Low146 Ų14680.8 Ų80.855%0.55139%0.386SS*.Hα-helixtrans-59.3-36.9172.2-80.6167.4178.8176.7-1.3112L34 E35 A45L34-R38 VanDerWaalsContact O-CB 3.24Å; L34-R38 WeakPolarHBondContact O-CB 3.38Å; L34-R38 WeakPolarHBondContact O-CD 3.43Å; L34-R38 WeakPolarHBondContact O-CG 3.36Å; L34-R38 PolarHBondContact O-N 2.7Å; E35-R38 PolarHBondContact O-N 3.47Å; R38-A45 HydrophobicContact CG-CB 4.09Å
39T51.3Low59.2Low98 Ų9875.1 Ų75.160%0.60137%0.37SS*.Hα-helixtrans-75.8-40.7178.6-47.40000113.4E35 I36 L37E35-T39 PolarHBondContact O-N 3.15Å; E35-T39 VanDerWaalsContact O-N 3.11Å; E35-T39 PolarHBondContact O-OG1 3.13Å; E35-T39 VanDerWaalsContact O-OG1 3.08Å; I36-T39 PolarHBondContact O-N 3.06Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 2.91Å
40Y63Low59.4Low183 Ų18378.6 Ų78.672%0.71839%0.388SS*.Hα-helixtrans-115.3-22.6-167.4-67.9-79.9000116I36 L37I36-Y40 HydrophobicContact CG2-CD2 4.27Å; I36-Y40 WeakPolarHBondContact O-CD2 3.49Å; I36-Y40 PolarHBondContact O-N 3.41Å; L37-Y40 PolarHBondContact O-N 3.17Å
41K69.2Low59.8Low131 Ų13181.9 Ų81.957%0.5741%0.411SS*.  trans-153.675-179.5-70-162.4174.9-170.30111.5L37 D43 L44 A45L37-K41 HydrophobicContact CD2-CB 4.25Å; L37-K41 CarbonylContact O-C 3.42Å; L37-K41 WeakPolarHBondContact O-CA 3.43Å; L37-K41 PolarHBondContact O-N 3Å; K41-D43 VanDerWaalsContact C-N 3.3Å; K41-D43 PolarHBondContact O-N 3.25Å; K41-L44 HydrophobicContact CB-CB 4.01Å; K41-L44 HydrophobicContact CD-CD2 4.16Å; K41-L44 PolarHBondContact O-N 3.36Å; K41-A45 PolarHBondContact O-N 3.06Å; K41-A45 VanDerWaalsContact O-N 3.1Å
42P65.2Low60.1Low74 Ų7482 Ų8248%0.48141%0.411SS..Hα-helixtrans-60.4-34-170.522.2-33.7000114.1L44 A45 S46P42-L44 VanDerWaalsContact C-N 3.32Å; P42-L44 PolarHBondContact O-N 3.4Å; P42-A45 VanDerWaalsContact O-CB 3.3Å; P42-A45 WeakPolarHBondContact O-CB 3.44Å; P42-A45 PolarHBondContact O-N 3.47Å; P42-A45 VanDerWaalsContact O-N 3.15Å; P42-S46 PolarHBondContact O-N 3.25Å; P42-S46 VanDerWaalsContact O-N 3.08Å; P42-S46 PolarHBondContact O-OG 2.91Å
43D65.8Low60.5Low136 Ų13681.2 Ų81.273%0.72742%0.422SS*.Hα-helixtrans-58.3-46.3175.4-48-35.8000111.1K41 A45 S46 E47K41-D43 VanDerWaalsContact C-N 3.3Å; K41-D43 PolarHBondContact O-N 3.25Å; D43-A45 VanDerWaalsContact C-N 3.31Å; D43-A45 PolarHBondContact O-N 3.49Å; D43-S46 WeakPolarHBondContact O-CB 3.45Å; D43-S46 PolarHBondContact O-N 2.8Å; D43-E47 PolarHBondContact O-N 3.08Å
44L66.4Low60Low72 Ų7283.7 Ų83.738%0.37744%0.444SS..Hα-helixtrans-71.7-26179.6-170.663.3000111.7L37 K41 P42 S46 L48L37-L44 HydrophobicContact CD1-CG 4.3Å; L37-L44 HydrophobicContact CD2-CB 4.07Å; L37-L44 HydrophobicContact CD2-CD2 3.63Å; L37-L44 HydrophobicContact CD2-CG 3.84Å; K41-L44 HydrophobicContact CB-CB 4.01Å; K41-L44 HydrophobicContact CD-CD2 4.16Å; K41-L44 PolarHBondContact O-N 3.36Å; P42-L44 VanDerWaalsContact C-N 3.32Å; P42-L44 PolarHBondContact O-N 3.4Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-L48 VanDerWaalsContact O-CB 3.25Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 2.92Å; L44-L48 VanDerWaalsContact O-N 3.09Å
45A64Low59.7Low3 Ų384.5 Ų84.53%0.02545%0.447CS..Hα-helixtrans-66-4017100000111.6L34 L37 R38 K41 P42 D43 L48 L49L34-A45 VanDerWaalsContact CD2-O 3.26Å; L34-A45 WeakPolarHBondContact CD2-O 3.27Å; L37-A45 HydrophobicContact CB-CB 3.41Å; L37-A45 VanDerWaalsContact CB-CB 3.41Å; R38-A45 HydrophobicContact CG-CB 4.09Å; K41-A45 PolarHBondContact O-N 3.06Å; K41-A45 VanDerWaalsContact O-N 3.1Å; P42-A45 VanDerWaalsContact O-CB 3.3Å; P42-A45 WeakPolarHBondContact O-CB 3.44Å; P42-A45 PolarHBondContact O-N 3.47Å; P42-A45 VanDerWaalsContact O-N 3.15Å; D43-A45 VanDerWaalsContact C-N 3.31Å; D43-A45 PolarHBondContact O-N 3.49Å; A45-L48 PolarHBondContact O-N 2.83Å; A45-L49 PolarHBondContact O-N 3.01Å
46S55.5Low59.4Low71 Ų7187.2 Ų87.250%0.49747%0.47SS..Hα-helixtrans-71.8-45-177.5-52.60000111P42 D43 L44 L48 L49 L50P42-S46 PolarHBondContact O-N 3.25Å; P42-S46 VanDerWaalsContact O-N 3.08Å; P42-S46 PolarHBondContact O-OG 2.91Å; D43-S46 WeakPolarHBondContact O-CB 3.45Å; D43-S46 PolarHBondContact O-N 2.8Å; L44-S46 VanDerWaalsContact C-N 3.34Å; S46-L48 VanDerWaalsContact C-N 3.29Å; S46-L48 PolarHBondContact O-N 3.11Å; S46-L49 PolarHBondContact O-N 2.86Å; S46-L50 PolarHBondContact O-N 2.95Å; S46-L50 VanDerWaalsContact O-N 3.16Å
47E63.7Low58.4Low129 Ų12989.5 Ų89.560%0.60347%0.472SS*.Hα-helixtrans-61.1-38173.1-166.3-179.5-167.300111.6D43 S51D43-E47 PolarHBondContact O-N 3.08Å; E47-S51 PolarHBondContact O-N 3.25Å
48L61.6Low57.9Low32 Ų3289.5 Ų89.517%0.16847%0.471CS..Hα-helixtrans-69-42.8176.4-157.5108.5000112.3L30 L33 L34 L37 L44 A45 S46 L50 S51 L52L30-L48 HydrophobicContact CD1-CD2 3.72Å; L30-L48 HydrophobicContact CD2-CD2 4.24Å; L30-L48 HydrophobicContact CG-CD2 3.75Å; L33-L48 HydrophobicContact CB-CD2 4.22Å; L33-L48 HydrophobicContact CD2-CD1 3.64Å; L33-L48 HydrophobicContact CD2-CD2 3.75Å; L33-L48 HydrophobicContact CD2-CG 4.35Å; L33-L48 HydrophobicContact CG-CD2 4.21Å; L34-L48 HydrophobicContact CD2-CB 4.07Å; L34-L48 HydrophobicContact CD2-CD2 3.63Å; L34-L48 HydrophobicContact CD2-CG 4.46Å; L34-L48 HydrophobicContact CG-CD2 4Å; L37-L48 HydrophobicContact CD1-CB 4.1Å; L37-L48 HydrophobicContact CD1-CD1 4.11Å; L37-L48 HydrophobicContact CD1-CD2 4.13Å; L37-L48 HydrophobicContact CD1-CG 4.33Å; L44-L48 VanDerWaalsContact O-CB 3.25Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 2.92Å; L44-L48 VanDerWaalsContact O-N 3.09Å; A45-L48 PolarHBondContact O-N 2.83Å; S46-L48 VanDerWaalsContact C-N 3.29Å; S46-L48 PolarHBondContact O-N 3.11Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 3.17Å; L48-S51 PolarHBondContact O-N 3.12Å; L48-S51 VanDerWaalsContact O-N 3.13Å; L48-L52 HydrophobicContact CD2-CD1 3.97Å; L48-L52 HydrophobicContact CG-CD1 3.68Å; L48-L52 WeakPolarHBondContact O-CD1 3.24Å
49L62Low57.1Low78 Ų7887.5 Ų87.541%0.40847%0.471SS..Hα-helixtrans-57.1-43.2175.8-109.2152.9000112.1L34 A45 S46 S51 L52L34-L49 HydrophobicContact CD1-CD1 4.28Å; L34-L49 HydrophobicContact CD1-CD2 4.2Å; L34-L49 HydrophobicContact CD1-CG 3.8Å; L34-L49 HydrophobicContact CD2-CB 4.15Å; L34-L49 HydrophobicContact CD2-CD1 3.89Å; L34-L49 HydrophobicContact CD2-CG 3.61Å; L34-L49 HydrophobicContact CG-CG 4.33Å; A45-L49 PolarHBondContact O-N 3.01Å; S46-L49 PolarHBondContact O-N 2.86Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 2.92Å; L49-L52 PolarHBondContact O-N 2.87Å
50L57.4Low56.6Low139 Ų13986.2 Ų86.273%0.72847%0.466SS*.Hα-helixtrans-61.9-31.5176.2-90.1156.6000113.7S46 L48 L52 S53S46-L50 PolarHBondContact O-N 2.95Å; S46-L50 VanDerWaalsContact O-N 3.16Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 3.17Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.09Å; L50-S53 PolarHBondContact O-OG 2.95Å
51S60.8Low55.6Low76 Ų7677.7 Ų77.753%0.53143%0.434SS..THydrogen-bonded Turntrans-77.2-11.8-179.9175.40000114E47 L48 L49E47-S51 PolarHBondContact O-N 3.25Å; L48-S51 PolarHBondContact O-N 3.12Å; L48-S51 VanDerWaalsContact O-N 3.13Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 2.92Å
52L57.5Low54.5Low14 Ų1474.5 Ų74.57%0.07343%0.425CS..THydrogen-bonded Turntrans-126.14.6-161.6-77.4132.6000114.7L20 L30 L48 L49 L50 S54 F55 F58L20-L52 HydrophobicContact CD1-CD2 4.1Å; L20-L52 HydrophobicContact CD2-CD2 4.16Å; L30-L52 HydrophobicContact CD1-CD1 3.45Å; L30-L52 VanDerWaalsContact CD1-CD1 3.45Å; L30-L52 HydrophobicContact CD1-CD2 3.72Å; L30-L52 HydrophobicContact CD1-CG 4.11Å; L30-L52 HydrophobicContact CD2-CB 3.56Å; L30-L52 HydrophobicContact CD2-CD1 3.61Å; L30-L52 HydrophobicContact CD2-CD2 3.85Å; L30-L52 HydrophobicContact CD2-CG 3.79Å; L30-L52 HydrophobicContact CG-CD1 4Å; L30-L52 HydrophobicContact CG-CD2 4.34Å; L48-L52 HydrophobicContact CD2-CD1 3.97Å; L48-L52 HydrophobicContact CG-CD1 3.68Å; L48-L52 WeakPolarHBondContact O-CD1 3.24Å; L49-L52 PolarHBondContact O-N 2.87Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.09Å; L52-S54 PolarHBondContact O-N 3.15Å; L52-F55 HydrophobicContact CD2-CD2 4.45Å; L52-F55 HydrophobicContact CD2-CE2 4.26Å; L52-F58 HydrophobicContact CD2-CD2 3.97Å; L52-F58 HydrophobicContact CD2-CE1 4.3Å; L52-F58 HydrophobicContact CD2-CE2 3.29Å; L52-F58 HydrophobicContact CD2-CZ 3.54Å
53S57.1Low53.5Low96 Ų9673.8 Ų73.867%0.67142%0.415SS*.THydrogen-bonded Turntrans-65.5-13.4165.749.70000114.2L50 F55L50-S53 PolarHBondContact O-OG 2.95Å; S53-F55 PolarHBondContact O-N 2.76Å
54S51.7Low53Low98 Ų9869.3 Ų69.369%0.68539%0.391SS*.THydrogen-bonded Turntrans-84.51.4-173.6-470000115.9L52L52-S54 PolarHBondContact O-N 3.15Å
55F52Low52.7Low24 Ų2469.3 Ų69.311%0.10539%0.389CS..  trans-121.3121.9-166.9-74.2-111.9000112.9L20 E22 T26 L52 S53 F58 L59L20-F55 HydrophobicContact CD2-CZ 4.2Å; E22-F55 HydrophobicContact CB-CE1 3.8Å; E22-F55 HydrophobicContact CG-CD1 4.46Å; E22-F55 HydrophobicContact CG-CE1 3.36Å; E22-F55 HydrophobicContact CG-CZ 3.61Å; E22-F55 WeakPolarHBondContact OE1-CZ 3.49Å; T26-F55 HydrophobicContact CG2-CD1 4.15Å; T26-F55 HydrophobicContact CG2-CE1 3.95Å; L52-F55 HydrophobicContact CD2-CD2 4.45Å; L52-F55 HydrophobicContact CD2-CE2 4.26Å; S53-F55 PolarHBondContact O-N 2.76Å; F55-F58 HydrophobicContact CB-CB 3.64Å; F55-F58 HydrophobicContact CB-CD2 3.46Å; F55-F58 VanDerWaalsContact CB-CD2 3.46Å; F55-F58 HydrophobicContact CB-CG 3.95Å; F55-F58 AromaticContact CD1-CD2 3.94Å; F55-F58 HydrophobicContact CD1-CD2 3.94Å; F55-F58 HydrophobicContact CD1-CE2 4.42Å; F55-F58 HydrophobicContact CD2-CD2 4.21Å; F55-F58 AromaticContact CG-CD2 3.68Å; F55-F58 HydrophobicContact CG-CD2 3.68Å; F55-F58 HydrophobicContact CG-CE2 4.4Å; F55-F58 WeakPolarHBondContact O-CB 3.21Å; F55-F58 PolarHBondContact O-N 3.08Å; F55-L59 WeakPolarHBondContact O-CD1 3.35Å
56P44.2Very low53.1Low117 Ų11773.8 Ų73.876%0.7641%0.406SS*.G310 helixtrans-70.8-38.6-176.6-24.235.5000115.8F58P56-F58 PolarHBondContact O-N 3.39Å
57R38.5Very low54.1Low144 Ų14470.9 Ų70.954%0.54339%0.385SS..G310 helixtrans-68.6-12.5177.3-79-179165.8137.6-27.7113.4D24 S60D24-R57 VanDerWaalsContact CG-NH2 3.31Å; D24-R57 IonicContact OD1-CZ 3.39Å; D24-R57 IonicContact OD1-NH1 2.68Å; D24-R57 PolarHBondContact OD1-NH1 3.08Å; D24-R57 IonicContact OD1-NH2 3.78Å; D24-R57 IonicContact OD2-CZ 3.85Å; D24-R57 IonicContact OD2-NH1 2.7Å; D24-R57 PolarHBondContact OD2-NH1 3.37Å; D24-R57 VanDerWaalsContact OD2-NH1 3.09Å; D24-R57 IonicContact OD2-NH2 2.9Å; D24-R57 PolarHBondContact OD2-NH2 3.07Å; R57-S60 PolarHBondContact O-OG 3.27Å; R57-S60 VanDerWaalsContact O-OG 3.07Å
58F49.6Very low54.6Low18 Ų1869.6 Ų69.68%0.07938%0.382CS..G310 helixtrans-72.8-29.4-177.4-125.5-63.3000113.5T26 G27 L30 L52 F55 P56 S60 C61T26-F58 VanDerWaalsContact C-CZ 3.47Å; T26-F58 VanDerWaalsContact CB-CE2 3.44Å; T26-F58 HydrophobicContact CG2-CD2 4.31Å; T26-F58 HydrophobicContact CG2-CE2 3.81Å; T26-F58 WeakPolarHBondContact O-CE1 3.33Å; T26-F58 WeakPolarHBondContact O-CZ 3.37Å; G27-F58 VanDerWaalsContact O-CE1 3.32Å; G27-F58 WeakPolarHBondContact O-CE1 3.37Å; L30-F58 HydrophobicContact CB-CD1 4.4Å; L30-F58 HydrophobicContact CB-CE1 3.2Å; L30-F58 HydrophobicContact CB-CZ 3.49Å; L30-F58 VanDerWaalsContact CB-CZ 3.49Å; L30-F58 HydrophobicContact CD1-CE1 4.23Å; L30-F58 HydrophobicContact CD1-CZ 3.8Å; L30-F58 HydrophobicContact CD2-CD1 4.06Å; L30-F58 HydrophobicContact CD2-CE1 3.37Å; L30-F58 HydrophobicContact CD2-CZ 3.75Å; L30-F58 HydrophobicContact CG-CE1 3.76Å; L30-F58 HydrophobicContact CG-CZ 3.87Å; L52-F58 HydrophobicContact CD2-CD2 3.97Å; L52-F58 HydrophobicContact CD2-CE1 4.3Å; L52-F58 HydrophobicContact CD2-CE2 3.29Å; L52-F58 HydrophobicContact CD2-CZ 3.54Å; F55-F58 HydrophobicContact CB-CB 3.64Å; F55-F58 HydrophobicContact CB-CD2 3.46Å; F55-F58 VanDerWaalsContact CB-CD2 3.46Å; F55-F58 HydrophobicContact CB-CG 3.95Å; F55-F58 AromaticContact CD1-CD2 3.94Å; F55-F58 HydrophobicContact CD1-CD2 3.94Å; F55-F58 HydrophobicContact CD1-CE2 4.42Å; F55-F58 HydrophobicContact CD2-CD2 4.21Å; F55-F58 AromaticContact CG-CD2 3.68Å; F55-F58 HydrophobicContact CG-CD2 3.68Å; F55-F58 HydrophobicContact CG-CE2 4.4Å; F55-F58 WeakPolarHBondContact O-CB 3.21Å; F55-F58 PolarHBondContact O-N 3.08Å; P56-F58 PolarHBondContact O-N 3.39Å; F58-S60 PolarHBondContact O-N 3.26Å; F58-C61 PolarHBondContact O-N 3.28Å
59L43.2Very low55.5Low105 Ų10572.6 Ų72.655%0.5540%0.398SS..G310 helixtrans-61.2-28.4-174.6-81.678.6000113.5F55 C61 Q65F55-L59 WeakPolarHBondContact O-CD1 3.35Å; L59-C61 PolarHBondContact O-N 3.4Å; L59-Q65 VanDerWaalsContact O-CD 3.25Å; L59-Q65 PolarHBondContact O-OE1 2.76Å
60S41.3Very low56.6Low70 Ų7070.6 Ų70.649%0.4939%0.388SS..G310 helixtrans-62.4-1.7-176.963.80000116.4R57 F58R57-S60 PolarHBondContact O-OG 3.27Å; R57-S60 VanDerWaalsContact O-OG 3.07Å; F58-S60 PolarHBondContact O-N 3.26Å
61C40.9Very low58.1Low5 Ų564.1 Ų64.13%0.03435%0.353CS..G310 helixtrans-123-8.5-159.5-69.60000116.4G27 R28 S31 F58 L59G27-C61 WeakPolarHBondContact CA-SG 3.14Å; G27-C61 WeakPolarHBondContact O-CB 2.98Å; R28-C61 HydrophobicContact CG-CB 4.5Å; R28-C61 WeakPolarHBondContact CG-SG 3.23Å; R28-C61 PolarHBondContact N-SG 2.97Å; S31-C61 VanDerWaalsContact CB-O 3.25Å; S31-C61 WeakPolarHBondContact CB-O 3.36Å; S31-C61 PolarHBondContact OG-O 2.93Å; S31-C61 VanDerWaalsContact OG-O 3.1Å; F58-C61 PolarHBondContact O-N 3.28Å; L59-C61 PolarHBondContact O-N 3.4Å
62V45.3Very low59.4Low64 Ų6463.4 Ų63.439%0.38834%0.344SS..SBendtrans-107100.4169.8-174.60000109.3
63Q45.2Very low60.8Low59 Ų5968.2 Ų68.228%0.27638%0.376SS..SBendtrans24125.1152.7-67.8162.6-13.400119.4L68 W141Q63-L68 WeakPolarHBondContact O-CD1 3.38Å; Q63-W141 VanDerWaalsContact CG-CD1 3.43Å; Q63-W141 VanDerWaalsContact CG-NE1 3.33Å
64N55.6Low62.2Low42 Ų4266.2 Ų66.223%0.22536%0.357CS..  trans61.635.8168.3-65.2-69.5000116.5Y66 L67 L68N64-Y66 PolarHBondContact O-N 3.02Å; N64-L67 HydrophobicContact CB-CB 4.15Å; N64-L67 HydrophobicContact CB-CD1 4.45Å; N64-L67 PolarHBondContact O-N 2.88Å; N64-L68 HydrophobicContact CB-CD1 4.37Å; N64-L68 HydrophobicContact CB-CG 4.23Å; N64-L68 WeakPolarHBondContact O-CB 3.28Å; N64-L68 WeakPolarHBondContact O-CG 3.5Å; N64-L68 PolarHBondContact O-N 3.4Å
65Q59.5Low64.1Low71 Ų7165.8 Ų65.833%0.33235%0.35SS..Hα-helixtrans-50.2-53.5-178.4-78.5-158.9-86.800113.6L59 L67 L68 D69L59-Q65 VanDerWaalsContact O-CD 3.25Å; L59-Q65 PolarHBondContact O-OE1 2.76Å; Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 2.85Å; Q65-L68 PolarHBondContact O-N 2.94Å; Q65-L68 VanDerWaalsContact O-N 3.13Å; Q65-D69 WeakPolarHBondContact O-CB 3.48Å; Q65-D69 PolarHBondContact O-N 3.28Å; Q65-D69 VanDerWaalsContact O-OD2 3.12Å
66Y71.9Confident65.9Low98 Ų9869.8 Ų69.838%0.38437%0.368SS..Hα-helixtrans-60.1-39.4-177-175.5-93.1000113N64 N70 F71 W136N64-Y66 PolarHBondContact O-N 3.02Å; Y66-N70 WeakPolarHBondContact CD2-ND2 3.46Å; Y66-N70 VanDerWaalsContact CE2-ND2 3.32Å; Y66-N70 WeakPolarHBondContact CE2-ND2 3.34Å; Y66-N70 WeakPolarHBondContact O-CB 3.47Å; Y66-N70 PolarHBondContact O-N 3.33Å; Y66-N70 PolarHBondContact O-ND2 3.44Å; Y66-F71 HydrophobicContact CD1-CE2 4.27Å; Y66-F71 AromaticContact CE1-CE2 3.79Å; Y66-F71 HydrophobicContact CE1-CE2 3.79Å; Y66-W136 AromaticContact CD1-CD1 3.82Å; Y66-W136 AromaticContact CD1-CD2 3.7Å; Y66-W136 HydrophobicContact CD1-CD2 3.7Å; Y66-W136 AromaticContact CD1-CE2 3.4Å; Y66-W136 HydrophobicContact CD1-CE3 4.31Å; Y66-W136 AromaticContact CD1-CG 3.98Å; Y66-W136 HydrophobicContact CD1-CG 3.98Å; Y66-W136 HydrophobicContact CD1-CH2 4.43Å; Y66-W136 AromaticContact CD1-CZ2 3.82Å; Y66-W136 HydrophobicContact CD1-CZ2 3.82Å; Y66-W136 AromaticContact CD1-NE1 3.46Å; Y66-W136 AromaticContact CE1-CD2 3.56Å; Y66-W136 HydrophobicContact CE1-CD2 3.56Å; Y66-W136 AromaticContact CE1-CE2 3.61Å; Y66-W136 AromaticContact CE1-CE3 3.7Å; Y66-W136 HydrophobicContact CE1-CE3 3.7Å; Y66-W136 HydrophobicContact CE1-CG 4.14Å; Y66-W136 AromaticContact CE1-CH2 3.97Å; Y66-W136 HydrophobicContact CE1-CH2 3.97Å; Y66-W136 AromaticContact CE1-CZ2 3.83Å; Y66-W136 HydrophobicContact CE1-CZ2 3.83Å; Y66-W136 AromaticContact CE1-CZ3 3.9Å; Y66-W136 HydrophobicContact CE1-CZ3 3.9Å
67L77.3Confident67.8Low9 Ų968.5 Ų68.55%0.04735%0.354CS..Hα-helixtrans-66.4-46.9174.6-84.9168.3000111.9N64 Q65 F71 L74 I99 K101 W136N64-L67 HydrophobicContact CB-CB 4.15Å; N64-L67 HydrophobicContact CB-CD1 4.45Å; N64-L67 PolarHBondContact O-N 2.88Å; Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 2.85Å; L67-F71 HydrophobicContact CD2-CD2 4.21Å; L67-F71 WeakPolarHBondContact O-CA 3.49Å; L67-F71 WeakPolarHBondContact O-CB 3.42Å; L67-F71 PolarHBondContact O-N 3.49Å; L67-L74 HydrophobicContact CD1-CD1 4.28Å; L67-L74 HydrophobicContact CD2-CD1 4.26Å; L67-L74 HydrophobicContact CD2-CD2 4.17Å; L67-I99 HydrophobicContact CD2-CD1 3.57Å; L67-K101 VanDerWaalsContact CD1-CE 3.48Å; L67-W136 HydrophobicContact CD2-CZ2 3.72Å; L67-W136 HydrophobicContact CG-CZ2 4.1Å
68L74.7Confident69.9Low103 Ų10362.8 Ų62.854%0.53934%0.339SS..Hα-helixtrans-69.5-35.8-179.1-69.9173.5000112.9Q63 N64 Q65 K91Q63-L68 WeakPolarHBondContact O-CD1 3.38Å; N64-L68 HydrophobicContact CB-CD1 4.37Å; N64-L68 HydrophobicContact CB-CG 4.23Å; N64-L68 WeakPolarHBondContact O-CB 3.28Å; N64-L68 WeakPolarHBondContact O-CG 3.5Å; N64-L68 PolarHBondContact O-N 3.4Å; Q65-L68 PolarHBondContact O-N 2.94Å; Q65-L68 VanDerWaalsContact O-N 3.13Å; L68-K91 PolarHBondContact O-NZ 2.82Å
69D79.6Confident71.4Confident95 Ų9567.8 Ų67.851%0.50837%0.367SS..Hα-helixtrans-75.6-41.8-176.9-64.4-23.6000110.6Q65 K91Q65-D69 WeakPolarHBondContact O-CB 3.48Å; Q65-D69 PolarHBondContact O-N 3.28Å; Q65-D69 VanDerWaalsContact O-OD2 3.12Å; D69-K91 WeakPolarHBondContact O-CD 3.21Å
70N84.5Confident72.7Confident36 Ų3665.2 Ų65.219%0.19337%0.366CS..Hα-helixtrans-102.7-14.2-171.7-56.6-74.2000115.1Y66 H90 K91Y66-N70 WeakPolarHBondContact CD2-ND2 3.46Å; Y66-N70 VanDerWaalsContact CE2-ND2 3.32Å; Y66-N70 WeakPolarHBondContact CE2-ND2 3.34Å; Y66-N70 WeakPolarHBondContact O-CB 3.47Å; Y66-N70 PolarHBondContact O-N 3.33Å; Y66-N70 PolarHBondContact O-ND2 3.44Å; N70-H90 PolarHBondContact O-CD2 2.99Å; N70-K91 WeakPolarHBondContact O-CB 3.37Å; N70-K91 PolarHBondContact O-N 3.47Å
71F88.9Confident73.9Confident2 Ų265.8 Ų65.81%0.00938%0.383CS..BIsolated β-bridgetrans-129.4155.5-176.8-57.8-96.6000112.9Y66 L67 T88 R89 H90 K91 I99 W136Y66-F71 HydrophobicContact CD1-CE2 4.27Å; Y66-F71 AromaticContact CE1-CE2 3.79Å; Y66-F71 HydrophobicContact CE1-CE2 3.79Å; L67-F71 HydrophobicContact CD2-CD2 4.21Å; L67-F71 WeakPolarHBondContact O-CA 3.49Å; L67-F71 WeakPolarHBondContact O-CB 3.42Å; L67-F71 PolarHBondContact O-N 3.49Å; F71-T88 HydrophobicContact CB-CG2 4.05Å; F71-T88 HydrophobicContact CD1-CG2 3.62Å; F71-T88 HydrophobicContact CE1-CG2 4.44Å; F71-T88 HydrophobicContact CG-CG2 4.12Å; F71-R89 WeakPolarHBondContact CA-O 3.1Å; F71-H90 HydrophobicContact CD1-CB 3.71Å; F71-H90 HydrophobicContact CE1-CB 3.64Å; F71-H90 AromaticContact CE1-CD2 3.68Å; F71-H90 AromaticContact CE1-CG 4Å; F71-H90 AromaticContact CZ-CD2 3.72Å; F71-K91 WeakPolarHBondContact O-CE 3.46Å; F71-K91 PolarHBondContact O-NZ 3.49Å; F71-K91 VanDerWaalsContact O-NZ 3.08Å; F71-I99 HydrophobicContact CD1-CD1 3.89Å; F71-I99 HydrophobicContact CD2-CD1 4.36Å; F71-I99 HydrophobicContact CE1-CD1 3.87Å; F71-I99 HydrophobicContact CE2-CD1 4.35Å; F71-I99 HydrophobicContact CG-CD1 4.14Å; F71-I99 HydrophobicContact CZ-CD1 4.11Å; F71-W136 AromaticContact CE2-CH2 3.75Å; F71-W136 HydrophobicContact CE2-CH2 3.75Å; F71-W136 HydrophobicContact CE2-CZ2 4.05Å; F71-W136 AromaticContact CZ-CH2 3.7Å; F71-W136 HydrophobicContact CZ-CH2 3.7Å; F71-W136 HydrophobicContact CZ-CZ2 4.44Å; F71-W136 HydrophobicContact CZ-CZ3 4.31Å
72D90Very high75.1Confident62 Ų6268 Ų6833%0.33239%0.392SS..PPolyproline II helixtrans-68.6162.4167.7-76.3-10.6000110.8L74 T88 R89D72-L74 PolarHBondContact O-N 3.47Å; D72-T88 PolarHBondContact N-OG1 2.78Å; D72-T88 PolarHBondContact O-OG1 2.68Å; D72-R89 HydrophobicContact CB-CB 4.27Å; D72-R89 PolarHBondContact N-O 2.9Å; D72-R89 WeakPolarHBondContact OD2-CB 3.47Å
73P85.5Confident76.7Confident115 Ų11566 Ų6675%0.74738%0.384SS*.PPolyproline II helixtrans-49.9132.3177.6-28.836.5000112.9V75P73-V75 PolarHBondContact O-N 3.13Å
74L87.7Confident78.6Confident54 Ų5465 Ų6528%0.28338%0.382SS..PPolyproline II helixtrans-69.6121.6-175.3-61.9-172.2000111.5L67 D72 Y86 T88 I99L67-L74 HydrophobicContact CD1-CD1 4.28Å; L67-L74 HydrophobicContact CD2-CD1 4.26Å; L67-L74 HydrophobicContact CD2-CD2 4.17Å; D72-L74 PolarHBondContact O-N 3.47Å; L74-Y86 HydrophobicContact CB-CD1 3.72Å; L74-Y86 HydrophobicContact CB-CG 3.91Å; L74-Y86 HydrophobicContact CD1-CD1 4.41Å; L74-Y86 HydrophobicContact CD1-CD2 4.24Å; L74-Y86 HydrophobicContact CD1-CG 4.07Å; L74-Y86 HydrophobicContact CG-CG 4.49Å; L74-T88 HydrophobicContact CD2-CG2 3.59Å; L74-I99 HydrophobicContact CD2-CD1 4.2Å
75V90.7Very high80.2Confident88 Ų8865 Ų6553%0.53338%0.384SS..EExtended strand (participates in β ladder)trans-96.7119.6173.2178.70000108.6P73 I77 Y86 K87P73-V75 PolarHBondContact O-N 3.13Å; V75-I77 PolarHBondContact O-N 3.21Å; V75-Y86 CarbonylContact O-C 3.58Å; V75-Y86 VanDerWaalsContact O-CA 3.23Å; V75-Y86 WeakPolarHBondContact O-CA 3.04Å; V75-K87 HydrophobicContact CB-CB 4.27Å; V75-K87 PolarHBondContact N-O 2.98Å; V75-K87 PolarHBondContact O-N 3.48Å
76F89.7Confident81.8Confident109 Ų10963.8 Ų63.848%0.47838%0.376SS..EExtended strand (participates in β ladder)trans-61.6134.5179.2179.3-102.9000112G78 D79 T84 Y86F76-G78 VanDerWaalsContact CE2-C 3.5Å; F76-G78 WeakPolarHBondContact CE2-O 3.19Å; F76-G78 VanDerWaalsContact CZ-CA 3.4Å; F76-D79 HydrophobicContact CE2-CB 4.06Å; F76-D79 HydrophobicContact CZ-CB 3.96Å; F76-T84 HydrophobicContact CE2-CG2 4.48Å; F76-Y86 HydrophobicContact CB-CD1 4.22Å; F76-Y86 HydrophobicContact CB-CE1 4.2Å; F76-Y86 HydrophobicContact CD2-CD1 4.5Å; F76-Y86 HydrophobicContact CD2-CE1 4.04Å
77I85Confident82.8Confident89 Ų8963.9 Ų63.946%0.45638%0.379SS..EExtended strand (participates in β ladder)trans-104.3-48172.7-52.8-179000110.4V75 V85 K87 A98 L271V75-I77 PolarHBondContact O-N 3.21Å; I77-V85 HydrophobicContact CD1-CG1 4.1Å; I77-V85 PolarHBondContact N-O 3.34Å; I77-K87 HydrophobicContact CD1-CB 3.76Å; I77-K87 HydrophobicContact CG1-CB 3.77Å; I77-A98 HydrophobicContact CD1-CB 4.49Å; I77-L271 HydrophobicContact CD1-CD1 3.62Å
78G81.2Confident83.5Confident24 Ų2463.7 Ų63.725%0.24738%0.378CS..EExtended strand (participates in β ladder)trans178.1168.2-175.100000112.6F76 V85F76-G78 VanDerWaalsContact CE2-C 3.5Å; F76-G78 WeakPolarHBondContact CE2-O 3.19Å; F76-G78 VanDerWaalsContact CZ-CA 3.4Å; G78-V85 PolarHBondContact N-O 3.14Å; G78-V85 PolarHBondContact O-N 2.84Å
79D82.4Confident84.4Confident124 Ų12461.7 Ų61.766%0.66336%0.363SS*.EExtended strand (participates in β ladder)trans-131.4157.4179.166.4-50.3000111.7F76 T84F76-D79 HydrophobicContact CE2-CB 4.06Å; F76-D79 HydrophobicContact CZ-CB 3.96Å; D79-T84 HydrophobicContact CB-CG2 3.85Å
80G69.5Low85Confident50 Ų5058.4 Ų58.452%0.51535%0.345SS..EExtended strand (participates in β ladder)trans-163.1-176178.500000112.2F82 G83G80-F82 PolarHBondContact O-N 2.78Å; G80-G83 PolarHBondContact N-O 3.04Å; G80-G83 PolarHBondContact O-N 3.39Å
81G66.6Low85.2Confident83 Ų8361.6 Ų61.686%0.85636%0.357SS*.THydrogen-bonded Turntrans-58.4-19-178.100000114.8
82F67.4Low85.3Confident52 Ų5268 Ų6823%0.22839%0.389CS..THydrogen-bonded Turntrans-102.38.4180-46.3-68000113.8G80 K100 I102 D421 L424G80-F82 PolarHBondContact O-N 2.78Å; F82-K100 WeakPolarHBondContact O-CE 3.34Å; F82-I102 WeakPolarHBondContact O-CG1 3.48Å; F82-D421 WeakPolarHBondContact CD2-OD2 3.29Å; F82-D421 WeakPolarHBondContact CE2-OD2 3.25Å; F82-L424 HydrophobicContact CE1-CD1 4.16Å; F82-L424 HydrophobicContact CE1-CD2 3.99Å; F82-L424 HydrophobicContact CE1-CG 3.65Å; F82-L424 HydrophobicContact CZ-CD1 3.58Å; F82-L424 HydrophobicContact CZ-CD2 4.27Å; F82-L424 HydrophobicContact CZ-CG 3.5Å; F82-L424 VanDerWaalsContact CZ-CG 3.5Å
83G77.5Confident85.3Confident21 Ų2168.1 Ų68.122%0.21639%0.39CS..EExtended strand (participates in β ladder)trans118.3-161.3176.800000114.5G80 K101G80-G83 PolarHBondContact N-O 3.04Å; G80-G83 PolarHBondContact O-N 3.39Å; G83-K101 VanDerWaalsContact CA-O 3.3Å; G83-K101 WeakPolarHBondContact CA-O 3.44Å
84T85.9Confident85.6Confident39 Ų3963.6 Ų63.624%0.23937%0.365CS..EExtended strand (participates in β ladder)trans-114.9137.5-172.851.70000111.4F76 D79 Y86 K101F76-T84 HydrophobicContact CE2-CG2 4.48Å; D79-T84 HydrophobicContact CB-CG2 3.85Å; T84-Y86 VanDerWaalsContact OG1-CE2 3.29Å; T84-Y86 WeakPolarHBondContact OG1-CE2 3.31Å; T84-Y86 PolarHBondContact OG1-OH 3.33Å; T84-K101 PolarHBondContact N-O 3.44Å; T84-K101 PolarHBondContact O-N 3.16Å
85V89.6Confident85.7Confident41 Ų4166.8 Ų66.825%0.24838%0.377CS..EExtended strand (participates in β ladder)trans-112.4133.3-177.9-170.20000110.5I77 G78 A98 I99 K100I77-V85 HydrophobicContact CD1-CG1 4.1Å; I77-V85 PolarHBondContact N-O 3.34Å; G78-V85 PolarHBondContact N-O 3.14Å; G78-V85 PolarHBondContact O-N 2.84Å; V85-A98 HydrophobicContact CG1-CB 4.05Å; V85-I99 WeakPolarHBondContact CA-O 3.48Å; V85-K100 HydrophobicContact CG2-CB 4.22Å; V85-K100 HydrophobicContact CG2-CG 4.12Å
86Y91.6Very high85.9Confident46 Ų4665 Ų6518%0.1837%0.365CS..EExtended strand (participates in β ladder)trans-124.4138.8-180-57.6-94000111.8L74 V75 F76 T84 A98 I99 K101L74-Y86 HydrophobicContact CB-CD1 3.72Å; L74-Y86 HydrophobicContact CB-CG 3.91Å; L74-Y86 HydrophobicContact CD1-CD1 4.41Å; L74-Y86 HydrophobicContact CD1-CD2 4.24Å; L74-Y86 HydrophobicContact CD1-CG 4.07Å; L74-Y86 HydrophobicContact CG-CG 4.49Å; V75-Y86 CarbonylContact O-C 3.58Å; V75-Y86 VanDerWaalsContact O-CA 3.23Å; V75-Y86 WeakPolarHBondContact O-CA 3.04Å; F76-Y86 HydrophobicContact CB-CD1 4.22Å; F76-Y86 HydrophobicContact CB-CE1 4.2Å; F76-Y86 HydrophobicContact CD2-CD1 4.5Å; F76-Y86 HydrophobicContact CD2-CE1 4.04Å; T84-Y86 VanDerWaalsContact OG1-CE2 3.29Å; T84-Y86 WeakPolarHBondContact OG1-CE2 3.31Å; T84-Y86 PolarHBondContact OG1-OH 3.33Å; Y86-A98 CarbonylContact O-C 3.17Å; Y86-A98 WeakPolarHBondContact O-CA 3.38Å; Y86-I99 PolarHBondContact N-O 3.06Å; Y86-I99 PolarHBondContact O-N 3.5Å; Y86-K101 HydrophobicContact CD2-CD 4.23Å; Y86-K101 HydrophobicContact CD2-CG 4.22Å; Y86-K101 HydrophobicContact CE2-CB 4.3Å; Y86-K101 HydrophobicContact CE2-CD 3.74Å; Y86-K101 HydrophobicContact CE2-CG 4.04Å
87K93.3Very high86.1Confident100 Ų10060.6 Ų60.644%0.43535%0.346SS..EExtended strand (participates in β ladder)trans-81.3132.9165.1175.2175.9-176.7-1760108.2V75 I77 V96 Y97 L271V75-K87 HydrophobicContact CB-CB 4.27Å; V75-K87 PolarHBondContact N-O 2.98Å; V75-K87 PolarHBondContact O-N 3.48Å; I77-K87 HydrophobicContact CD1-CB 3.76Å; I77-K87 HydrophobicContact CG1-CB 3.77Å; K87-V96 HydrophobicContact CD-CG1 4.37Å; K87-V96 HydrophobicContact CG-CG1 3.8Å; K87-Y97 WeakPolarHBondContact CA-O 3.29Å; K87-L271 HydrophobicContact CD-CD2 3.98Å; K87-L271 HydrophobicContact CG-CD2 3.97Å
88T93.1Very high86.5Confident5 Ų556.8 Ų56.83%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-151.9161.9168.1-178.80000110.7F71 D72 L74 V96 Y97 I99F71-T88 HydrophobicContact CB-CG2 4.05Å; F71-T88 HydrophobicContact CD1-CG2 3.62Å; F71-T88 HydrophobicContact CE1-CG2 4.44Å; F71-T88 HydrophobicContact CG-CG2 4.12Å; D72-T88 PolarHBondContact N-OG1 2.78Å; D72-T88 PolarHBondContact O-OG1 2.68Å; L74-T88 HydrophobicContact CD2-CG2 3.59Å; T88-V96 CarbonylContact O-C 3.51Å; T88-V96 WeakPolarHBondContact O-CA 3.34Å; T88-V96 WeakPolarHBondContact O-CG1 3.44Å; T88-Y97 PolarHBondContact N-O 3.39Å; T88-Y97 PolarHBondContact O-N 2.94Å; T88-I99 HydrophobicContact CG2-CD1 3.43Å; T88-I99 VanDerWaalsContact CG2-CD1 3.43Å; T88-I99 HydrophobicContact CG2-CG1 3.88Å
89R93.8Very high87Confident61 Ų6155.6 Ų55.623%0.2332%0.316CS..EExtended strand (participates in β ladder)trans-98.7133.9168.6-171.7-175.1-57.8-82.21108.7F71 D72 G94 K95F71-R89 WeakPolarHBondContact CA-O 3.1Å; D72-R89 HydrophobicContact CB-CB 4.27Å; D72-R89 PolarHBondContact N-O 2.9Å; D72-R89 WeakPolarHBondContact OD2-CB 3.47Å; R89-G94 WeakPolarHBondContact CD-O 3.27Å; R89-G94 VanDerWaalsContact CG-O 3.27Å; R89-G94 WeakPolarHBondContact CG-O 3.36Å; R89-G94 PolarHBondContact NH1-O 3.41Å; R89-K95 CarbonylContact C-O 2.92Å; R89-K95 VanDerWaalsContact CA-O 3.29Å; R89-K95 WeakPolarHBondContact CA-O 3.29Å; R89-K95 WeakPolarHBondContact CG-O 3.37Å
90H90.8Very high87.3Confident26 Ų2650.3 Ų50.312%0.1229%0.287CS..BIsolated β-bridgetrans-81.6132.7171.2174.6-108.3000109.3N70 F71 I92 D93 G94 K95 Y97N70-H90 PolarHBondContact O-CD2 2.99Å; F71-H90 HydrophobicContact CD1-CB 3.71Å; F71-H90 HydrophobicContact CE1-CB 3.64Å; F71-H90 AromaticContact CE1-CD2 3.68Å; F71-H90 AromaticContact CE1-CG 4Å; F71-H90 AromaticContact CZ-CD2 3.72Å; H90-I92 PolarHBondContact O-N 3.15Å; H90-D93 WeakPolarHBondContact CB-OD1 3.49Å; H90-D93 IonicContact CE1-OD1 3.5Å; H90-D93 IonicContact CG-OD1 2.67Å; H90-D93 VanDerWaalsContact ND1-CG 3.35Å; H90-D93 IonicContact ND1-OD1 2.68Å; H90-D93 PolarHBondContact ND1-OD1 3.27Å; H90-D93 IonicContact ND1-OD2 2.94Å; H90-G94 VanDerWaalsContact O-CA 3.31Å; H90-G94 WeakPolarHBondContact O-CA 3.28Å; H90-G94 PolarHBondContact O-N 3.16Å; H90-K95 PolarHBondContact N-O 3.13Å; H90-Y97 HydrophobicContact CB-CD2 3.81Å; H90-Y97 HydrophobicContact CB-CE2 3.79Å
91K90.2Very high88.2Confident103 Ų10348.3 Ų48.345%0.44826%0.264SS..THydrogen-bonded Turntrans-71.4-29.7-165.1-75.5170.9166.6166.10113.9L68 D69 N70 F71L68-K91 PolarHBondContact O-NZ 2.82Å; D69-K91 WeakPolarHBondContact O-CD 3.21Å; N70-K91 WeakPolarHBondContact O-CB 3.37Å; N70-K91 PolarHBondContact O-N 3.47Å; F71-K91 WeakPolarHBondContact O-CE 3.46Å; F71-K91 PolarHBondContact O-NZ 3.49Å; F71-K91 VanDerWaalsContact O-NZ 3.08Å
92I88.9Confident88.9Confident135 Ų13545 Ų4569%0.69223%0.226SC*.THydrogen-bonded Turntrans-85.6-42.8-173.1-56.4174000111.6H90H90-I92 PolarHBondContact O-N 3.15Å
93D91.4Very high89.2Confident65 Ų6544.7 Ų44.735%0.34823%0.231SC..THydrogen-bonded Turntrans-97.9-6.1-178.874.6-16.9000113.4H90 K95 Y97H90-D93 WeakPolarHBondContact CB-OD1 3.49Å; H90-D93 IonicContact CE1-OD1 3.5Å; H90-D93 IonicContact CG-OD1 2.67Å; H90-D93 VanDerWaalsContact ND1-CG 3.35Å; H90-D93 IonicContact ND1-OD1 2.68Å; H90-D93 PolarHBondContact ND1-OD1 3.27Å; H90-D93 IonicContact ND1-OD2 2.94Å; D93-K95 PolarHBondContact O-N 3.42Å; D93-K95 VanDerWaalsContact O-N 3.13Å; D93-K95 PolarHBondContact OD1-N 2.82Å; D93-K95 VanDerWaalsContact OD1-N 3.13Å; D93-Y97 WeakPolarHBondContact OD2-CE2 3.35Å; D93-Y97 PolarHBondContact OD2-OH 3.01Å
94G90.6Very high88.6Confident21 Ų2145 Ų4522%0.21623%0.233CC..  trans67.74.4179.800000114.7R89 H90R89-G94 WeakPolarHBondContact CD-O 3.27Å; R89-G94 VanDerWaalsContact CG-O 3.27Å; R89-G94 WeakPolarHBondContact CG-O 3.36Å; R89-G94 PolarHBondContact NH1-O 3.41Å; H90-G94 VanDerWaalsContact O-CA 3.31Å; H90-G94 WeakPolarHBondContact O-CA 3.28Å; H90-G94 PolarHBondContact O-N 3.16Å
95K91.6Very high87.3Confident121 Ų12149.3 Ų49.353%0.52627%0.265SS..  trans-86.6150.3-173.9-69.8179-1781770111.8R89 H90 D93 Y97R89-K95 CarbonylContact C-O 2.92Å; R89-K95 VanDerWaalsContact CA-O 3.29Å; R89-K95 WeakPolarHBondContact CA-O 3.29Å; R89-K95 WeakPolarHBondContact CG-O 3.37Å; H90-K95 PolarHBondContact N-O 3.13Å; D93-K95 PolarHBondContact O-N 3.42Å; D93-K95 VanDerWaalsContact O-N 3.13Å; D93-K95 PolarHBondContact OD1-N 2.82Å; D93-K95 VanDerWaalsContact OD1-N 3.13Å; K95-Y97 HydrophobicContact CB-CD2 4.34Å; K95-Y97 HydrophobicContact CB-CE2 3.53Å; K95-Y97 WeakPolarHBondContact O-CD2 3.35Å
96V93Very high85.8Confident49 Ų4955.1 Ų55.130%0.29728%0.283SS..EExtended strand (participates in β ladder)trans-94.9130179.1-166.80000109.7K87 T88 L271K87-V96 HydrophobicContact CD-CG1 4.37Å; K87-V96 HydrophobicContact CG-CG1 3.8Å; T88-V96 CarbonylContact O-C 3.51Å; T88-V96 WeakPolarHBondContact O-CA 3.34Å; T88-V96 WeakPolarHBondContact O-CG1 3.44Å; V96-L271 HydrophobicContact CB-CD2 4.39Å; V96-L271 HydrophobicContact CG1-CD2 3.6Å
97Y94.3Very high84.1Confident17 Ų1756.5 Ų56.57%0.06730%0.298CS..EExtended strand (participates in β ladder)trans-128.7160.9-175.9-65.1-76.8000111.1K87 T88 H90 D93 K95 I133 Q268 L269K87-Y97 WeakPolarHBondContact CA-O 3.29Å; T88-Y97 PolarHBondContact N-O 3.39Å; T88-Y97 PolarHBondContact O-N 2.94Å; H90-Y97 HydrophobicContact CB-CD2 3.81Å; H90-Y97 HydrophobicContact CB-CE2 3.79Å; D93-Y97 WeakPolarHBondContact OD2-CE2 3.35Å; D93-Y97 PolarHBondContact OD2-OH 3.01Å; K95-Y97 HydrophobicContact CB-CD2 4.34Å; K95-Y97 HydrophobicContact CB-CE2 3.53Å; K95-Y97 WeakPolarHBondContact O-CD2 3.35Å; Y97-I133 HydrophobicContact CD1-CG1 3.99Å; Y97-I133 HydrophobicContact CE1-CD1 4.07Å; Y97-I133 HydrophobicContact CE1-CG1 3.89Å; Y97-I133 HydrophobicContact CE1-CG2 4.45Å; Y97-Q268 HydrophobicContact CD1-CG 4.06Å; Y97-Q268 VanDerWaalsContact CE2-NE2 3.26Å; Y97-Q268 HydrophobicContact CG-CG 3.95Å; Y97-Q268 VanDerWaalsContact CG-NE2 3.28Å; Y97-L269 WeakPolarHBondContact CD1-O 3.29Å
98A93.8Very high82.4Confident9 Ų960.9 Ų60.97%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-95.4136.7162.100000109.1I77 V85 Y86 Q268 L269 L271I77-A98 HydrophobicContact CD1-CB 4.49Å; V85-A98 HydrophobicContact CG1-CB 4.05Å; Y86-A98 CarbonylContact O-C 3.17Å; Y86-A98 WeakPolarHBondContact O-CA 3.38Å; A98-Q268 WeakPolarHBondContact O-CA 3.47Å; A98-L269 HydrophobicContact CB-CB 4.34Å; A98-L269 PolarHBondContact N-O 3.17Å; A98-L269 PolarHBondContact O-N 3.39Å; A98-L271 HydrophobicContact CB-CD1 4.07Å
99I91.9Very high80.9Confident0 Ų063.6 Ų63.60%033%0.326CS..EExtended strand (participates in β ladder)trans-116.5111.7171.3-61.9-177.4000108.1L67 F71 L74 V85 Y86 T88 K101 W136 C266 I267L67-I99 HydrophobicContact CD2-CD1 3.57Å; F71-I99 HydrophobicContact CD1-CD1 3.89Å; F71-I99 HydrophobicContact CD2-CD1 4.36Å; F71-I99 HydrophobicContact CE1-CD1 3.87Å; F71-I99 HydrophobicContact CE2-CD1 4.35Å; F71-I99 HydrophobicContact CG-CD1 4.14Å; F71-I99 HydrophobicContact CZ-CD1 4.11Å; L74-I99 HydrophobicContact CD2-CD1 4.2Å; V85-I99 WeakPolarHBondContact CA-O 3.48Å; Y86-I99 PolarHBondContact N-O 3.06Å; Y86-I99 PolarHBondContact O-N 3.5Å; T88-I99 HydrophobicContact CG2-CD1 3.43Å; T88-I99 VanDerWaalsContact CG2-CD1 3.43Å; T88-I99 HydrophobicContact CG2-CG1 3.88Å; I99-K101 HydrophobicContact CG2-CG 4.42Å; I99-W136 HydrophobicContact CD1-CH2 3.93Å; I99-W136 HydrophobicContact CD1-CZ2 4.18Å; I99-W136 HydrophobicContact CG1-CH2 4.44Å; I99-W136 HydrophobicContact CG2-CZ2 4.48Å; I99-C266 HydrophobicContact CG2-CB 4.15Å; I99-I267 CarbonylContact C-O 3.58Å; I99-I267 VanDerWaalsContact CA-O 3.29Å; I99-I267 WeakPolarHBondContact CA-O 3.34Å
100K89.3Confident79.1Confident12 Ų1260.9 Ų60.95%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-87.1118.9171.6-176.3176.8176.3-169.30109F82 V85 I102 E117 C266 I267 D421F82-K100 WeakPolarHBondContact O-CE 3.34Å; V85-K100 HydrophobicContact CG2-CB 4.22Å; V85-K100 HydrophobicContact CG2-CG 4.12Å; K100-I102 HydrophobicContact CD-CD1 4.29Å; K100-I102 HydrophobicContact CD-CG1 4.37Å; K100-I102 HydrophobicContact CG-CG1 4.07Å; K100-E117 WeakPolarHBondContact CD-OE1 3.5Å; K100-E117 WeakPolarHBondContact CE-OE1 3.35Å; K100-E117 IonicContact NZ-OE1 3.13Å; K100-E117 PolarHBondContact NZ-OE1 2.89Å; K100-E117 IonicContact NZ-OE2 2.7Å; K100-E117 PolarHBondContact NZ-OE2 3.07Å; K100-C266 CarbonylContact O-C 3.5Å; K100-C266 WeakPolarHBondContact O-CA 3.48Å; K100-I267 HydrophobicContact CB-CB 4.43Å; K100-I267 PolarHBondContact N-O 3.42Å; K100-I267 PolarHBondContact O-N 3.46Å; K100-D421 IonicContact NZ-OD1 3.22Å; K100-D421 PolarHBondContact NZ-OD1 2.73Å
101K87.4Confident77.7Confident9 Ų961.4 Ų61.44%0.03932%0.319CS..EExtended strand (participates in β ladder)trans-99.4110.8175-73.5-165.7168.7-169.90110.2L67 G83 T84 Y86 I99 E140 V264 L265L67-K101 VanDerWaalsContact CD1-CE 3.48Å; G83-K101 VanDerWaalsContact CA-O 3.3Å; G83-K101 WeakPolarHBondContact CA-O 3.44Å; T84-K101 PolarHBondContact N-O 3.44Å; T84-K101 PolarHBondContact O-N 3.16Å; Y86-K101 HydrophobicContact CD2-CD 4.23Å; Y86-K101 HydrophobicContact CD2-CG 4.22Å; Y86-K101 HydrophobicContact CE2-CB 4.3Å; Y86-K101 HydrophobicContact CE2-CD 3.74Å; Y86-K101 HydrophobicContact CE2-CG 4.04Å; I99-K101 HydrophobicContact CG2-CG 4.42Å; K101-E140 WeakPolarHBondContact CD-OE1 3.37Å; K101-E140 IonicContact NZ-OE1 2.67Å; K101-E140 PolarHBondContact NZ-OE1 3.23Å; K101-V264 HydrophobicContact CB-CG1 3.87Å; K101-V264 HydrophobicContact CD-CG1 4.32Å; K101-V264 HydrophobicContact CG-CG1 4.2Å; K101-L265 CarbonylContact C-O 3.58Å; K101-L265 WeakPolarHBondContact CA-O 3.35Å
102I81Confident76.3Confident13 Ų1362.3 Ų62.37%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-101.3122.4179.6-46.1-169.7000109.4F82 K100 E117 V264 L265 I267F82-I102 WeakPolarHBondContact O-CG1 3.48Å; K100-I102 HydrophobicContact CD-CD1 4.29Å; K100-I102 HydrophobicContact CD-CG1 4.37Å; K100-I102 HydrophobicContact CG-CG1 4.07Å; I102-E117 VanDerWaalsContact CD1-OE2 3.22Å; I102-E117 WeakPolarHBondContact CD1-OE2 3.45Å; I102-V264 WeakPolarHBondContact O-CA 3.44Å; I102-L265 HydrophobicContact CB-CB 4.29Å; I102-L265 HydrophobicContact CD1-CD2 4.27Å; I102-L265 PolarHBondContact N-O 3.16Å; I102-L265 PolarHBondContact O-N 2.9Å; I102-I267 HydrophobicContact CD1-CD1 3.8Å
103S74.5Confident74.9Confident46 Ų4661 Ų6132%0.32232%0.319SS..  trans-129.1101.6179.8-64.40000110R262 V264S103-R262 PolarHBondContact OG-NH1 2.89Å; S103-V264 WeakPolarHBondContact OG-CG2 3.32Å
104G64.9Low73.6Confident26 Ų2658.1 Ų58.127%0.26830%0.304SS..  trans-79.4154.1174.800000112.5R106 T110G104-R106 PolarHBondContact O-N 3.44Å; G104-T110 WeakPolarHBondContact CA-OG1 3.35Å; G104-T110 PolarHBondContact N-OG1 3.18Å; G104-T110 PolarHBondContact O-OG1 3.03Å
105S58.9Low72.6Confident130 Ų13064.6 Ų64.691%0.90932%0.322SS*.SBendtrans-64.9-22.2178.6-45.20000113.3
106R57.2Low71.4Confident163 Ų16361.1 Ų61.162%0.61531%0.313SS*.SBendtrans-131.6145.5168.8-55.3-172.5-178.796.2-1.7110.2G104 R108 D109 T110G104-R106 PolarHBondContact O-N 3.44Å; R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 3.11Å; R106-D109 HydrophobicContact CB-CB 4.31Å; R106-D109 WeakPolarHBondContact CB-OD2 3.44Å; R106-D109 WeakPolarHBondContact CG-OD2 3.4Å; R106-D109 IonicContact NH1-OD2 3.72Å; R106-D109 PolarHBondContact NH1-OD2 2.69Å; R106-D109 PolarHBondContact O-N 3.25Å; R106-D109 VanDerWaalsContact O-N 3.14Å; R106-T110 PolarHBondContact O-N 3.42Å; R106-T110 PolarHBondContact O-OG1 3.48Å; R106-T110 VanDerWaalsContact O-OG1 3.04Å
107P56.8Low70.5Confident76 Ų7659 Ų5949%0.49430%0.3SS..Hα-helixtrans-55.7-34.3179.6-2936.2000115.5L111 P263P107-L111 WeakPolarHBondContact O-CB 3.48Å; P107-L111 VanDerWaalsContact O-CG 3.28Å; P107-L111 WeakPolarHBondContact O-CG 3.29Å; P107-L111 PolarHBondContact O-N 3.03Å; P107-L111 VanDerWaalsContact O-N 3.15Å; P107-P263 HydrophobicContact CB-CG 4.03Å; P107-P263 HydrophobicContact CG-CG 4.35Å
108R57.8Low70Confident192 Ų19259.5 Ų59.573%0.72530%0.304SS*.Hα-helixtrans-67.2-51.3174.7-88.7-168.7176.5-170.9-1.6111.7R106 T110 L111 E112R106-R108 VanDerWaalsContact C-N 3.28Å; R106-R108 PolarHBondContact O-N 3.11Å; R108-T110 VanDerWaalsContact C-N 3.25Å; R108-T110 PolarHBondContact O-N 2.9Å; R108-L111 PolarHBondContact O-N 3.37Å; R108-E112 PolarHBondContact O-N 2.79Å
109D61.1Low69.4Low62 Ų6264.1 Ų64.133%0.33232%0.321SS..Hα-helixtrans-58.1-40.5-179.5-48.3-1.9000110.2R106 L113R106-D109 HydrophobicContact CB-CB 4.31Å; R106-D109 WeakPolarHBondContact CB-OD2 3.44Å; R106-D109 WeakPolarHBondContact CG-OD2 3.4Å; R106-D109 IonicContact NH1-OD2 3.72Å; R106-D109 PolarHBondContact NH1-OD2 2.69Å; R106-D109 PolarHBondContact O-N 3.25Å; R106-D109 VanDerWaalsContact O-N 3.14Å; D109-L113 PolarHBondContact O-N 3.45Å
110T55.7Low69Low4 Ų464.2 Ų64.23%0.02532%0.321CS..Hα-helixtrans-56.4-54.9169.6-42.70000111.2G104 R106 R108 E112 A114G104-T110 WeakPolarHBondContact CA-OG1 3.35Å; G104-T110 PolarHBondContact N-OG1 3.18Å; G104-T110 PolarHBondContact O-OG1 3.03Å; R106-T110 PolarHBondContact O-N 3.42Å; R106-T110 PolarHBondContact O-OG1 3.48Å; R106-T110 VanDerWaalsContact O-OG1 3.04Å; R108-T110 VanDerWaalsContact C-N 3.25Å; R108-T110 PolarHBondContact O-N 2.9Å; T110-E112 PolarHBondContact O-N 3.01Å; T110-A114 WeakPolarHBondContact O-CA 3.31Å; T110-A114 WeakPolarHBondContact O-CB 3.36Å; T110-A114 PolarHBondContact O-N 3.26Å
111L60.8Low68.9Low37 Ų3763.8 Ų63.819%0.19432%0.319CS..Hα-helixtrans-67.9-33.5-170.8-76.3169.5000113.8P107 R108 R115 L137P107-L111 WeakPolarHBondContact O-CB 3.48Å; P107-L111 VanDerWaalsContact O-CG 3.28Å; P107-L111 WeakPolarHBondContact O-CG 3.29Å; P107-L111 PolarHBondContact O-N 3.03Å; P107-L111 VanDerWaalsContact O-N 3.15Å; R108-L111 PolarHBondContact O-N 3.37Å; L111-R115 VanDerWaalsContact O-CB 3.25Å; L111-R115 WeakPolarHBondContact O-CB 3.15Å; L111-R115 WeakPolarHBondContact O-CD 3.29Å; L111-R115 WeakPolarHBondContact O-CG 3.46Å; L111-R115 PolarHBondContact O-N 3.32Å; L111-L137 HydrophobicContact CD2-CD1 4.35Å; L111-L137 HydrophobicContact CD2-CD2 4.28Å
112E61.9Low68.8Low122 Ų12266.3 Ų66.357%0.5734%0.338SS*.Hα-helixtrans-75.4-43.9-180-72178.3-163.200111.9R108 T110 R115 S116R108-E112 PolarHBondContact O-N 2.79Å; T110-E112 PolarHBondContact O-N 3.01Å; E112-R115 PolarHBondContact O-N 2.92Å; E112-S116 PolarHBondContact O-N 3.34Å; E112-S116 VanDerWaalsContact O-N 3.14Å
113L58.7Low69.1Low107 Ų10771.2 Ų71.256%0.5636%0.356SS*.Hα-helixtrans-66.1-46.2173.3-67.2171.3000111.3D109 R115 S116 E117D109-L113 PolarHBondContact O-N 3.45Å; L113-R115 VanDerWaalsContact C-N 3.31Å; L113-R115 PolarHBondContact O-N 3.38Å; L113-S116 PolarHBondContact O-N 2.97Å; L113-S116 VanDerWaalsContact O-N 3.13Å; L113-E117 PolarHBondContact O-N 3.3Å
114A64.3Low69.8Low4 Ų469.5 Ų69.53%0.03334%0.343CS..Hα-helixtrans-53.1-44.9173.400000112.7T110 E117 V118 L265T110-A114 WeakPolarHBondContact O-CA 3.31Å; T110-A114 WeakPolarHBondContact O-CB 3.36Å; T110-A114 PolarHBondContact O-N 3.26Å; A114-E117 PolarHBondContact O-N 3.14Å; A114-V118 WeakPolarHBondContact O-CB 3.4Å; A114-V118 WeakPolarHBondContact O-CG2 3.49Å; A114-V118 PolarHBondContact O-N 2.91Å; A114-L265 HydrophobicContact CB-CB 4.17Å; A114-L265 HydrophobicContact CB-CD2 3.4Å; A114-L265 HydrophobicContact CB-CG 4.26Å
115R69.1Low70.9Confident158 Ų15873.9 Ų73.960%0.59636%0.361SS*.Hα-helixtrans-63.7-43.8177.1-82.6167.9179.7152.5-1.8111.7L111 E112 L113 Y119L111-R115 VanDerWaalsContact O-CB 3.25Å; L111-R115 WeakPolarHBondContact O-CB 3.15Å; L111-R115 WeakPolarHBondContact O-CD 3.29Å; L111-R115 WeakPolarHBondContact O-CG 3.46Å; L111-R115 PolarHBondContact O-N 3.32Å; E112-R115 PolarHBondContact O-N 2.92Å; L113-R115 VanDerWaalsContact C-N 3.31Å; L113-R115 PolarHBondContact O-N 3.38Å; R115-Y119 WeakPolarHBondContact O-CB 3.47Å; R115-Y119 PolarHBondContact O-N 3.1Å
116S67.5Low72.4Confident48 Ų4870.1 Ų70.134%0.33633%0.329SS..Hα-helixtrans-62.7-45.1178.4-165.80000111.5E112 L113 T120E112-S116 PolarHBondContact O-N 3.34Å; E112-S116 VanDerWaalsContact O-N 3.14Å; L113-S116 PolarHBondContact O-N 2.97Å; L113-S116 VanDerWaalsContact O-N 3.13Å; S116-T120 WeakPolarHBondContact O-CB 3.29Å; S116-T120 PolarHBondContact O-N 3.17Å; S116-T120 PolarHBondContact O-OG1 3.38Å
117E74.2Confident73.9Confident5 Ų565.5 Ų65.52%0.02332%0.318CS..Hα-helixtrans-64.6-55.3179.2-169.6173.215500111.2K100 I102 L113 A114 Y119 T120 M121 I267 G423K100-E117 WeakPolarHBondContact CD-OE1 3.5Å; K100-E117 WeakPolarHBondContact CE-OE1 3.35Å; K100-E117 IonicContact NZ-OE1 3.13Å; K100-E117 PolarHBondContact NZ-OE1 2.89Å; K100-E117 IonicContact NZ-OE2 2.7Å; K100-E117 PolarHBondContact NZ-OE2 3.07Å; I102-E117 VanDerWaalsContact CD1-OE2 3.22Å; I102-E117 WeakPolarHBondContact CD1-OE2 3.45Å; L113-E117 PolarHBondContact O-N 3.3Å; A114-E117 PolarHBondContact O-N 3.14Å; E117-Y119 PolarHBondContact O-N 3.33Å; E117-T120 PolarHBondContact O-N 3.44Å; E117-M121 HydrophobicContact CG-CG 4.34Å; E117-M121 HydrophobicContact CG-SD 3.88Å; E117-M121 WeakPolarHBondContact O-CB 3.37Å; E117-M121 VanDerWaalsContact O-CG 3.23Å; E117-M121 WeakPolarHBondContact O-CG 3.31Å; E117-M121 PolarHBondContact O-N 3.16Å; E117-I267 HydrophobicContact CG-CD1 4.16Å; E117-G423 VanDerWaalsContact OE2-CA 3.31Å; E117-G423 WeakPolarHBondContact OE2-CA 3.31Å
118V82.9Confident75.7Confident26 Ų2662.2 Ų62.216%0.15830%0.296CS..Hα-helixtrans-61-43.2179.6171.20000111.8A114 M121 S122 Y132 S135 L265 I267A114-V118 WeakPolarHBondContact O-CB 3.4Å; A114-V118 WeakPolarHBondContact O-CG2 3.49Å; A114-V118 PolarHBondContact O-N 2.91Å; V118-M121 PolarHBondContact O-N 3.09Å; V118-S122 WeakPolarHBondContact O-CB 3.42Å; V118-S122 PolarHBondContact O-N 3.46Å; V118-S122 PolarHBondContact O-OG 2.91Å; V118-S122 VanDerWaalsContact O-OG 3.1Å; V118-Y132 HydrophobicContact CG1-CE2 4.08Å; V118-S135 WeakPolarHBondContact CG1-OG 3.33Å; V118-L265 HydrophobicContact CG2-CD1 4.42Å; V118-L265 HydrophobicContact CG2-CD2 3.5Å; V118-L265 HydrophobicContact CG2-CG 4.49Å; V118-I267 HydrophobicContact CG2-CD1 3.91Å; V118-I267 HydrophobicContact CG2-CG1 4.05Å
119Y82.5Confident77.3Confident107 Ų10753.2 Ų53.242%0.4226%0.263SS..Hα-helixtrans-62.1-46.7179.4179-100.8000111.4R115 E117 S122 R123 I427R115-Y119 WeakPolarHBondContact O-CB 3.47Å; R115-Y119 PolarHBondContact O-N 3.1Å; E117-Y119 PolarHBondContact O-N 3.33Å; Y119-S122 PolarHBondContact O-OG 3.29Å; Y119-R123 PolarHBondContact OH-NH1 3.2Å; Y119-R123 VanDerWaalsContact OH-NH1 3.15Å; Y119-I427 HydrophobicContact CD1-CD1 3.48Å; Y119-I427 VanDerWaalsContact CD1-CD1 3.48Å; Y119-I427 HydrophobicContact CE1-CD1 3.47Å; Y119-I427 VanDerWaalsContact CE1-CD1 3.47Å
120T83.1Confident78.7Confident1 Ų150.4 Ų50.41%0.00625%0.248CC..Hα-helixtrans-60.9-54.5176-51.40000110.3S116 E117 S122 R123 L124 V332 F422 A425 I427S116-T120 WeakPolarHBondContact O-CB 3.29Å; S116-T120 PolarHBondContact O-N 3.17Å; S116-T120 PolarHBondContact O-OG1 3.38Å; E117-T120 PolarHBondContact O-N 3.44Å; T120-S122 VanDerWaalsContact C-N 3.32Å; T120-S122 PolarHBondContact O-N 3.31Å; T120-R123 PolarHBondContact O-N 2.98Å; T120-L124 HydrophobicContact CG2-CD1 4.03Å; T120-L124 WeakPolarHBondContact O-CG 3.3Å; T120-V332 HydrophobicContact CG2-CG1 3.74Å; T120-V332 HydrophobicContact CG2-CG2 4.09Å; T120-F422 HydrophobicContact CG2-CB 4.34Å; T120-F422 HydrophobicContact CG2-CD1 4.48Å; T120-A425 HydrophobicContact CG2-CB 3.96Å; T120-I427 HydrophobicContact CG2-CG1 4.47Å
121M86Confident80.4Confident3 Ų355.8 Ų55.82%0.01527%0.268CS..Hα-helixtrans-61.5-36.1-177-69.6-16879.400113.6E117 V118 R123 L124 Y132 L269 F422E117-M121 HydrophobicContact CG-CG 4.34Å; E117-M121 HydrophobicContact CG-SD 3.88Å; E117-M121 WeakPolarHBondContact O-CB 3.37Å; E117-M121 VanDerWaalsContact O-CG 3.23Å; E117-M121 WeakPolarHBondContact O-CG 3.31Å; E117-M121 PolarHBondContact O-N 3.16Å; V118-M121 PolarHBondContact O-N 3.09Å; M121-R123 PolarHBondContact O-N 3.06Å; M121-L124 PolarHBondContact O-N 2.86Å; M121-Y132 HydrophobicContact CB-CD2 3.97Å; M121-Y132 HydrophobicContact CB-CG 4.27Å; M121-Y132 WeakPolarHBondContact O-CB 3.2Å; M121-L269 HydrophobicContact CE-CD1 4.08Å; M121-L269 HydrophobicContact CE-CD2 3.31Å; M121-L269 HydrophobicContact CE-CG 4.35Å; M121-L269 HydrophobicContact SD-CD2 4.28Å; M121-F422 HydrophobicContact CE-CD2 3.84Å; M121-F422 HydrophobicContact CE-CE2 4.16Å; M121-F422 HydrophobicContact CG-CB 3.93Å; M121-F422 HydrophobicContact CG-CD2 3.47Å; M121-F422 VanDerWaalsContact CG-CD2 3.47Å; M121-F422 HydrophobicContact CG-CE2 4.35Å; M121-F422 HydrophobicContact CG-CG 3.99Å; M121-F422 HydrophobicContact SD-CD2 3.92Å
122S86.6Confident81.8Confident63 Ų6356.4 Ų56.444%0.44127%0.268SS..Hα-helixtrans-67.8-18.5-179.669.60000114.6V118 Y119 T120V118-S122 WeakPolarHBondContact O-CB 3.42Å; V118-S122 PolarHBondContact O-N 3.46Å; V118-S122 PolarHBondContact O-OG 2.91Å; V118-S122 VanDerWaalsContact O-OG 3.1Å; Y119-S122 PolarHBondContact O-OG 3.29Å; T120-S122 VanDerWaalsContact C-N 3.32Å; T120-S122 PolarHBondContact O-N 3.31Å
123R87.5Confident83.2Confident115 Ų11552.7 Ų52.743%0.43425%0.252SS..Hα-helixtrans-95.1-19179.2-70.8-17754179.6-11.1113.6Y119 T120 M121 E330Y119-R123 PolarHBondContact OH-NH1 3.2Å; Y119-R123 VanDerWaalsContact OH-NH1 3.15Å; T120-R123 PolarHBondContact O-N 2.98Å; M121-R123 PolarHBondContact O-N 3.06Å; R123-E330 IonicContact NH2-OE2 2.67Å; R123-E330 PolarHBondContact NH2-OE2 2.81Å
124L89.1Confident84.8Confident10 Ų1050.1 Ų50.15%0.05224%0.24CC..  trans-88.8122.9-174.2-63.8172.9000111.1T120 M121 I129 Y326 L327 E330 V332 F422T120-L124 HydrophobicContact CG2-CD1 4.03Å; T120-L124 WeakPolarHBondContact O-CG 3.3Å; M121-L124 PolarHBondContact O-N 2.86Å; L124-I129 HydrophobicContact CB-CG2 4.1Å; L124-I129 HydrophobicContact CD1-CG2 4.44Å; L124-Y326 HydrophobicContact CB-CE1 4.15Å; L124-Y326 HydrophobicContact CD2-CD1 4.38Å; L124-Y326 HydrophobicContact CD2-CE1 3.67Å; L124-L327 HydrophobicContact CD1-CD2 3.47Å; L124-L327 VanDerWaalsContact CD1-CD2 3.47Å; L124-L327 HydrophobicContact CD2-CD2 3.8Å; L124-L327 HydrophobicContact CG-CD2 4.26Å; L124-E330 HydrophobicContact CD2-CB 3.95Å; L124-E330 HydrophobicContact CD2-CG 4.01Å; L124-V332 HydrophobicContact CD2-CG2 4.24Å; L124-F422 HydrophobicContact CD1-CD1 4.01Å; L124-F422 HydrophobicContact CD1-CE1 3.78Å; L124-F422 HydrophobicContact CD1-CE2 4.45Å; L124-F422 HydrophobicContact CD1-CG 4.47Å; L124-F422 HydrophobicContact CD1-CZ 4.02Å
125N88.1Confident85.8Confident119 Ų11951.4 Ų51.464%0.63625%0.249SC*.  trans-13997.7174.3-175.327.5000110.6Y326N125-Y326 PolarHBondContact N-OH 2.68Å
126H89.6Confident86.6Confident51 Ų5145.3 Ų45.324%0.23623%0.226CC..  trans-151.8148.2179.2179.8-111000110.4N128 I129 S322 Y326H126-N128 PolarHBondContact CE1-OD1 3.5Å; H126-N128 PolarHBondContact ND1-N 2.72Å; H126-N128 PolarHBondContact O-N 3.04Å; H126-N128 VanDerWaalsContact O-N 3.12Å; H126-I129 HydrophobicContact CB-CB 4.38Å; H126-I129 HydrophobicContact CB-CG1 3.92Å; H126-I129 PolarHBondContact O-N 3.11Å; H126-S322 PolarHBondContact CE1-OG 2.93Å; H126-Y326 HydrophobicContact CB-CD1 3.34Å; H126-Y326 HydrophobicContact CB-CD2 4.15Å; H126-Y326 HydrophobicContact CB-CE1 3.53Å; H126-Y326 HydrophobicContact CB-CE2 4.35Å; H126-Y326 HydrophobicContact CB-CG 3.66Å; H126-Y326 AromaticContact CG-CD1 3.91Å; H126-Y326 AromaticContact CG-CG 3.79Å
127V89.1Confident87.2Confident65 Ų6547.3 Ų47.339%0.39423%0.232SC..THydrogen-bonded Turntrans-59.3-28-176.466.80000112.9I416 K418V127-I416 HydrophobicContact CG2-CG2 4.24Å; V127-K418 WeakPolarHBondContact O-CE 3.29Å
128N93.8Very high87.3Confident7 Ų747.7 Ų47.74%0.03724%0.235CC..THydrogen-bonded Turntrans-98.720.4177.1-55.7119.1000115H126 Q319 V417 K418 I419H126-N128 PolarHBondContact CE1-OD1 3.5Å; H126-N128 PolarHBondContact ND1-N 2.72Å; H126-N128 PolarHBondContact O-N 3.04Å; H126-N128 VanDerWaalsContact O-N 3.12Å; N128-Q319 WeakPolarHBondContact CB-O 3.48Å; N128-Q319 VanDerWaalsContact CG-O 3.31Å; N128-Q319 PolarHBondContact ND2-OE1 2.97Å; N128-V417 WeakPolarHBondContact CA-O 3.32Å; N128-V417 WeakPolarHBondContact CB-O 3.4Å; N128-V417 PolarHBondContact ND2-O 3.24Å; N128-K418 WeakPolarHBondContact O-CA 3.41Å; N128-I419 PolarHBondContact O-N 3.46Å
129I91.5Very high86.7Confident3 Ų351.2 Ų51.22%0.01525%0.246CC..BIsolated β-bridgetrans-121143.9172-60.2-59.9000109.2L124 H126 R131 Y326 L327 I419 F422L124-I129 HydrophobicContact CB-CG2 4.1Å; L124-I129 HydrophobicContact CD1-CG2 4.44Å; H126-I129 HydrophobicContact CB-CB 4.38Å; H126-I129 HydrophobicContact CB-CG1 3.92Å; H126-I129 PolarHBondContact O-N 3.11Å; I129-R131 PolarHBondContact O-N 2.9Å; I129-Y326 HydrophobicContact CG1-CD1 3.82Å; I129-Y326 HydrophobicContact CG1-CE1 4.24Å; I129-L327 HydrophobicContact CD1-CD1 4.1Å; I129-L327 HydrophobicContact CD1-CD2 3.8Å; I129-L327 HydrophobicContact CD1-CG 3.82Å; I129-I419 HydrophobicContact CD1-CB 3.92Å; I129-I419 HydrophobicContact CD1-CD1 4.25Å; I129-I419 HydrophobicContact CD1-CG1 4.38Å; I129-F422 HydrophobicContact CD1-CZ 4.27Å; I129-F422 HydrophobicContact CG2-CE2 4.1Å; I129-F422 HydrophobicContact CG2-CZ 3.77Å
130V91.9Very high85.9Confident4 Ų447.9 Ų47.92%0.02423%0.234CC..PPolyproline II helixtrans-67.3118.7172.6172.60000109.7Y132 L269 L343 K418 I419 C420V130-Y132 PolarHBondContact O-N 2.86Å; V130-L269 HydrophobicContact CG1-CB 4.14Å; V130-L343 HydrophobicContact CG2-CD1 3.74Å; V130-L343 HydrophobicContact CG2-CG 4.33Å; V130-K418 HydrophobicContact CG2-CB 3.69Å; V130-I419 PolarHBondContact N-O 3.45Å; V130-C420 HydrophobicContact CB-CB 4.04Å; V130-C420 HydrophobicContact CG2-CB 3.52Å
131R90.3Very high84.8Confident116 Ų11651.1 Ų51.144%0.43825%0.246SC..PPolyproline II helixtrans-69.3121-175.8-168.9171.765100.30.9111.2I129 I133 E270I129-R131 PolarHBondContact O-N 2.9Å; R131-I133 HydrophobicContact CG-CD1 4.36Å; R131-I133 VanDerWaalsContact NH2-CD1 3.33Å; R131-E270 HydrophobicContact CB-CB 4.3Å; R131-E270 PolarHBondContact O-N 3.14Å; R131-E270 VanDerWaalsContact O-N 3.13Å
132Y91.3Very high83.4Confident50 Ų5054.4 Ų54.420%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-67.2134.8165.3174.3-93.2000110.3V118 M121 V130 S135 I267 L269V118-Y132 HydrophobicContact CG1-CE2 4.08Å; M121-Y132 HydrophobicContact CB-CD2 3.97Å; M121-Y132 HydrophobicContact CB-CG 4.27Å; M121-Y132 WeakPolarHBondContact O-CB 3.2Å; V130-Y132 PolarHBondContact O-N 2.86Å; Y132-S135 PolarHBondContact OH-N 3.12Å; Y132-S135 VanDerWaalsContact OH-N 3.15Å; Y132-S135 PolarHBondContact OH-OG 3.03Å; Y132-I267 HydrophobicContact CD2-CG2 3.83Å; Y132-I267 HydrophobicContact CE2-CG2 3.84Å; Y132-L269 HydrophobicContact CD2-CD2 4.44Å
133I90.9Very high81.3Confident45 Ų4555.6 Ų55.623%0.23127%0.271CS..EExtended strand (participates in β ladder)trans-104.9-59177.5-48.1-59.5000110Y97 R131 Q268Y97-I133 HydrophobicContact CD1-CG1 3.99Å; Y97-I133 HydrophobicContact CE1-CD1 4.07Å; Y97-I133 HydrophobicContact CE1-CG1 3.89Å; Y97-I133 HydrophobicContact CE1-CG2 4.45Å; R131-I133 HydrophobicContact CG-CD1 4.36Å; R131-I133 VanDerWaalsContact NH2-CD1 3.33Å; I133-Q268 HydrophobicContact CB-CB 4.22Å; I133-Q268 HydrophobicContact CB-CG 3.93Å; I133-Q268 VanDerWaalsContact CB-O 3.32Å; I133-Q268 WeakPolarHBondContact CB-O 3.36Å; I133-Q268 HydrophobicContact CG1-CG 4.17Å; I133-Q268 HydrophobicContact CG2-CG 4.24Å; I133-Q268 PolarHBondContact N-O 3.49Å
134T90.8Very high79.1Confident52 Ų5253.6 Ų53.632%0.31927%0.272SS..EExtended strand (participates in β ladder)trans-168173.3179.8-171.20000110.1W136 Q268T134-W136 HydrophobicContact CG2-CE3 4.18Å; T134-W136 HydrophobicContact CG2-CZ3 3.93Å; T134-Q268 HydrophobicContact CG2-CB 4.05Å; T134-Q268 VanDerWaalsContact CG2-OE1 3.31Å; T134-Q268 PolarHBondContact N-O 3.26Å; T134-Q268 PolarHBondContact O-N 2.85Å
135S87.1Confident76.5Confident31 Ų3159.8 Ų59.822%0.21730%0.3CS..EExtended strand (participates in β ladder)trans-148.9155.4172.659.60000112V118 Y132 C266V118-S135 WeakPolarHBondContact CG1-OG 3.33Å; Y132-S135 PolarHBondContact OH-N 3.12Å; Y132-S135 VanDerWaalsContact OH-N 3.15Å; Y132-S135 PolarHBondContact OH-OG 3.03Å; S135-C266 CarbonylContact C-O 3.6Å; S135-C266 WeakPolarHBondContact CA-O 3.32Å; S135-C266 VanDerWaalsContact CB-O 3.25Å; S135-C266 WeakPolarHBondContact CB-O 3.48Å
136W85.8Confident73.7Confident31 Ų3158.3 Ų58.312%0.11730%0.299CS..EExtended strand (participates in β ladder)trans-151.2163.7179.163.295.1000111.3Y66 L67 F71 I99 T134 C266 Q268Y66-W136 AromaticContact CD1-CD1 3.82Å; Y66-W136 AromaticContact CD1-CD2 3.7Å; Y66-W136 HydrophobicContact CD1-CD2 3.7Å; Y66-W136 AromaticContact CD1-CE2 3.4Å; Y66-W136 HydrophobicContact CD1-CE3 4.31Å; Y66-W136 AromaticContact CD1-CG 3.98Å; Y66-W136 HydrophobicContact CD1-CG 3.98Å; Y66-W136 HydrophobicContact CD1-CH2 4.43Å; Y66-W136 AromaticContact CD1-CZ2 3.82Å; Y66-W136 HydrophobicContact CD1-CZ2 3.82Å; Y66-W136 AromaticContact CD1-NE1 3.46Å; Y66-W136 AromaticContact CE1-CD2 3.56Å; Y66-W136 HydrophobicContact CE1-CD2 3.56Å; Y66-W136 AromaticContact CE1-CE2 3.61Å; Y66-W136 AromaticContact CE1-CE3 3.7Å; Y66-W136 HydrophobicContact CE1-CE3 3.7Å; Y66-W136 HydrophobicContact CE1-CG 4.14Å; Y66-W136 AromaticContact CE1-CH2 3.97Å; Y66-W136 HydrophobicContact CE1-CH2 3.97Å; Y66-W136 AromaticContact CE1-CZ2 3.83Å; Y66-W136 HydrophobicContact CE1-CZ2 3.83Å; Y66-W136 AromaticContact CE1-CZ3 3.9Å; Y66-W136 HydrophobicContact CE1-CZ3 3.9Å; L67-W136 HydrophobicContact CD2-CZ2 3.72Å; L67-W136 HydrophobicContact CG-CZ2 4.1Å; F71-W136 AromaticContact CE2-CH2 3.75Å; F71-W136 HydrophobicContact CE2-CH2 3.75Å; F71-W136 HydrophobicContact CE2-CZ2 4.05Å; F71-W136 AromaticContact CZ-CH2 3.7Å; F71-W136 HydrophobicContact CZ-CH2 3.7Å; F71-W136 HydrophobicContact CZ-CZ2 4.44Å; F71-W136 HydrophobicContact CZ-CZ3 4.31Å; I99-W136 HydrophobicContact CD1-CH2 3.93Å; I99-W136 HydrophobicContact CD1-CZ2 4.18Å; I99-W136 HydrophobicContact CG1-CH2 4.44Å; I99-W136 HydrophobicContact CG2-CZ2 4.48Å; T134-W136 HydrophobicContact CG2-CE3 4.18Å; T134-W136 HydrophobicContact CG2-CZ3 3.93Å; W136-C266 HydrophobicContact CD2-CB 3.82Å; W136-C266 HydrophobicContact CE3-CB 4.48Å; W136-C266 HydrophobicContact CG-CB 4.21Å; W136-C266 HydrophobicContact CH2-CB 4.29Å; W136-C266 HydrophobicContact CZ2-CB 3.58Å; W136-C266 PolarHBondContact N-O 3.41Å; W136-C266 PolarHBondContact O-N 3.22Å; W136-Q268 HydrophobicContact CH2-CB 4.13Å; W136-Q268 HydrophobicContact CZ3-CB 3.8Å
137L78.3Confident70.8Confident89 Ų8962.9 Ų62.947%0.46633%0.326SS..EExtended strand (participates in β ladder)trans-96.6128.6172.6-67170.9000110.2L111 V264 L265L111-L137 HydrophobicContact CD2-CD1 4.35Å; L111-L137 HydrophobicContact CD2-CD2 4.28Å; L137-V264 WeakPolarHBondContact CA-O 3.42Å; L137-L265 HydrophobicContact CD2-CB 4.26Å; L137-L265 HydrophobicContact CD2-CD1 4.05Å
138D76.4Confident67.9Low14 Ų1465.2 Ų65.28%0.07535%0.345CS..EExtended strand (participates in β ladder)trans-119.1-179.2170.8-146-37.3000110.3P263 V264D138-P263 WeakPolarHBondContact O-CA 3.47Å; D138-V264 PolarHBondContact N-O 2.84Å; D138-V264 PolarHBondContact O-N 3.27Å
139Y70.9Confident64.8Low100 Ų10073.6 Ų73.639%0.39238%0.384SS..EExtended strand (participates in β ladder)trans-137.3120.6-176.2-61.3-91.7000112.6R261 R262 P263Y139-R261 HydrophobicContact CD1-CB 4.37Å; Y139-R262 WeakPolarHBondContact CA-O 3.5Å; Y139-P263 HydrophobicContact CE1-CB 4.26Å
140E66.6Low61.8Low37 Ų3780.7 Ų80.717%0.17343%0.427CS..EExtended strand (participates in β ladder)trans-106145.7173.7-71.3-177.4-17600110.9K101 R261 R262 V264K101-E140 WeakPolarHBondContact CD-OE1 3.37Å; K101-E140 IonicContact NZ-OE1 2.67Å; K101-E140 PolarHBondContact NZ-OE1 3.23Å; E140-R261 CarbonylContact O-C 3.26Å; E140-R261 WeakPolarHBondContact O-CA 3.5Å; E140-R262 HydrophobicContact CB-CG 4.33Å; E140-R262 PolarHBondContact N-O 3.5Å; E140-R262 VanDerWaalsContact N-O 3.1Å; E140-R262 WeakPolarHBondContact O-CG 3.4Å; E140-R262 PolarHBondContact O-N 3.03Å; E140-R262 IonicContact OE2-CZ 3.21Å; E140-R262 IonicContact OE2-NH1 2.76Å; E140-R262 PolarHBondContact OE2-NH1 2.69Å; E140-R262 IonicContact OE2-NH2 3.98Å; E140-R262 PolarHBondContact OE2-NH2 3.35Å; E140-V264 HydrophobicContact CB-CG2 3.9Å; E140-V264 HydrophobicContact CG-CG2 3.82Å
141W59.5Low58.7Low69 Ų6985.2 Ų85.226%0.26146%0.458SS..EExtended strand (participates in β ladder)trans-92.2138178.2-60.984.2000110.4Q63 C259 I260 R261Q63-W141 VanDerWaalsContact CG-CD1 3.43Å; Q63-W141 VanDerWaalsContact CG-NE1 3.33Å; W141-C259 HydrophobicContact CB-CB 4.49Å; W141-C259 HydrophobicContact CD2-CB 4.38Å; W141-C259 HydrophobicContact CE3-CB 3.53Å; W141-C259 HydrophobicContact CZ3-CB 4.14Å; W141-I260 CarbonylContact C-O 2.81Å; W141-I260 WeakPolarHBondContact CA-O 3.47Å; W141-R261 HydrophobicContact CD2-CG 3.75Å; W141-R261 HydrophobicContact CE3-CG 3.75Å; W141-R261 HydrophobicContact CG-CG 4.44Å; W141-R261 HydrophobicContact CH2-CG 3.98Å; W141-R261 HydrophobicContact CZ2-CG 3.94Å; W141-R261 VanDerWaalsContact CZ2-NE 3.3Å; W141-R261 HydrophobicContact CZ3-CG 3.87Å
142I56.4Low55.6Low72 Ų7288 Ų8837%0.36948%0.482SS..EExtended strand (participates in β ladder)trans-113.7125170.6-54.6170.1000108.4C259 I260 R262I142-C259 CarbonylContact O-C 2.86Å; I142-C259 VanDerWaalsContact O-CA 3.31Å; I142-C259 WeakPolarHBondContact O-CA 3.4Å; I142-I260 PolarHBondContact N-O 3.33Å; I142-I260 PolarHBondContact O-N 3.22Å; I142-R262 HydrophobicContact CD1-CB 4.21Å; I142-R262 HydrophobicContact CD1-CG 3.88Å; I142-R262 HydrophobicContact CG1-CG 4.04Å
143S42.7Very low52.5Low88 Ų8889.9 Ų89.962%0.61550%0.502SS*.  trans-74.7116.9163.1-57.60000109.1E145S143-E145 PolarHBondContact O-N 2.84Å
144V40.8Very low49.3Very low73 Ų7396.1 Ų96.144%0.44254%0.536SS..  trans-85.795.5174.7-176.30000108.7I260V144-I260 HydrophobicContact CG2-CD1 3.67Å; V144-I260 HydrophobicContact CG2-CG1 4.02Å
145E35.5Very low46.3Very low139 Ų139100.1 Ų100.165%0.6555%0.554SS**  trans-72.2124.6166.9-68.9-172.316400109.6S143 N147S143-E145 PolarHBondContact O-N 2.84Å; E145-N147 VanDerWaalsContact C-N 3.33Å; E145-N147 PolarHBondContact O-N 3.4Å
146S28.3Very low43.3Very low88 Ų88103.5 Ų103.562%0.61557%0.574SS**  trans-8572.3-175.348.20000111.7S148S146-S148 PolarHBondContact O-N 3.39Å
147N29.7Very low40.4Very low148 Ų148106.7 Ų106.779%0.79160%0.601SS**  trans-75.590.1166.7-79.5-11.7000109.9E145 E149E145-N147 VanDerWaalsContact C-N 3.33Å; E145-N147 PolarHBondContact O-N 3.4Å; N147-E149 PolarHBondContact O-N 3.11Å; N147-E149 VanDerWaalsContact O-N 3.1Å
148S28.2Very low37.8Very low114 Ų114108 Ų10880%0.79761%0.613SS**  trans-75.684171.356.40000110.9S146S146-S148 PolarHBondContact O-N 3.39Å
149E29Very low35.4Very low183 Ų183114 Ų11486%0.85565%0.654SS**  trans-146.6125.9159-119167.9-132.800111.4N147 S151N147-E149 PolarHBondContact O-N 3.11Å; N147-E149 VanDerWaalsContact O-N 3.1Å; E149-S151 PolarHBondContact O-N 3.46Å
150V27.3Very low33.2Very low152 Ų152114.8 Ų114.892%0.92167%0.67SS**  trans-85.7106.4-173.3176.20000109.2
151S27.7Very low31.3Very low98 Ų98120.4 Ų120.469%0.68570%0.701SS**  trans-145.2127.1164.955.60000111.9E149 C153E149-S151 PolarHBondContact O-N 3.46Å; S151-C153 PolarHBondContact O-N 2.93Å
152N25.3Very low29.7Very low174 Ų174123.6 Ų123.693%0.9372%0.723SS**  trans-69.9119.1176.2-75.3-41.2000110.2
153C25.5Very low28.3Very low90 Ų90129.4 Ų129.461%0.60874%0.741SS**  trans-140.7104.5164.843.80000111S151 L155S151-C153 PolarHBondContact O-N 2.93Å; C153-L155 VanDerWaalsContact C-N 3.35Å; C153-L155 HydrophobicContact CB-CD1 3.76Å; C153-L155 PolarHBondContact O-N 3.33Å; C153-L155 VanDerWaalsContact O-N 3.11Å
154N24.2Very low27.5Very low177 Ų177132.8 Ų132.895%0.94775%0.752SS**  trans-69.997.1155.9-70.5-34.3000106.8
155L26.9Very low26.9Very low135 Ų135136 Ų13671%0.70777%0.772SS**  trans-127.1121.7169.9-99.795.2000111.1C153C153-L155 VanDerWaalsContact C-N 3.35Å; C153-L155 HydrophobicContact CB-CD1 3.76Å; C153-L155 PolarHBondContact O-N 3.33Å; C153-L155 VanDerWaalsContact O-N 3.11Å
156T23.5Very low26.5Very low103 Ų103138 Ų13863%0.63278%0.781SS**  trans-53.4160.9145.243.10000111.1
157S24.8Very low26.4Very low98 Ų98139.4 Ų139.469%0.68579%0.788SS**SBendtrans78.5139.1168.977.30000119.7
158T23.6Very low26.4Very low116 Ų116137.5 Ų137.571%0.71279%0.786SS**  trans56.191.9156.647.50000119.3
159C26.8Very low26.4Very low140 Ų140137.9 Ų137.995%0.94678%0.784SS**  trans-94.466.9154.5-66.50000110.8N161C159-N161 PolarHBondContact O-N 3.05Å
160T24Very low26.3Very low117 Ų117136.2 Ų136.272%0.71878%0.779SS**  trans-70.6115.3160.948.90000108.3
161N28.2Very low26.2Very low154 Ų154137.5 Ų137.582%0.82478%0.777SS**  trans-140.7115.4159.2-102.7-25.2000110.9C159C159-N161 PolarHBondContact O-N 3.05Å
162N25.1Very low26Very low137 Ų137139 Ų13973%0.73378%0.778SS**  trans-42.1143.4172.8-49.1-65.3000112.4
163Y27Very low26.3Very low193 Ų193139.2 Ų139.276%0.75778%0.777SS**  -157.7119.2122.1-82.9-58.8000111.6
164L26.3Very low26.4Very low159 Ų159142.6 Ų142.683%0.83278%0.781SS**  trans61.180.5148-61.1162.7000118.5
165T27.6Very low26.5Very low140 Ų140141.2 Ų141.286%0.85977%0.769SS**PPolyproline II helixtrans-78.8152.5143.145.30000110.5
166H27Very low26.7Very low182 Ų182142.5 Ų142.584%0.84378%0.775SS**PPolyproline II helixtrans-64.1151.8-174.4-91.9-100.2000114
167P25.6Very low27Very low118 Ų118145.4 Ų145.477%0.76678%0.779SS**PPolyproline II helixtrans-90.6124.5-178.534.2-32.4000113.2
168S30.1Very low27.2Very low107 Ų107146.4 Ų146.475%0.74879%0.786SS**  trans-160.4128.6158.137.20000113
169T29.3Very low27.4Very low123 Ų123150.8 Ų150.876%0.75579%0.789SS**  trans70.6103.3169.2-6.20000115.4
170I25.5Very low27.5Very low148 Ų148149.6 Ų149.676%0.75977%0.773SS**  58.8110.966.4-54.5168.6000109.6
171M26.2Very low27.8Very low178 Ų178150.4 Ų150.488%0.87777%0.773SS**  -144.1166.950.8-77.9-162.6-123.100116.6
172N24.3Very low27.7Very low130 Ų130154 Ų15470%0.69578%0.776SS**  trans-59158.5172-55.9-83.4000115.8
173I30.7Very low27.9Very low178 Ų178154.4 Ų154.491%0.91378%0.783SS**  -153.4149.9119.7-95.4146.5000108.8
174K27.9Very low27.9Very low161 Ų161150.9 Ų150.970%0.778%0.783SS**  trans-119.2151.2-163-70.8177175.2174.70114.2
175H26.7Very low27.9Very low149 Ų149149.4 Ų149.469%0.6978%0.781SS**  trans61.9146.2157.9-71-59.4000116.6
176I30.8Very low27.8Very low161 Ų161151.8 Ų151.883%0.82678%0.779SS**  -153.4115.760.2-76.2157.4000107.2
177K28.8Very low27.8Very low165 Ų165149.1 Ų149.172%0.71778%0.781SS**  61.1126.490-80.7-172178.9-179.80117.3
178S30.4Very low28Very low119 Ų119148.2 Ų148.283%0.83278%0.777SS**  trans78.4142.8143.1179.10000119.3
179R26.9Very low27.9Very low207 Ų207151.8 Ų151.878%0.78178%0.78SS**  cis-176.7156.2-22.9-159.1-171170.9159-0.7108.7
180N29.5Very low27.6Very low115 Ų115152.5 Ų152.562%0.61578%0.779SS**  trans83.6140.1149.7-78.7-10.1000123.5
181N30.5Very low27.7Very low134 Ų134151.7 Ų151.772%0.71778%0.781SS**  trans75.5100.8153.6-57-11.9000118.3
182R26.2Very low27.7Very low231 Ų231149.8 Ų149.887%0.87277%0.774SS**  66.5106.266.3-69.3-172.5172.9-170-1114.5
183T27.6Very low27.7Very low144 Ų144150.3 Ų150.388%0.88378%0.776SS**  -171.5159.4102.228.40000111.6
184P28.1Very low27.6Very low119 Ų119146.9 Ų146.977%0.77376%0.763SS**  trans-118.8153.9-159.340.1-28.6000115.8
185V26.6Very low27.6Very low129 Ų129145 Ų14578%0.78277%0.768SS**  trans-142111.1168.3-175.70000112.8
186K25.7Very low27.7Very low190 Ų190145 Ų14583%0.82677%0.773SS**  trans47.5102.3149-56.4171.9-176.1177.20119.8
187S26.5Very low27.6Very low126 Ų126147 Ų14788%0.88178%0.775SS**  trans-115.7128.1136.159.90000108.8
188S30Very low27.5Very low98 Ų98148.5 Ų148.569%0.68578%0.782SS**  trans-104.4127.6-168.1-69.50000112.8
189F26.7Very low27.2Very low183 Ų183149.1 Ų149.180%0.80378%0.776SS**  trans42.3114142.7-70.4-95.8000119.1
190N25Very low27.3Very low138 Ų138145.3 Ų145.374%0.73877%0.771SS**  50.4103.776.1-76.4-25.8000115.4
191T27.2Very low27.1Very low131 Ų131144.3 Ų144.380%0.80477%0.774SS**  trans-146.291.1145.2-57.30000106.2
192L25.4Very low26.8Very low137 Ų137149.8 Ų149.872%0.71778%0.784SS**  55.6107.897.6-69.4167.7000113.2
193L25.5Very low26.8Very low141 Ų141146.2 Ų146.274%0.73878%0.778SS**  trans-151.6107.6137.8-110.9170.5000107.7K633L193-K633 VanDerWaalsContact CB-NZ 3.33Å
194T28.2Very low26.9Very low106 Ų106146.7 Ų146.765%0.6577%0.773SS**PPolyproline II helixtrans-71.4167.5-173.233.10000113.1
195P26.6Very low26.7Very low123 Ų123146.9 Ų146.980%0.79977%0.768SS**PPolyproline II helixtrans-82.7128.5-169.832-33.8000112.2
196N28.9Very low26.9Very low147 Ų147149.9 Ų149.979%0.78677%0.773SS**PPolyproline II helixtrans-100.5120164.4-85.2-6.4000110.1
197K28.4Very low26.9Very low203 Ų203147.7 Ų147.788%0.88377%0.771SS**PPolyproline II helixtrans-57.2136.1153.7-64.3174.7176.5179.50107.8
198F27.3Very low27.3Very low197 Ų197146.9 Ų146.986%0.86476%0.762SS**  trans-132.3127.8149.3-111.9-85.6000108.4
199N24.2Very low27.3Very low132 Ų132146 Ų14671%0.70676%0.761SS**  trans-98.5-177.1-179.1-145.755.9000108.3
200D28.4Very low27.6Very low127 Ų127143.1 Ų143.168%0.67976%0.759SS**  trans85.9100.5155.4-50.1-30.4000119.3
201S25.1Very low27.8Very low95 Ų95143.9 Ų143.966%0.66476%0.763SS**  66.8116.7124.5660000121.5
202W25.9Very low28Very low248 Ų248141.9 Ų141.994%0.93976%0.76SS**  trans-119.495.8131.7-76.888.8000108.5
203E24.6Very low28Very low156 Ų156143 Ų14373%0.72977%0.765SS**  trans-89.4139.5157.3-73.1-171.9157.100108.5
204I29.9Very low28.2Very low155 Ų155140.9 Ų140.980%0.79576%0.762SS**  trans-128.6105.8150.2-62.1-177.5000106.4
205N24.2Very low28.2Very low122 Ų122144 Ų14465%0.65277%0.774SS**  trans-68.9133.6168.5-100.4-51.7000109.7
206E30.3Very low28.6Very low193 Ų193142.9 Ų142.990%0.90277%0.767SS**  trans-140128134.9-74.3-157.9171.800110.5
207N27.6Very low28.6Very low144 Ų144142.8 Ų142.877%0.7777%0.766SS**  trans-151.9158.8175.8-123.8-18000103.8
208P34.9Very low28.7Very low109 Ų109138.9 Ų138.971%0.70875%0.751SS**  cis-141.717823.240-20000116.5
209A29.6Very low28.8Very low80 Ų80138.7 Ų138.766%0.66175%0.745SS**  trans40.8130.6144.700000120
210T32.3Very low29Very low122 Ų122142.5 Ų142.575%0.74875%0.749SS**  -168139.763.940.30000114.3
211N29.3Very low29.3Very low153 Ų153146.4 Ų146.482%0.81876%0.76SS**  trans45.5135.2138.4-60.9-15.6000124
212A30.6Very low29.5Very low90 Ų90151.5 Ų151.574%0.74477%0.771SS**  trans76.3147.3146.200000119
213L26.9Very low29.8Very low159 Ų159149.2 Ų149.283%0.83277%0.767SS**  cis-167.1162.5-21.3-113162.9000107.7
214S30Very low30.1Very low97 Ų97151.3 Ų151.368%0.67877%0.768SS**  trans55.1111.7161.952.20000119.8
215L27.6Very low30.2Very low171 Ų171152.4 Ų152.490%0.89576%0.762SS**  76.6155.781.9-79.4170.2000115.1
216P34.4Very low30.6Very low100 Ų100152.5 Ų152.565%0.64976%0.763SS**  -115.4176.6-13044-36.7000114.7
217D30.2Very low30.7Very low145 Ų145151.6 Ų151.678%0.77577%0.765SS**  173.6159.4111.8-116.4-34.4000116.5
218E29.2Very low30.8Very low121 Ų121152.2 Ų152.257%0.56577%0.767SS**  trans47.4119.2145.4-80.2-10687.500123.9
219R30.3Very low30.6Very low193 Ų193156.3 Ų156.373%0.72877%0.774SS**  124.8105.9127.3-76.6158.6-170.6-171.711.1120.9
220R27.1Very low30.5Very low213 Ų213158 Ų15880%0.80478%0.775SS**  46110118.9-72.7177.6164.3166.4-4119.6
221K34.9Very low30.3Very low209 Ų209158.6 Ų158.691%0.90977%0.774SS**  178.9155.697.6-99.7158.8-176.3177.30114.9
222K29.7Very low30.3Very low202 Ų202158 Ų15888%0.87878%0.776SS**  trans-85.5148.6-174.9-62.7170.4173.8174.80114
223K33.2Very low30.4Very low199 Ų199158.8 Ų158.887%0.86578%0.776SS**  trans-169.8116.9131.6-101168.7-178.8-176.90106.9
224R29.5Very low30.5Very low201 Ų201154.5 Ų154.576%0.75876%0.76SS**  49.7129.380.4-74.5-161.4157.3172.7-4.8112.5
225R31.7Very low30.5Very low177 Ų177156.3 Ų156.367%0.66876%0.761SS**  cis-161.6149.54.1-116.9-173.6166.6158.1-9.5110.7
226N32.6Very low30.9Very low125 Ų125155.7 Ų155.767%0.66876%0.757SS**  trans64.9112.6140.4-62.88.3000121.7
227N32.8Very low30.7Very low174 Ų174160.1 Ų160.193%0.9377%0.767SS**  -146115.8126.2-100.5-20.1000107.4
228L29.2Very low30.7Very low157 Ų157157.4 Ų157.482%0.82276%0.764SS**  trans-105.1113.3-171.5-15280.5000109.1V230L228-V230 HydrophobicContact CD2-CG2 4.36Å
229K30.8Very low30.7Very low195 Ų195159.3 Ų159.385%0.84878%0.777SS**  trans-94.9136.2155.8-81.1-173172.9-174.70107.4
230V28.5Very low30.7Very low114 Ų114155.7 Ų155.769%0.69178%0.776SS**  trans-96.1102.8-174.2177.80000108.7L228 T232L228-V230 HydrophobicContact CD2-CG2 4.36Å; V230-T232 HydrophobicContact CG1-CG2 4.25Å
231D28.8Very low30.7Very low136 Ų136150.5 Ų150.573%0.72777%0.77SS**  trans-91.8107.2170-76.7-38.1000110S233D231-S233 VanDerWaalsContact C-N 3.3Å; D231-S233 PolarHBondContact O-N 3.27Å
232T27.7Very low30.3Very low139 Ų139148.4 Ų148.485%0.85377%0.769SS**THydrogen-bonded Turntrans-80.468.1176.740.90000112.1V230V230-T232 HydrophobicContact CG1-CG2 4.25Å
233S33.3Very low30.4Very low107 Ų107147.7 Ų147.775%0.74877%0.766SS**THydrogen-bonded Turntrans-144.71.8177.270.30000117.5D231D231-S233 VanDerWaalsContact C-N 3.3Å; D231-S233 PolarHBondContact O-N 3.27Å
234S30.1Very low30.1Very low70 Ų70146.6 Ų146.649%0.4976%0.764SS.*SBendtrans-90.1-27.8-17147.70000116.6I236S234-I236 PolarHBondContact O-N 3.29Å
235D30Very low30.1Very low134 Ų134144.1 Ų144.172%0.71777%0.765SS**G310 helixtrans-91.1-1.8-151.4-63.7-3.4000115.7K237D235-K237 VanDerWaalsContact C-N 3.31Å
236I34.3Very low29.8Very low158 Ų158142.1 Ų142.181%0.8177%0.766SS**G310 helixtrans-81.7-10.7174.2-62.2177.7000111.9S234 A238S234-I236 PolarHBondContact O-N 3.29Å; I236-A238 VanDerWaalsContact C-N 3.27Å; I236-A238 PolarHBondContact O-N 3.36Å
237K31.5Very low29.5Very low194 Ų194141 Ų14184%0.84377%0.766SS**G310 helixtrans-77.51-177.9-74179.8177.6171.60115.4D235D235-K237 VanDerWaalsContact C-N 3.31Å
238A30.1Very low29.5Very low87 Ų87137.2 Ų137.272%0.71975%0.749SS**G310 helixtrans-106.3-3.1-16900000116.5I236I236-A238 VanDerWaalsContact C-N 3.27Å; I236-A238 PolarHBondContact O-N 3.36Å
239L29.7Very low29.5Very low162 Ų162136.9 Ų136.985%0.84875%0.748SS**SBendtrans-113.97.9-169.1-90160.7000116.4
240V30.1Very low29.4Very low117 Ų117136.9 Ų136.971%0.70975%0.75SS**SBendtrans-112.8112.8166.9-177.30000108.4N242V240-N242 PolarHBondContact O-N 2.9Å
241P27.1Very low29.6Very low104 Ų104137.3 Ų137.368%0.67574%0.743SS**  trans-64.7123.2171.826.6-31.8000108.5K243P241-K243 PolarHBondContact O-N 2.89Å
242N25.1Very low29.7Very low165 Ų165137.2 Ų137.288%0.88274%0.742SS**  trans-68.762.4174.1-76.7-33.6000111.3V240V240-N242 PolarHBondContact O-N 2.9Å
243K31.9Very low30Very low187 Ų187140.6 Ų140.681%0.81375%0.745SS**  trans-88118.1161.3-78.1-171.2173.9-178.40107.6P241 L245P241-K243 PolarHBondContact O-N 2.89Å; K243-L245 PolarHBondContact O-N 3.07Å
244E27.5Very low30Very low175 Ų175138.5 Ų138.582%0.81873%0.731SS**  trans-44.5121.3-171.6-62.6166.6134.600112.6I246E244-I246 PolarHBondContact O-N 3.13Å
245L29.2Very low30.2Very low150 Ų150141.6 Ų141.679%0.78574%0.737SS**  trans-67.488.4161.5-84.8157.6000107.8K243 P247K243-L245 PolarHBondContact O-N 3.07Å; L245-P247 WeakPolarHBondContact O-CD 3.38Å; L245-P247 VanDerWaalsContact O-N 3.11Å
246I25.2Very low30.3Very low135 Ų135140.3 Ų140.369%0.69274%0.736SS**  trans-54.5118.1173.8-59.5175.4000107.6E244 V248E244-I246 PolarHBondContact O-N 3.13Å; I246-V248 PolarHBondContact O-N 2.9Å
247P27.2Very low30.4Very low101 Ų101135.7 Ų135.766%0.65673%0.728SS**  trans-69.1117.9-177.126.8-32.9000109.2L245 N249L245-P247 WeakPolarHBondContact O-CD 3.38Å; L245-P247 VanDerWaalsContact O-N 3.11Å; P247-N249 PolarHBondContact O-N 3.48Å
248V32.9Very low30.3Very low95 Ų95130.8 Ų130.858%0.57671%0.709SS**  trans-79.458.9-177.4-156.70000111.1I246 F251I246-V248 PolarHBondContact O-N 2.9Å; V248-F251 HydrophobicContact CB-CE2 4.27Å; V248-F251 HydrophobicContact CG1-CD2 3.97Å; V248-F251 HydrophobicContact CG1-CE1 4.3Å; V248-F251 HydrophobicContact CG1-CE2 3.26Å; V248-F251 HydrophobicContact CG1-CZ 3.45Å; V248-F251 VanDerWaalsContact CG1-CZ 3.45Å
249N28.3Very low30.9Very low149 Ų149127.7 Ų127.780%0.79768%0.682SS**  trans-110.53.2-175.9-80.12.4000114P247P247-N249 PolarHBondContact O-N 3.48Å
250H29.4Very low31.7Very low195 Ų195123.1 Ų123.190%0.90366%0.658SS**  trans-114.677.4166.8-93.7-68.1000110.2
251F32Very low33.2Very low124 Ų124122.4 Ų122.454%0.54464%0.642SS.*  trans-93109.5165.3-87.7-65.3000109.8V248V248-F251 HydrophobicContact CB-CE2 4.27Å; V248-F251 HydrophobicContact CG1-CD2 3.97Å; V248-F251 HydrophobicContact CG1-CE1 4.3Å; V248-F251 HydrophobicContact CG1-CE2 3.26Å; V248-F251 HydrophobicContact CG1-CZ 3.45Å; V248-F251 VanDerWaalsContact CG1-CZ 3.45Å
252D30.7Very low35.2Very low133 Ų133120.6 Ų120.671%0.71162%0.622SS**  trans-69.8133.8165.2-173.117.6000109.6S254D252-S254 PolarHBondContact O-N 3.02Å; D252-S254 PolarHBondContact OD2-OG 2.96Å
253K35.4Very low37.4Very low210 Ų210113.9 Ų113.991%0.91359%0.587SS**SBendtrans-8920.7-167.9-65.7-177.4177.6178.70113.2
254S33.5Very low39.6Very low64 Ų64105 Ų10545%0.44855%0.548SS..  trans-102.1-3.6-158.658.20000115.6D252D252-S254 PolarHBondContact O-N 3.02Å; D252-S254 PolarHBondContact OD2-OG 2.96Å
255H33.3Very low42.3Very low134 Ų13497.1 Ų97.162%0.6251%0.512SS*.  trans-129.996.8-175.2-80.1-0.6000114.2M258H255-M258 HydrophobicContact CB-CG 3.99Å; H255-M258 HydrophobicContact CB-SD 3.74Å
256P32.5Very low45.1Very low108 Ų10890 Ų9070%0.70148%0.475SS*.THydrogen-bonded Turntrans-67.1138.9166.129.2-33000110.3
257G35.4Very low48.1Very low61 Ų6183.6 Ų83.663%0.62944%0.442SS*.THydrogen-bonded Turntrans96.99.2-178.300000116.1C259G257-C259 PolarHBondContact O-N 2.93Å
258M30.6Very low51.2Low90 Ų9079.2 Ų79.244%0.44341%0.413SS..  trans-79.2109.6171.7-75-17562.900112.1H255 I260H255-M258 HydrophobicContact CB-CG 3.99Å; H255-M258 HydrophobicContact CB-SD 3.74Å; M258-I260 PolarHBondContact O-N 3.04Å
259C42.2Very low54Low23 Ų2375.5 Ų75.516%0.15539%0.389CS..  trans-63.2121.7169.4-48.10000110.8W141 I142 G257W141-C259 HydrophobicContact CB-CB 4.49Å; W141-C259 HydrophobicContact CD2-CB 4.38Å; W141-C259 HydrophobicContact CE3-CB 3.53Å; W141-C259 HydrophobicContact CZ3-CB 4.14Å; I142-C259 CarbonylContact O-C 2.86Å; I142-C259 VanDerWaalsContact O-CA 3.31Å; I142-C259 WeakPolarHBondContact O-CA 3.4Å; G257-C259 PolarHBondContact O-N 2.93Å
260I46Very low57Low66 Ų6670.7 Ų70.734%0.33836%0.362SS..EExtended strand (participates in β ladder)trans-93.4129.2177.5-60.4179.2000109.2W141 I142 V144 M258 R262W141-I260 CarbonylContact C-O 2.81Å; W141-I260 WeakPolarHBondContact CA-O 3.47Å; I142-I260 PolarHBondContact N-O 3.33Å; I142-I260 PolarHBondContact O-N 3.22Å; V144-I260 HydrophobicContact CG2-CD1 3.67Å; V144-I260 HydrophobicContact CG2-CG1 4.02Å; M258-I260 PolarHBondContact O-N 3.04Å; I260-R262 PolarHBondContact O-N 3.36Å
261R62Low59.9Low102 Ų10263.2 Ų63.239%0.38533%0.329SS..EExtended strand (participates in β ladder)trans-77.6113.4165.3-84.5-172167.7-158.6-1.5109.6Y139 E140 W141Y139-R261 HydrophobicContact CD1-CB 4.37Å; E140-R261 CarbonylContact O-C 3.26Å; E140-R261 WeakPolarHBondContact O-CA 3.5Å; W141-R261 HydrophobicContact CD2-CG 3.75Å; W141-R261 HydrophobicContact CE3-CG 3.75Å; W141-R261 HydrophobicContact CG-CG 4.44Å; W141-R261 HydrophobicContact CH2-CG 3.98Å; W141-R261 HydrophobicContact CZ2-CG 3.94Å; W141-R261 VanDerWaalsContact CZ2-NE 3.3Å; W141-R261 HydrophobicContact CZ3-CG 3.87Å
262R68.1Low62.6Low65 Ų6558.1 Ų58.125%0.24531%0.308CS..EExtended strand (participates in β ladder)trans-89136.916455.1165.9156.788.516.5110S103 Y139 E140 I142 I260 V264S103-R262 PolarHBondContact OG-NH1 2.89Å; Y139-R262 WeakPolarHBondContact CA-O 3.5Å; E140-R262 HydrophobicContact CB-CG 4.33Å; E140-R262 PolarHBondContact N-O 3.5Å; E140-R262 VanDerWaalsContact N-O 3.1Å; E140-R262 WeakPolarHBondContact O-CG 3.4Å; E140-R262 PolarHBondContact O-N 3.03Å; E140-R262 IonicContact OE2-CZ 3.21Å; E140-R262 IonicContact OE2-NH1 2.76Å; E140-R262 PolarHBondContact OE2-NH1 2.69Å; E140-R262 IonicContact OE2-NH2 3.98Å; E140-R262 PolarHBondContact OE2-NH2 3.35Å; I142-R262 HydrophobicContact CD1-CB 4.21Å; I142-R262 HydrophobicContact CD1-CG 3.88Å; I142-R262 HydrophobicContact CG1-CG 4.04Å; I260-R262 PolarHBondContact O-N 3.36Å; R262-V264 HydrophobicContact CG-CG2 4.41Å
263P71.7Confident65Low24 Ų2457 Ų5716%0.15630%0.299CS..EExtended strand (participates in β ladder)trans-68.6139.2167.330.3-32.9000109.5P107 D138 Y139P107-P263 HydrophobicContact CB-CG 4.03Å; P107-P263 HydrophobicContact CG-CG 4.35Å; D138-P263 WeakPolarHBondContact O-CA 3.47Å; Y139-P263 HydrophobicContact CE1-CB 4.26Å
264V78.8Confident67.4Low0 Ų051.4 Ų51.40%027%0.272CS..EExtended strand (participates in β ladder)trans-124.2125.6177.7-1780000107.4K101 I102 S103 L137 D138 E140 R262K101-V264 HydrophobicContact CB-CG1 3.87Å; K101-V264 HydrophobicContact CD-CG1 4.32Å; K101-V264 HydrophobicContact CG-CG1 4.2Å; I102-V264 WeakPolarHBondContact O-CA 3.44Å; S103-V264 WeakPolarHBondContact OG-CG2 3.32Å; L137-V264 WeakPolarHBondContact CA-O 3.42Å; D138-V264 PolarHBondContact N-O 2.84Å; D138-V264 PolarHBondContact O-N 3.27Å; E140-V264 HydrophobicContact CB-CG2 3.9Å; E140-V264 HydrophobicContact CG-CG2 3.82Å; R262-V264 HydrophobicContact CG-CG2 4.41Å
265L83.2Confident70.1Confident11 Ų1150 Ų506%0.05826%0.26CS..EExtended strand (participates in β ladder)trans-81125.5168.5178.775.2000108.3K101 I102 A114 V118 L137 I267K101-L265 CarbonylContact C-O 3.58Å; K101-L265 WeakPolarHBondContact CA-O 3.35Å; I102-L265 HydrophobicContact CB-CB 4.29Å; I102-L265 HydrophobicContact CD1-CD2 4.27Å; I102-L265 PolarHBondContact N-O 3.16Å; I102-L265 PolarHBondContact O-N 2.9Å; A114-L265 HydrophobicContact CB-CB 4.17Å; A114-L265 HydrophobicContact CB-CD2 3.4Å; A114-L265 HydrophobicContact CB-CG 4.26Å; V118-L265 HydrophobicContact CG2-CD1 4.42Å; V118-L265 HydrophobicContact CG2-CD2 3.5Å; V118-L265 HydrophobicContact CG2-CG 4.49Å; L137-L265 HydrophobicContact CD2-CB 4.26Å; L137-L265 HydrophobicContact CD2-CD1 4.05Å; L265-I267 HydrophobicContact CD2-CD1 3.86Å; L265-I267 HydrophobicContact CD2-CG1 3.7Å; L265-I267 HydrophobicContact CG-CG1 4.04Å
266C88Confident72.9Confident0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-102.9124.3169.4-660000108.7I99 K100 S135 W136I99-C266 HydrophobicContact CG2-CB 4.15Å; K100-C266 CarbonylContact O-C 3.5Å; K100-C266 WeakPolarHBondContact O-CA 3.48Å; S135-C266 CarbonylContact C-O 3.6Å; S135-C266 WeakPolarHBondContact CA-O 3.32Å; S135-C266 VanDerWaalsContact CB-O 3.25Å; S135-C266 WeakPolarHBondContact CB-O 3.48Å; W136-C266 HydrophobicContact CD2-CB 3.82Å; W136-C266 HydrophobicContact CE3-CB 4.48Å; W136-C266 HydrophobicContact CG-CB 4.21Å; W136-C266 HydrophobicContact CH2-CB 4.29Å; W136-C266 HydrophobicContact CZ2-CB 3.58Å; W136-C266 PolarHBondContact N-O 3.41Å; W136-C266 PolarHBondContact O-N 3.22Å
267I88.5Confident75.6Confident0 Ų038.9 Ų38.90%020%0.201CC..EExtended strand (participates in β ladder)trans-112.6121.6173.5-49.1178.1000108.3I99 K100 I102 E117 V118 Y132 L265 L269I99-I267 CarbonylContact C-O 3.58Å; I99-I267 VanDerWaalsContact CA-O 3.29Å; I99-I267 WeakPolarHBondContact CA-O 3.34Å; K100-I267 HydrophobicContact CB-CB 4.43Å; K100-I267 PolarHBondContact N-O 3.42Å; K100-I267 PolarHBondContact O-N 3.46Å; I102-I267 HydrophobicContact CD1-CD1 3.8Å; E117-I267 HydrophobicContact CG-CD1 4.16Å; V118-I267 HydrophobicContact CG2-CD1 3.91Å; V118-I267 HydrophobicContact CG2-CG1 4.05Å; Y132-I267 HydrophobicContact CD2-CG2 3.83Å; Y132-I267 HydrophobicContact CE2-CG2 3.84Å; L265-I267 HydrophobicContact CD2-CD1 3.86Å; L265-I267 HydrophobicContact CD2-CG1 3.7Å; L265-I267 HydrophobicContact CG-CG1 4.04Å; I267-L269 HydrophobicContact CG2-CD2 3.59Å; I267-L269 HydrophobicContact CG2-CG 3.98Å
268Q93Very high78Confident9 Ų939 Ų394%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-89.6125.9172.2-177.5-177-600110Y97 A98 I133 T134 W136Y97-Q268 HydrophobicContact CD1-CG 4.06Å; Y97-Q268 VanDerWaalsContact CE2-NE2 3.26Å; Y97-Q268 HydrophobicContact CG-CG 3.95Å; Y97-Q268 VanDerWaalsContact CG-NE2 3.28Å; A98-Q268 WeakPolarHBondContact O-CA 3.47Å; I133-Q268 HydrophobicContact CB-CB 4.22Å; I133-Q268 HydrophobicContact CB-CG 3.93Å; I133-Q268 VanDerWaalsContact CB-O 3.32Å; I133-Q268 WeakPolarHBondContact CB-O 3.36Å; I133-Q268 HydrophobicContact CG1-CG 4.17Å; I133-Q268 HydrophobicContact CG2-CG 4.24Å; I133-Q268 PolarHBondContact N-O 3.49Å; T134-Q268 HydrophobicContact CG2-CB 4.05Å; T134-Q268 VanDerWaalsContact CG2-OE1 3.31Å; T134-Q268 PolarHBondContact N-O 3.26Å; T134-Q268 PolarHBondContact O-N 2.85Å; W136-Q268 HydrophobicContact CH2-CB 4.13Å; W136-Q268 HydrophobicContact CZ3-CB 3.8Å
269L91.7Very high80.6Confident17 Ų1736.4 Ų36.49%0.08917%0.172CC..EExtended strand (participates in β ladder)trans-129.1155.7-174.3-58.7179.2000110.2Y97 A98 M121 V130 Y132 I267 L271Y97-L269 WeakPolarHBondContact CD1-O 3.29Å; A98-L269 HydrophobicContact CB-CB 4.34Å; A98-L269 PolarHBondContact N-O 3.17Å; A98-L269 PolarHBondContact O-N 3.39Å; M121-L269 HydrophobicContact CE-CD1 4.08Å; M121-L269 HydrophobicContact CE-CD2 3.31Å; M121-L269 HydrophobicContact CE-CG 4.35Å; M121-L269 HydrophobicContact SD-CD2 4.28Å; V130-L269 HydrophobicContact CG1-CB 4.14Å; Y132-L269 HydrophobicContact CD2-CD2 4.44Å; I267-L269 HydrophobicContact CG2-CD2 3.59Å; I267-L269 HydrophobicContact CG2-CG 3.98Å; L269-L271 PolarHBondContact O-N 3.25Å
270E91.5Very high82.7Confident49 Ų4935.6 Ų35.623%0.22917%0.166CC..EExtended strand (participates in β ladder)trans-57.3134.9164.4-171.7-176.2156.700111R131 K418R131-E270 HydrophobicContact CB-CB 4.3Å; R131-E270 PolarHBondContact O-N 3.14Å; R131-E270 VanDerWaalsContact O-N 3.13Å; E270-K418 IonicContact OE1-NZ 3.09Å; E270-K418 PolarHBondContact OE1-NZ 2.95Å; E270-K418 IonicContact OE2-NZ 3.09Å; E270-K418 PolarHBondContact OE2-NZ 3.45Å
271L90.5Very high84.5Confident37 Ų3739.8 Ų39.819%0.19418%0.178CC..PPolyproline II helixtrans-84.1121.1175.5-179.370.2000110.8I77 K87 V96 A98 L269I77-L271 HydrophobicContact CD1-CD1 3.62Å; K87-L271 HydrophobicContact CD-CD2 3.98Å; K87-L271 HydrophobicContact CG-CD2 3.97Å; V96-L271 HydrophobicContact CB-CD2 4.39Å; V96-L271 HydrophobicContact CG1-CD2 3.6Å; A98-L271 HydrophobicContact CB-CD1 4.07Å; L269-L271 PolarHBondContact O-N 3.25Å
272C88.3Confident85.4Confident17 Ų1738.7 Ų38.712%0.11518%0.177CC..PPolyproline II helixtrans-96.7150.7166-54.10000110.5L343 C345C272-L343 HydrophobicContact CB-CB 3.59Å; C272-L343 HydrophobicContact CB-CD1 3.72Å; C272-L343 HydrophobicContact CB-CG 4.27Å; C272-C345 VanDerWaalsContact CB-SG 3.59Å; C272-C345 PolarHBondContact SG-SG 3.46Å
273Q81.6Confident86Confident110 Ų11036.3 Ų36.351%0.51417%0.168SC..SBendtrans-80.6-35.6-173.4-67.279.44.900113.6C345Q273-C345 VanDerWaalsContact OE1-CA 3.24Å
274Y85.9Confident86.4Confident92 Ų9235.9 Ų35.936%0.36116%0.164SC..EExtended strand (participates in β ladder)trans-138.2164.8-172.9-48.6-69.1000111.1L343 I344Y274-L343 CarbonylContact O-C 3.58Å; Y274-L343 WeakPolarHBondContact O-CA 3.25Å; Y274-I344 PolarHBondContact N-O 3.46Å; Y274-I344 PolarHBondContact O-N 3.43Å
275N89.9Confident86.4Confident34 Ų3440.6 Ų40.618%0.18219%0.189CC..EExtended strand (participates in β ladder)trans-118.6164.7163.761.367.1000110.5A277 D278 W279 V342 L343N275-A277 VanDerWaalsContact C-N 3.31Å; N275-A277 PolarHBondContact O-N 2.66Å; N275-A277 WeakPolarHBondContact OD1-CA 3.29Å; N275-A277 WeakPolarHBondContact OD1-CB 3.31Å; N275-A277 PolarHBondContact OD1-N 3.48Å; N275-A277 VanDerWaalsContact OD1-N 3.15Å; N275-D278 PolarHBondContact ND2-OD2 3.01Å; N275-D278 PolarHBondContact O-N 2.94Å; N275-D278 VanDerWaalsContact OD1-CG 3.31Å; N275-D278 PolarHBondContact OD1-N 2.81Å; N275-D278 PolarHBondContact OD1-OD2 2.82Å; N275-W279 PolarHBondContact O-N 3.48Å; N275-V342 CarbonylContact C-O 3.23Å; N275-V342 WeakPolarHBondContact CA-O 3.44Å; N275-L343 HydrophobicContact CB-CD2 3.71Å
276L91.1Very high85.8Confident0 Ų042.2 Ų42.20%020%0.198CC..Hα-helixtrans-68-31-178.4-175.169000111.8D278 W279 L280 I320 P339 V342 I344 I652 M656L276-D278 PolarHBondContact O-N 2.81Å; L276-W279 HydrophobicContact CD1-CD2 4.45Å; L276-W279 HydrophobicContact CD1-CE3 3.59Å; L276-W279 HydrophobicContact CD1-CZ3 4.15Å; L276-W279 PolarHBondContact O-N 2.65Å; L276-L280 HydrophobicContact CG-CD1 4.2Å; L276-L280 HydrophobicContact CG-CG 4.32Å; L276-L280 WeakPolarHBondContact O-CG 3.21Å; L276-L280 PolarHBondContact O-N 2.85Å; L276-I320 HydrophobicContact CD2-CD1 4.36Å; L276-P339 HydrophobicContact CB-CB 4.09Å; L276-P339 WeakPolarHBondContact CB-O 3.11Å; L276-P339 HydrophobicContact CD2-CB 4.26Å; L276-P339 HydrophobicContact CG-CB 4.19Å; L276-P339 PolarHBondContact N-O 3.27Å; L276-P339 VanDerWaalsContact N-O 3.14Å; L276-V342 HydrophobicContact CB-CB 3.94Å; L276-V342 HydrophobicContact CB-CG1 4.03Å; L276-V342 HydrophobicContact CD2-CB 4.26Å; L276-V342 HydrophobicContact CD2-CG1 4.13Å; L276-V342 PolarHBondContact N-O 2.88Å; L276-I344 HydrophobicContact CB-CD1 4.46Å; L276-I344 HydrophobicContact CD1-CD1 4.06Å; L276-I652 HydrophobicContact CD2-CG2 3.5Å; L276-M656 HydrophobicContact CD1-CG 4.42Å; L276-M656 HydrophobicContact CD1-SD 4.42Å; L276-M656 HydrophobicContact CD2-CG 4.23Å; L276-M656 HydrophobicContact CD2-SD 3.9Å
277A89.6Confident84.7Confident10 Ų1044 Ų448%0.08321%0.206CC..Hα-helixtrans-61.4-42.1175.500000112.3N275 W279 L280 R281 P339 E340N275-A277 VanDerWaalsContact C-N 3.31Å; N275-A277 PolarHBondContact O-N 2.66Å; N275-A277 WeakPolarHBondContact OD1-CA 3.29Å; N275-A277 WeakPolarHBondContact OD1-CB 3.31Å; N275-A277 PolarHBondContact OD1-N 3.48Å; N275-A277 VanDerWaalsContact OD1-N 3.15Å; A277-W279 VanDerWaalsContact C-N 3.33Å; A277-W279 PolarHBondContact O-N 2.85Å; A277-L280 PolarHBondContact O-N 3.32Å; A277-R281 WeakPolarHBondContact O-CB 3.29Å; A277-R281 VanDerWaalsContact O-CG 3.28Å; A277-R281 WeakPolarHBondContact O-CG 3.38Å; A277-R281 PolarHBondContact O-N 3.4Å; A277-P339 HydrophobicContact CB-CB 3.87Å; A277-P339 PolarHBondContact N-O 3.5Å; A277-P339 VanDerWaalsContact N-O 3.08Å; A277-E340 HydrophobicContact CB-CG 3.82Å
278D85.8Confident83.3Confident62 Ų6246.9 Ų46.933%0.33223%0.227SC..Hα-helixtrans-62.3-40.8174.8-70-28.3000111.7N275 L276 R281 H282N275-D278 PolarHBondContact ND2-OD2 3.01Å; N275-D278 PolarHBondContact O-N 2.94Å; N275-D278 VanDerWaalsContact OD1-CG 3.31Å; N275-D278 PolarHBondContact OD1-N 2.81Å; N275-D278 PolarHBondContact OD1-OD2 2.82Å; L276-D278 PolarHBondContact O-N 2.81Å; D278-R281 IonicContact OD1-CZ 2.86Å; D278-R281 IonicContact OD1-NE 3.88Å; D278-R281 IonicContact OD1-NH2 3.75Å; D278-R281 PolarHBondContact OD1-NH2 2.89Å; D278-H282 VanDerWaalsContact O-CB 3.31Å; D278-H282 WeakPolarHBondContact O-CB 3.31Å; D278-H282 PolarHBondContact O-N 3.43Å
279W84.9Confident81.6Confident37 Ų3750.6 Ų50.614%0.1425%0.246CC..Hα-helixtrans-65.5-47.9175.3176.970.1000112.6N275 L276 A277 R281 H282 R283 V313 L349 M656N275-W279 PolarHBondContact O-N 3.48Å; L276-W279 HydrophobicContact CD1-CD2 4.45Å; L276-W279 HydrophobicContact CD1-CE3 3.59Å; L276-W279 HydrophobicContact CD1-CZ3 4.15Å; L276-W279 PolarHBondContact O-N 2.65Å; A277-W279 VanDerWaalsContact C-N 3.33Å; A277-W279 PolarHBondContact O-N 2.85Å; W279-R281 VanDerWaalsContact C-N 3.34Å; W279-R281 PolarHBondContact O-N 3.2Å; W279-H282 PolarHBondContact O-N 3.42Å; W279-R283 WeakPolarHBondContact O-CB 3.3Å; W279-R283 PolarHBondContact O-N 2.81Å; W279-V313 HydrophobicContact CH2-CG2 3.86Å; W279-V313 HydrophobicContact CZ2-CG2 4.45Å; W279-L349 VanDerWaalsContact CD1-CB 3.47Å; W279-L349 VanDerWaalsContact CD1-CD2 3.49Å; W279-L349 HydrophobicContact CD2-CD2 4.05Å; W279-L349 HydrophobicContact CG-CD2 3.94Å; W279-L349 HydrophobicContact CZ2-CD2 4.28Å; W279-L349 VanDerWaalsContact NE1-CD2 3.27Å; W279-M656 HydrophobicContact CZ3-CG 4.3Å
280L86.4Confident79.5Confident5 Ų553.4 Ų53.43%0.02626%0.261CS..Hα-helixtrans-58.3-46.7177.7-70.4170.2000110.7L276 A277 H282 R283 N284 P339 E655 M656L276-L280 HydrophobicContact CG-CD1 4.2Å; L276-L280 HydrophobicContact CG-CG 4.32Å; L276-L280 WeakPolarHBondContact O-CG 3.21Å; L276-L280 PolarHBondContact O-N 2.85Å; A277-L280 PolarHBondContact O-N 3.32Å; L280-H282 PolarHBondContact O-N 3.08Å; L280-R283 PolarHBondContact O-N 2.86Å; L280-N284 WeakPolarHBondContact O-CB 3.33Å; L280-N284 PolarHBondContact O-N 3.31Å; L280-N284 PolarHBondContact O-ND2 2.96Å; L280-N284 PolarHBondContact O-OD1 3.13Å; L280-P339 HydrophobicContact CD1-CB 3.75Å; L280-P339 HydrophobicContact CD1-CG 3.74Å; L280-E655 HydrophobicContact CD1-CB 4.14Å; L280-E655 HydrophobicContact CD2-CB 4.29Å; L280-M656 HydrophobicContact CD2-CG 4.43Å
281R84.4Confident77.6Confident155 Ų15556.9 Ų56.959%0.58529%0.286SS*.Hα-helixtrans-58.7-47.7174.8-72.9-169.5-66.3178.6-3.1112.1A277 D278 W279 N284 N285A277-R281 WeakPolarHBondContact O-CB 3.29Å; A277-R281 VanDerWaalsContact O-CG 3.28Å; A277-R281 WeakPolarHBondContact O-CG 3.38Å; A277-R281 PolarHBondContact O-N 3.4Å; D278-R281 IonicContact OD1-CZ 2.86Å; D278-R281 IonicContact OD1-NE 3.88Å; D278-R281 IonicContact OD1-NH2 3.75Å; D278-R281 PolarHBondContact OD1-NH2 2.89Å; W279-R281 VanDerWaalsContact C-N 3.34Å; W279-R281 PolarHBondContact O-N 3.2Å; R281-N284 PolarHBondContact O-N 3.26Å; R281-N285 WeakPolarHBondContact O-CB 3.27Å; R281-N285 PolarHBondContact O-N 3.35Å; R281-N285 PolarHBondContact O-ND2 3.43Å
282H79.5Confident75.4Confident78 Ų7859.3 Ų59.336%0.36131%0.306SS..Hα-helixtrans-62.3-46179-178.266.6000112.1D278 W279 L280 N284 N285 L286 H350D278-H282 VanDerWaalsContact O-CB 3.31Å; D278-H282 WeakPolarHBondContact O-CB 3.31Å; D278-H282 PolarHBondContact O-N 3.43Å; W279-H282 PolarHBondContact O-N 3.42Å; L280-H282 PolarHBondContact O-N 3.08Å; H282-N284 PolarHBondContact O-N 3.34Å; H282-N285 PolarHBondContact O-N 3.47Å; H282-L286 WeakPolarHBondContact O-CG 3.34Å; H282-L286 PolarHBondContact O-N 3.48Å; H282-H350 AromaticContact NE2-ND1 3.92Å
283R81Confident73.1Confident16 Ų1663.2 Ų63.26%0.0632%0.324CS..Hα-helixtrans-58.3-46.3176.9-177-161.268-177.3-6.4111.8W279 L280 L286 H287 E655 M656W279-R283 WeakPolarHBondContact O-CB 3.3Å; W279-R283 PolarHBondContact O-N 2.81Å; L280-R283 PolarHBondContact O-N 2.86Å; R283-L286 PolarHBondContact O-N 3.08Å; R283-H287 PolarHBondContact O-N 2.81Å; R283-H287 PolarHBondContact O-ND1 3.42Å; R283-E655 PolarHBondContact NH1-O 2.88Å; R283-E655 PolarHBondContact NH2-O 3.32Å; R283-M656 PolarHBondContact NH1-O 2.66Å
284N81.7Confident71Confident15 Ų1563.5 Ų63.58%0.0834%0.336CS..Hα-helixtrans-70.6-36-177.7-58.9-4.5000111L280 R281 H282 H287 S288 P659 C660 F661L280-N284 WeakPolarHBondContact O-CB 3.33Å; L280-N284 PolarHBondContact O-N 3.31Å; L280-N284 PolarHBondContact O-ND2 2.96Å; L280-N284 PolarHBondContact O-OD1 3.13Å; R281-N284 PolarHBondContact O-N 3.26Å; H282-N284 PolarHBondContact O-N 3.34Å; N284-H287 PolarHBondContact O-N 3.04Å; N284-S288 PolarHBondContact O-N 3.25Å; N284-P659 WeakPolarHBondContact OD1-CB 3.03Å; N284-C660 PolarHBondContact ND2-O 3Å; N284-F661 WeakPolarHBondContact O-CE1 3.32Å
285N78.2Confident68.5Low99 Ų9965.9 Ų65.953%0.52936%0.355SS..Hα-helixtrans-64.5-36.6173.1-71.1-13.1000113.1R281 H282 H287 S288 I289R281-N285 WeakPolarHBondContact O-CB 3.27Å; R281-N285 PolarHBondContact O-N 3.35Å; R281-N285 PolarHBondContact O-ND2 3.43Å; H282-N285 PolarHBondContact O-N 3.47Å; N285-H287 VanDerWaalsContact C-N 3.31Å; N285-H287 PolarHBondContact O-N 2.81Å; N285-S288 PolarHBondContact O-N 3.33Å; N285-S288 PolarHBondContact O-OG 2.82Å; N285-I289 WeakPolarHBondContact O-CG1 3.42Å; N285-I289 PolarHBondContact O-N 3.39Å
286L69.2Low65.8Low45 Ų4571.3 Ų71.324%0.23638%0.384CS..Hα-helixtrans-65.8-35.1175.8-71.7175.3000112.3H282 R283 I289 N290 Y305H282-L286 WeakPolarHBondContact O-CG 3.34Å; H282-L286 PolarHBondContact O-N 3.48Å; R283-L286 PolarHBondContact O-N 3.08Å; L286-I289 PolarHBondContact O-N 3.23Å; L286-N290 PolarHBondContact O-N 2.89Å; L286-Y305 HydrophobicContact CD1-CD1 4.12Å; L286-Y305 HydrophobicContact CD1-CE1 3.78Å
287H65Low63.2Low36 Ų3680.3 Ų80.317%0.16743%0.426CS..Hα-helixtrans-65.8-36.2176.4-77.770000112.4R283 N284 N285 I289 Y305 F661R283-H287 PolarHBondContact O-N 2.81Å; R283-H287 PolarHBondContact O-ND1 3.42Å; N284-H287 PolarHBondContact O-N 3.04Å; N285-H287 VanDerWaalsContact C-N 3.31Å; N285-H287 PolarHBondContact O-N 2.81Å; H287-I289 VanDerWaalsContact C-N 3.32Å; H287-I289 PolarHBondContact O-N 3.25Å; H287-Y305 PolarHBondContact CE1-O 2.77Å; H287-Y305 VanDerWaalsContact CE1-O 3.23Å; H287-Y305 PolarHBondContact NE2-O 3.19Å; H287-F661 HydrophobicContact CB-CE1 3.78Å; H287-F661 HydrophobicContact CB-CZ 3.97Å
288S59.6Low60.6Low62 Ų6286.8 Ų86.843%0.43446%0.458SS..Hα-helixtrans-72.6-22.2178.867.40000114N284 N285 T291N284-S288 PolarHBondContact O-N 3.25Å; N285-S288 PolarHBondContact O-N 3.33Å; N285-S288 PolarHBondContact O-OG 2.82Å; S288-T291 PolarHBondContact O-OG1 2.9Å
289I57.3Low58Low86 Ų8692.4 Ų92.444%0.44149%0.488SS..Hα-helixtrans-79-47.8176.3-64.5166.6000110.2N285 L286 H287 T291 S292 I293N285-I289 WeakPolarHBondContact O-CG1 3.42Å; N285-I289 PolarHBondContact O-N 3.39Å; L286-I289 PolarHBondContact O-N 3.23Å; H287-I289 VanDerWaalsContact C-N 3.32Å; H287-I289 PolarHBondContact O-N 3.25Å; I289-T291 PolarHBondContact O-N 3.5Å; I289-T291 VanDerWaalsContact O-N 3.16Å; I289-S292 PolarHBondContact O-N 3.42Å; I289-S292 VanDerWaalsContact O-N 3.11Å; I289-S292 PolarHBondContact O-OG 2.84Å; I289-I293 HydrophobicContact CG2-CD1 3.76Å
290N48.6Very low55.5Low76 Ų7696 Ų9641%0.40651%0.509SS..Hα-helixtrans-69-13.2-173.2-73-14.6000114.6L286 S292L286-N290 PolarHBondContact O-N 2.89Å; N290-S292 VanDerWaalsContact C-N 3.27Å; N290-S292 PolarHBondContact O-N 2.9Å
291T51.1Low52.8Low123 Ų12398.9 Ų98.976%0.75553%0.53SS*.THydrogen-bonded Turntrans-78.8-4.4172.748.80000114.1S288 I289S288-T291 PolarHBondContact O-OG1 2.9Å; I289-T291 PolarHBondContact O-N 3.5Å; I289-T291 VanDerWaalsContact O-N 3.16Å
292S44.5Very low50.2Low88 Ų8894.5 Ų94.562%0.61552%0.522SS*.SBendtrans-1250.8-170.166.70000116.3I289 N290I289-S292 PolarHBondContact O-N 3.42Å; I289-S292 VanDerWaalsContact O-N 3.11Å; I289-S292 PolarHBondContact O-OG 2.84Å; N290-S292 VanDerWaalsContact C-N 3.27Å; N290-S292 PolarHBondContact O-N 2.9Å
293I39.6Very low48Very low99 Ų9996.8 Ų96.851%0.50854%0.535SS..  trans-108.5120.7-174.6-57.8176.3000111.5I289 N295I289-I293 HydrophobicContact CG2-CD1 3.76Å; I293-N295 PolarHBondContact O-N 2.86Å
294P36.8Very low45.7Very low115 Ų115100.9 Ų100.975%0.74756%0.558SS**  trans-77.588.4174.830.6-33.5000112.1N296P294-N296 VanDerWaalsContact C-N 3.29Å; P294-N296 PolarHBondContact O-N 2.68Å
295N33.2Very low43.6Very low142 Ų142104 Ų10476%0.75957%0.569SS**SBendtrans38.4-6152.4-77.7-6.8000124.2I293I293-N295 PolarHBondContact O-N 2.86Å
296N34.7Very low41.9Very low149 Ų149105.7 Ų105.780%0.79757%0.574SS**SBendtrans-108.1-2.7-156.7-99.211.2000118.8P294P294-N296 VanDerWaalsContact C-N 3.29Å; P294-N296 PolarHBondContact O-N 2.68Å
297Q36.1Very low41Very low188 Ų188107.5 Ų107.588%0.87959%0.587SS**SBendtrans-140.12-173.9-73.2-166.2-16.600118.6
298L35.2Very low40.6Very low146 Ų146106.7 Ų106.776%0.76459%0.585SS**  trans-131.1115.5173-72.5173.4000111.1I300L298-I300 PolarHBondContact O-N 3.19Å
299N31.1Very low40.9Very low180 Ų180105.8 Ų105.896%0.96357%0.574SS**  trans-8247.5-173-137.21.3000112.1
300I32.9Very low41.5Very low112 Ų112106.3 Ų106.357%0.57457%0.57SS**SBendtrans-116.9110176.3-57175.8000106.2L298 P302 Y305L298-I300 PolarHBondContact O-N 3.19Å; I300-P302 WeakPolarHBondContact O-CD 3.42Å; I300-Y305 HydrophobicContact CG2-CE2 4.38Å
301S29.1Very low42.4Very low66 Ų66103.3 Ų103.346%0.46256%0.556SS.*  trans-57.2120.8-168.9-1690000112.1L303 L304S301-L303 PolarHBondContact O-N 3.1Å; S301-L304 WeakPolarHBondContact O-CB 3.41Å; S301-L304 PolarHBondContact O-N 3.19Å
302P30.1Very low43.6Very low64 Ų6497.8 Ų97.842%0.41652%0.522SS..THydrogen-bonded Turntrans-56.5-25.8-178.8-28.536.1000114.2I300 L304 Y305 Q306I300-P302 WeakPolarHBondContact O-CD 3.42Å; P302-L304 PolarHBondContact O-N 2.91Å; P302-Y305 PolarHBondContact O-N 2.62Å; P302-Q306 PolarHBondContact O-N 3.11Å
303L32.5Very low45.3Very low125 Ų12593.7 Ų93.765%0.65449%0.493SS*.Hα-helixtrans-60.8-26175.3-78.6133.8000114S301 Y305S301-L303 PolarHBondContact O-N 3.1Å; L303-Y305 VanDerWaalsContact C-N 3.29Å; L303-Y305 PolarHBondContact O-N 3.03Å
304L34Very low47.3Very low103 Ų10390 Ų9054%0.53947%0.473SS..Hα-helixtrans-76-16.5-174.9-146.384.7000113.9S301 P302S301-L304 WeakPolarHBondContact O-CB 3.41Å; S301-L304 PolarHBondContact O-N 3.19Å; P302-L304 PolarHBondContact O-N 2.91Å
305Y37.6Very low49.5Very low80 Ų8086.9 Ų86.931%0.31445%0.446SS..Hα-helixtrans-114.3-19.4-178.6-80.7-82.9000113.9L286 H287 I300 P302 L303 T307L286-Y305 HydrophobicContact CD1-CD1 4.12Å; L286-Y305 HydrophobicContact CD1-CE1 3.78Å; H287-Y305 PolarHBondContact CE1-O 2.77Å; H287-Y305 VanDerWaalsContact CE1-O 3.23Å; H287-Y305 PolarHBondContact NE2-O 3.19Å; I300-Y305 HydrophobicContact CG2-CE2 4.38Å; P302-Y305 PolarHBondContact O-N 2.62Å; L303-Y305 VanDerWaalsContact C-N 3.29Å; L303-Y305 PolarHBondContact O-N 3.03Å; Y305-T307 PolarHBondContact O-N 2.75Å
306Q41.4Very low52.2Low134 Ų13480.1 Ų80.163%0.62641%0.41SS*.Hα-helixtrans-69.6-16.1175.7-78.5179.2-20.800113.9P302P302-Q306 PolarHBondContact O-N 3.11Å
307T49.7Very low54.9Low83 Ų8373.1 Ų73.151%0.50937%0.373SS..SBendtrans-116127173.651.50000109.8Y305 Q309Y305-T307 PolarHBondContact O-N 2.75Å; T307-Q309 PolarHBondContact O-N 2.67Å
308V58.5Low57.4Low20 Ų2065.3 Ų65.312%0.12134%0.337CS..  trans-64.1120.5169.8177.30000107.6R310 V313 W724V308-R310 PolarHBondContact O-N 3.05Å; V308-V313 HydrophobicContact CG1-CB 4.39Å; V308-V313 HydrophobicContact CG1-CG2 3.43Å; V308-V313 VanDerWaalsContact CG1-CG2 3.43Å; V308-W724 HydrophobicContact CB-CZ2 4.01Å; V308-W724 HydrophobicContact CG1-CZ2 3.98Å; V308-W724 WeakPolarHBondContact O-CZ2 3.47Å
309Q66Low60Low43 Ų4358.7 Ų58.720%0.20130%0.302CS..  trans-60.1120.4-173-71.8-168.719.800111.6T307 P312 V313 N354T307-Q309 PolarHBondContact O-N 2.67Å; Q309-P312 HydrophobicContact CB-CG 3.73Å; Q309-P312 WeakPolarHBondContact O-CD 3.02Å; Q309-V313 PolarHBondContact O-N 2.65Å; Q309-N354 WeakPolarHBondContact CB-OD1 3.35Å; Q309-N354 WeakPolarHBondContact CG-ND2 3.2Å; Q309-N354 PolarHBondContact OE1-OD1 3Å
310R68.9Low63.1Low97 Ų9750.1 Ų50.137%0.36626%0.257SS..Hα-helixtrans-56.8-60.3-173.4-87.9-170.9160.4-161.91113.9V308 V313 R314 T723 W724 E757V308-R310 PolarHBondContact O-N 3.05Å; R310-V313 PolarHBondContact O-N 3.04Å; R310-R314 PolarHBondContact O-N 3.33Å; R310-T723 PolarHBondContact NE-O 3.02Å; R310-T723 PolarHBondContact NH2-O 2.64Å; R310-W724 HydrophobicContact CB-CH2 4.27Å; R310-W724 HydrophobicContact CB-CZ3 4.28Å; R310-W724 HydrophobicContact CG-CE3 4.25Å; R310-W724 HydrophobicContact CG-CH2 3.85Å; R310-W724 HydrophobicContact CG-CZ2 4.44Å; R310-W724 HydrophobicContact CG-CZ3 3.71Å; R310-E757 IonicContact CZ-OE1 2.68Å; R310-E757 IonicContact NH1-OE1 3.34Å; R310-E757 PolarHBondContact NH1-OE1 3.21Å
311A66.8Low66.1Low12 Ų1244.8 Ų44.810%0.09923%0.229CC..Hα-helixtrans-61.9-46.5-173.900000113.2V313 R314 W315 Y412 F758A311-V313 PolarHBondContact O-N 2.9Å; A311-R314 PolarHBondContact O-N 3.08Å; A311-W315 WeakPolarHBondContact O-CB 3.39Å; A311-W315 PolarHBondContact O-N 3.3Å; A311-Y412 HydrophobicContact CB-CD1 4.35Å; A311-Y412 HydrophobicContact CB-CE1 3.82Å; A311-Y412 HydrophobicContact CB-CE2 4.29Å; A311-F758 HydrophobicContact CB-CZ 4.33Å
312P76Confident69Low8 Ų842.8 Ų42.85%0.05222%0.215CC..Hα-helixtrans-57.9-43.6174.4-22.629.5000113.9Q309 W315 L316 I352 N354 Y412Q309-P312 HydrophobicContact CB-CG 3.73Å; Q309-P312 WeakPolarHBondContact O-CD 3.02Å; P312-W315 PolarHBondContact O-N 2.88Å; P312-L316 VanDerWaalsContact O-CG 3.26Å; P312-L316 WeakPolarHBondContact O-CG 3.48Å; P312-L316 PolarHBondContact O-N 2.77Å; P312-I352 HydrophobicContact CG-CG2 4.47Å; P312-N354 WeakPolarHBondContact CD-OD1 3.38Å; P312-Y412 HydrophobicContact CG-CD1 4.32Å; P312-Y412 HydrophobicContact CG-CG 4.21Å
313V82.1Confident72Confident2 Ų239.7 Ų39.71%0.01220%0.195CC..Hα-helixtrans-68.5-42.7-179.9159.70000111.7W279 V308 Q309 R310 A311 W315 L316 M317 M656 L657 W724W279-V313 HydrophobicContact CH2-CG2 3.86Å; W279-V313 HydrophobicContact CZ2-CG2 4.45Å; V308-V313 HydrophobicContact CG1-CB 4.39Å; V308-V313 HydrophobicContact CG1-CG2 3.43Å; V308-V313 VanDerWaalsContact CG1-CG2 3.43Å; Q309-V313 PolarHBondContact O-N 2.65Å; R310-V313 PolarHBondContact O-N 3.04Å; A311-V313 PolarHBondContact O-N 2.9Å; V313-W315 VanDerWaalsContact C-N 3.33Å; V313-W315 PolarHBondContact O-N 3.22Å; V313-L316 PolarHBondContact O-N 3.31Å; V313-M317 HydrophobicContact CG1-CE 3.92Å; V313-M317 HydrophobicContact CG1-SD 4.27Å; V313-M317 WeakPolarHBondContact O-CG 3.1Å; V313-M317 PolarHBondContact O-N 3.47Å; V313-M656 HydrophobicContact CG1-CB 4.49Å; V313-M656 HydrophobicContact CG1-CE 4.31Å; V313-L657 HydrophobicContact CG1-CD2 4.14Å; V313-W724 HydrophobicContact CB-CH2 3.92Å; V313-W724 HydrophobicContact CG1-CH2 3.81Å; V313-W724 HydrophobicContact CG1-CZ2 4.4Å; V313-W724 HydrophobicContact CG1-CZ3 4.38Å
314R81.4Confident75Confident21 Ų2133.8 Ų33.88%0.07916%0.164CC..Hα-helixtrans-63.3-40.1175.9-167177.6-173.5111.80.7112.2R310 A311 M317 D318 E727 L752 N755R310-R314 PolarHBondContact O-N 3.33Å; A311-R314 PolarHBondContact O-N 3.08Å; R314-M317 PolarHBondContact O-N 2.83Å; R314-D318 PolarHBondContact O-N 3.38Å; R314-E727 IonicContact CZ-OE1 2.76Å; R314-E727 IonicContact NH1-OE1 3.03Å; R314-E727 PolarHBondContact NH1-OE1 3.34Å; R314-L752 PolarHBondContact NH2-O 2.93Å; R314-N755 PolarHBondContact NH1-O 3.39Å; R314-N755 PolarHBondContact NH2-O 3.07Å
315W83.1Confident77.9Confident49 Ų4929.4 Ų29.419%0.18614%0.143CC..Hα-helixtrans-62.6-38.6174.5177.9-103.5000113.1A311 P312 V313 Q319 Y412 H413 L415 R816A311-W315 WeakPolarHBondContact O-CB 3.39Å; A311-W315 PolarHBondContact O-N 3.3Å; P312-W315 PolarHBondContact O-N 2.88Å; V313-W315 VanDerWaalsContact C-N 3.33Å; V313-W315 PolarHBondContact O-N 3.22Å; W315-Q319 WeakPolarHBondContact O-CG 3.5Å; W315-Q319 PolarHBondContact O-N 3Å; W315-Y412 HydrophobicContact CB-CD2 3.83Å; W315-Y412 HydrophobicContact CB-CE2 4.23Å; W315-Y412 VanDerWaalsContact CD1-O 3.32Å; W315-Y412 HydrophobicContact CD2-CD2 4.1Å; W315-Y412 HydrophobicContact CD2-CE2 4.32Å; W315-Y412 HydrophobicContact CE3-CE2 4.41Å; W315-Y412 AromaticContact CG-CD2 3.73Å; W315-Y412 HydrophobicContact CG-CD2 3.73Å; W315-Y412 HydrophobicContact CG-CE2 4.27Å; W315-Y412 PolarHBondContact NE1-O 3.4Å; W315-H413 AromaticContact CH2-CD2 3.43Å; W315-H413 VanDerWaalsContact CH2-CD2 3.43Å; W315-H413 WeakPolarHBondContact CH2-CD2 3.44Å; W315-H413 HydrophobicContact CZ2-CB 4.46Å; W315-H413 AromaticContact CZ2-CD2 3.8Å; W315-H413 AromaticContact CZ3-CD2 3.64Å; W315-H413 AromaticContact CZ3-NE2 3.9Å; W315-L415 PolarHBondContact NE1-O 3.23Å; W315-R816 VanDerWaalsContact CH2-NH1 3.32Å; W315-R816 VanDerWaalsContact CZ2-NH1 3.28Å
316L88.2Confident80.5Confident1 Ų127.5 Ų27.51%0.00514%0.135CC..Hα-helixtrans-66.6-45.3171.4-70.3172.3000111.1P312 V313 Q319 I320 I344 L349 L415 V417 M656P312-L316 VanDerWaalsContact O-CG 3.26Å; P312-L316 WeakPolarHBondContact O-CG 3.48Å; P312-L316 PolarHBondContact O-N 2.77Å; V313-L316 PolarHBondContact O-N 3.31Å; L316-Q319 PolarHBondContact O-N 2.96Å; L316-I320 WeakPolarHBondContact O-CD1 3.41Å; L316-I320 WeakPolarHBondContact O-CG1 3.11Å; L316-I320 PolarHBondContact O-N 2.96Å; L316-I344 HydrophobicContact CD2-CD1 4.16Å; L316-L349 HydrophobicContact CD1-CD2 4.04Å; L316-L415 HydrophobicContact CD2-CB 4.45Å; L316-L415 HydrophobicContact CD2-CD1 4.09Å; L316-L415 HydrophobicContact CG-CD1 4.45Å; L316-V417 HydrophobicContact CB-CG2 4.36Å; L316-V417 HydrophobicContact CD2-CG2 3.27Å; L316-V417 HydrophobicContact CG-CG2 4.4Å; L316-M656 HydrophobicContact CB-CE 3.61Å; L316-M656 HydrophobicContact CD1-CE 4.07Å
317M92.1Very high83Confident1 Ų121.1 Ų21.11%0.00511%0.105CC..Hα-helixtrans-58.3-51.2179.3-73.5-178.4170.200112.1V313 R314 Q319 I320 V321 F653 M656 L657 L752V313-M317 HydrophobicContact CG1-CE 3.92Å; V313-M317 HydrophobicContact CG1-SD 4.27Å; V313-M317 WeakPolarHBondContact O-CG 3.1Å; V313-M317 PolarHBondContact O-N 3.47Å; R314-M317 PolarHBondContact O-N 2.83Å; M317-Q319 VanDerWaalsContact C-N 3.33Å; M317-Q319 PolarHBondContact O-N 3.03Å; M317-I320 PolarHBondContact O-N 3.22Å; M317-I320 VanDerWaalsContact O-N 3.15Å; M317-V321 WeakPolarHBondContact O-CG2 3.38Å; M317-V321 PolarHBondContact O-N 3.14Å; M317-F653 HydrophobicContact CB-CE1 4.15Å; M317-F653 HydrophobicContact CB-CE2 4.07Å; M317-F653 HydrophobicContact CB-CZ 3.73Å; M317-F653 HydrophobicContact CE-CB 3.75Å; M317-F653 HydrophobicContact CE-CD1 4.06Å; M317-F653 HydrophobicContact CE-CD2 4.14Å; M317-F653 HydrophobicContact CE-CG 3.73Å; M317-F653 HydrophobicContact CG-CD1 3.99Å; M317-F653 HydrophobicContact CG-CD2 4.24Å; M317-F653 HydrophobicContact CG-CE1 3.74Å; M317-F653 HydrophobicContact CG-CE2 4Å; M317-F653 HydrophobicContact CG-CG 4.24Å; M317-F653 HydrophobicContact CG-CZ 3.74Å; M317-F653 HydrophobicContact SD-CD2 4.13Å; M317-F653 HydrophobicContact SD-CE2 4.31Å; M317-F653 HydrophobicContact SD-CG 4.27Å; M317-M656 HydrophobicContact CE-CB 4.06Å; M317-M656 HydrophobicContact CG-CE 3.96Å; M317-M656 HydrophobicContact CG-SD 4.45Å; M317-L657 HydrophobicContact CE-CD1 3.98Å; M317-L657 HydrophobicContact CE-CD2 3.68Å; M317-L657 HydrophobicContact CE-CG 3.63Å; M317-L752 HydrophobicContact CB-CD1 4.31Å
318D89.7Confident85Confident25 Ų2518.5 Ų18.513%0.1349%0.087CC..Hα-helixtrans-56.1-46.2178.4-179.586.4000111.6R314 I320 V321 S322 R765R314-D318 PolarHBondContact O-N 3.38Å; D318-I320 PolarHBondContact O-N 3.32Å; D318-V321 PolarHBondContact O-N 3Å; D318-S322 WeakPolarHBondContact O-CB 3.33Å; D318-S322 PolarHBondContact O-N 3.35Å; D318-R765 IonicContact OD1-CZ 3.54Å; D318-R765 IonicContact OD1-NH2 2.67Å; D318-R765 PolarHBondContact OD1-NH2 3.32Å; D318-R765 IonicContact OD2-NH2 2.72Å
319Q89.5Confident86.6Confident6 Ų621.6 Ų21.63%0.02811%0.11CC..Hα-helixtrans-65.5-36.7177.2-75.8-1698700113.9N128 W315 L316 M317 G323 L415 V417N128-Q319 WeakPolarHBondContact CB-O 3.48Å; N128-Q319 VanDerWaalsContact CG-O 3.31Å; N128-Q319 PolarHBondContact ND2-OE1 2.97Å; W315-Q319 WeakPolarHBondContact O-CG 3.5Å; W315-Q319 PolarHBondContact O-N 3Å; L316-Q319 PolarHBondContact O-N 2.96Å; M317-Q319 VanDerWaalsContact C-N 3.33Å; M317-Q319 PolarHBondContact O-N 3.03Å; Q319-G323 PolarHBondContact O-N 3.45Å; Q319-G323 VanDerWaalsContact O-N 3.08Å; Q319-L415 PolarHBondContact NE2-O 3.36Å; Q319-V417 HydrophobicContact CB-CB 3.91Å; Q319-V417 HydrophobicContact CB-CG2 3.93Å
320I95.3Very high87.7Confident1 Ų122.4 Ų22.41%0.00511%0.113CC..Hα-helixtrans-63.1-51.5174.5-69.4163.4000110L276 L316 M317 D318 S322 G323 V324 V342 V417 L649 F653 M656L276-I320 HydrophobicContact CD2-CD1 4.36Å; L316-I320 WeakPolarHBondContact O-CD1 3.41Å; L316-I320 WeakPolarHBondContact O-CG1 3.11Å; L316-I320 PolarHBondContact O-N 2.96Å; M317-I320 PolarHBondContact O-N 3.22Å; M317-I320 VanDerWaalsContact O-N 3.15Å; D318-I320 PolarHBondContact O-N 3.32Å; I320-S322 VanDerWaalsContact C-N 3.31Å; I320-S322 PolarHBondContact O-N 2.82Å; I320-G323 PolarHBondContact O-N 2.79Å; I320-V324 PolarHBondContact O-N 3.14Å; I320-V342 HydrophobicContact CD1-CG1 4Å; I320-V342 HydrophobicContact CG1-CG1 3.89Å; I320-V417 HydrophobicContact CG1-CB 4.4Å; I320-V417 HydrophobicContact CG1-CG1 3.63Å; I320-L649 HydrophobicContact CG2-CD2 3.34Å; I320-F653 HydrophobicContact CB-CE1 4.25Å; I320-F653 HydrophobicContact CB-CZ 4.41Å; I320-F653 HydrophobicContact CD1-CE1 4.04Å; I320-F653 HydrophobicContact CG2-CE1 4.07Å; I320-F653 HydrophobicContact CG2-CZ 4.34Å; I320-M656 HydrophobicContact CD1-CE 4.16Å; I320-M656 HydrophobicContact CD1-SD 3.88Å
321V95.6Very high88.7Confident0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-69.1-32.8-178.7-1670000111.3M317 D318 G323 V324 A325 L649 F653 A745 I748 L749 L752M317-V321 WeakPolarHBondContact O-CG2 3.38Å; M317-V321 PolarHBondContact O-N 3.14Å; D318-V321 PolarHBondContact O-N 3Å; V321-G323 VanDerWaalsContact C-N 3.33Å; V321-G323 PolarHBondContact O-N 3.48Å; V321-V324 CarbonylContact O-C 3.59Å; V321-V324 PolarHBondContact O-N 2.91Å; V321-V324 VanDerWaalsContact O-N 3.15Å; V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 2.9Å; V321-L649 HydrophobicContact CG2-CD1 4.25Å; V321-F653 HydrophobicContact CG2-CE2 3.69Å; V321-F653 HydrophobicContact CG2-CZ 3.47Å; V321-F653 VanDerWaalsContact CG2-CZ 3.47Å; V321-A745 HydrophobicContact CG1-CB 4.05Å; V321-A745 VanDerWaalsContact CG1-O 3.29Å; V321-A745 WeakPolarHBondContact CG1-O 3.47Å; V321-I748 HydrophobicContact CB-CG2 4.39Å; V321-I748 HydrophobicContact CG1-CB 3.97Å; V321-I748 HydrophobicContact CG1-CD1 4.47Å; V321-I748 HydrophobicContact CG1-CG2 3.91Å; V321-I748 HydrophobicContact CG2-CG2 3.82Å; V321-L749 HydrophobicContact CB-CD1 4.48Å; V321-L749 HydrophobicContact CB-CD2 3.68Å; V321-L749 HydrophobicContact CB-CG 3.94Å; V321-L749 HydrophobicContact CG1-CD1 4.09Å; V321-L749 HydrophobicContact CG1-CD2 4.02Å; V321-L749 HydrophobicContact CG1-CG 3.67Å; V321-L752 HydrophobicContact CG2-CD1 4.17Å
322S91.5Very high89.6Confident23 Ų2320.3 Ų20.316%0.16111%0.108CC..Hα-helixtrans-58.1-45.1172.6-173.60000111.3H126 D318 I320 A325 Y326H126-S322 PolarHBondContact CE1-OG 2.93Å; D318-S322 WeakPolarHBondContact O-CB 3.33Å; D318-S322 PolarHBondContact O-N 3.35Å; I320-S322 VanDerWaalsContact C-N 3.31Å; I320-S322 PolarHBondContact O-N 2.82Å; S322-A325 PolarHBondContact O-N 2.9Å; S322-Y326 PolarHBondContact O-N 3.41Å; S322-Y326 VanDerWaalsContact O-N 3.13Å
323G92.9Very high90.3Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-59.3-46.1171.400000113.1Q319 I320 V321 Y326 L327Q319-G323 PolarHBondContact O-N 3.45Å; Q319-G323 VanDerWaalsContact O-N 3.08Å; I320-G323 PolarHBondContact O-N 2.79Å; V321-G323 VanDerWaalsContact C-N 3.33Å; V321-G323 PolarHBondContact O-N 3.48Å; G323-Y326 PolarHBondContact O-N 3.33Å; G323-L327 WeakPolarHBondContact O-CG 3.33Å; G323-L327 PolarHBondContact O-N 3.44Å; G323-L327 VanDerWaalsContact O-N 3.11Å
324V95.8Very high90.7Very high0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-68.5-38179.7175.60000112.5I320 V321 Y326 L327 H328 L337 I419 D645 L649 A745I320-V324 PolarHBondContact O-N 3.14Å; V321-V324 CarbonylContact O-C 3.59Å; V321-V324 PolarHBondContact O-N 2.91Å; V321-V324 VanDerWaalsContact O-N 3.15Å; V324-Y326 VanDerWaalsContact C-N 3.33Å; V324-Y326 PolarHBondContact O-N 2.99Å; V324-L327 WeakPolarHBondContact O-CB 3.49Å; V324-L327 PolarHBondContact O-N 3.4Å; V324-H328 WeakPolarHBondContact CG1-CE1 3.49Å; V324-H328 WeakPolarHBondContact CG1-NE2 3.28Å; V324-H328 PolarHBondContact O-CD2 2.76Å; V324-H328 VanDerWaalsContact O-CG 3.27Å; V324-H328 PolarHBondContact O-N 2.76Å; V324-L337 HydrophobicContact CG2-CD1 3.69Å; V324-I419 HydrophobicContact CB-CD1 4.38Å; V324-I419 HydrophobicContact CG2-CD1 3.44Å; V324-I419 VanDerWaalsContact CG2-CD1 3.44Å; V324-D645 HydrophobicContact CG1-CB 4.34Å; V324-L649 HydrophobicContact CB-CD1 4.11Å; V324-L649 HydrophobicContact CG1-CD1 4.1Å; V324-L649 HydrophobicContact CG2-CD1 3.92Å; V324-L649 HydrophobicContact CG2-CD2 4.1Å; V324-L649 HydrophobicContact CG2-CG 4.29Å; V324-A745 HydrophobicContact CG1-CB 4.29Å
325A93.6Very high91Very high11 Ų1122.7 Ų22.79%0.09112%0.116CC..Hα-helixtrans-61.1-43.2175.600000111.3V321 S322 H328 S329 A745 M746 L749V321-A325 WeakPolarHBondContact O-CB 3.44Å; V321-A325 PolarHBondContact O-N 2.9Å; S322-A325 PolarHBondContact O-N 2.9Å; A325-H328 PolarHBondContact O-N 3.03Å; A325-S329 PolarHBondContact O-N 3.47Å; A325-S329 PolarHBondContact O-OG 3.06Å; A325-A745 HydrophobicContact CB-CB 3.71Å; A325-M746 HydrophobicContact CB-SD 4.06Å; A325-L749 HydrophobicContact CB-CD1 3.61Å
326Y93.3Very high91.2Very high40 Ų4020.8 Ų20.816%0.15711%0.109CC..Hα-helixtrans-62.5-40.6173.8174.5-104.3000112.9L124 N125 H126 I129 S322 G323 V324 H328 S329 E330L124-Y326 HydrophobicContact CB-CE1 4.15Å; L124-Y326 HydrophobicContact CD2-CD1 4.38Å; L124-Y326 HydrophobicContact CD2-CE1 3.67Å; N125-Y326 PolarHBondContact N-OH 2.68Å; H126-Y326 HydrophobicContact CB-CD1 3.34Å; H126-Y326 HydrophobicContact CB-CD2 4.15Å; H126-Y326 HydrophobicContact CB-CE1 3.53Å; H126-Y326 HydrophobicContact CB-CE2 4.35Å; H126-Y326 HydrophobicContact CB-CG 3.66Å; H126-Y326 AromaticContact CG-CD1 3.91Å; H126-Y326 AromaticContact CG-CG 3.79Å; I129-Y326 HydrophobicContact CG1-CD1 3.82Å; I129-Y326 HydrophobicContact CG1-CE1 4.24Å; S322-Y326 PolarHBondContact O-N 3.41Å; S322-Y326 VanDerWaalsContact O-N 3.13Å; G323-Y326 PolarHBondContact O-N 3.33Å; V324-Y326 VanDerWaalsContact C-N 3.33Å; V324-Y326 PolarHBondContact O-N 2.99Å; Y326-H328 VanDerWaalsContact C-N 3.32Å; Y326-H328 PolarHBondContact O-N 3.48Å; Y326-S329 WeakPolarHBondContact CA-OG 3.49Å; Y326-S329 PolarHBondContact O-N 2.91Å; Y326-S329 PolarHBondContact O-OG 3.15Å; Y326-E330 HydrophobicContact CD2-CG 4.47Å; Y326-E330 HydrophobicContact CE1-CG 4.26Å; Y326-E330 HydrophobicContact CE2-CG 3.83Å; Y326-E330 PolarHBondContact O-N 3.43Å
327L92.7Very high91.4Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-60.6-44.2172.7-66.2174.6000111.3L124 I129 G323 V324 S329 E330 N331 V332 H334 I419 F422L124-L327 HydrophobicContact CD1-CD2 3.47Å; L124-L327 VanDerWaalsContact CD1-CD2 3.47Å; L124-L327 HydrophobicContact CD2-CD2 3.8Å; L124-L327 HydrophobicContact CG-CD2 4.26Å; I129-L327 HydrophobicContact CD1-CD1 4.1Å; I129-L327 HydrophobicContact CD1-CD2 3.8Å; I129-L327 HydrophobicContact CD1-CG 3.82Å; G323-L327 WeakPolarHBondContact O-CG 3.33Å; G323-L327 PolarHBondContact O-N 3.44Å; G323-L327 VanDerWaalsContact O-N 3.11Å; V324-L327 WeakPolarHBondContact O-CB 3.49Å; V324-L327 PolarHBondContact O-N 3.4Å; L327-S329 PolarHBondContact O-N 3.21Å; L327-E330 CarbonylContact O-C 3.54Å; L327-E330 PolarHBondContact O-N 3.11Å; L327-N331 PolarHBondContact O-N 3.45Å; L327-V332 CarbonylContact C-O 3.59Å; L327-V332 HydrophobicContact CB-CB 4.29Å; L327-V332 HydrophobicContact CD2-CB 4.39Å; L327-V332 HydrophobicContact CD2-CG1 4.39Å; L327-V332 WeakPolarHBondContact O-CA 2.91Å; L327-V332 WeakPolarHBondContact O-CB 3.5Å; L327-V332 PolarHBondContact O-N 2.97Å; L327-H334 HydrophobicContact CD1-CB 4.34Å; L327-I419 HydrophobicContact CD1-CD1 4.13Å; L327-I419 HydrophobicContact CD1-CG2 4.26Å; L327-F422 HydrophobicContact CD1-CE1 3.9Å; L327-F422 HydrophobicContact CD2-CD1 4.39Å; L327-F422 HydrophobicContact CD2-CE1 3.56Å; L327-F422 HydrophobicContact CD2-CZ 4.27Å; L327-F422 HydrophobicContact CG-CE1 4.39Å
328H93.1Very high91.4Very high29 Ų2921.9 Ų21.913%0.13411%0.114CC..Hα-helixtrans-67.5-34.7-179.1-66.7179.8000112.1V324 A325 Y326 N331 V332 Y642 D645V324-H328 WeakPolarHBondContact CG1-CE1 3.49Å; V324-H328 WeakPolarHBondContact CG1-NE2 3.28Å; V324-H328 PolarHBondContact O-CD2 2.76Å; V324-H328 VanDerWaalsContact O-CG 3.27Å; V324-H328 PolarHBondContact O-N 2.76Å; A325-H328 PolarHBondContact O-N 3.03Å; Y326-H328 VanDerWaalsContact C-N 3.32Å; Y326-H328 PolarHBondContact O-N 3.48Å; H328-N331 PolarHBondContact O-N 3.45Å; H328-V332 PolarHBondContact CD2-O 2.72Å; H328-Y642 PolarHBondContact CE1-O 2.97Å; H328-Y642 VanDerWaalsContact CE1-O 3.26Å; H328-Y642 AromaticContact ND1-CD2 3.75Å; H328-D645 IonicContact CD2-OD2 3.61Å; H328-D645 IonicContact CE1-OD2 3.81Å; H328-D645 IonicContact NE2-OD2 2.68Å; H328-D645 PolarHBondContact NE2-OD2 2.92Å
329S91.1Very high91.6Very high84 Ų8420.7 Ų20.759%0.58711%0.108SC*.Hα-helixtrans-70.3-31.6172.258.70000113.4A325 Y326 L327 N331A325-S329 PolarHBondContact O-N 3.47Å; A325-S329 PolarHBondContact O-OG 3.06Å; Y326-S329 WeakPolarHBondContact CA-OG 3.49Å; Y326-S329 PolarHBondContact O-N 2.91Å; Y326-S329 PolarHBondContact O-OG 3.15Å; L327-S329 PolarHBondContact O-N 3.21Å; S329-N331 PolarHBondContact O-N 3.38Å
330E90Very high91.6Very high60 Ų6023.7 Ų23.728%0.2812%0.122SC..THydrogen-bonded Turntrans-79.314.6171.3-73.9-67148.700113.1R123 L124 Y326 L327 V332R123-E330 IonicContact NH2-OE2 2.67Å; R123-E330 PolarHBondContact NH2-OE2 2.81Å; L124-E330 HydrophobicContact CD2-CB 3.95Å; L124-E330 HydrophobicContact CD2-CG 4.01Å; Y326-E330 HydrophobicContact CD2-CG 4.47Å; Y326-E330 HydrophobicContact CE1-CG 4.26Å; Y326-E330 HydrophobicContact CE2-CG 3.83Å; Y326-E330 PolarHBondContact O-N 3.43Å; L327-E330 CarbonylContact O-C 3.54Å; L327-E330 PolarHBondContact O-N 3.11Å; E330-V332 HydrophobicContact CB-CG2 4.08Å; E330-V332 WeakPolarHBondContact O-CG2 3.31Å; E330-V332 PolarHBondContact O-N 2.88Å
331N88Confident91.5Very high60 Ų6024.1 Ų24.132%0.32112%0.124SC..THydrogen-bonded Turntrans5824.6-177-78-32.9000114L327 H328 S329 I427 L428 D430L327-N331 PolarHBondContact O-N 3.45Å; H328-N331 PolarHBondContact O-N 3.45Å; S329-N331 PolarHBondContact O-N 3.38Å; N331-I427 CarbonylContact O-C 3.51Å; N331-I427 WeakPolarHBondContact O-CA 3.45Å; N331-L428 HydrophobicContact CB-CB 4.19Å; N331-L428 WeakPolarHBondContact CB-O 3.44Å; N331-L428 PolarHBondContact O-N 2.87Å; N331-D430 PolarHBondContact ND2-OD1 2.84Å
332V87.1Confident91.5Very high6 Ų624.1 Ų24.14%0.03612%0.124CC..EExtended strand (participates in β ladder)trans-100.7120180-172.70000111.1T120 L124 L327 H328 E330 A425 I427T120-V332 HydrophobicContact CG2-CG1 3.74Å; T120-V332 HydrophobicContact CG2-CG2 4.09Å; L124-V332 HydrophobicContact CD2-CG2 4.24Å; L327-V332 CarbonylContact C-O 3.59Å; L327-V332 HydrophobicContact CB-CB 4.29Å; L327-V332 HydrophobicContact CD2-CB 4.39Å; L327-V332 HydrophobicContact CD2-CG1 4.39Å; L327-V332 WeakPolarHBondContact O-CA 2.91Å; L327-V332 WeakPolarHBondContact O-CB 3.5Å; L327-V332 PolarHBondContact O-N 2.97Å; H328-V332 PolarHBondContact CD2-O 2.72Å; E330-V332 HydrophobicContact CB-CG2 4.08Å; E330-V332 WeakPolarHBondContact O-CG2 3.31Å; E330-V332 PolarHBondContact O-N 2.88Å; V332-A425 HydrophobicContact CG1-CB 3.9Å; V332-I427 HydrophobicContact CG2-CG1 4.37Å
333I89.5Confident91.5Very high1 Ų124.6 Ų24.61%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-93.2128.3165.2-50.3175.3000108.2R335 A425 R426 L428 Y640 V644 D645I333-R335 HydrophobicContact CB-CG 4.19Å; I333-R335 HydrophobicContact CG2-CG 3.61Å; I333-A425 CarbonylContact O-C 3.49Å; I333-A425 VanDerWaalsContact O-CA 3.29Å; I333-A425 WeakPolarHBondContact O-CA 3.22Å; I333-R426 PolarHBondContact N-O 3.4Å; I333-R426 PolarHBondContact O-N 2.87Å; I333-L428 HydrophobicContact CD1-CD1 4.16Å; I333-L428 HydrophobicContact CD1-CD2 3.94Å; I333-L428 HydrophobicContact CD1-CG 4.14Å; I333-L428 HydrophobicContact CG1-CD1 4.37Å; I333-L428 HydrophobicContact CG1-CG 4.34Å; I333-Y640 HydrophobicContact CD1-CD2 4.43Å; I333-V644 HydrophobicContact CG2-CG2 3.47Å; I333-V644 VanDerWaalsContact CG2-CG2 3.47Å; I333-D645 WeakPolarHBondContact CA-OD2 3.29Å; I333-D645 WeakPolarHBondContact CG2-OD2 3.42Å
334H90.6Very high91.3Very high0 Ų024.6 Ų24.60%013%0.125CC..  trans-76.2-42.7-175.4-167.7-81.6000113.3L327 D336 L337 C420 F422 L424 D645L327-H334 HydrophobicContact CD1-CB 4.34Å; H334-D336 PolarHBondContact CE1-O 3.24Å; H334-D336 VanDerWaalsContact ND1-C 3.33Å; H334-D336 PolarHBondContact ND1-O 3.15Å; H334-D336 PolarHBondContact O-N 3.04Å; H334-L337 HydrophobicContact CB-CD1 4.37Å; H334-L337 HydrophobicContact CB-CD2 4.11Å; H334-L337 HydrophobicContact CB-CG 3.84Å; H334-L337 PolarHBondContact ND1-N 3.34Å; H334-C420 PolarHBondContact CE1-O 3.38Å; H334-C420 PolarHBondContact NE2-O 3.45Å; H334-F422 AromaticContact CD2-CD1 3.76Å; H334-F422 AromaticContact CD2-CE1 3.62Å; H334-F422 AromaticContact NE2-CD1 4Å; H334-F422 AromaticContact NE2-CE1 3.95Å; H334-L424 CarbonylContact O-C 3.58Å; H334-D645 PolarHBondContact N-OD1 3.36Å; H334-D645 PolarHBondContact N-OD2 2.8Å
335R87.6Confident90.8Very high80 Ų8025.2 Ų25.230%0.30213%0.129SC..SBendtrans66.2-17.9176.2-51.9-170.4-68.5169.2-1118.3I333 L424 A425 Y640 D645I333-R335 HydrophobicContact CB-CG 4.19Å; I333-R335 HydrophobicContact CG2-CG 3.61Å; R335-L424 PolarHBondContact NE-O 3.4Å; R335-L424 PolarHBondContact NH2-O 3.12Å; R335-A425 PolarHBondContact NH2-O 3.29Å; R335-Y640 WeakPolarHBondContact CD-OH 3.36Å; R335-Y640 HydrophobicContact CG-CE2 4.18Å; R335-Y640 PolarHBondContact NH1-OH 3.23Å; R335-D645 PolarHBondContact N-OD1 2.88Å
336D88.3Confident90.2Very high8 Ų826.1 Ų26.14%0.04314%0.139CC..  trans-129.649.6173.4-17237000110.8H334 K338 N341 L424 S618H334-D336 PolarHBondContact CE1-O 3.24Å; H334-D336 VanDerWaalsContact ND1-C 3.33Å; H334-D336 PolarHBondContact ND1-O 3.15Å; H334-D336 PolarHBondContact O-N 3.04Å; D336-K338 VanDerWaalsContact CG-NZ 3.3Å; D336-K338 PolarHBondContact O-N 3.48Å; D336-K338 IonicContact OD1-NZ 3.69Å; D336-K338 PolarHBondContact OD1-NZ 3.21Å; D336-K338 IonicContact OD2-NZ 2.78Å; D336-K338 PolarHBondContact OD2-NZ 3.4Å; D336-N341 PolarHBondContact O-ND2 3.05Å; D336-N341 PolarHBondContact OD2-ND2 2.88Å; D336-L424 HydrophobicContact CB-CB 4.21Å; D336-L424 HydrophobicContact CB-CD1 3.9Å; D336-S618 VanDerWaalsContact OD1-CB 3.29Å; D336-S618 WeakPolarHBondContact OD1-CB 3.35Å; D336-S618 PolarHBondContact OD1-OG 3.43Å
337L92.9Very high89.3Confident1 Ų125 Ų251%0.00514%0.137CC..  trans-73.6123.7170-74.5177.8000109.5V324 H334 I419 Y621 D645 L649 I652V324-L337 HydrophobicContact CG2-CD1 3.69Å; H334-L337 HydrophobicContact CB-CD1 4.37Å; H334-L337 HydrophobicContact CB-CD2 4.11Å; H334-L337 HydrophobicContact CB-CG 3.84Å; H334-L337 PolarHBondContact ND1-N 3.34Å; L337-I419 HydrophobicContact CD2-CG2 3.71Å; L337-Y621 WeakPolarHBondContact O-CB 3.4Å; L337-D645 HydrophobicContact CD1-CB 3.7Å; L337-L649 HydrophobicContact CD1-CD2 4.07Å; L337-L649 HydrophobicContact CD1-CG 4.1Å; L337-I652 HydrophobicContact CB-CD1 4.35Å
338K92.2Very high88.2Confident24 Ų2426.9 Ų26.910%0.10415%0.149CC..  trans-157.4162.2179.661.5-172.6-177-135.30109D336 E340 N341 V342 S618 Y621D336-K338 VanDerWaalsContact CG-NZ 3.3Å; D336-K338 PolarHBondContact O-N 3.48Å; D336-K338 IonicContact OD1-NZ 3.69Å; D336-K338 PolarHBondContact OD1-NZ 3.21Å; D336-K338 IonicContact OD2-NZ 2.78Å; D336-K338 PolarHBondContact OD2-NZ 3.4Å; K338-E340 HydrophobicContact CD-CB 4.42Å; K338-E340 WeakPolarHBondContact CD-OE2 3.39Å; K338-E340 HydrophobicContact CG-CB 4.23Å; K338-E340 VanDerWaalsContact CG-OE2 3.29Å; K338-E340 WeakPolarHBondContact CG-OE2 3.34Å; K338-E340 PolarHBondContact O-N 3.19Å; K338-E340 VanDerWaalsContact O-N 3.13Å; K338-N341 WeakPolarHBondContact CE-ND2 3.36Å; K338-N341 WeakPolarHBondContact CE-OD1 3.33Å; K338-N341 HydrophobicContact CG-CB 4.1Å; K338-N341 PolarHBondContact O-N 3.03Å; K338-V342 PolarHBondContact O-N 3Å; K338-S618 WeakPolarHBondContact CD-OG 3.49Å; K338-S618 PolarHBondContact NZ-OG 3.49Å; K338-Y621 HydrophobicContact CB-CD2 3.55Å; K338-Y621 HydrophobicContact CB-CE2 3.77Å; K338-Y621 HydrophobicContact CB-CG 3.98Å
339P92.9Very high86.9Confident1 Ų126.9 Ų26.91%0.00615%0.15CC..G310 helixtrans-59.3-25.4-177.4-25.436.1000114.7L276 A277 L280 N341 Y621 I652L276-P339 HydrophobicContact CB-CB 4.09Å; L276-P339 WeakPolarHBondContact CB-O 3.11Å; L276-P339 HydrophobicContact CD2-CB 4.26Å; L276-P339 HydrophobicContact CG-CB 4.19Å; L276-P339 PolarHBondContact N-O 3.27Å; L276-P339 VanDerWaalsContact N-O 3.14Å; A277-P339 HydrophobicContact CB-CB 3.87Å; A277-P339 PolarHBondContact N-O 3.5Å; A277-P339 VanDerWaalsContact N-O 3.08Å; L280-P339 HydrophobicContact CD1-CB 3.75Å; L280-P339 HydrophobicContact CD1-CG 3.74Å; P339-N341 VanDerWaalsContact C-N 3.31Å; P339-Y621 VanDerWaalsContact CD-CE1 3.45Å; P339-Y621 VanDerWaalsContact CD-OH 3.31Å; P339-Y621 WeakPolarHBondContact CD-OH 3.11Å; P339-Y621 HydrophobicContact CG-CE1 4Å; P339-I652 HydrophobicContact CG-CG1 4.2Å
340E90.7Very high85.8Confident69 Ų6927.9 Ų27.932%0.32215%0.145SC..G310 helixtrans-67.6-30.5173.5-61.783.1173.400112.7A277 K338A277-E340 HydrophobicContact CB-CG 3.82Å; K338-E340 HydrophobicContact CD-CB 4.42Å; K338-E340 WeakPolarHBondContact CD-OE2 3.39Å; K338-E340 HydrophobicContact CG-CB 4.23Å; K338-E340 VanDerWaalsContact CG-OE2 3.29Å; K338-E340 WeakPolarHBondContact CG-OE2 3.34Å; K338-E340 PolarHBondContact O-N 3.19Å; K338-E340 VanDerWaalsContact O-N 3.13Å
341N92.9Very high84.8Confident9 Ų926.8 Ų26.85%0.04814%0.144CC..G310 helixtrans-946.5-177.4-69.3-0.7000113.1D336 K338 P339 C420D336-N341 PolarHBondContact O-ND2 3.05Å; D336-N341 PolarHBondContact OD2-ND2 2.88Å; K338-N341 WeakPolarHBondContact CE-ND2 3.36Å; K338-N341 WeakPolarHBondContact CE-OD1 3.33Å; K338-N341 HydrophobicContact CG-CB 4.1Å; K338-N341 PolarHBondContact O-N 3.03Å; P339-N341 VanDerWaalsContact C-N 3.31Å; N341-C420 PolarHBondContact O-N 3.21Å
342V93.9Very high83.8Confident1 Ų124.4 Ų24.41%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-109.9100.5173.5178.40000107.9N275 L276 I320 K338 V417N275-V342 CarbonylContact C-O 3.23Å; N275-V342 WeakPolarHBondContact CA-O 3.44Å; L276-V342 HydrophobicContact CB-CB 3.94Å; L276-V342 HydrophobicContact CB-CG1 4.03Å; L276-V342 HydrophobicContact CD2-CB 4.26Å; L276-V342 HydrophobicContact CD2-CG1 4.13Å; L276-V342 PolarHBondContact N-O 2.88Å; I320-V342 HydrophobicContact CD1-CG1 4Å; I320-V342 HydrophobicContact CG1-CG1 3.89Å; K338-V342 PolarHBondContact O-N 3Å; V342-V417 HydrophobicContact CG1-CG1 3.37Å
343L92.6Very high82.7Confident32 Ų3226.2 Ų26.217%0.16814%0.142CC..EExtended strand (participates in β ladder)trans-88.3151.2-178.9-52.1-169.4000111.5V130 C272 Y274 N275 V417 K418 C420V130-L343 HydrophobicContact CG2-CD1 3.74Å; V130-L343 HydrophobicContact CG2-CG 4.33Å; C272-L343 HydrophobicContact CB-CB 3.59Å; C272-L343 HydrophobicContact CB-CD1 3.72Å; C272-L343 HydrophobicContact CB-CG 4.27Å; Y274-L343 CarbonylContact O-C 3.58Å; Y274-L343 WeakPolarHBondContact O-CA 3.25Å; N275-L343 HydrophobicContact CB-CD2 3.71Å; L343-V417 CarbonylContact O-C 3.56Å; L343-V417 WeakPolarHBondContact O-CA 3.36Å; L343-V417 WeakPolarHBondContact O-CG1 3.28Å; L343-K418 WeakPolarHBondContact CB-O 3.36Å; L343-K418 PolarHBondContact N-O 3.05Å; L343-K418 PolarHBondContact O-N 2.89Å; L343-C420 HydrophobicContact CD1-CB 3.98Å; L343-C420 HydrophobicContact CG-CB 4.1Å
344I88.4Confident81.4Confident1 Ų130 Ų301%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-129.7125.9-179.3-52.5177.1000109.4Y274 L276 L316 L349 L415Y274-I344 PolarHBondContact N-O 3.46Å; Y274-I344 PolarHBondContact O-N 3.43Å; L276-I344 HydrophobicContact CB-CD1 4.46Å; L276-I344 HydrophobicContact CD1-CD1 4.06Å; L316-I344 HydrophobicContact CD2-CD1 4.16Å; I344-L349 HydrophobicContact CD1-CD1 4.25Å; I344-L349 HydrophobicContact CG2-CD1 3.98Å; I344-L415 HydrophobicContact CG2-CD2 3.81Å
345C85.9Confident79.8Confident13 Ų1334.8 Ų34.89%0.08819%0.187CC..EExtended strand (participates in β ladder)trans-105.8148.9170.2-57.70000110.8C272 Q273 L415 I416C272-C345 VanDerWaalsContact CB-SG 3.59Å; C272-C345 PolarHBondContact SG-SG 3.46Å; Q273-C345 VanDerWaalsContact OE1-CA 3.24Å; C345-L415 WeakPolarHBondContact O-CA 3.37Å; C345-I416 HydrophobicContact CB-CB 4.35Å; C345-I416 PolarHBondContact N-O 3.05Å; C345-I416 PolarHBondContact O-N 2.96Å
346G81Confident78.2Confident30 Ų3032.1 Ų32.131%0.30918%0.18SC..SBendtrans126.8-164.3178.200000112.8
347P73.1Confident76.7Confident17 Ų1732.1 Ų32.111%0.1118%0.181CC..SBendtrans-59.6154174.2-21.532.1000112.3L349 I352 N410 Q414P347-L349 PolarHBondContact O-N 3.04Å; P347-I352 HydrophobicContact CB-CD1 4.25Å; P347-I352 HydrophobicContact CB-CG1 4.17Å; P347-N410 HydrophobicContact CB-CB 4.09Å; P347-N410 HydrophobicContact CG-CB 4.28Å; P347-Q414 HydrophobicContact CG-CB 3.95Å
348P69.6Low74.5Confident39 Ų3936.6 Ų36.625%0.25321%0.208SC..  trans-58.2130.2172.1-17.527.9000110.7H350 S351P348-H350 WeakPolarHBondContact CB-CE1 3.48Å; P348-H350 PolarHBondContact O-N 3.16Å; P348-H350 VanDerWaalsContact O-N 3.08Å; P348-S351 WeakPolarHBondContact O-CB 2.99Å; P348-S351 PolarHBondContact O-N 2.77Å; P348-S351 PolarHBondContact O-OG 3.24Å
349L67.3Low72.3Confident28 Ų2837.7 Ų37.715%0.14722%0.219CC..G310 helixtrans-59.3-28.3-172-96.188.1000114.9W279 L316 I344 P347 S351 I352 L415W279-L349 VanDerWaalsContact CD1-CB 3.47Å; W279-L349 VanDerWaalsContact CD1-CD2 3.49Å; W279-L349 HydrophobicContact CD2-CD2 4.05Å; W279-L349 HydrophobicContact CG-CD2 3.94Å; W279-L349 HydrophobicContact CZ2-CD2 4.28Å; W279-L349 VanDerWaalsContact NE1-CD2 3.27Å; L316-L349 HydrophobicContact CD1-CD2 4.04Å; I344-L349 HydrophobicContact CD1-CD1 4.25Å; I344-L349 HydrophobicContact CG2-CD1 3.98Å; P347-L349 PolarHBondContact O-N 3.04Å; L349-S351 PolarHBondContact O-N 3.25Å; L349-I352 HydrophobicContact CG-CD1 4.3Å; L349-I352 WeakPolarHBondContact O-CB 3.2Å; L349-I352 PolarHBondContact O-N 3.43Å; L349-I352 VanDerWaalsContact O-N 3.14Å; L349-L415 HydrophobicContact CD1-CD1 4.05Å; L349-L415 HydrophobicContact CD1-CD2 3.6Å; L349-L415 HydrophobicContact CD1-CG 4.48Å; L349-L415 HydrophobicContact CD2-CD1 4.1Å; L349-L415 HydrophobicContact CG-CD1 3.96Å; L349-L415 HydrophobicContact CG-CD2 4.22Å
350H67.1Low70.1Confident106 Ų10639.1 Ų39.149%0.49123%0.226SC..G310 helixtrans-65.6-19.5175.262-111000113.5H282 P348H282-H350 AromaticContact NE2-ND1 3.92Å; P348-H350 WeakPolarHBondContact CB-CE1 3.48Å; P348-H350 PolarHBondContact O-N 3.16Å; P348-H350 VanDerWaalsContact O-N 3.08Å
351S68.6Low67.6Low37 Ų3739.4 Ų39.426%0.25923%0.232SC..G310 helixtrans-89.1-7.7177.672.80000112.7P348 L349 N410P348-S351 WeakPolarHBondContact O-CB 2.99Å; P348-S351 PolarHBondContact O-N 2.77Å; P348-S351 PolarHBondContact O-OG 3.24Å; L349-S351 PolarHBondContact O-N 3.25Å; S351-N410 WeakPolarHBondContact CB-ND2 3.23Å; S351-N410 WeakPolarHBondContact O-CB 3.18Å; S351-N410 PolarHBondContact OG-ND2 3.27Å
352I68.5Low64.8Low10 Ų1042.8 Ų42.85%0.05125%0.25CS..  trans-84.5135.1-169.4-70-177000111.5P312 P347 L349 N410 L415P312-I352 HydrophobicContact CG-CG2 4.47Å; P347-I352 HydrophobicContact CB-CD1 4.25Å; P347-I352 HydrophobicContact CB-CG1 4.17Å; L349-I352 HydrophobicContact CG-CD1 4.3Å; L349-I352 WeakPolarHBondContact O-CB 3.2Å; L349-I352 PolarHBondContact O-N 3.43Å; L349-I352 VanDerWaalsContact O-N 3.14Å; I352-N410 WeakPolarHBondContact CA-O 3.33Å; I352-N410 HydrophobicContact CG1-CB 4.36Å; I352-L415 HydrophobicContact CD1-CD1 3.65Å; I352-L415 HydrophobicContact CD1-CD2 3.36Å; I352-L415 HydrophobicContact CD1-CG 3.44Å; I352-L415 VanDerWaalsContact CD1-CG 3.44Å
353T62.6Low61.9Low43 Ų4348.7 Ų48.726%0.26427%0.272SS..BIsolated β-bridgetrans-96.2151.5175.963.50000110.5I355 N410T353-I355 PolarHBondContact O-N 2.99Å; T353-I355 VanDerWaalsContact O-N 3.08Å; T353-I355 PolarHBondContact OG1-N 2.99Å; T353-N410 PolarHBondContact N-O 3.46Å; T353-N410 PolarHBondContact OG1-O 3.13Å
354N62.7Low59Low80 Ų8052.4 Ų52.443%0.42828%0.284SS..SBendtrans-63.1-1.8164.2-90.7-40.1000113.4Q309 P312Q309-N354 WeakPolarHBondContact CB-OD1 3.35Å; Q309-N354 WeakPolarHBondContact CG-ND2 3.2Å; Q309-N354 PolarHBondContact OE1-OD1 3Å; P312-N354 WeakPolarHBondContact CD-OD1 3.38Å
355I57.6Low56.3Low101 Ų10158.5 Ų58.552%0.51832%0.316SS..SBendtrans-89.3129.7-174.1-52.5173.6000108.7T353 C411T353-I355 PolarHBondContact O-N 2.99Å; T353-I355 VanDerWaalsContact O-N 3.08Å; T353-I355 PolarHBondContact OG1-N 2.99Å; I355-C411 WeakPolarHBondContact O-CB 3.16Å
356P54.1Low53.8Low24 Ų2460.6 Ų60.616%0.15633%0.331CS..PPolyproline II helixtrans-68.6162.3174.628.4-34.5000112.8T358 D809P356-T358 PolarHBondContact O-N 3.14Å; P356-D809 WeakPolarHBondContact CB-OD1 3.07Å
357C55.4Low51.4Low9 Ų965.5 Ų65.56%0.06135%0.346CS..PPolyproline II helixtrans-70.5124.3179.3-133.30000110.3C359 I360 C411C357-C359 HydrophobicContact CB-CB 3.86Å; C357-C359 WeakPolarHBondContact CB-SG 3.34Å; C357-C359 PolarHBondContact O-N 3.13Å; C357-C359 WeakPolarHBondContact SG-CB 3.4Å; C357-C359 CovalentContact SG-SG 2.05Å; C357-C359 PolarHBondContact SG-SG 3.08Å; C357-I360 HydrophobicContact CB-CD1 3.78Å; C357-C411 HydrophobicContact CB-CB 4.39Å; C357-C411 WeakPolarHBondContact CB-SG 3.39Å; C357-C411 PolarHBondContact SG-SG 2.94Å
358T47.3Very low49.5Very low94 Ų9473.3 Ų73.358%0.57738%0.378SS*.G310 helixtrans-67.4-21.4165.352.10000112.5P356 I360 V361P356-T358 PolarHBondContact O-N 3.14Å; T358-I360 PolarHBondContact O-N 2.88Å; T358-V361 PolarHBondContact O-N 3.21Å
359C46.5Very low47.7Very low48 Ų4878.6 Ų78.632%0.32440%0.399SS..G310 helixtrans-48.9-18.1-175.7-29.90000115.8C357C357-C359 HydrophobicContact CB-CB 3.86Å; C357-C359 WeakPolarHBondContact CB-SG 3.34Å; C357-C359 PolarHBondContact O-N 3.13Å; C357-C359 WeakPolarHBondContact SG-CB 3.4Å; C357-C359 CovalentContact SG-SG 2.05Å; C357-C359 PolarHBondContact SG-SG 3.08Å
360I45.5Very low45.9Very low30 Ų3081.7 Ų81.715%0.15442%0.415CS..G310 helixtrans-79.3-25.5-178.2-84.676.2000112.4C357 T358 L811 V812 N815C357-I360 HydrophobicContact CB-CD1 3.78Å; T358-I360 PolarHBondContact O-N 2.88Å; I360-L811 HydrophobicContact CG2-CB 4.44Å; I360-V812 HydrophobicContact CB-CB 4.4Å; I360-V812 HydrophobicContact CB-CG2 3.71Å; I360-V812 HydrophobicContact CD1-CB 4.39Å; I360-V812 HydrophobicContact CD1-CG1 4Å; I360-V812 HydrophobicContact CD1-CG2 3.89Å; I360-V812 HydrophobicContact CG1-CB 3.88Å; I360-V812 HydrophobicContact CG1-CG1 3.9Å; I360-V812 HydrophobicContact CG1-CG2 3.57Å; I360-V812 HydrophobicContact CG2-CB 4.18Å; I360-V812 HydrophobicContact CG2-CG2 3.74Å; I360-N815 PolarHBondContact O-ND2 2.68Å; I360-N815 VanDerWaalsContact O-ND2 3.14Å
361V38.3Very low44.3Very low76 Ų7683.3 Ų83.346%0.46143%0.427SS..THydrogen-bonded Turntrans-77.3-41.2-174.4-174.10000111.4T358 R363 R364T358-V361 PolarHBondContact O-N 3.21Å; V361-R363 PolarHBondContact O-N 3.18Å; V361-R364 PolarHBondContact O-N 3.04Å
362D33.9Very low42.6Very low80 Ų8090.7 Ų90.743%0.42846%0.455SS..THydrogen-bonded Turntrans-73.7-27-169.4-77-40.3000115.5R364 L365D362-R364 PolarHBondContact O-N 2.97Å; D362-L365 PolarHBondContact O-N 2.81Å
363R33.3Very low40.9Very low124 Ų12496.9 Ų96.947%0.46848%0.484SS..Hα-helixtrans-60.6-17.6176.5-77.9-171.7178.2-174.6-2.7113.6V361 S366 E819V361-R363 PolarHBondContact O-N 3.18Å; R363-S366 PolarHBondContact O-OG 3.19Å; R363-E819 IonicContact CZ-OE1 3.64Å; R363-E819 IonicContact NH1-OE1 2.8Å; R363-E819 PolarHBondContact NH1-OE1 3.15Å
364R31.8Very low39.3Very low110 Ų110105.6 Ų105.642%0.41551%0.512SS..Hα-helixtrans-81.1-12.7177.9-65.1-176.8179.5165.93.8113.9V361 D362 N815V361-R364 PolarHBondContact O-N 3.04Å; D362-R364 PolarHBondContact O-N 2.97Å; R364-N815 PolarHBondContact NE-OD1 3.35Å; R364-N815 PolarHBondContact NH2-OD1 3.17Å
365L32.5Very low38Very low129 Ų129111 Ų11168%0.67553%0.531SS*.Hα-helixtrans-94-35.5176.5-71.2168.6000112.4D362D362-L365 PolarHBondContact O-N 2.81Å
366S32.3Very low36.8Very low58 Ų58113.1 Ų113.141%0.40654%0.544SS..Hα-helixtrans-70.4-36.317858.40000113.5R363 K368 H369 L370R363-S366 PolarHBondContact O-OG 3.19Å; S366-K368 PolarHBondContact O-N 2.94Å; S366-K368 VanDerWaalsContact O-N 3.13Å; S366-H369 PolarHBondContact O-N 3.46Å; S366-L370 PolarHBondContact O-N 2.87Å
367H31.8Very low35.6Very low132 Ų132117.2 Ų117.261%0.61157%0.573SS**THydrogen-bonded Turntrans-66.6-12.2-179.3-102.2-77000115.1
368K32.9Very low34.4Very low181 Ų181123.5 Ų123.579%0.78760%0.604SS**THydrogen-bonded Turntrans-91.34172.5-76.1-173.7175.8179.80114.3S366S366-K368 PolarHBondContact O-N 2.94Å; S366-K368 VanDerWaalsContact O-N 3.13Å
369H32.4Very low33.4Very low151 Ų151125.7 Ų125.770%0.69961%0.613SS**THydrogen-bonded Turntrans-119.5-24.6174.5-83.416.4000113.8S366 D371 K372S366-H369 PolarHBondContact O-N 3.46Å; H369-D371 VanDerWaalsContact C-N 3.29Å; H369-D371 PolarHBondContact O-N 2.68Å; H369-K372 PolarHBondContact O-N 2.67Å
370L29.6Very low32.6Very low92 Ų92131.6 Ų131.648%0.48264%0.64SS.*Hα-helixtrans-68.7-18.1-175.3-76.1161.5000115.5S366 K372S366-L370 PolarHBondContact O-N 2.87Å; L370-K372 VanDerWaalsContact C-N 3.3Å; L370-K372 PolarHBondContact O-N 3Å
371D32Very low31.7Very low140 Ų140134.8 Ų134.875%0.74967%0.665SS**Hα-helixtrans-78.1-8.2176.4-70.4-32.3000114.3H369H369-D371 VanDerWaalsContact C-N 3.29Å; H369-D371 PolarHBondContact O-N 2.68Å
372K33.5Very low31.1Very low193 Ų193136.2 Ų136.284%0.83968%0.678SS**Hα-helixtrans-97.2-26.3176.5-83.3-174.5174.31800114.7H369 L370H369-K372 PolarHBondContact O-N 2.67Å; L370-K372 VanDerWaalsContact C-N 3.3Å; L370-K372 PolarHBondContact O-N 3Å
373E32.7Very low30.9Very low140 Ų140137.4 Ų137.465%0.65469%0.693SS**Hα-helixtrans-88.8-21.1-174.1-63.1-165.1145.800113.8K375 N376E373-K375 PolarHBondContact O-N 3.01Å; E373-N376 PolarHBondContact O-N 2.92Å
374R29.7Very low30.6Very low226 Ų226136.6 Ų136.685%0.85371%0.706SS**THydrogen-bonded Turntrans-69.911-174.1-140.4172.2-174.3162.50.8115.6
375K35.3Very low30.5Very low192 Ų192139.6 Ų139.684%0.83573%0.729SS**THydrogen-bonded Turntrans-112.9-6.5176.3-76-174.1174.8179.60114.9E373E373-K375 PolarHBondContact O-N 3.01Å
376N31.6Very low30.2Very low147 Ų147140.7 Ų140.779%0.78674%0.735SS**SBendtrans-120.7-3.7-166.7-82.53.6000117.3E373E373-N376 PolarHBondContact O-N 2.92Å
377S30Very low30.1Very low109 Ų109146.3 Ų146.376%0.76276%0.76SS**  trans-109.159.2-174.646.90000114.3
378I29.7Very low29.9Very low142 Ų142144.6 Ų144.673%0.72876%0.759SS**  trans-91.3135.3156.3-59.8172.7000107.1
379N26.2Very low29.7Very low140 Ų140142.3 Ų142.375%0.74976%0.755SS**  trans70.9119.6-174.9-44.1-54000115.1
380L29.5Very low29.5Very low172 Ų172140.9 Ų140.990%0.90175%0.753SS**  -178.113697-99.2145.1000111.2
381S26.3Very low29.4Very low97 Ų97142.8 Ų142.868%0.67876%0.763SS**  trans-90160.7178.153.40000112.3
382S26.7Very low29.3Very low105 Ų105143.1 Ų143.173%0.73477%0.765SS**  trans88.6141.8150.1-50.20000119.7
383S28.6Very low29Very low105 Ų105140 Ų14073%0.73476%0.757SS**  trans92.5108.6147.8-56.40000119.9
384S27.6Very low28.6Very low108 Ų108142.6 Ų142.676%0.75576%0.763SS**  trans59.3119.4133.961.50000120.2
385L30.4Very low28.5Very low172 Ų172142.5 Ų142.590%0.90176%0.764SS**  -158.613297.5-100.8163.8000111.3
386L25Very low28.3Very low152 Ų152141 Ų14180%0.79675%0.754SS**  trans-86.2142.7172.9-77.6153.9000109.7
387L30.8Very low28.1Very low176 Ų176139.3 Ų139.392%0.92175%0.745SS**  trans-148.9130.7146.1-109162.4000109.4
388T27.5Very low28.1Very low96 Ų96141.5 Ų141.559%0.58975%0.748SS**  trans-107.7136.6-161.650.30000111.9
389N29.7Very low28.1Very low133 Ų133138.7 Ų138.771%0.71174%0.735SS**  171.1128.1111-90.8-23000114.4
390N27.4Very low28.4Very low122 Ų122138.1 Ų138.165%0.65274%0.742SS**  trans71.799135.4-59.9-6.6000121.3
391N28Very low28.5Very low131 Ų131134 Ų13470%0.70173%0.726SS**  102.1102.1122.2-59.9-7.5000119.2
392N29.6Very low28.6Very low147 Ų147134.5 Ų134.579%0.78672%0.719SS**  trans79.3134.4144.8-49.4-9.2000119.2
393D25.9Very low28.6Very low127 Ų127138.1 Ų138.168%0.67972%0.724SS**  -156.7155.5-58.6-123.7-33.9000109.8
394Y25.6Very low28.5Very low196 Ų196138 Ų13877%0.76972%0.724SS**  trans61.178171.4-58.2-67.4000120
395Y26.5Very low28.6Very low224 Ų224138.1 Ų138.188%0.87872%0.719SS**  trans-115.9129.4140.2-99.7-97.3000109.8
396Y31Very low28.5Very low159 Ų159134.7 Ų134.762%0.62471%0.71SS**  trans-85.8116.8176.8-125.6-95.2000108.8
397N27.4Very low29.1Very low113 Ų113137.4 Ų137.460%0.60472%0.715SS**  trans-97.4119.9-179.7-81.6-36000111.2N399N397-N399 HydrophobicContact CB-CB 4.41Å; N397-N399 PolarHBondContact OD1-ND2 3.47Å; N397-N399 VanDerWaalsContact OD1-ND2 3.15Å
398D31.7Very low30Very low154 Ų154132.6 Ų132.682%0.82469%0.693SS**  trans-103.676157.4-86.9-37.1000108.7S400D398-S400 PolarHBondContact O-N 2.9Å
399N29.6Very low31.5Very low84 Ų84130 Ų13045%0.44968%0.679SS.*  trans-98.739.8-169.4-81.2-15.8000114.5N397 C401 M402N397-N399 HydrophobicContact CB-CB 4.41Å; N397-N399 PolarHBondContact OD1-ND2 3.47Å; N397-N399 VanDerWaalsContact OD1-ND2 3.15Å; N399-C401 PolarHBondContact O-N 2.98Å; N399-M402 HydrophobicContact CB-CB 4.39Å; N399-M402 HydrophobicContact CB-CG 4.37Å
400S32.3Very low33.4Very low128 Ų128126.3 Ų126.390%0.89566%0.659SS**THydrogen-bonded Turntrans-72.55.3-177.5580000115.6D398D398-S400 PolarHBondContact O-N 2.9Å
401C30.1Very low35.3Very low84 Ų84120.5 Ų120.557%0.56863%0.628SS**THydrogen-bonded Turntrans-131.713.7-178.7-161.80000114.3N399N399-C401 PolarHBondContact O-N 2.98Å
402M29.2Very low37.2Very low108 Ų108114.5 Ų114.553%0.53260%0.595SS.*  trans-107.1-1.9-166.8-72.6-88.975.400116.8N399 S404 V408N399-M402 HydrophobicContact CB-CB 4.39Å; N399-M402 HydrophobicContact CB-CG 4.37Å; M402-S404 PolarHBondContact O-N 3.34Å; M402-V408 HydrophobicContact CE-CG2 4.09Å
403H27.4Very low39.2Very low182 Ų182108.8 Ų108.884%0.84356%0.564SS**SBendtrans-9960.3-176.3-78.6-56.7000114.5
404S25.6Very low41.4Very low103 Ų103105.8 Ų105.872%0.7255%0.546SS*.SBendtrans175.9161.8146.737.60000109.8M402M402-S404 PolarHBondContact O-N 3.34Å
405V29Very low44Very low109 Ų10996.5 Ų96.566%0.66151%0.509SS*.SBendtrans79129.2-179.7-166.30000115.8
406S29Very low46.7Very low101 Ų10188.1 Ų88.171%0.70648%0.48SS*.SBendtrans-61.7142.1-175.849.20000115.7V408S406-V408 PolarHBondContact O-N 2.92Å
407K38.4Very low49.4Very low208 Ų20880.6 Ų80.690%0.90445%0.45SS*.  trans3377.4162.6-74.9-173.6176179.60114.5S409K407-S409 PolarHBondContact O-N 3.49Å; K407-S409 VanDerWaalsContact O-N 3.1Å
408V49.8Very low52.5Low76 Ų7676.2 Ų76.246%0.46143%0.426SS..  trans-58.3116168.8-179.30000109M402 S406M402-V408 HydrophobicContact CE-CG2 4.09Å; S406-V408 PolarHBondContact O-N 2.92Å
409S59.2Low55.5Low41 Ų4168.9 Ų68.929%0.28739%0.386SS..  trans-72.9134.217146.30000109.6K407 C411K407-S409 PolarHBondContact O-N 3.49Å; K407-S409 VanDerWaalsContact O-N 3.1Å; S409-C411 PolarHBondContact O-N 2.97Å
410N67.6Low58.4Low55 Ų5565.7 Ų65.729%0.29437%0.371SS..  trans-70.7103.4171.8-68.9-4.4000107.7P347 S351 I352 T353P347-N410 HydrophobicContact CB-CB 4.09Å; P347-N410 HydrophobicContact CG-CB 4.28Å; S351-N410 WeakPolarHBondContact CB-ND2 3.23Å; S351-N410 WeakPolarHBondContact O-CB 3.18Å; S351-N410 PolarHBondContact OG-ND2 3.27Å; I352-N410 WeakPolarHBondContact CA-O 3.33Å; I352-N410 HydrophobicContact CG1-CB 4.36Å; T353-N410 PolarHBondContact N-O 3.46Å; T353-N410 PolarHBondContact OG1-O 3.13Å
411C68.4Low60.8Low0 Ų061 Ų610%034%0.335CS..BIsolated β-bridgetrans-100.2151.6179.764.50000110.6I355 C357 S409 H413 Q414I355-C411 WeakPolarHBondContact O-CB 3.16Å; C357-C411 HydrophobicContact CB-CB 4.39Å; C357-C411 WeakPolarHBondContact CB-SG 3.39Å; C357-C411 PolarHBondContact SG-SG 2.94Å; S409-C411 PolarHBondContact O-N 2.97Å; C411-H413 PolarHBondContact O-N 3.15Å; C411-Q414 PolarHBondContact O-N 2.92Å; C411-Q414 VanDerWaalsContact O-N 3.14Å; C411-Q414 PolarHBondContact SG-NE2 3.37Å
412Y67.8Low63.3Low5 Ų557 Ų572%0.0231%0.308CS..G310 helixtrans-63.8-24.8-178.263.1-93000113.4A311 P312 W315 Q414 L415A311-Y412 HydrophobicContact CB-CD1 4.35Å; A311-Y412 HydrophobicContact CB-CE1 3.82Å; A311-Y412 HydrophobicContact CB-CE2 4.29Å; P312-Y412 HydrophobicContact CG-CD1 4.32Å; P312-Y412 HydrophobicContact CG-CG 4.21Å; W315-Y412 HydrophobicContact CB-CD2 3.83Å; W315-Y412 HydrophobicContact CB-CE2 4.23Å; W315-Y412 VanDerWaalsContact CD1-O 3.32Å; W315-Y412 HydrophobicContact CD2-CD2 4.1Å; W315-Y412 HydrophobicContact CD2-CE2 4.32Å; W315-Y412 HydrophobicContact CE3-CE2 4.41Å; W315-Y412 AromaticContact CG-CD2 3.73Å; W315-Y412 HydrophobicContact CG-CD2 3.73Å; W315-Y412 HydrophobicContact CG-CE2 4.27Å; W315-Y412 PolarHBondContact NE1-O 3.4Å; Y412-Q414 PolarHBondContact O-N 3.46Å; Y412-Q414 VanDerWaalsContact O-N 3.1Å; Y412-L415 VanDerWaalsContact O-CB 3.23Å; Y412-L415 WeakPolarHBondContact O-CB 3.42Å; Y412-L415 WeakPolarHBondContact O-CG 3.41Å; Y412-L415 PolarHBondContact O-N 2.94Å
413H71.3Confident65.1Low28 Ų2852.2 Ų52.213%0.1329%0.286CS..G310 helixtrans-58.1-20.1174.2-77.1106000114.4W315 C411 L415 D809W315-H413 AromaticContact CH2-CD2 3.43Å; W315-H413 VanDerWaalsContact CH2-CD2 3.43Å; W315-H413 WeakPolarHBondContact CH2-CD2 3.44Å; W315-H413 HydrophobicContact CZ2-CB 4.46Å; W315-H413 AromaticContact CZ2-CD2 3.8Å; W315-H413 AromaticContact CZ3-CD2 3.64Å; W315-H413 AromaticContact CZ3-NE2 3.9Å; C411-H413 PolarHBondContact O-N 3.15Å; H413-L415 VanDerWaalsContact C-N 3.29Å; H413-D809 IonicContact CE1-OD1 3.9Å
414Q73.2Confident67Low64 Ų6446.7 Ų46.730%0.29926%0.263SS..G310 helixtrans-80.3-8.8173.8-65.1171.123.800113.1P347 C411 Y412P347-Q414 HydrophobicContact CG-CB 3.95Å; C411-Q414 PolarHBondContact O-N 2.92Å; C411-Q414 VanDerWaalsContact O-N 3.14Å; C411-Q414 PolarHBondContact SG-NE2 3.37Å; Y412-Q414 PolarHBondContact O-N 3.46Å; Y412-Q414 VanDerWaalsContact O-N 3.1Å
415L78.7Confident69.1Low0 Ų041.9 Ų41.90%023%0.229CC..  trans-76128.1173.2-63.3176.7000111W315 L316 Q319 I344 C345 L349 I352 Y412 H413W315-L415 PolarHBondContact NE1-O 3.23Å; L316-L415 HydrophobicContact CD2-CB 4.45Å; L316-L415 HydrophobicContact CD2-CD1 4.09Å; L316-L415 HydrophobicContact CG-CD1 4.45Å; Q319-L415 PolarHBondContact NE2-O 3.36Å; I344-L415 HydrophobicContact CG2-CD2 3.81Å; C345-L415 WeakPolarHBondContact O-CA 3.37Å; L349-L415 HydrophobicContact CD1-CD1 4.05Å; L349-L415 HydrophobicContact CD1-CD2 3.6Å; L349-L415 HydrophobicContact CD1-CG 4.48Å; L349-L415 HydrophobicContact CD2-CD1 4.1Å; L349-L415 HydrophobicContact CG-CD1 3.96Å; L349-L415 HydrophobicContact CG-CD2 4.22Å; I352-L415 HydrophobicContact CD1-CD1 3.65Å; I352-L415 HydrophobicContact CD1-CD2 3.36Å; I352-L415 HydrophobicContact CD1-CG 3.44Å; I352-L415 VanDerWaalsContact CD1-CG 3.44Å; Y412-L415 VanDerWaalsContact O-CB 3.23Å; Y412-L415 WeakPolarHBondContact O-CB 3.42Å; Y412-L415 WeakPolarHBondContact O-CG 3.41Å; Y412-L415 PolarHBondContact O-N 2.94Å; H413-L415 VanDerWaalsContact C-N 3.29Å
416I84Confident71.3Confident49 Ų4939.5 Ų39.525%0.25121%0.209SC..EExtended strand (participates in β ladder)trans-120.8120.2171.5-54.9175.8000107.9V127 C345 K418V127-I416 HydrophobicContact CG2-CG2 4.24Å; C345-I416 HydrophobicContact CB-CB 4.35Å; C345-I416 PolarHBondContact N-O 3.05Å; C345-I416 PolarHBondContact O-N 2.96Å; I416-K418 HydrophobicContact CG2-CG 4.37Å
417V88.5Confident73.2Confident1 Ų136.5 Ų36.51%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-90.9141.5176.1-171.40000110.1N128 L316 Q319 I320 V342 L343N128-V417 WeakPolarHBondContact CA-O 3.32Å; N128-V417 WeakPolarHBondContact CB-O 3.4Å; N128-V417 PolarHBondContact ND2-O 3.24Å; L316-V417 HydrophobicContact CB-CG2 4.36Å; L316-V417 HydrophobicContact CD2-CG2 3.27Å; L316-V417 HydrophobicContact CG-CG2 4.4Å; Q319-V417 HydrophobicContact CB-CB 3.91Å; Q319-V417 HydrophobicContact CB-CG2 3.93Å; I320-V417 HydrophobicContact CG1-CB 4.4Å; I320-V417 HydrophobicContact CG1-CG1 3.63Å; V342-V417 HydrophobicContact CG1-CG1 3.37Å; L343-V417 CarbonylContact O-C 3.56Å; L343-V417 WeakPolarHBondContact O-CA 3.36Å; L343-V417 WeakPolarHBondContact O-CG1 3.28Å
418K92.4Very high74.7Confident21 Ų2129.3 Ų29.39%0.09116%0.155CC..EExtended strand (participates in β ladder)trans-137.8126.4178-67.3-172.3169.3-176.40112.2V127 N128 V130 E270 L343 I416V127-K418 WeakPolarHBondContact O-CE 3.29Å; N128-K418 WeakPolarHBondContact O-CA 3.41Å; V130-K418 HydrophobicContact CG2-CB 3.69Å; E270-K418 IonicContact OE1-NZ 3.09Å; E270-K418 PolarHBondContact OE1-NZ 2.95Å; E270-K418 IonicContact OE2-NZ 3.09Å; E270-K418 PolarHBondContact OE2-NZ 3.45Å; L343-K418 WeakPolarHBondContact CB-O 3.36Å; L343-K418 PolarHBondContact N-O 3.05Å; L343-K418 PolarHBondContact O-N 2.89Å; I416-K418 HydrophobicContact CG2-CG 4.37Å
419I93.3Very high74.8Confident0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-79.6139.7174.9-52.9174.8000109.9N128 I129 V130 V324 L327 L337 F422N128-I419 PolarHBondContact O-N 3.46Å; I129-I419 HydrophobicContact CD1-CB 3.92Å; I129-I419 HydrophobicContact CD1-CD1 4.25Å; I129-I419 HydrophobicContact CD1-CG1 4.38Å; V130-I419 PolarHBondContact N-O 3.45Å; V324-I419 HydrophobicContact CB-CD1 4.38Å; V324-I419 HydrophobicContact CG2-CD1 3.44Å; V324-I419 VanDerWaalsContact CG2-CD1 3.44Å; L327-I419 HydrophobicContact CD1-CD1 4.13Å; L327-I419 HydrophobicContact CD1-CG2 4.26Å; L337-I419 HydrophobicContact CD2-CG2 3.71Å; I419-F422 HydrophobicContact CG2-CE1 4.49Å; I419-F422 HydrophobicContact CG2-CZ 4.34Å
420C90.5Very high73.7Confident17 Ų1736.7 Ų36.712%0.11519%0.188CC..  trans-139.4175.9-177.382.10000113.2V130 H334 N341 L343V130-C420 HydrophobicContact CB-CB 4.04Å; V130-C420 HydrophobicContact CG2-CB 3.52Å; H334-C420 PolarHBondContact CE1-O 3.38Å; H334-C420 PolarHBondContact NE2-O 3.45Å; N341-C420 PolarHBondContact O-N 3.21Å; L343-C420 HydrophobicContact CD1-CB 3.98Å; L343-C420 HydrophobicContact CG-CB 4.1Å
421D84.4Confident71.9Confident28 Ų2843.4 Ų43.415%0.1521%0.211CC..  trans68.557.2173.9-156.220.1000116F82 K100 G423F82-D421 WeakPolarHBondContact CD2-OD2 3.29Å; F82-D421 WeakPolarHBondContact CE2-OD2 3.25Å; K100-D421 IonicContact NZ-OD1 3.22Å; K100-D421 PolarHBondContact NZ-OD1 2.73Å; D421-G423 PolarHBondContact O-N 2.9Å
422F81.1Confident70Confident1 Ų149 Ų490%0.00425%0.247CC..G310 helixtrans-72.214.5177.4-54-83.5000114.4T120 M121 L124 I129 L327 H334 I419 L424 A425T120-F422 HydrophobicContact CG2-CB 4.34Å; T120-F422 HydrophobicContact CG2-CD1 4.48Å; M121-F422 HydrophobicContact CE-CD2 3.84Å; M121-F422 HydrophobicContact CE-CE2 4.16Å; M121-F422 HydrophobicContact CG-CB 3.93Å; M121-F422 HydrophobicContact CG-CD2 3.47Å; M121-F422 VanDerWaalsContact CG-CD2 3.47Å; M121-F422 HydrophobicContact CG-CE2 4.35Å; M121-F422 HydrophobicContact CG-CG 3.99Å; M121-F422 HydrophobicContact SD-CD2 3.92Å; L124-F422 HydrophobicContact CD1-CD1 4.01Å; L124-F422 HydrophobicContact CD1-CE1 3.78Å; L124-F422 HydrophobicContact CD1-CE2 4.45Å; L124-F422 HydrophobicContact CD1-CG 4.47Å; L124-F422 HydrophobicContact CD1-CZ 4.02Å; I129-F422 HydrophobicContact CD1-CZ 4.27Å; I129-F422 HydrophobicContact CG2-CE2 4.1Å; I129-F422 HydrophobicContact CG2-CZ 3.77Å; L327-F422 HydrophobicContact CD1-CE1 3.9Å; L327-F422 HydrophobicContact CD2-CD1 4.39Å; L327-F422 HydrophobicContact CD2-CE1 3.56Å; L327-F422 HydrophobicContact CD2-CZ 4.27Å; L327-F422 HydrophobicContact CG-CE1 4.39Å; H334-F422 AromaticContact CD2-CD1 3.76Å; H334-F422 AromaticContact CD2-CE1 3.62Å; H334-F422 AromaticContact NE2-CD1 4Å; H334-F422 AromaticContact NE2-CE1 3.95Å; I419-F422 HydrophobicContact CG2-CE1 4.49Å; I419-F422 HydrophobicContact CG2-CZ 4.34Å; F422-L424 PolarHBondContact O-N 2.99Å; F422-A425 HydrophobicContact CB-CB 3.94Å; F422-A425 HydrophobicContact CD1-CB 4.4Å; F422-A425 VanDerWaalsContact O-CB 3.27Å; F422-A425 WeakPolarHBondContact O-CB 3.33Å; F422-A425 PolarHBondContact O-N 3.26Å
423G67.2Low67.9Low7 Ų753.6 Ų53.67%0.07228%0.28CS..G310 helixtrans-61.7-25.6179.100000113.4E117 D421E117-G423 VanDerWaalsContact OE2-CA 3.31Å; E117-G423 WeakPolarHBondContact OE2-CA 3.31Å; D421-G423 PolarHBondContact O-N 2.9Å
424L67.2Low65.8Low66 Ų6661.3 Ų61.335%0.34631%0.313SS..G310 helixtrans-104.614.2169.3-69.3-178.8000113.9F82 H334 R335 D336 F422F82-L424 HydrophobicContact CE1-CD1 4.16Å; F82-L424 HydrophobicContact CE1-CD2 3.99Å; F82-L424 HydrophobicContact CE1-CG 3.65Å; F82-L424 HydrophobicContact CZ-CD1 3.58Å; F82-L424 HydrophobicContact CZ-CD2 4.27Å; F82-L424 HydrophobicContact CZ-CG 3.5Å; F82-L424 VanDerWaalsContact CZ-CG 3.5Å; H334-L424 CarbonylContact O-C 3.58Å; R335-L424 PolarHBondContact NE-O 3.4Å; R335-L424 PolarHBondContact NH2-O 3.12Å; D336-L424 HydrophobicContact CB-CB 4.21Å; D336-L424 HydrophobicContact CB-CD1 3.9Å; F422-L424 PolarHBondContact O-N 2.99Å
425A70.4Confident63.5Low2 Ų264.8 Ų64.82%0.01733%0.334CS..  trans-62.7155.6176.300000112.4T120 V332 I333 R335 F422T120-A425 HydrophobicContact CG2-CB 3.96Å; V332-A425 HydrophobicContact CG1-CB 3.9Å; I333-A425 CarbonylContact O-C 3.49Å; I333-A425 VanDerWaalsContact O-CA 3.29Å; I333-A425 WeakPolarHBondContact O-CA 3.22Å; R335-A425 PolarHBondContact NH2-O 3.29Å; F422-A425 HydrophobicContact CB-CB 3.94Å; F422-A425 HydrophobicContact CD1-CB 4.4Å; F422-A425 VanDerWaalsContact O-CB 3.27Å; F422-A425 WeakPolarHBondContact O-CB 3.33Å; F422-A425 PolarHBondContact O-N 3.26Å
426R74.3Confident61.1Low60 Ų6070.5 Ų70.523%0.22637%0.369CS..EExtended strand (participates in β ladder)trans-130.4115.3169.9175.9177.2-178.5173.5-1.5109I333 T638I333-R426 PolarHBondContact N-O 3.4Å; I333-R426 PolarHBondContact O-N 2.87Å; R426-T638 PolarHBondContact NH1-O 3.22Å
427I70.6Confident58.3Low37 Ų3775.1 Ų75.119%0.1939%0.391CS..EExtended strand (participates in β ladder)trans-77.5125.5168.5-54.8178.9000108Y119 T120 N331 V332 L429Y119-I427 HydrophobicContact CD1-CD1 3.48Å; Y119-I427 VanDerWaalsContact CD1-CD1 3.48Å; Y119-I427 HydrophobicContact CE1-CD1 3.47Å; Y119-I427 VanDerWaalsContact CE1-CD1 3.47Å; T120-I427 HydrophobicContact CG2-CG1 4.47Å; N331-I427 CarbonylContact O-C 3.51Å; N331-I427 WeakPolarHBondContact O-CA 3.45Å; V332-I427 HydrophobicContact CG2-CG1 4.37Å; I427-L429 HydrophobicContact CG2-CD2 4.47Å; I427-L429 PolarHBondContact O-N 3.45Å
428L68.3Low55.3Low58 Ų5883.3 Ų83.330%0.30444%0.435SS..  trans-77.4104.8164.5-58.9178.8000106.9N331 I333N331-L428 HydrophobicContact CB-CB 4.19Å; N331-L428 WeakPolarHBondContact CB-O 3.44Å; N331-L428 PolarHBondContact O-N 2.87Å; I333-L428 HydrophobicContact CD1-CD1 4.16Å; I333-L428 HydrophobicContact CD1-CD2 3.94Å; I333-L428 HydrophobicContact CD1-CG 4.14Å; I333-L428 HydrophobicContact CG1-CD1 4.37Å; I333-L428 HydrophobicContact CG1-CG 4.34Å
429L52.8Low52.2Low132 Ų13285.1 Ų85.169%0.69145%0.45SS*.  trans-69.5136.4166.8-64.8175.7000108.1I427 Y431I427-L429 HydrophobicContact CG2-CD2 4.47Å; I427-L429 PolarHBondContact O-N 3.45Å; L429-Y431 PolarHBondContact O-N 3.32Å
430D36.6Very low49Very low140 Ų14096.6 Ų96.675%0.74950%0.495SS*.  trans-5899.6-178.5-59.4-54.4000111N331N331-D430 PolarHBondContact ND2-OD1 2.84Å
431Y28.9Very low46.1Very low196 Ų19699.8 Ų99.877%0.76952%0.517SS*.  trans-73.2132.3153.1-79.8-96.4000106.5L429 S433L429-Y431 PolarHBondContact O-N 3.32Å; Y431-S433 PolarHBondContact O-N 3.3Å
432P28Very low43.4Very low118 Ų118105.8 Ų105.877%0.76655%0.549SS*.SBendtrans-59.5109.2177.324.5-33.1000109.4F434P432-F434 PolarHBondContact O-N 3.1Å
433S25.3Very low41Very low100 Ų100111.1 Ų111.170%0.69959%0.587SS**  trans43.669.5161-48.90000116.2Y431 N435Y431-S433 PolarHBondContact O-N 3.3Å; S433-N435 PolarHBondContact O-N 3.19Å
434F26.3Very low39Very low191 Ų191115.7 Ų115.784%0.83862%0.618SS**  trans-74.865.4145.8-110.6-75.6000109.7P432 V436P432-F434 PolarHBondContact O-N 3.1Å; F434-V436 HydrophobicContact CD1-CG2 3.79Å; F434-V436 HydrophobicContact CE1-CG2 4.48Å; F434-V436 PolarHBondContact O-N 3.25Å
435N25.4Very low37.2Very low136 Ų136119.8 Ų119.873%0.72764%0.64SS**  trans-62.884.4153.9-90.3-9.6000106.7S433 M437S433-N435 PolarHBondContact O-N 3.19Å; N435-M437 PolarHBondContact O-N 3.08Å
436V27.9Very low35.3Very low121 Ų121127 Ų12773%0.73368%0.677SS**  trans-68.797.6160-179.60000105.7F434 N438F434-V436 HydrophobicContact CD1-CG2 3.79Å; F434-V436 HydrophobicContact CE1-CG2 4.48Å; F434-V436 PolarHBondContact O-N 3.25Å; V436-N438 PolarHBondContact O-N 3.13Å; V436-N438 VanDerWaalsContact O-N 3.09Å
437M25.6Very low33Very low145 Ų145132.2 Ų132.271%0.71471%0.708SS**  trans-39.2107.7179.5-71.5166.5146.600112.9N435 S439N435-M437 PolarHBondContact O-N 3.08Å; M437-S439 WeakPolarHBondContact CB-OG 3.41Å; M437-S439 WeakPolarHBondContact CG-OG 3.3Å; M437-S439 PolarHBondContact O-N 2.8Å
438N25.1Very low30.9Very low173 Ų173138.6 Ų138.693%0.92574%0.737SS**  trans-84.562.2139.7-95-7.1000108.1V436V436-N438 PolarHBondContact O-N 3.13Å; V436-N438 VanDerWaalsContact O-N 3.09Å
439S27.2Very low29Very low59 Ų59140.1 Ų140.141%0.41375%0.753SS.*  trans-138.284.4167.359.70000107.5M437 S441M437-S439 WeakPolarHBondContact CB-OG 3.41Å; M437-S439 WeakPolarHBondContact CG-OG 3.3Å; M437-S439 PolarHBondContact O-N 2.8Å; S439-S441 VanDerWaalsContact C-N 3.28Å; S439-S441 PolarHBondContact O-N 3.01Å
440Y25.6Very low27.7Very low241 Ų241144.6 Ų144.695%0.94577%0.767SS**  trans-64.396159.5-94.3-94.1000107.7
441S29.8Very low27.3Very low84 Ų84144.6 Ų144.659%0.58777%0.767SS**  trans-164.1104.6161.956.80000107.8S439S439-S441 VanDerWaalsContact C-N 3.28Å; S439-S441 PolarHBondContact O-N 3.01Å
442D26.9Very low27.3Very low154 Ų154143.5 Ų143.582%0.82477%0.766SS**  trans34.1104.5146.1-45.6-34.4000117.5
443S30.9Very low27.4Very low114 Ų114144.3 Ų144.380%0.79776%0.764SS**  177138.593.936.30000111.5D445S443-D445 PolarHBondContact O-N 3Å
444S26.8Very low27.5Very low103 Ų103145.1 Ų145.172%0.7277%0.765SS**  trans-55.4122.5157.548.40000110.3
445D29.3Very low27.6Very low152 Ų152144.6 Ų144.681%0.81377%0.765SS**  -178.9165.7128.7-92.1-25.5000112.2S443S443-D445 PolarHBondContact O-N 3Å
446I30.3Very low27.8Very low153 Ų153143.4 Ų143.479%0.78576%0.762SS**  trans69.752.5171.9-32.3-175.6000115.7H448I446-H448 VanDerWaalsContact C-N 3.34Å
447L24.5Very low27.7Very low169 Ų169145.6 Ų145.689%0.88577%0.765SS**  trans-92.867.2146.5-158.9161.7000109.1
448H27.9Very low27.9Very low171 Ų171144.8 Ų144.879%0.79276%0.763SS**  trans-161.5158.6166.4-111.4-80.8000112I446I446-H448 VanDerWaalsContact C-N 3.34Å
449S27.8Very low28Very low91 Ų91143.7 Ų143.764%0.63675%0.752SS**  trans58.883.5174.368.80000118.6
450F26.6Very low28.2Very low226 Ų226146.9 Ų146.999%0.99177%0.765SS**  -134.272.1117.4-105.7-73.8000109.9
451N27.8Very low28.3Very low139 Ų139142 Ų14274%0.74376%0.755SS**  trans-122.5114.1170.1-158.4-5.2000107.1
452K27.9Very low28.2Very low173 Ų173143.6 Ų143.675%0.75276%0.761SS**  trans73.6155.7168.5-63.6-178.4175.3-178.10120.4
453N29.5Very low28.4Very low135 Ų135143.5 Ų143.572%0.72276%0.761SS**  trans79.8106.5165.3-52.9-19.7000115
454T29.1Very low28.3Very low118 Ų118145 Ų14572%0.72476%0.758SS**  63.3114.259.174.80000115
455H27.9Very low28.2Very low179 Ų179145 Ų14583%0.82976%0.759SS**  trans87.2135141.4-107.5-68.2000121.5
456V29.7Very low28.1Very low111 Ų111147.1 Ų147.167%0.67376%0.76SS**  trans71.8100.3161.4-172.70000114.7
457Q25.7Very low27.9Very low168 Ų168150.5 Ų150.579%0.78577%0.77SS**  71.5143.277.7-89.6-173.1-17.200115.5
458N28.8Very low27.9Very low127 Ų127146.5 Ų146.568%0.67976%0.761SS**  trans74.1144.7169.8-61-16.8000116.3
459Q28.2Very low27.9Very low150 Ų150143.6 Ų143.670%0.70176%0.76SS**  cis-168.6165.3-21.9-123.5176.19.300107.8
460N30.7Very low28Very low126 Ų126146.3 Ų146.367%0.67476%0.763SS**  trans69.1103.7157-51.9-16.4000119.9
461D28Very low28.2Very low140 Ų140143.8 Ų143.875%0.74976%0.758SS**  44.3124.6114.7-64.8-25.3000122.6
462T28.9Very low28.3Very low117 Ų117144.6 Ų144.672%0.71876%0.755SS**  trans59.599.4139.660.60000119.8
463N30.2Very low28.3Very low152 Ų152141.3 Ų141.381%0.81375%0.754SS**  trans-149.2104.8136.7-87.3-60000106.9
464I27.7Very low28.2Very low145 Ų145142.4 Ų142.474%0.74476%0.759SS**  66128.485.2-65.1175.9000112.6K466I464-K466 PolarHBondContact O-N 2.91Å
465S26.2Very low28.2Very low104 Ų104141 Ų14173%0.72775%0.754SS**  trans-48.8123.4178.544.10000114.3
466K27.3Very low28.3Very low195 Ų195139.8 Ų139.885%0.84875%0.753SS**  trans176.395.3148.3-98152.3-175.71780110.7I464I464-K466 PolarHBondContact O-N 2.91Å
467F24.6Very low28.2Very low224 Ų224138.2 Ų138.298%0.98275%0.747SS**  trans-146.940.3150.1-132.3-87.8000112.4
468A25.9Very low28.5Very low85 Ų85138.8 Ų138.870%0.70275%0.75SS**SBendtrans-104.7138.315800000108
469S27.5Very low28.4Very low111 Ų111136.9 Ų136.978%0.77675%0.747SS**  trans73.792.1-179.375.50000118.4
470H29.2Very low28.4Very low147 Ų147136 Ų13668%0.68175%0.746SS**  -179106.4122.1-110.352.9000113.5
471L32.3Very low28.2Very low173 Ų173137.5 Ų137.591%0.90675%0.75SS**  trans175.576.7146.1-98.3173.8000106.5
472K28.2Very low28Very low156 Ų156136.6 Ų136.668%0.67875%0.749SS**  69.7115.781.3-86-173.8173.6174.80115.9
473S28.6Very low27.9Very low104 Ų104136.1 Ų136.173%0.72775%0.75SS**  trans60.2107.7142.760.20000120.2
474L27.8Very low27.5Very low158 Ų158135.4 Ų135.483%0.82775%0.746SS**  -176.2108.197.9-91.4160.8000107.9
475S28.8Very low27.3Very low88 Ų88136.7 Ų136.762%0.61575%0.746SS**  72.1133.7100.269.80000115.4
476L29.8Very low27.4Very low154 Ų154137.4 Ų137.481%0.80674%0.742SS**  cis-154.9151.8-10.8-130.298.3000106.7
477S28Very low27.3Very low78 Ų78135.7 Ų135.755%0.54574%0.737SS.*  trans7.7151.114676.80000120.4
478Q31.7Very low27.4Very low180 Ų180130.6 Ų130.684%0.84172%0.724SS**  cis-166.4148.945.5-142.7153.579.600112.5
479S27.7Very low27.5Very low88 Ų88131.5 Ų131.562%0.61573%0.726SS**  trans-82.8148.5173.352.10000112.5
480N27Very low27.5Very low130 Ų130132.6 Ų132.670%0.69572%0.722SS**  161.8150.2109.9-88.9-38.1000115.5
481Q27.2Very low27.5Very low159 Ų159134.4 Ų134.474%0.74373%0.728SS**  trans63.5101.6141.5-74.1173.91.200118.7
482T24.3Very low27.7Very low120 Ų120130.7 Ų130.774%0.73672%0.715SS**  85.5144.279.753.10000114.8
483S25Very low27.9Very low107 Ų107129.9 Ų129.975%0.74872%0.718SS**  trans73.6152.2169.7880000114.6
484L23Very low28.3Very low137 Ų137131.7 Ų131.772%0.71772%0.72SS**  cis-162.2145.2-14.9-139.490.5000107.1
485F24.2Very low28.9Very low172 Ų172130.1 Ų130.175%0.75471%0.712SS**  trans66.9154.9148.3-87.9-131.8000122.4
486N27.4Very low29.3Very low120 Ų120131.2 Ų131.264%0.64271%0.711SS**  trans70149.5152.9-70.111.2000120.3
487E25.6Very low29.7Very low158 Ų158129.9 Ų129.974%0.73870%0.704SS**  cis-162.5168.3-35-134.7173.9-177.600108
488T26.4Very low30Very low117 Ų117132 Ų13272%0.71871%0.71SS**  trans-29.6138.717048.70000118.2
489S28.7Very low30.3Very low105 Ų105129.2 Ų129.273%0.73470%0.701SS**  -173.3141.1117.632.80000115.4
490L27Very low30.9Very low133 Ų133130.5 Ų130.570%0.69670%0.701SS**  trans11.4150.9138.7-56.894.4000119.6
491F28.8Very low31.5Very low185 Ų185130.7 Ų130.781%0.81170%0.702SS**  cis-152.1168.742.1-89.9-88.6000114.1
492P37.4Very low32Very low96 Ų96131.2 Ų131.262%0.62370%0.704SS**  trans-112.8-170.7-179.542.4-30.6000114.4
493N31.9Very low32.4Very low138 Ų138132.3 Ų132.374%0.73871%0.706SS**  trans100.5162.8158.5-64.9-2.7000119.4
494D37.5Very low32.9Very low143 Ų143134.6 Ų134.677%0.76571%0.709SS**  trans88.6128.7170.9-55.21.9000116.6
495D39.4Very low33.2Very low124 Ų124132.4 Ų132.466%0.66371%0.705SS**  cis-165.4157.8-22.3-134.7-1000112.3
496N37Very low33.6Very low112 Ų112130.7 Ų130.760%0.59970%0.704SS**  trans66.3136.5143.7-72.6-35.1000125.3
497N37.7Very low33.9Very low125 Ų125133.1 Ų133.167%0.66871%0.712SS**  trans80.7138.3136.3-69-3.9000120.9
498N35.5Very low34Very low124 Ų124136.1 Ų136.166%0.66372%0.718SS**  cis-172.7161.5-20.1-125.517.8000110.2
499N38.4Very low34.6Very low120 Ų120135.4 Ų135.464%0.64272%0.715SS**  trans70.2150155.7-59.824000119.5
500D38.8Very low34.5Very low116 Ų116135.3 Ų135.362%0.6271%0.714SS**  cis-171.7157.5-22.9-94.3-23.7000108
501D39.7Very low34.7Very low134 Ų134136.4 Ų136.472%0.71772%0.72SS**  trans59.8149.7148.8-55.3-15.3000121.5
502E37.9Very low34.6Very low169 Ų169132 Ų13279%0.7971%0.712SS**  cis-158.2170-12.5-119.6-175.7172.400110.1
503D33.9Very low34.3Very low144 Ų144134.5 Ų134.577%0.7772%0.719SS**  trans-68.5164.2179.8-66.8-65.9000115.2
504N34.5Very low34.1Very low154 Ų154135 Ų13582%0.82472%0.721SS**  -180153.2109.2-94.3-67.8000114
505S29.4Very low33.6Very low91 Ų91132.6 Ų132.664%0.63672%0.715SS**  trans-92.8169.2-179.749.90000113.2
506D33.5Very low33.1Very low136 Ų136133 Ų13373%0.72772%0.722SS**  169130.2116.6-79.5-11.3000115.4
507E32.3Very low32.7Very low171 Ų171132.9 Ų132.980%0.79973%0.731SS**  trans39.8109.4140.1-50.4-164.3135.600124
508Y28.5Very low32.2Very low221 Ų221132.6 Ų132.687%0.86774%0.738SS**  31.9168.7106-79.7-59.6000122.7
509P38.7Very low31.8Very low103 Ų103132 Ų13267%0.66974%0.744SS**  cis-141.7-178.3-26.438.1-19.4000116.5
510S27.9Very low31.3Very low102 Ų102137.9 Ų137.971%0.71376%0.757SS**  trans101.5147.1131.4770000123.5
511L30.7Very low30.8Very low156 Ų156136.7 Ų136.782%0.81776%0.758SS**  trans98.680.4168.4-57.4175.7000116
512S27Very low30.2Very low93 Ų93136.2 Ų136.265%0.6576%0.76SS**  81.8125.667.574.40000115.4
513I30.4Very low29.8Very low148 Ų148136.2 Ų136.276%0.75977%0.765SS**  167.8121.2124.9-87.6162.1000111.8
514L28.1Very low29.4Very low149 Ų149133.9 Ų133.978%0.7876%0.76SS**  trans54.9104.3156.3-60.6168.9000119.4
515S26.3Very low29Very low93 Ų93133.3 Ų133.365%0.6576%0.757SS**  71.1134.171.274.70000114.4
516T29.3Very low28.9Very low131 Ų131133.9 Ų133.980%0.80476%0.761SS**  cis-174.6164-1.2170000105.7
517S29Very low28.5Very low111 Ų111134.7 Ų134.778%0.77677%0.765SS**  cis-171.3168.9-4.946.30000106.8
518S26.6Very low28.2Very low118 Ų118132.7 Ų132.783%0.82576%0.758SS**  cis-136.9129.48.155.20000111.4
519S26.5Very low28Very low113 Ų113128.5 Ų128.579%0.7975%0.747SS**  trans-136.1137.6169.650.40000110.2
520R28.6Very low27.3Very low243 Ų243132.5 Ų132.592%0.91775%0.754SS**  trans-150.4123163.1-91.4-172.2169.4-176.8-6.4104.2
521S27.9Very low27.1Very low91 Ų91135.2 Ų135.264%0.63675%0.753SS**  cis48117.524.979.50000112.3
522T27.8Very low26.9Very low124 Ų124134.4 Ų134.476%0.76175%0.749SS**  cis-166.3152.97.1170000103.9
523D28.3Very low26.8Very low169 Ų169134.7 Ų134.790%0.90475%0.751SS**  trans-159.9139.3145.1-94-32.7000110.3
524S26.7Very low26.6Very low94 Ų94133.3 Ų133.366%0.65776%0.755SS**  trans-82.1171.9177.947.80000111.8
525D25Very low26.4Very low143 Ų143137.4 Ų137.477%0.76576%0.76SS**  trans50.689.2155.7-56-39.3000118.3
526S28.5Very low26.4Very low103 Ų103143.9 Ų143.972%0.7277%0.772SS**  trans-130.579.8144.541.80000111I528S526-I528 PolarHBondContact O-N 2.98Å
527L23.8Very low26.2Very low152 Ų152142.8 Ų142.880%0.79677%0.769SS**  trans-57.394.1150.6-102.688.3000108.2
528I26.4Very low26.1Very low130 Ų130141.7 Ų141.767%0.66776%0.761SS**  trans-10296.9162.2-64.1-178.3000107.6S526 F530S526-I528 PolarHBondContact O-N 2.98Å; I528-F530 HydrophobicContact CG2-CD2 4.09Å; I528-F530 HydrophobicContact CG2-CE2 4.2Å; I528-F530 PolarHBondContact O-N 3.43Å
529Q24.3Very low26.1Very low133 Ų133142.4 Ų142.462%0.62176%0.756SS**  trans-58.5104.2164.9-66.4178.25.200109.2K531Q529-K531 PolarHBondContact O-N 3.17Å
530F24.8Very low26.2Very low187 Ų187143.6 Ų143.682%0.8275%0.754SS**  trans-79.467.1152-99-82.1000109.9I528 N532I528-F530 HydrophobicContact CG2-CD2 4.09Å; I528-F530 HydrophobicContact CG2-CE2 4.2Å; I528-F530 PolarHBondContact O-N 3.43Å; F530-N532 PolarHBondContact O-N 3.48Å
531K24Very low26.1Very low159 Ų159139.3 Ų139.369%0.69175%0.748SS**  trans-64.4106.2151.8-87.8-179.4175.4171.70107.3Q529Q529-K531 PolarHBondContact O-N 3.17Å
532N26.1Very low26.1Very low138 Ų138138.9 Ų138.974%0.73875%0.745SS**  trans-175.8131.6145.8-92.3-38.6000108.7F530F530-N532 PolarHBondContact O-N 3.48Å
533S24.8Very low26.1Very low100 Ų100140.7 Ų140.770%0.69975%0.745SS**  cis178.983.3-8-105.20000105.7
534S25.1Very low26.1Very low119 Ų119142.1 Ų142.183%0.83274%0.739SS**  trans-117.6109.1154.553.60000106.4Y536S534-Y536 PolarHBondContact O-N 3.37Å
535R25.6Very low26.3Very low235 Ų235142.7 Ų142.789%0.88774%0.735SS**  trans-66130.9-164.8-65.7174.5-178.9168.1-1.2110.5S537R535-S537 PolarHBondContact O-N 3.46Å
536Y24.4Very low26.5Very low229 Ų229146 Ų14690%0.89875%0.745SS**  trans-59.1122.2143.5-93-97.7000107.4S534S534-Y536 PolarHBondContact O-N 3.37Å
537S27Very low26.6Very low108 Ų108144.1 Ų144.176%0.75573%0.733SS**  trans-11195.8143.849.70000105.9R535R535-S537 PolarHBondContact O-N 3.46Å
538S25.6Very low26.8Very low87 Ų87143.4 Ų143.461%0.60873%0.728SS**  trans-55.5133.2146.549.60000107.4
539D27.3Very low27Very low134 Ų134145.6 Ų145.672%0.71774%0.738SS**  trans161.9147.6134.6-77-12.4000109.2
540N28.8Very low27.2Very low138 Ų138147.2 Ų147.274%0.73875%0.751SS**  trans78.6109-176.6-47.7-48.6000113.2
541L26.2Very low27.3Very low152 Ų152142.5 Ų142.580%0.79674%0.741SS**  66.9132.381.9-65.6160.7000111.2
542S27Very low27.6Very low83 Ų83143.1 Ų143.158%0.5875%0.75SS**  cis-176.7149.2-5.544.40000108.1
543E27.6Very low27.7Very low161 Ų161145.8 Ų145.875%0.75276%0.758SS**  trans67.3156.9165.3-58.3174.3133.300118.2
544Y29.3Very low27.9Very low199 Ų199145.7 Ų145.778%0.7876%0.757SS**  trans66.7122.7178.7-54.3-87.8000116
545D30.1Very low28Very low107 Ų107146.9 Ų146.957%0.57276%0.755SS**  cis-151.7104.15.1-126.6-39.3000112.5S547D545-S547 PolarHBondContact O-N 3.21Å; D545-S547 VanDerWaalsContact O-N 3.1Å; D545-S547 VanDerWaalsContact OD1-CB 3.3Å; D545-S547 WeakPolarHBondContact OD1-CB 3.34Å; D545-S547 PolarHBondContact OD1-OG 3.39Å
546E29.5Very low28.3Very low211 Ų211145.2 Ų145.299%0.98676%0.757SS**SBendtrans-78.367.5160.9-78.4-167.6127.300109.9
547S30Very low28.4Very low64 Ų64141.9 Ų141.945%0.44875%0.754SS.*  trans-147.23-174.770.80000118.4D545D545-S547 PolarHBondContact O-N 3.21Å; D545-S547 VanDerWaalsContact O-N 3.1Å; D545-S547 VanDerWaalsContact OD1-CB 3.3Å; D545-S547 WeakPolarHBondContact OD1-CB 3.34Å; D545-S547 PolarHBondContact OD1-OG 3.39Å
548I29.6Very low28.5Very low137 Ų137143 Ų14370%0.70376%0.756SS**SBendtrans-124.837.8-175-35.8-176.4000114.4
549M29.6Very low28.6Very low177 Ų177150.7 Ų150.787%0.87277%0.772SS**SBendtrans-134.98.8165.7-85.6-63.5-75.300114.8
550N28.9Very low28.7Very low167 Ų167152.1 Ų152.189%0.89377%0.774SS**SBendtrans-127.347.4-179.6-84.7-30.9000112.6
551S27.9Very low28.6Very low88 Ų88152 Ų15262%0.61577%0.773SS**  trans-156.329.7-173.446.80000117.5
552I29.3Very low28.8Very low172 Ų172154.2 Ų154.288%0.88278%0.777SS**  trans-127.362.7158.3-47.8-178.1000110.4
553Q28.9Very low28.9Very low193 Ų193159.1 Ų159.190%0.90279%0.793SS**  trans-136.652.8173.8-159.5168.87.600112.1
554S28Very low28.9Very low98 Ų98160.9 Ų160.969%0.68580%0.798SS**  trans-158.2151.2160.759.40000111.6
555N28.3Very low28.9Very low145 Ų145157 Ų15778%0.77580%0.8SS**  trans68.579.1167.5-55.5-36.3000118.7
556Q30.9Very low28.7Very low200 Ų200158.2 Ų158.294%0.93581%0.806SS**  -154.972.7112.5-109.2172.750.900112.1
557N26.5Very low28.8Very low158 Ų158157.7 Ų157.785%0.84580%0.804SS**  trans-66.4163.7151.1-88.6-42.5000109.6
558V28.8Very low28.5Very low131 Ų131162.5 Ų162.579%0.79482%0.819SS**  trans81.678.1179.2-162.80000115.5
559R28.9Very low28.4Very low249 Ų249164 Ų16494%0.9483%0.828SS**  -154.2120.5110-108168.6-174-177.41.9111.2
560Q29.7Very low28Very low165 Ų165161.6 Ų161.677%0.77182%0.823SS**  trans-89.8163.1-171.5-58173.6-28.500112.8
561N26.7Very low28Very low134 Ų134161.2 Ų161.272%0.71782%0.82SS**  trans91131.2143.8-63.4-37.9000121.1
562K29.7Very low28Very low199 Ų199162.6 Ų162.687%0.86582%0.824SS**  trans75129.4166.9-61.8175178.2177.90115.2
563M29.3Very low27.7Very low187 Ų187162.4 Ų162.492%0.92183%0.825SS**  cis-131.1148.313.6-72.1-177153.500113.7
564K27.5Very low27.9Very low198 Ų198158.9 Ų158.986%0.86182%0.821SS**  trans-87.1144.9161.4-68.8178.7174.1-178.10109.8
565S29.7Very low27.8Very low118 Ų118158.8 Ų158.883%0.82582%0.821SS**  trans-161.7119.5139.254.60000110.3
566N25.4Very low27.9Very low131 Ų131158.6 Ų158.670%0.70182%0.82SS**  trans-71.2159.9-179.5-51.2-14000111.6
567Q31.2Very low27.8Very low200 Ų200156.2 Ų156.294%0.93581%0.814SS**  trans-155.4122.3130.6-113.3166.71400110.7
568E24.4Very low27.8Very low165 Ų165152.7 Ų152.777%0.77180%0.801SS**  trans-83.4158.1176.2-61.2151.1121.300110.3
569L26.6Very low27.9Very low170 Ų170153.4 Ų153.489%0.8980%0.8SS**  trans-157.2118.6132.1-135.479.8000111.1
570T22.3Very low27.6Very low125 Ų125146.9 Ų146.977%0.76779%0.788SS**  trans-94167.5166.145.20000110.3
571I27.7Very low27.5Very low159 Ų159150.1 Ų150.182%0.81580%0.795SS**  trans146.4135.7158.8-80.8154000108.5
572V28.9Very low27.3Very low117 Ų117151.5 Ų151.571%0.70980%0.797SS**  cis-157.9142.1-20.3144.20000104.9
573D23.1Very low27.2Very low169 Ų169149 Ų14990%0.90480%0.798SS**  trans-86.8143.2166.3-87.1-45.5000111.3
574S31.4Very low27Very low118 Ų118146.2 Ų146.283%0.82579%0.787SS**  trans-151.8142.7161.559.70000111.4
575S27.4Very low27.1Very low96 Ų96144.6 Ų144.667%0.67179%0.788SS**  trans-118.2-179-153.255.20000115.2
576N28.7Very low27Very low141 Ų141146.1 Ų146.175%0.75479%0.787SS**  trans76.6146.2167-49.7-20.5000114.4
577N30.8Very low27.2Very low151 Ų151144.9 Ų144.981%0.80779%0.789SS**  cis-152.6176.526.4-133.8-5.8000114.1
578S25.8Very low27.2Very low83 Ų83141.9 Ų141.958%0.5878%0.779SS**  trans-81.5166.5-171.557.10000117.4
579N30.1Very low27.4Very low146 Ų146143.4 Ų143.478%0.78179%0.786SS**  trans156.397.7137.5-75.3-8.6000108.7
580V24.2Very low27.8Very low112 Ų112144.5 Ų144.568%0.67978%0.784SS**  55.2107.477.5-1760000114
581Y26.6Very low28.4Very low234 Ų234145.6 Ų145.692%0.91878%0.78SS**  -156.9146.1127.7-93.9-66.1000110.1
582Q23.2Very low28.6Very low162 Ų162144.5 Ų144.576%0.75778%0.775SS**  trans-100.4152.6-174.2-59.5158.7-69.200111.6
583T27.8Very low28.7Very low146 Ų146144.9 Ų144.990%0.89677%0.773SS**  -153143.512939.60000109.2
584N24.5Very low29.1Very low129 Ų129143.8 Ų143.869%0.6977%0.766SS**  trans-87.9154.9-171.5-51.3-37.7000112.3
585D29.7Very low29.1Very low164 Ų164142.7 Ų142.788%0.87776%0.758SS**  trans-156.3152130.1-106.7-30.2000111.2
586N26.9Very low29.4Very low151 Ų151147 Ų14781%0.80777%0.765SS**  trans-101.9107.1-156.8-64.9-52.3000115.1
587S28.8Very low29.4Very low104 Ų104148 Ų14873%0.72776%0.759SS**  trans-176.6133.3147.453.50000110.4
588D31.3Very low29.3Very low137 Ų137150 Ų15073%0.73376%0.761SS**  trans128.652.1164.9-68.9-22.5000116.7K590D588-K590 VanDerWaalsContact C-N 3.25Å; D588-K590 PolarHBondContact O-N 3.11Å; D588-K590 VanDerWaalsContact O-N 3.15Å
589E30.3Very low29.6Very low197 Ų197151 Ų15192%0.92177%0.765SS**THydrogen-bonded Turntrans-79.59.3-177.2-139.1175.1-162.500115.8
590K35.1Very low29.7Very low194 Ų194150.8 Ų150.884%0.84376%0.762SS**THydrogen-bonded Turntrans-106.3-4.9179.9-94.3-173.5175.8-177.50116.4D588D588-K590 VanDerWaalsContact C-N 3.25Å; D588-K590 PolarHBondContact O-N 3.11Å; D588-K590 VanDerWaalsContact O-N 3.15Å
591H34.1Very low30.1Very low147 Ų147150.1 Ų150.168%0.68176%0.758SS**SBendtrans-99.9-2.5-177.5-92.9-82.8000115.6
592L31.2Very low30.6Very low136 Ų136141.6 Ų141.671%0.71273%0.731SS**THydrogen-bonded Turntrans-91.4-2.1-167.5-147.173.6000116.2S595L592-S595 PolarHBondContact O-OG 2.99Å
593L30.7Very low31.5Very low126 Ų126138.3 Ų138.366%0.6672%0.722SS**THydrogen-bonded Turntrans-88.7-15.8-174-72.6175000115.5
594L32.2Very low32.3Very low146 Ų146135.3 Ų135.376%0.76470%0.704SS**SBendtrans-83.3-19.1178-98.177000114.2K596L594-K596 PolarHBondContact O-N 2.77Å
595S32.6Very low33.2Very low95 Ų95130.7 Ų130.766%0.66468%0.68SS**THydrogen-bonded Turntrans-81.6-8.7-172.659.30000115.2L592L592-S595 PolarHBondContact O-OG 2.99Å
596K32.3Very low33.8Very low185 Ų185128 Ų12880%0.80466%0.662SS**THydrogen-bonded Turntrans-94.7-6.4-177.5-82.2-175.5175.1176.90115.6L594 K598L594-K596 PolarHBondContact O-N 2.77Å; K596-K598 PolarHBondContact O-N 2.99Å
597Y28.6Very low34.8Very low164 Ų164125.7 Ų125.764%0.64365%0.645SS**  trans-94101.6-178.2-78-86.1000112.2
598K29.6Very low35.8Very low193 Ų193121.4 Ų121.484%0.83961%0.613SS**  trans-62.8125.9162.1-87-175.3174.3-179.40108.8K596 I600K596-K598 PolarHBondContact O-N 2.99Å; K598-I600 PolarHBondContact O-N 2.88Å
599P30.9Very low36.4Very low102 Ų102117 Ų11766%0.66259%0.59SS**  trans-72.4119.4178.229.1-33.6000110.2T601 T602P599-T601 PolarHBondContact O-N 2.91Å; P599-T602 HydrophobicContact CB-CG2 3.81Å; P599-T602 HydrophobicContact CG-CG2 4.02Å; P599-T602 WeakPolarHBondContact O-CG2 3.46Å
600I33.7Very low37Very low143 Ų143114 Ų11473%0.73357%0.574SS**SBendtrans-82.3109.6176-64.8174.5000108.6K598 T602K598-I600 PolarHBondContact O-N 2.88Å; I600-T602 PolarHBondContact O-N 3.32Å
601T33Very low37.5Very low97 Ų97109 Ų10960%0.59555%0.551SS**  trans46.564.2163.459.90000116.4P599P599-T601 PolarHBondContact O-N 2.91Å
602T36.8Very low38.3Very low55 Ų55102.5 Ų102.534%0.33752%0.521SS..  65.317.760.573.30000118.7P599 I600 H606P599-T602 HydrophobicContact CB-CG2 3.81Å; P599-T602 HydrophobicContact CG-CG2 4.02Å; P599-T602 WeakPolarHBondContact O-CG2 3.46Å; I600-T602 PolarHBondContact O-N 3.32Å; T602-H606 VanDerWaalsContact CB-CD2 3.42Å; T602-H606 WeakPolarHBondContact CB-CD2 3.48Å; T602-H606 WeakPolarHBondContact O-CB 3.5Å
603T41.4Very low39.1Very low94 Ų94100.4 Ų100.458%0.57751%0.514SS*.SBendtrans-111.1-27.6172.653.90000116.8K607T603-K607 WeakPolarHBondContact O-CD 3.49Å; T603-K607 VanDerWaalsContact O-CE 3.23Å; T603-K607 WeakPolarHBondContact O-CE 3.47Å; T603-K607 VanDerWaalsContact O-CG 3.26Å; T603-K607 WeakPolarHBondContact O-CG 3.36Å
604T44.9Very low39.7Very low82 Ų8296.5 Ų96.550%0.50350%0.5SS..SBendtrans-95.7-47.7177.2-55.70000111.6H606 K607 I608T604-H606 PolarHBondContact O-N 3.11Å; T604-K607 WeakPolarHBondContact O-CB 3.26Å; T604-K607 PolarHBondContact O-N 3.46Å; T604-K607 VanDerWaalsContact O-N 3.09Å; T604-I608 HydrophobicContact CG2-CD1 4.49Å; T604-I608 PolarHBondContact O-N 3.15Å; T604-I608 VanDerWaalsContact O-N 3.14Å
605T44.1Very low40.1Very low32 Ų3297.3 Ų97.320%0.19650%0.504CS..Hα-helixtrans-58.3-46.6173.930.90000112.3K607 I608 L609 S678T605-K607 PolarHBondContact O-N 3.4Å; T605-I608 PolarHBondContact O-N 3.3Å; T605-L609 VanDerWaalsContact O-CD1 3.23Å; T605-L609 WeakPolarHBondContact O-CD1 3.14Å; T605-L609 PolarHBondContact O-N 3.48Å; T605-S678 WeakPolarHBondContact CG2-OG 3.48Å
606H42.3Very low40.9Very low108 Ų10898.5 Ų98.550%0.550%0.503SS..Hα-helixtrans-62.4-26.3175.1-86.7-100.7000114.1T602 T604 F610T602-H606 VanDerWaalsContact CB-CD2 3.42Å; T602-H606 WeakPolarHBondContact CB-CD2 3.48Å; T602-H606 WeakPolarHBondContact O-CB 3.5Å; T604-H606 PolarHBondContact O-N 3.11Å; H606-F610 WeakPolarHBondContact O-CB 3.37Å; H606-F610 PolarHBondContact O-N 3.16Å; H606-F610 VanDerWaalsContact O-N 3.11Å
607K47.7Very low41.7Very low103 Ų10391.8 Ų91.845%0.44849%0.487SS..Hα-helixtrans-69.1-45.2170.7-74.6167.4-169.6161.90110.2T603 T604 T605 F610 Y611T603-K607 WeakPolarHBondContact O-CD 3.49Å; T603-K607 VanDerWaalsContact O-CE 3.23Å; T603-K607 WeakPolarHBondContact O-CE 3.47Å; T603-K607 VanDerWaalsContact O-CG 3.26Å; T603-K607 WeakPolarHBondContact O-CG 3.36Å; T604-K607 WeakPolarHBondContact O-CB 3.26Å; T604-K607 PolarHBondContact O-N 3.46Å; T604-K607 VanDerWaalsContact O-N 3.09Å; T605-K607 PolarHBondContact O-N 3.4Å; K607-F610 PolarHBondContact O-N 3.43Å; K607-Y611 HydrophobicContact CB-CE2 4.41Å; K607-Y611 WeakPolarHBondContact O-CD2 3.43Å; K607-Y611 PolarHBondContact O-N 3.37Å; K607-Y611 VanDerWaalsContact O-N 3.08Å
608I49.6Very low43.4Very low13 Ų1385.6 Ų85.67%0.06747%0.467CS..Hα-helixtrans-62.3-46.7179.3-60.2166.3000110.8T604 T605 F610 Y611 L612 I674T604-I608 HydrophobicContact CG2-CD1 4.49Å; T604-I608 PolarHBondContact O-N 3.15Å; T604-I608 VanDerWaalsContact O-N 3.14Å; T605-I608 PolarHBondContact O-N 3.3Å; I608-F610 VanDerWaalsContact C-N 3.34Å; I608-F610 PolarHBondContact O-N 3Å; I608-Y611 PolarHBondContact O-N 3.05Å; I608-L612 HydrophobicContact CG2-CD1 4.05Å; I608-L612 HydrophobicContact CG2-CG 4.47Å; I608-L612 PolarHBondContact O-N 3.44Å; I608-I674 HydrophobicContact CD1-CG2 4.37Å; I608-I674 HydrophobicContact CG2-CD1 4.09Å; I608-I674 HydrophobicContact CG2-CG2 4.06Å
609L43.3Very low45.5Very low45 Ų4577.5 Ų77.524%0.23644%0.435CS..Hα-helixtrans-57.3-44173.4-86.597.3000112.5T605 Y611 L612 T613 E671T605-L609 VanDerWaalsContact O-CD1 3.23Å; T605-L609 WeakPolarHBondContact O-CD1 3.14Å; T605-L609 PolarHBondContact O-N 3.48Å; L609-Y611 PolarHBondContact O-N 3.37Å; L609-L612 PolarHBondContact O-N 2.67Å; L609-T613 PolarHBondContact O-N 3.28Å; L609-T613 PolarHBondContact O-OG1 3.38Å; L609-E671 HydrophobicContact CD2-CG 4.38Å; L609-E671 HydrophobicContact CG-CG 4.04Å; L609-E671 WeakPolarHBondContact CG-OE1 3.47Å
610F42.5Very low48.1Very low135 Ų13573.1 Ų73.159%0.59241%0.406SS*.Hα-helixtrans-63.9-26.7177.7-168.8-88.7000112.8H606 K607 I608 T613 A614H606-F610 WeakPolarHBondContact O-CB 3.37Å; H606-F610 PolarHBondContact O-N 3.16Å; H606-F610 VanDerWaalsContact O-N 3.11Å; K607-F610 PolarHBondContact O-N 3.43Å; I608-F610 VanDerWaalsContact C-N 3.34Å; I608-F610 PolarHBondContact O-N 3Å; F610-T613 PolarHBondContact O-OG1 3.31Å; F610-A614 HydrophobicContact CE1-CB 4.45Å; F610-A614 WeakPolarHBondContact O-CB 3.46Å; F610-A614 PolarHBondContact O-N 3.3Å
611Y46.5Very low50.8Low89 Ų8967.1 Ų67.135%0.34937%0.374SS..Hα-helixtrans-86.4-29.9178.4-75.8-57.3000114.4K607 I608 L609 T613 K631K607-Y611 HydrophobicContact CB-CE2 4.41Å; K607-Y611 WeakPolarHBondContact O-CD2 3.43Å; K607-Y611 PolarHBondContact O-N 3.37Å; K607-Y611 VanDerWaalsContact O-N 3.08Å; I608-Y611 PolarHBondContact O-N 3.05Å; L609-Y611 PolarHBondContact O-N 3.37Å; Y611-T613 VanDerWaalsContact C-N 3.25Å; Y611-T613 PolarHBondContact O-N 3.35Å; Y611-K631 WeakPolarHBondContact OH-CE 3.38Å; Y611-K631 PolarHBondContact OH-NZ 3.47Å
612L50.8Low53.4Low10 Ų1064 Ų645%0.05236%0.355CS..Hα-helixtrans-70.9-24.2173-68168.9000112.5I608 L609 I667 E671 I674I608-L612 HydrophobicContact CG2-CD1 4.05Å; I608-L612 HydrophobicContact CG2-CG 4.47Å; I608-L612 PolarHBondContact O-N 3.44Å; L609-L612 PolarHBondContact O-N 2.67Å; L612-I667 HydrophobicContact CB-CG2 4.16Å; L612-E671 HydrophobicContact CD1-CG 3.81Å; L612-I674 HydrophobicContact CD1-CD1 3.67Å
613T48Very low55.8Low92 Ų9261.4 Ų61.456%0.56434%0.339SS*.SBendtrans-97.7-11-178.150.50000114.8L609 F610 Y611 I667L609-T613 PolarHBondContact O-N 3.28Å; L609-T613 PolarHBondContact O-OG1 3.38Å; F610-T613 PolarHBondContact O-OG1 3.31Å; Y611-T613 VanDerWaalsContact C-N 3.25Å; Y611-T613 PolarHBondContact O-N 3.35Å; T613-I667 HydrophobicContact CG2-CG2 4.44Å
614A43Very low57.8Low44 Ų4457.3 Ų57.336%0.36431%0.314SS..SBendtrans-111.2111.4-175.100000113.3F610F610-A614 HydrophobicContact CE1-CB 4.45Å; F610-A614 WeakPolarHBondContact O-CB 3.46Å; F610-A614 PolarHBondContact O-N 3.3Å
615D40.7Very low59.4Low162 Ų16255.4 Ų55.487%0.86630%0.299SS*.SBendtrans21.292163.9-81.6-32.1000118
616L48.5Very low61.1Low120 Ų12055.4 Ų55.463%0.62830%0.299SS*.  trans178.8117.6139.5-97.1157.8000109S618 S619L616-S618 VanDerWaalsContact C-N 3.26Å; L616-S618 PolarHBondContact O-N 3.33Å; L616-S618 VanDerWaalsContact O-N 3.07Å; L616-S619 WeakPolarHBondContact O-CB 3.18Å; L616-S619 PolarHBondContact O-N 2.95Å; L616-S619 PolarHBondContact O-OG 3.22Å
617G50Low62.3Low45 Ų4552 Ų5246%0.46428%0.284SS..THydrogen-bonded Turntrans-57.2-29.3-171.700000116.4
618S63.5Low62.7Low33 Ų3350.1 Ų50.123%0.23128%0.278CS..THydrogen-bonded Turntrans-77.5-14174.9-79.80000114.2D336 K338 L616 I620 Y621 T622D336-S618 VanDerWaalsContact OD1-CB 3.29Å; D336-S618 WeakPolarHBondContact OD1-CB 3.35Å; D336-S618 PolarHBondContact OD1-OG 3.43Å; K338-S618 WeakPolarHBondContact CD-OG 3.49Å; K338-S618 PolarHBondContact NZ-OG 3.49Å; L616-S618 VanDerWaalsContact C-N 3.26Å; L616-S618 PolarHBondContact O-N 3.33Å; L616-S618 VanDerWaalsContact O-N 3.07Å; S618-I620 VanDerWaalsContact C-N 3.31Å; S618-I620 PolarHBondContact O-N 2.95Å; S618-Y621 PolarHBondContact O-N 2.64Å; S618-T622 PolarHBondContact O-OG1 2.84Å
619S74Confident62.8Low23 Ų2354.7 Ų54.716%0.16130%0.299CS..THydrogen-bonded Turntrans-67.3-30.9-172.770.60000113L616 Y621 T622 Q627L616-S619 WeakPolarHBondContact O-CB 3.18Å; L616-S619 PolarHBondContact O-N 2.95Å; L616-S619 PolarHBondContact O-OG 3.22Å; S619-Y621 VanDerWaalsContact C-N 3.32Å; S619-Y621 PolarHBondContact O-N 3.49Å; S619-T622 VanDerWaalsContact O-CB 3.29Å; S619-T622 WeakPolarHBondContact O-CB 3.43Å; S619-T622 PolarHBondContact O-N 3.4Å; S619-Q627 PolarHBondContact O-NE2 3.05Å
620I85Confident63Low11 Ų1157.7 Ų57.76%0.05632%0.323CS..THydrogen-bonded Turntrans-61-38.9-177.5-56.3173.8000111.6S618 T622 L666 I667 L670S618-I620 VanDerWaalsContact C-N 3.31Å; S618-I620 PolarHBondContact O-N 2.95Å; I620-T622 VanDerWaalsContact C-N 3.33Å; I620-L666 HydrophobicContact CG2-CD2 4.04Å; I620-L666 HydrophobicContact CG2-CG 4.49Å; I620-I667 HydrophobicContact CD1-CD1 3.92Å; I620-I667 HydrophobicContact CD1-CG1 4.03Å; I620-I667 HydrophobicContact CG1-CD1 4.45Å; I620-I667 HydrophobicContact CG1-CG1 4.32Å; I620-L670 HydrophobicContact CG2-CD1 3.69Å
621Y90.4Very high63.1Low16 Ų1656.9 Ų56.96%0.06332%0.319CS..THydrogen-bonded Turntrans-81.5-12177.8-49.7-80.1000113.1L337 K338 P339 S618 S619 S648 V651 I652 E655L337-Y621 WeakPolarHBondContact O-CB 3.4Å; K338-Y621 HydrophobicContact CB-CD2 3.55Å; K338-Y621 HydrophobicContact CB-CE2 3.77Å; K338-Y621 HydrophobicContact CB-CG 3.98Å; P339-Y621 VanDerWaalsContact CD-CE1 3.45Å; P339-Y621 VanDerWaalsContact CD-OH 3.31Å; P339-Y621 WeakPolarHBondContact CD-OH 3.11Å; P339-Y621 HydrophobicContact CG-CE1 4Å; S618-Y621 PolarHBondContact O-N 2.64Å; S619-Y621 VanDerWaalsContact C-N 3.32Å; S619-Y621 PolarHBondContact O-N 3.49Å; Y621-S648 WeakPolarHBondContact O-CA 3.43Å; Y621-S648 WeakPolarHBondContact O-CB 3.44Å; Y621-S648 PolarHBondContact O-OG 3.44Å; Y621-V651 HydrophobicContact CD1-CB 3.92Å; Y621-V651 HydrophobicContact CD1-CG1 3.56Å; Y621-V651 HydrophobicContact CE1-CG1 3.78Å; Y621-I652 HydrophobicContact CD1-CG1 4.11Å; Y621-I652 HydrophobicContact CE1-CG1 4.29Å; Y621-E655 VanDerWaalsContact CE1-OE1 3.29Å; Y621-E655 WeakPolarHBondContact CE1-OE1 3.19Å; Y621-E655 PolarHBondContact OH-OE1 2.97Å
622T87.6Confident62.8Low32 Ų3257.8 Ų57.820%0.19633%0.33CS..SBendtrans-77.6125.8-174.4-59.20000110.6S618 S619 I620 V626 Q627S618-T622 PolarHBondContact O-OG1 2.84Å; S619-T622 VanDerWaalsContact O-CB 3.29Å; S619-T622 WeakPolarHBondContact O-CB 3.43Å; S619-T622 PolarHBondContact O-N 3.4Å; I620-T622 VanDerWaalsContact C-N 3.33Å; T622-V626 HydrophobicContact CG2-CB 3.86Å; T622-V626 HydrophobicContact CG2-CG1 3.92Å; T622-Q627 HydrophobicContact CG2-CG 3.87Å; T622-Q627 PolarHBondContact O-NE2 2.87Å
623A87.7Confident62.4Low1 Ų164.7 Ų64.71%0.00836%0.359CS..  trans-59.3138.4-178.800000113.2E625 V626 Q627 V644 Y647A623-E625 VanDerWaalsContact C-N 3.27Å; A623-E625 WeakPolarHBondContact CB-OE1 3.37Å; A623-E625 WeakPolarHBondContact CB-OE2 3.23Å; A623-E625 PolarHBondContact O-N 2.86Å; A623-E625 VanDerWaalsContact O-N 3.15Å; A623-V626 HydrophobicContact CB-CG2 4.26Å; A623-V626 WeakPolarHBondContact O-CB 3.48Å; A623-V626 PolarHBondContact O-N 3.45Å; A623-Q627 PolarHBondContact O-N 3.4Å; A623-V644 HydrophobicContact CB-CB 4.08Å; A623-V644 HydrophobicContact CB-CG1 4.27Å; A623-Y647 HydrophobicContact CB-CD1 3.92Å; A623-Y647 HydrophobicContact CB-CG 3.88Å
624P83Confident62.2Low7 Ų763.6 Ų63.65%0.04536%0.356CS..Hα-helixtrans-57.4-31.7-174.4-29.537.3000115.2V626 Q627 N628 Y647 L737P624-V626 VanDerWaalsContact C-N 3.27Å; P624-V626 PolarHBondContact O-N 3.46Å; P624-Q627 PolarHBondContact O-N 3.28Å; P624-N628 WeakPolarHBondContact O-CB 3.39Å; P624-N628 PolarHBondContact O-N 3.46Å; P624-N628 PolarHBondContact O-ND2 2.78Å; P624-Y647 HydrophobicContact CG-CE2 4.28Å; P624-L737 HydrophobicContact CB-CD2 4.33Å; P624-L737 HydrophobicContact CG-CD2 3.81Å
625E79.8Confident62.1Low42 Ų4270.7 Ų70.720%0.19638%0.381CS..Hα-helixtrans-66.8-25.5175.969.2-82.3-167.100113.6A623 V644 V739 R742A623-E625 VanDerWaalsContact C-N 3.27Å; A623-E625 WeakPolarHBondContact CB-OE1 3.37Å; A623-E625 WeakPolarHBondContact CB-OE2 3.23Å; A623-E625 PolarHBondContact O-N 2.86Å; A623-E625 VanDerWaalsContact O-N 3.15Å; E625-V644 HydrophobicContact CG-CG1 4.4Å; E625-V644 WeakPolarHBondContact OE1-CG1 3.13Å; E625-V739 HydrophobicContact CG-CG2 4.13Å; E625-R742 IonicContact OE1-CZ 3.15Å; E625-R742 IonicContact OE1-NH1 3.81Å; E625-R742 PolarHBondContact OE1-NH1 3.23Å; E625-R742 IonicContact OE1-NH2 2.66Å; E625-R742 PolarHBondContact OE1-NH2 3.36Å; E625-R742 VanDerWaalsContact OE1-NH2 3.13Å; E625-R742 IonicContact OE2-CZ 3.6Å; E625-R742 IonicContact OE2-NH1 4Å; E625-R742 IonicContact OE2-NH2 2.64Å; E625-R742 PolarHBondContact OE2-NH2 3.41Å
626V79Confident62Low32 Ų3271 Ų7119%0.19438%0.377CS..Hα-helixtrans-73-38.7173.1-177.20000110T622 A623 P624 Y640 V644T622-V626 HydrophobicContact CG2-CB 3.86Å; T622-V626 HydrophobicContact CG2-CG1 3.92Å; A623-V626 HydrophobicContact CB-CG2 4.26Å; A623-V626 WeakPolarHBondContact O-CB 3.48Å; A623-V626 PolarHBondContact O-N 3.45Å; P624-V626 VanDerWaalsContact C-N 3.27Å; P624-V626 PolarHBondContact O-N 3.46Å; V626-Y640 HydrophobicContact CG1-CE1 4.25Å; V626-Y640 HydrophobicContact CG2-CD1 4.12Å; V626-Y640 HydrophobicContact CG2-CE1 4.41Å; V626-Y640 HydrophobicContact CG2-CG 4.26Å; V626-V644 HydrophobicContact CG2-CB 3.98Å; V626-V644 HydrophobicContact CG2-CG1 3.44Å; V626-V644 VanDerWaalsContact CG2-CG1 3.44Å
627Q67.1Low61.9Low38 Ų3875.8 Ų75.818%0.17839%0.387CS..Hα-helixtrans-75.6-42.3-177-57.8-175.3-3.700112.8S619 T622 A623 P624 H629 C630S619-Q627 PolarHBondContact O-NE2 3.05Å; T622-Q627 HydrophobicContact CG2-CG 3.87Å; T622-Q627 PolarHBondContact O-NE2 2.87Å; A623-Q627 PolarHBondContact O-N 3.4Å; P624-Q627 PolarHBondContact O-N 3.28Å; Q627-H629 VanDerWaalsContact C-N 3.26Å; Q627-H629 PolarHBondContact O-N 3Å; Q627-H629 VanDerWaalsContact O-N 3.13Å; Q627-C630 PolarHBondContact O-N 2.94Å
628N57.6Low62Low63 Ų6376.2 Ų76.234%0.33738%0.38SS..Hα-helixtrans-64.1-22.5-168.1-83.9-42.8000115.1P624P624-N628 WeakPolarHBondContact O-CB 3.39Å; P624-N628 PolarHBondContact O-N 3.46Å; P624-N628 PolarHBondContact O-ND2 2.78Å
629H50Low61.8Low109 Ų10982.7 Ų82.751%0.50541%0.411SS..THydrogen-bonded Turntrans-102.2-3.6-173.9-73.5-71.7000116Q627 K631 N632 T638Q627-H629 VanDerWaalsContact C-N 3.26Å; Q627-H629 PolarHBondContact O-N 3Å; Q627-H629 VanDerWaalsContact O-N 3.13Å; H629-K631 PolarHBondContact O-N 2.76Å; H629-N632 PolarHBondContact O-N 2.82Å; H629-T638 HydrophobicContact CB-CG2 4.09Å
630C48.5Very low61.8Low107 Ų10783.2 Ų83.272%0.72341%0.41SS*.THydrogen-bonded Turntrans-65.44.5176.8-72.90000115.4Q627Q627-C630 PolarHBondContact O-N 2.94Å
631K44.2Very low61.7Low118 Ų11885.5 Ų85.551%0.51342%0.423SS..THydrogen-bonded Turntrans-105.1-14179.3-71.1-171177-1780115.4Y611 H629 K633Y611-K631 WeakPolarHBondContact OH-CE 3.38Å; Y611-K631 PolarHBondContact OH-NZ 3.47Å; H629-K631 PolarHBondContact O-N 2.76Å; K631-K633 PolarHBondContact O-N 3.47Å; K631-K633 VanDerWaalsContact O-N 3.17Å
632N39.4Very low61.7Low108 Ų10888.5 Ų88.558%0.57843%0.434SS*.  trans-77.8104.9176-74.7-3.4000108.9H629 S634H629-N632 PolarHBondContact O-N 2.82Å; N632-S634 PolarHBondContact O-N 3.4Å
633K44.3Very low61.9Low155 Ų15587.8 Ų87.867%0.67443%0.428SS*.  trans-63.1-7.2-177.9-69.4-174175.6-176.70114.6L193 K631 H635L193-K633 VanDerWaalsContact CB-NZ 3.33Å; K631-K633 PolarHBondContact O-N 3.47Å; K631-K633 VanDerWaalsContact O-N 3.17Å; K633-H635 PolarHBondContact O-N 3.15Å; K633-H635 PolarHBondContact O-ND1 3.46Å; K633-H635 VanDerWaalsContact O-ND1 3.13Å
634S43.8Very low62.1Low70 Ų7087.9 Ų87.949%0.4943%0.429SS..SBendtrans-62.4121.6165.150.20000110.4N632 Q636N632-S634 PolarHBondContact O-N 3.4Å; S634-Q636 PolarHBondContact O-N 2.82Å
635H40.9Very low62.7Low192 Ų19287.6 Ų87.689%0.88943%0.427SS*.  trans-71.230-176.5-72.543.8000114.7K633 R637K633-H635 PolarHBondContact O-N 3.15Å; K633-H635 PolarHBondContact O-ND1 3.46Å; K633-H635 VanDerWaalsContact O-ND1 3.13Å; H635-R637 PolarHBondContact O-N 3.37Å
636Q37.5Very low63.4Low168 Ų16885.6 Ų85.679%0.78542%0.418SS*.PPolyproline II helixtrans-73.7122172.1-79.5-179.8-26.400109.7S634 T638S634-Q636 PolarHBondContact O-N 2.82Å; Q636-T638 PolarHBondContact O-N 3.37Å
637R47.6Very low64.2Low221 Ų22184.1 Ų84.183%0.83441%0.409SS*.PPolyproline II helixtrans-57.7126.6174.9-73.9175.2167171.6-5.8109.6H635 L639H635-R637 PolarHBondContact O-N 3.37Å; R637-L639 PolarHBondContact O-N 2.87Å
638T51.7Low65.5Low54 Ų5482.5 Ų82.533%0.33140%0.402SS..PPolyproline II helixtrans-59.3129.9177.641.90000111.4R426 H629 Q636 Y640R426-T638 PolarHBondContact NH1-O 3.22Å; H629-T638 HydrophobicContact CB-CG2 4.09Å; Q636-T638 PolarHBondContact O-N 3.37Å; T638-Y640 WeakPolarHBondContact OG1-CE1 3.31Å
639L58.3Low67.4Low169 Ų16979.5 Ų79.589%0.88539%0.386SS*.  trans-96.6106173.1-82.1154.1000108.4R637R637-L639 PolarHBondContact O-N 2.87Å
640Y73.6Confident69.5Low34 Ų3474.3 Ų74.313%0.13336%0.362CS..  trans-135.5156.8165.350.6-105.4000107.7I333 R335 V626 T638 V644I333-Y640 HydrophobicContact CD1-CD2 4.43Å; R335-Y640 WeakPolarHBondContact CD-OH 3.36Å; R335-Y640 HydrophobicContact CG-CE2 4.18Å; R335-Y640 PolarHBondContact NH1-OH 3.23Å; V626-Y640 HydrophobicContact CG1-CE1 4.25Å; V626-Y640 HydrophobicContact CG2-CD1 4.12Å; V626-Y640 HydrophobicContact CG2-CE1 4.41Å; V626-Y640 HydrophobicContact CG2-CG 4.26Å; T638-Y640 WeakPolarHBondContact OG1-CE1 3.31Å; Y640-V644 HydrophobicContact CD2-CG1 3.85Å; Y640-V644 HydrophobicContact CD2-CG2 4.22Å; Y640-V644 HydrophobicContact CG-CG1 3.96Å
641N84Confident71.7Confident60 Ų6069.2 Ų69.232%0.32133%0.327SS..  trans-108.7-172.3-176.86513.5000110.9K643 V644N641-K643 PolarHBondContact O-N 2.85Å; N641-K643 VanDerWaalsContact O-N 3.09Å; N641-K643 WeakPolarHBondContact OD1-CB 3.5Å; N641-K643 VanDerWaalsContact OD1-CG 3.25Å; N641-K643 WeakPolarHBondContact OD1-CG 3.46Å; N641-K643 PolarHBondContact OD1-N 2.79Å; N641-V644 WeakPolarHBondContact O-CG2 3.41Å; N641-V644 PolarHBondContact O-N 2.81Å
642Y90.8Very high74.2Confident79 Ų7963.6 Ų63.631%0.3130%0.303SS..THydrogen-bonded Turntrans-59.6-15.2179.663.4-100.9000114.9H328 V644 D645 N744H328-Y642 PolarHBondContact CE1-O 2.97Å; H328-Y642 VanDerWaalsContact CE1-O 3.26Å; H328-Y642 AromaticContact ND1-CD2 3.75Å; Y642-V644 PolarHBondContact O-N 3.28Å; Y642-V644 VanDerWaalsContact O-N 3.16Å; Y642-D645 PolarHBondContact O-N 3.31Å; Y642-N744 HydrophobicContact CE2-CB 3.59Å
643K91.6Very high76.8Confident16 Ų1658.5 Ų58.57%0.0728%0.275CS..Hα-helixtrans-66.8-13.8179.3-57.3-77-173.8174.70113.2N641 D645 I646 Y647 V739 R742 P743 N744N641-K643 PolarHBondContact O-N 2.85Å; N641-K643 VanDerWaalsContact O-N 3.09Å; N641-K643 WeakPolarHBondContact OD1-CB 3.5Å; N641-K643 VanDerWaalsContact OD1-CG 3.25Å; N641-K643 WeakPolarHBondContact OD1-CG 3.46Å; N641-K643 PolarHBondContact OD1-N 2.79Å; K643-D645 VanDerWaalsContact C-N 3.33Å; K643-I646 WeakPolarHBondContact O-CB 3.46Å; K643-I646 PolarHBondContact O-N 2.82Å; K643-Y647 PolarHBondContact O-N 2.95Å; K643-Y647 VanDerWaalsContact O-N 3.14Å; K643-V739 HydrophobicContact CB-CG1 3.8Å; K643-V739 HydrophobicContact CG-CG1 3.88Å; K643-R742 HydrophobicContact CD-CB 4.1Å; K643-R742 PolarHBondContact NZ-O 3.16Å; K643-R742 PolarHBondContact O-NH1 3.14Å; K643-P743 VanDerWaalsContact CD-O 3.31Å; K643-P743 WeakPolarHBondContact CD-O 3.4Å; K643-P743 PolarHBondContact NZ-O 3.47Å; K643-P743 VanDerWaalsContact NZ-O 3.11Å; K643-N744 VanDerWaalsContact NZ-N 3.13Å
644V91.9Very high79.2Confident4 Ų451.2 Ų51.22%0.02424%0.244CC..Hα-helixtrans-63.4-41.2173-57.40000111I333 A623 E625 V626 Y640 N641 Y642 I646 Y647 S648I333-V644 HydrophobicContact CG2-CG2 3.47Å; I333-V644 VanDerWaalsContact CG2-CG2 3.47Å; A623-V644 HydrophobicContact CB-CB 4.08Å; A623-V644 HydrophobicContact CB-CG1 4.27Å; E625-V644 HydrophobicContact CG-CG1 4.4Å; E625-V644 WeakPolarHBondContact OE1-CG1 3.13Å; V626-V644 HydrophobicContact CG2-CB 3.98Å; V626-V644 HydrophobicContact CG2-CG1 3.44Å; V626-V644 VanDerWaalsContact CG2-CG1 3.44Å; Y640-V644 HydrophobicContact CD2-CG1 3.85Å; Y640-V644 HydrophobicContact CD2-CG2 4.22Å; Y640-V644 HydrophobicContact CG-CG1 3.96Å; N641-V644 WeakPolarHBondContact O-CG2 3.41Å; N641-V644 PolarHBondContact O-N 2.81Å; Y642-V644 PolarHBondContact O-N 3.28Å; Y642-V644 VanDerWaalsContact O-N 3.16Å; V644-I646 VanDerWaalsContact C-N 3.29Å; V644-I646 PolarHBondContact O-N 3.42Å; V644-Y647 PolarHBondContact O-N 3.05Å; V644-S648 PolarHBondContact O-N 2.84Å; V644-S648 PolarHBondContact O-OG 3.28Å
645D94.7Very high81.4Confident0 Ų048.9 Ų48.90%023%0.225CC..Hα-helixtrans-66.9-34.5176.5-65.2-23.7000110.6V324 H328 I333 H334 R335 L337 Y642 K643 S648 L649V324-D645 HydrophobicContact CG1-CB 4.34Å; H328-D645 IonicContact CD2-OD2 3.61Å; H328-D645 IonicContact CE1-OD2 3.81Å; H328-D645 IonicContact NE2-OD2 2.68Å; H328-D645 PolarHBondContact NE2-OD2 2.92Å; I333-D645 WeakPolarHBondContact CA-OD2 3.29Å; I333-D645 WeakPolarHBondContact CG2-OD2 3.42Å; H334-D645 PolarHBondContact N-OD1 3.36Å; H334-D645 PolarHBondContact N-OD2 2.8Å; R335-D645 PolarHBondContact N-OD1 2.88Å; L337-D645 HydrophobicContact CD1-CB 3.7Å; Y642-D645 PolarHBondContact O-N 3.31Å; K643-D645 VanDerWaalsContact C-N 3.33Å; D645-S648 WeakPolarHBondContact O-CB 3.41Å; D645-S648 PolarHBondContact O-N 3.15Å; D645-L649 WeakPolarHBondContact O-CG 3.37Å; D645-L649 PolarHBondContact O-N 3.24Å
646I95.9Very high83.8Confident0 Ų039.7 Ų39.70%018%0.183CC..Hα-helixtrans-65-38.5176.6-54.7-56.4000112K643 V644 L649 G650 M734 R742 P743 A745 I748K643-I646 WeakPolarHBondContact O-CB 3.46Å; K643-I646 PolarHBondContact O-N 2.82Å; V644-I646 VanDerWaalsContact C-N 3.29Å; V644-I646 PolarHBondContact O-N 3.42Å; I646-L649 HydrophobicContact CD1-CD1 4.37Å; I646-L649 PolarHBondContact O-N 2.84Å; I646-G650 PolarHBondContact O-N 3.12Å; I646-M734 HydrophobicContact CG2-CB 4.21Å; I646-M734 HydrophobicContact CG2-CE 4.48Å; I646-M734 HydrophobicContact CG2-CG 3.97Å; I646-R742 HydrophobicContact CG2-CB 4.49Å; I646-P743 HydrophobicContact CG2-CG 4.42Å; I646-A745 HydrophobicContact CD1-CB 4.07Å; I646-I748 HydrophobicContact CD1-CD1 3.88Å; I646-I748 HydrophobicContact CG2-CD1 3.78Å
647Y94.9Very high86.3Confident2 Ų232 Ų321%0.00815%0.146CC..Hα-helixtrans-64.4-45.3172.7-179.2-83.9000110.9A623 P624 K643 V644 L649 G650 V651 L735A623-Y647 HydrophobicContact CB-CD1 3.92Å; A623-Y647 HydrophobicContact CB-CG 3.88Å; P624-Y647 HydrophobicContact CG-CE2 4.28Å; K643-Y647 PolarHBondContact O-N 2.95Å; K643-Y647 VanDerWaalsContact O-N 3.14Å; V644-Y647 PolarHBondContact O-N 3.05Å; Y647-L649 VanDerWaalsContact C-N 3.33Å; Y647-L649 PolarHBondContact O-N 2.99Å; Y647-G650 WeakPolarHBondContact O-CA 3.47Å; Y647-G650 PolarHBondContact O-N 3.06Å; Y647-V651 HydrophobicContact CD1-CG2 4.25Å; Y647-V651 HydrophobicContact CE1-CG2 3.82Å; Y647-V651 PolarHBondContact O-N 3.37Å; Y647-V651 VanDerWaalsContact O-N 3.14Å; Y647-L735 HydrophobicContact CD2-CD2 4.14Å; Y647-L735 HydrophobicContact CE1-CD2 4.45Å; Y647-L735 HydrophobicContact CE2-CB 4.44Å; Y647-L735 HydrophobicContact CE2-CD2 3.89Å
648S94.9Very high88.2Confident4 Ų422.7 Ų22.73%0.02811%0.113CC..Hα-helixtrans-58.3-43.9176.4-53.60000112.1Y621 V644 D645 G650 V651 I652Y621-S648 WeakPolarHBondContact O-CA 3.43Å; Y621-S648 WeakPolarHBondContact O-CB 3.44Å; Y621-S648 PolarHBondContact O-OG 3.44Å; V644-S648 PolarHBondContact O-N 2.84Å; V644-S648 PolarHBondContact O-OG 3.28Å; D645-S648 WeakPolarHBondContact O-CB 3.41Å; D645-S648 PolarHBondContact O-N 3.15Å; S648-G650 VanDerWaalsContact C-N 3.27Å; S648-G650 PolarHBondContact O-N 3.3Å; S648-V651 PolarHBondContact O-N 3.37Å; S648-I652 WeakPolarHBondContact O-CG1 3.29Å; S648-I652 PolarHBondContact O-N 3.44Å; S648-I652 VanDerWaalsContact O-N 3.08Å
649L96.5Very high89.7Confident0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-59.3-36.7171.2-72.2-176.5000112.5I320 V321 V324 L337 D645 I646 Y647 V651 I652 F653 M734I320-L649 HydrophobicContact CG2-CD2 3.34Å; V321-L649 HydrophobicContact CG2-CD1 4.25Å; V324-L649 HydrophobicContact CB-CD1 4.11Å; V324-L649 HydrophobicContact CG1-CD1 4.1Å; V324-L649 HydrophobicContact CG2-CD1 3.92Å; V324-L649 HydrophobicContact CG2-CD2 4.1Å; V324-L649 HydrophobicContact CG2-CG 4.29Å; L337-L649 HydrophobicContact CD1-CD2 4.07Å; L337-L649 HydrophobicContact CD1-CG 4.1Å; D645-L649 WeakPolarHBondContact O-CG 3.37Å; D645-L649 PolarHBondContact O-N 3.24Å; I646-L649 HydrophobicContact CD1-CD1 4.37Å; I646-L649 PolarHBondContact O-N 2.84Å; Y647-L649 VanDerWaalsContact C-N 3.33Å; Y647-L649 PolarHBondContact O-N 2.99Å; L649-V651 VanDerWaalsContact C-N 3.33Å; L649-V651 PolarHBondContact O-N 3.47Å; L649-I652 HydrophobicContact CD2-CD1 4.48Å; L649-I652 PolarHBondContact O-N 3.38Å; L649-F653 VanDerWaalsContact O-CB 3.31Å; L649-F653 WeakPolarHBondContact O-CB 3.14Å; L649-F653 WeakPolarHBondContact O-CD1 3.5Å; L649-F653 VanDerWaalsContact O-CG 3.29Å; L649-F653 WeakPolarHBondContact O-CG 3.25Å; L649-F653 PolarHBondContact O-N 3.24Å; L649-M734 HydrophobicContact CB-CE 3.38Å; L649-M734 HydrophobicContact CD1-CE 4.42Å
650G95.6Very high90.9Very high0 Ų013.5 Ų13.50%06%0.064CC..Hα-helixtrans-61.5-41.2177.600000112.1I646 Y647 S648 F653 F654I646-G650 PolarHBondContact O-N 3.12Å; Y647-G650 WeakPolarHBondContact O-CA 3.47Å; Y647-G650 PolarHBondContact O-N 3.06Å; S648-G650 VanDerWaalsContact C-N 3.27Å; S648-G650 PolarHBondContact O-N 3.3Å; G650-F653 PolarHBondContact O-N 2.97Å; G650-F654 WeakPolarHBondContact O-CB 3.43Å; G650-F654 PolarHBondContact O-N 2.9Å
651V94.7Very high91.2Very high0 Ų017.2 Ų17.20%08%0.081CC..Hα-helixtrans-67.6-45.6175.8-177.70000110.8Y621 Y647 S648 L649 F653 F654 E655 L666 L670 L735Y621-V651 HydrophobicContact CD1-CB 3.92Å; Y621-V651 HydrophobicContact CD1-CG1 3.56Å; Y621-V651 HydrophobicContact CE1-CG1 3.78Å; Y647-V651 HydrophobicContact CD1-CG2 4.25Å; Y647-V651 HydrophobicContact CE1-CG2 3.82Å; Y647-V651 PolarHBondContact O-N 3.37Å; Y647-V651 VanDerWaalsContact O-N 3.14Å; S648-V651 PolarHBondContact O-N 3.37Å; L649-V651 VanDerWaalsContact C-N 3.33Å; L649-V651 PolarHBondContact O-N 3.47Å; V651-F653 VanDerWaalsContact C-N 3.31Å; V651-F653 PolarHBondContact O-N 2.73Å; V651-F654 WeakPolarHBondContact O-CB 3.23Å; V651-F654 PolarHBondContact O-N 3.22Å; V651-E655 PolarHBondContact O-N 3Å; V651-E655 VanDerWaalsContact O-N 3.07Å; V651-L666 HydrophobicContact CG1-CD1 4.38Å; V651-L666 HydrophobicContact CG1-CD2 4.23Å; V651-L670 HydrophobicContact CG1-CD1 4.03Å; V651-L670 HydrophobicContact CG2-CD1 4.26Å; V651-L670 HydrophobicContact CG2-CD2 4.06Å; V651-L735 HydrophobicContact CG2-CD2 3.59Å
652I95.1Very high91.1Very high0 Ų017.5 Ų17.50%09%0.085CC..Hα-helixtrans-59-43.3176.2-64.9167.1000110.8L276 L337 P339 Y621 S648 L649 E655 M656L276-I652 HydrophobicContact CD2-CG2 3.5Å; L337-I652 HydrophobicContact CB-CD1 4.35Å; P339-I652 HydrophobicContact CG-CG1 4.2Å; Y621-I652 HydrophobicContact CD1-CG1 4.11Å; Y621-I652 HydrophobicContact CE1-CG1 4.29Å; S648-I652 WeakPolarHBondContact O-CG1 3.29Å; S648-I652 PolarHBondContact O-N 3.44Å; S648-I652 VanDerWaalsContact O-N 3.08Å; L649-I652 HydrophobicContact CD2-CD1 4.48Å; L649-I652 PolarHBondContact O-N 3.38Å; I652-E655 PolarHBondContact O-N 3.42Å; I652-M656 HydrophobicContact CG2-CG 4.42Å; I652-M656 HydrophobicContact CG2-SD 4Å; I652-M656 VanDerWaalsContact O-CG 3.31Å; I652-M656 WeakPolarHBondContact O-CG 3.5Å; I652-M656 PolarHBondContact O-N 2.92Å
653F95.2Very high90.7Very high1 Ų121 Ų210%0.00410%0.098CC..Hα-helixtrans-71-35.9-179.1-74.15.9000112M317 I320 V321 L649 G650 V651 M656 L657 V731 M734M317-F653 HydrophobicContact CB-CE1 4.15Å; M317-F653 HydrophobicContact CB-CE2 4.07Å; M317-F653 HydrophobicContact CB-CZ 3.73Å; M317-F653 HydrophobicContact CE-CB 3.75Å; M317-F653 HydrophobicContact CE-CD1 4.06Å; M317-F653 HydrophobicContact CE-CD2 4.14Å; M317-F653 HydrophobicContact CE-CG 3.73Å; M317-F653 HydrophobicContact CG-CD1 3.99Å; M317-F653 HydrophobicContact CG-CD2 4.24Å; M317-F653 HydrophobicContact CG-CE1 3.74Å; M317-F653 HydrophobicContact CG-CE2 4Å; M317-F653 HydrophobicContact CG-CG 4.24Å; M317-F653 HydrophobicContact CG-CZ 3.74Å; M317-F653 HydrophobicContact SD-CD2 4.13Å; M317-F653 HydrophobicContact SD-CE2 4.31Å; M317-F653 HydrophobicContact SD-CG 4.27Å; I320-F653 HydrophobicContact CB-CE1 4.25Å; I320-F653 HydrophobicContact CB-CZ 4.41Å; I320-F653 HydrophobicContact CD1-CE1 4.04Å; I320-F653 HydrophobicContact CG2-CE1 4.07Å; I320-F653 HydrophobicContact CG2-CZ 4.34Å; V321-F653 HydrophobicContact CG2-CE2 3.69Å; V321-F653 HydrophobicContact CG2-CZ 3.47Å; V321-F653 VanDerWaalsContact CG2-CZ 3.47Å; L649-F653 VanDerWaalsContact O-CB 3.31Å; L649-F653 WeakPolarHBondContact O-CB 3.14Å; L649-F653 WeakPolarHBondContact O-CD1 3.5Å; L649-F653 VanDerWaalsContact O-CG 3.29Å; L649-F653 WeakPolarHBondContact O-CG 3.25Å; L649-F653 PolarHBondContact O-N 3.24Å; G650-F653 PolarHBondContact O-N 2.97Å; V651-F653 VanDerWaalsContact C-N 3.31Å; V651-F653 PolarHBondContact O-N 2.73Å; F653-M656 HydrophobicContact CD1-SD 3.85Å; F653-M656 HydrophobicContact CE1-SD 4.16Å; F653-M656 PolarHBondContact O-N 3.25Å; F653-L657 WeakPolarHBondContact O-CG 3.35Å; F653-L657 PolarHBondContact O-N 2.68Å; F653-V731 HydrophobicContact CB-CG2 3.63Å; F653-M734 HydrophobicContact CD2-CE 3.79Å; F653-M734 HydrophobicContact CD2-SD 4.03Å; F653-M734 HydrophobicContact CE2-CE 4.02Å; F653-M734 HydrophobicContact CE2-SD 4.44Å
654F93.5Very high90.2Very high2 Ų224 Ų241%0.00912%0.121CC..Hα-helixtrans-56.3-49.8168.8-176.6-89.7000111.2G650 V651 M656 L657 H658 L666 Y669 F716 P717 M720 V731G650-F654 WeakPolarHBondContact O-CB 3.43Å; G650-F654 PolarHBondContact O-N 2.9Å; V651-F654 WeakPolarHBondContact O-CB 3.23Å; V651-F654 PolarHBondContact O-N 3.22Å; F654-M656 VanDerWaalsContact C-N 3.34Å; F654-M656 PolarHBondContact O-N 2.96Å; F654-L657 PolarHBondContact O-N 3.03Å; F654-H658 PolarHBondContact O-N 3.45Å; F654-L666 HydrophobicContact CD1-CD1 3.53Å; F654-L666 HydrophobicContact CE1-CD1 3.88Å; F654-Y669 AromaticContact CE1-CD2 3.9Å; F654-Y669 HydrophobicContact CE1-CD2 3.9Å; F654-Y669 HydrophobicContact CE1-CG 4.19Å; F654-Y669 HydrophobicContact CZ-CD1 4.23Å; F654-Y669 AromaticContact CZ-CD2 3.67Å; F654-Y669 HydrophobicContact CZ-CD2 3.67Å; F654-Y669 HydrophobicContact CZ-CE2 4.31Å; F654-Y669 AromaticContact CZ-CG 3.64Å; F654-Y669 HydrophobicContact CZ-CG 3.64Å; F654-F716 HydrophobicContact CD2-CD1 4.26Å; F654-F716 HydrophobicContact CD2-CE1 4.06Å; F654-F716 HydrophobicContact CD2-CZ 4.35Å; F654-F716 AromaticContact CE2-CD1 3.77Å; F654-F716 HydrophobicContact CE2-CD1 3.77Å; F654-F716 AromaticContact CE2-CE1 4Å; F654-F716 HydrophobicContact CE2-CE1 4Å; F654-F716 HydrophobicContact CE2-CG 4.26Å; F654-P717 HydrophobicContact CZ-CG 4.42Å; F654-M720 HydrophobicContact CD2-CE 3.92Å; F654-M720 HydrophobicContact CD2-SD 3.82Å; F654-M720 HydrophobicContact CE2-CE 4.37Å; F654-M720 HydrophobicContact CE2-SD 3.77Å; F654-V731 HydrophobicContact CB-CG1 3.99Å; F654-V731 HydrophobicContact CD2-CG1 4.35Å
655E91.5Very high89.9Confident20 Ų2026.7 Ų26.79%0.09313%0.133CC..Hα-helixtrans-63.2-34.8175.9-76.4-168.4-109.400113.4L280 R283 Y621 V651 I652 L657 H658 L666L280-E655 HydrophobicContact CD1-CB 4.14Å; L280-E655 HydrophobicContact CD2-CB 4.29Å; R283-E655 PolarHBondContact NH1-O 2.88Å; R283-E655 PolarHBondContact NH2-O 3.32Å; Y621-E655 VanDerWaalsContact CE1-OE1 3.29Å; Y621-E655 WeakPolarHBondContact CE1-OE1 3.19Å; Y621-E655 PolarHBondContact OH-OE1 2.97Å; V651-E655 PolarHBondContact O-N 3Å; V651-E655 VanDerWaalsContact O-N 3.07Å; I652-E655 PolarHBondContact O-N 3.42Å; E655-L657 VanDerWaalsContact C-N 3.34Å; E655-H658 VanDerWaalsContact O-O 3.05Å; E655-L666 HydrophobicContact CG-CD1 3.87Å; E655-L666 HydrophobicContact CG-CD2 3.83Å; E655-L666 HydrophobicContact CG-CG 4.45Å; E655-L666 VanDerWaalsContact OE1-CD2 3.27Å; E655-L666 WeakPolarHBondContact OE1-CD2 3.47Å
656M90.8Very high89.6Confident0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-67-33.3175.7-73175.270.200112.6L276 W279 L280 R283 V313 L316 M317 I320 I652 F653 F654L276-M656 HydrophobicContact CD1-CG 4.42Å; L276-M656 HydrophobicContact CD1-SD 4.42Å; L276-M656 HydrophobicContact CD2-CG 4.23Å; L276-M656 HydrophobicContact CD2-SD 3.9Å; W279-M656 HydrophobicContact CZ3-CG 4.3Å; L280-M656 HydrophobicContact CD2-CG 4.43Å; R283-M656 PolarHBondContact NH1-O 2.66Å; V313-M656 HydrophobicContact CG1-CB 4.49Å; V313-M656 HydrophobicContact CG1-CE 4.31Å; L316-M656 HydrophobicContact CB-CE 3.61Å; L316-M656 HydrophobicContact CD1-CE 4.07Å; M317-M656 HydrophobicContact CE-CB 4.06Å; M317-M656 HydrophobicContact CG-CE 3.96Å; M317-M656 HydrophobicContact CG-SD 4.45Å; I320-M656 HydrophobicContact CD1-CE 4.16Å; I320-M656 HydrophobicContact CD1-SD 3.88Å; I652-M656 HydrophobicContact CG2-CG 4.42Å; I652-M656 HydrophobicContact CG2-SD 4Å; I652-M656 VanDerWaalsContact O-CG 3.31Å; I652-M656 WeakPolarHBondContact O-CG 3.5Å; I652-M656 PolarHBondContact O-N 2.92Å; F653-M656 HydrophobicContact CD1-SD 3.85Å; F653-M656 HydrophobicContact CE1-SD 4.16Å; F653-M656 PolarHBondContact O-N 3.25Å; F654-M656 VanDerWaalsContact C-N 3.34Å; F654-M656 PolarHBondContact O-N 2.96Å
657L89.1Confident89.1Confident5 Ų528 Ų283%0.02614%0.14CC..Hα-helixtrans-88.2-30.4-178.9-61.6168.8000113.2V313 M317 F653 F654 E655 M720 W724 E727 V731V313-L657 HydrophobicContact CG1-CD2 4.14Å; M317-L657 HydrophobicContact CE-CD1 3.98Å; M317-L657 HydrophobicContact CE-CD2 3.68Å; M317-L657 HydrophobicContact CE-CG 3.63Å; F653-L657 WeakPolarHBondContact O-CG 3.35Å; F653-L657 PolarHBondContact O-N 2.68Å; F654-L657 PolarHBondContact O-N 3.03Å; E655-L657 VanDerWaalsContact C-N 3.34Å; L657-M720 HydrophobicContact CB-CE 4.07Å; L657-M720 HydrophobicContact CB-CG 4.22Å; L657-M720 HydrophobicContact CB-SD 4.17Å; L657-M720 HydrophobicContact CD1-CE 3.75Å; L657-W724 HydrophobicContact CB-CG 4.46Å; L657-W724 HydrophobicContact CD2-CB 4.17Å; L657-W724 HydrophobicContact CD2-CD2 3.4Å; L657-W724 VanDerWaalsContact CD2-CD2 3.4Å; L657-W724 HydrophobicContact CD2-CE3 3.62Å; L657-W724 HydrophobicContact CD2-CG 3.69Å; L657-W724 HydrophobicContact CD2-CH2 4.07Å; L657-W724 HydrophobicContact CD2-CZ2 3.96Å; L657-W724 HydrophobicContact CD2-CZ3 3.94Å; L657-W724 PolarHBondContact O-NE1 3.45Å; L657-E727 HydrophobicContact CD1-CB 3.76Å; L657-E727 HydrophobicContact CD2-CB 4.09Å; L657-V731 HydrophobicContact CD1-CG2 3.88Å
658H87.2Confident88.7Confident26 Ų2631 Ų3112%0.1216%0.158CC..SBendtrans-127.1124.4-177.5-171.566.5000113F654 E655 C660 M720F654-H658 PolarHBondContact O-N 3.45Å; E655-H658 VanDerWaalsContact O-O 3.05Å; H658-C660 PolarHBondContact O-N 3.02Å; H658-C660 VanDerWaalsContact O-N 3.11Å; H658-M720 HydrophobicContact CB-CB 4.45Å; H658-M720 HydrophobicContact CB-SD 3.91Å
659P84.9Confident88.3Confident23 Ų2333.6 Ų33.615%0.14917%0.168CC..  trans-73.9101.1177.130.3-33.8000112.1N284N284-P659 WeakPolarHBondContact OD1-CB 3.03Å
660C83Confident87.8Confident7 Ų733.8 Ų33.85%0.04717%0.169CC..  trans-85117167.1-580000109.7N284 H658 E665 L666N284-C660 PolarHBondContact ND2-O 3Å; H658-C660 PolarHBondContact O-N 3.02Å; H658-C660 VanDerWaalsContact O-N 3.11Å; C660-E665 HydrophobicContact CB-CB 4.35Å; C660-L666 HydrophobicContact CB-CB 4.3Å
661F79.5Confident87.1Confident112 Ų11235.3 Ų35.349%0.49118%0.176SC..SBendtrans-75.8-31.3-179.3-61.1-84.8000112.1N284 H287 E665N284-F661 WeakPolarHBondContact O-CE1 3.32Å; H287-F661 HydrophobicContact CB-CE1 3.78Å; H287-F661 HydrophobicContact CB-CZ 3.97Å; F661-E665 PolarHBondContact N-OE2 2.85Å
662T82.4Confident86.6Confident67 Ų6739.8 Ų39.841%0.41120%0.197SC..SBendtrans-121.6152.7174.967.50000111.8S664 E665T662-S664 PolarHBondContact O-N 3.03Å; T662-E665 WeakPolarHBondContact CB-OE1 3.15Å; T662-E665 WeakPolarHBondContact CG2-OE1 3.49Å; T662-E665 PolarHBondContact N-OE1 2.97Å; T662-E665 PolarHBondContact O-N 3.37Å; T662-E665 VanDerWaalsContact OG1-CD 3.26Å; T662-E665 WeakPolarHBondContact OG1-CG 3.2Å; T662-E665 PolarHBondContact OG1-N 3.18Å; T662-E665 PolarHBondContact OG1-OE1 2.71Å
663R82Confident86.2Confident152 Ų15239.9 Ų39.957%0.57420%0.198SC*.Hα-helixtrans-60.4-29.5169-72.7-179.2175150.6-3.9111.8L666 I667R663-L666 PolarHBondContact O-N 2.76Å; R663-I667 WeakPolarHBondContact O-CD1 3.4Å; R663-I667 VanDerWaalsContact O-CG1 3.28Å; R663-I667 WeakPolarHBondContact O-CG1 3.46Å; R663-I667 PolarHBondContact O-N 2.99Å
664S81.6Confident85.5Confident79 Ų7940 Ų4055%0.55220%0.198SC*.Hα-helixtrans-64.3-37177.7-50.60000112.7T662 T668T662-S664 PolarHBondContact O-N 3.03Å; S664-T668 WeakPolarHBondContact O-CB 3.47Å; S664-T668 PolarHBondContact O-N 2.89Å; S664-T668 PolarHBondContact O-OG1 2.76Å
665E85.6Confident84.7Confident61 Ų6142.4 Ų42.429%0.28521%0.211SC..Hα-helixtrans-61.5-49.6172.4-73.8146.4-122.300111.3C660 F661 T662 I667 T668 Y669C660-E665 HydrophobicContact CB-CB 4.35Å; F661-E665 PolarHBondContact N-OE2 2.85Å; T662-E665 WeakPolarHBondContact CB-OE1 3.15Å; T662-E665 WeakPolarHBondContact CG2-OE1 3.49Å; T662-E665 PolarHBondContact N-OE1 2.97Å; T662-E665 PolarHBondContact O-N 3.37Å; T662-E665 VanDerWaalsContact OG1-CD 3.26Å; T662-E665 WeakPolarHBondContact OG1-CG 3.2Å; T662-E665 PolarHBondContact OG1-N 3.18Å; T662-E665 PolarHBondContact OG1-OE1 2.71Å; E665-I667 PolarHBondContact O-N 3.1Å; E665-T668 WeakPolarHBondContact O-CB 3.46Å; E665-T668 PolarHBondContact O-N 2.88Å; E665-T668 VanDerWaalsContact O-N 3.11Å; E665-Y669 WeakPolarHBondContact O-CD2 3.36Å; E665-Y669 PolarHBondContact O-N 3.32Å
666L87.5Confident84.1Confident4 Ų441.8 Ų41.82%0.02121%0.209CC..Hα-helixtrans-58.7-48.2177.7178.465.8000111.6I620 V651 F654 E655 C660 R663 T668 Y669 L670I620-L666 HydrophobicContact CG2-CD2 4.04Å; I620-L666 HydrophobicContact CG2-CG 4.49Å; V651-L666 HydrophobicContact CG1-CD1 4.38Å; V651-L666 HydrophobicContact CG1-CD2 4.23Å; F654-L666 HydrophobicContact CD1-CD1 3.53Å; F654-L666 HydrophobicContact CE1-CD1 3.88Å; E655-L666 HydrophobicContact CG-CD1 3.87Å; E655-L666 HydrophobicContact CG-CD2 3.83Å; E655-L666 HydrophobicContact CG-CG 4.45Å; E655-L666 VanDerWaalsContact OE1-CD2 3.27Å; E655-L666 WeakPolarHBondContact OE1-CD2 3.47Å; C660-L666 HydrophobicContact CB-CB 4.3Å; R663-L666 PolarHBondContact O-N 2.76Å; L666-T668 VanDerWaalsContact C-N 3.26Å; L666-T668 PolarHBondContact O-N 3.42Å; L666-Y669 PolarHBondContact O-N 3.08Å; L666-L670 HydrophobicContact CD1-CD1 4.32Å; L666-L670 HydrophobicContact CD1-CG 4.44Å; L666-L670 HydrophobicContact CG-CD1 4.09Å; L666-L670 WeakPolarHBondContact O-CG 3.45Å; L666-L670 PolarHBondContact O-N 3.25Å
667I85.3Confident83.3Confident22 Ų2242 Ų4211%0.11321%0.21CC..Hα-helixtrans-57.6-42.3175.7-69.3162.3000110.3L612 T613 I620 R663 E665 Y669 L670 E671L612-I667 HydrophobicContact CB-CG2 4.16Å; T613-I667 HydrophobicContact CG2-CG2 4.44Å; I620-I667 HydrophobicContact CD1-CD1 3.92Å; I620-I667 HydrophobicContact CD1-CG1 4.03Å; I620-I667 HydrophobicContact CG1-CD1 4.45Å; I620-I667 HydrophobicContact CG1-CG1 4.32Å; R663-I667 WeakPolarHBondContact O-CD1 3.4Å; R663-I667 VanDerWaalsContact O-CG1 3.28Å; R663-I667 WeakPolarHBondContact O-CG1 3.46Å; R663-I667 PolarHBondContact O-N 2.99Å; E665-I667 PolarHBondContact O-N 3.1Å; I667-Y669 PolarHBondContact O-N 2.67Å; I667-L670 PolarHBondContact O-N 2.7Å; I667-E671 HydrophobicContact CG2-CG 4.03Å; I667-E671 WeakPolarHBondContact O-CB 3.43Å; I667-E671 WeakPolarHBondContact O-CG 3.22Å; I667-E671 PolarHBondContact O-N 3.42Å
668T86.2Confident82.4Confident65 Ų6543.3 Ų43.340%0.39922%0.22SC..Hα-helixtrans-60.7-44.7179-59.30000112S664 E665 L666 Q672S664-T668 WeakPolarHBondContact O-CB 3.47Å; S664-T668 PolarHBondContact O-N 2.89Å; S664-T668 PolarHBondContact O-OG1 2.76Å; E665-T668 WeakPolarHBondContact O-CB 3.46Å; E665-T668 PolarHBondContact O-N 2.88Å; E665-T668 VanDerWaalsContact O-N 3.11Å; L666-T668 VanDerWaalsContact C-N 3.26Å; L666-T668 PolarHBondContact O-N 3.42Å; T668-Q672 VanDerWaalsContact O-CG 3.28Å; T668-Q672 WeakPolarHBondContact O-CG 3.47Å; T668-Q672 PolarHBondContact O-N 2.81Å
669Y87.2Confident81.3Confident60 Ų6045.9 Ų45.924%0.23524%0.235CC..Hα-helixtrans-64.1-43.9175.2-73.4-65.4000112.1F654 E665 L666 I667 Q672 F673 P717F654-Y669 AromaticContact CE1-CD2 3.9Å; F654-Y669 HydrophobicContact CE1-CD2 3.9Å; F654-Y669 HydrophobicContact CE1-CG 4.19Å; F654-Y669 HydrophobicContact CZ-CD1 4.23Å; F654-Y669 AromaticContact CZ-CD2 3.67Å; F654-Y669 HydrophobicContact CZ-CD2 3.67Å; F654-Y669 HydrophobicContact CZ-CE2 4.31Å; F654-Y669 AromaticContact CZ-CG 3.64Å; F654-Y669 HydrophobicContact CZ-CG 3.64Å; E665-Y669 WeakPolarHBondContact O-CD2 3.36Å; E665-Y669 PolarHBondContact O-N 3.32Å; L666-Y669 PolarHBondContact O-N 3.08Å; I667-Y669 PolarHBondContact O-N 2.67Å; Y669-Q672 PolarHBondContact O-N 3.14Å; Y669-F673 WeakPolarHBondContact O-CB 3.33Å; Y669-F673 PolarHBondContact O-N 3.34Å; Y669-P717 HydrophobicContact CE1-CG 3.89Å; Y669-P717 HydrophobicContact CE2-CG 4.33Å
670L85.9Confident80.1Confident4 Ų445.1 Ų45.12%0.02123%0.229CC..Hα-helixtrans-65.1-42.2178.2-66.3174.4000111.8I620 V651 L666 I667 F673 I674 L735I620-L670 HydrophobicContact CG2-CD1 3.69Å; V651-L670 HydrophobicContact CG1-CD1 4.03Å; V651-L670 HydrophobicContact CG2-CD1 4.26Å; V651-L670 HydrophobicContact CG2-CD2 4.06Å; L666-L670 HydrophobicContact CD1-CD1 4.32Å; L666-L670 HydrophobicContact CD1-CG 4.44Å; L666-L670 HydrophobicContact CG-CD1 4.09Å; L666-L670 WeakPolarHBondContact O-CG 3.45Å; L666-L670 PolarHBondContact O-N 3.25Å; I667-L670 PolarHBondContact O-N 2.7Å; L670-F673 PolarHBondContact O-N 2.84Å; L670-I674 WeakPolarHBondContact O-CB 3.26Å; L670-I674 WeakPolarHBondContact O-CD1 3.3Å; L670-I674 WeakPolarHBondContact O-CG1 3.36Å; L670-I674 PolarHBondContact O-N 2.85Å; L670-L735 HydrophobicContact CD2-CD1 4.1Å; L670-L735 HydrophobicContact CD2-CD2 4.22Å
671E81.9Confident78.7Confident32 Ų3247.7 Ų47.715%0.1524%0.243CC..Hα-helixtrans-61.8-44.2175.2-76.2-173.8162.700111.8L609 L612 I667 I674 N675L609-E671 HydrophobicContact CD2-CG 4.38Å; L609-E671 HydrophobicContact CG-CG 4.04Å; L609-E671 WeakPolarHBondContact CG-OE1 3.47Å; L612-E671 HydrophobicContact CD1-CG 3.81Å; I667-E671 HydrophobicContact CG2-CG 4.03Å; I667-E671 WeakPolarHBondContact O-CB 3.43Å; I667-E671 WeakPolarHBondContact O-CG 3.22Å; I667-E671 PolarHBondContact O-N 3.42Å; E671-I674 PolarHBondContact O-N 2.89Å; E671-N675 VanDerWaalsContact O-CB 3.28Å; E671-N675 WeakPolarHBondContact O-CB 3.31Å; E671-N675 PolarHBondContact O-N 3.2Å; E671-N675 PolarHBondContact O-ND2 2.93Å
672Q84.1Confident77Confident93 Ų9349 Ų4944%0.43525%0.245SC..Hα-helixtrans-60.2-45.8174.2-71.5175.925.500111.3T668 Y669 I674 N675 A676 I715T668-Q672 VanDerWaalsContact O-CG 3.28Å; T668-Q672 WeakPolarHBondContact O-CG 3.47Å; T668-Q672 PolarHBondContact O-N 2.81Å; Y669-Q672 PolarHBondContact O-N 3.14Å; Q672-I674 PolarHBondContact O-N 2.76Å; Q672-N675 PolarHBondContact O-N 3.08Å; Q672-A676 WeakPolarHBondContact O-CB 3.48Å; Q672-A676 PolarHBondContact O-N 2.81Å; Q672-I715 HydrophobicContact CB-CG2 3.59Å
673F85Confident75Confident3 Ų350.4 Ų50.41%0.01324%0.243CC..Hα-helixtrans-62.1-43.1178.7-163.1-83.3000112.7Y669 L670 S677 L712 I715 F716 A732 L735Y669-F673 WeakPolarHBondContact O-CB 3.33Å; Y669-F673 PolarHBondContact O-N 3.34Å; L670-F673 PolarHBondContact O-N 2.84Å; F673-S677 WeakPolarHBondContact O-CB 3.43Å; F673-S677 PolarHBondContact O-N 2.85Å; F673-S677 PolarHBondContact O-OG 3.49Å; F673-L712 HydrophobicContact CD1-CD2 4.42Å; F673-L712 HydrophobicContact CD2-CD2 4.29Å; F673-L712 HydrophobicContact CE1-CD1 4.37Å; F673-L712 HydrophobicContact CE1-CD2 4.17Å; F673-L712 HydrophobicContact CE2-CB 3.77Å; F673-L712 HydrophobicContact CE2-CD2 4.07Å; F673-L712 HydrophobicContact CE2-CG 4.33Å; F673-L712 HydrophobicContact CG-CD2 4.47Å; F673-L712 HydrophobicContact CZ-CB 4Å; F673-L712 HydrophobicContact CZ-CD1 3.92Å; F673-L712 HydrophobicContact CZ-CD2 4Å; F673-L712 HydrophobicContact CZ-CG 4.19Å; F673-I715 HydrophobicContact CD2-CD1 4.3Å; F673-F716 HydrophobicContact CD2-CD1 4.36Å; F673-F716 AromaticContact CD2-CE1 3.51Å; F673-F716 HydrophobicContact CD2-CE1 3.51Å; F673-F716 AromaticContact CD2-CZ 3.97Å; F673-F716 HydrophobicContact CD2-CZ 3.97Å; F673-F716 AromaticContact CE2-CE1 3.71Å; F673-F716 HydrophobicContact CE2-CE1 3.71Å; F673-F716 AromaticContact CE2-CZ 3.66Å; F673-F716 HydrophobicContact CE2-CZ 3.66Å; F673-A732 HydrophobicContact CE2-CB 4.19Å; F673-A732 HydrophobicContact CZ-CB 4.26Å; F673-A732 WeakPolarHBondContact CZ-O 3.39Å; F673-L735 HydrophobicContact CD1-CB 4.03Å; F673-L735 HydrophobicContact CE1-CB 3.6Å; F673-L735 WeakPolarHBondContact CE1-O 3.31Å; F673-L735 HydrophobicContact CZ-CB 3.94Å
674I81Confident73.3Confident3 Ų346.5 Ų46.52%0.01523%0.233CC..Hα-helixtrans-65.3-45.5176.3-69.9164.4000110.6I608 L612 L670 E671 Q672 S677 S678 L737I608-I674 HydrophobicContact CD1-CG2 4.37Å; I608-I674 HydrophobicContact CG2-CD1 4.09Å; I608-I674 HydrophobicContact CG2-CG2 4.06Å; L612-I674 HydrophobicContact CD1-CD1 3.67Å; L670-I674 WeakPolarHBondContact O-CB 3.26Å; L670-I674 WeakPolarHBondContact O-CD1 3.3Å; L670-I674 WeakPolarHBondContact O-CG1 3.36Å; L670-I674 PolarHBondContact O-N 2.85Å; E671-I674 PolarHBondContact O-N 2.89Å; Q672-I674 PolarHBondContact O-N 2.76Å; I674-S677 PolarHBondContact O-N 3.13Å; I674-S678 WeakPolarHBondContact O-CB 3.44Å; I674-S678 PolarHBondContact O-N 3.45Å; I674-L737 HydrophobicContact CG1-CD2 4.19Å; I674-L737 HydrophobicContact CG2-CD1 4.26Å
675N77.6Confident71.3Confident53 Ų5349 Ų4928%0.28324%0.238SC..Hα-helixtrans-62.9-47179.1-74.9-37.4000111.3E671 Q672 S678 L679E671-N675 VanDerWaalsContact O-CB 3.28Å; E671-N675 WeakPolarHBondContact O-CB 3.31Å; E671-N675 PolarHBondContact O-N 3.2Å; E671-N675 PolarHBondContact O-ND2 2.93Å; Q672-N675 PolarHBondContact O-N 3.08Å; N675-S678 PolarHBondContact O-N 2.87Å; N675-S678 VanDerWaalsContact O-N 3.15Å; N675-S678 PolarHBondContact O-OG 2.89Å; N675-L679 PolarHBondContact O-N 2.84Å
676A77.7Confident69.3Low6 Ų650.1 Ų50.15%0.0525%0.246CC..Hα-helixtrans-61-46.2175.100000112.5Q672 S678 L679 T680 Y711 L712 I715Q672-A676 WeakPolarHBondContact O-CB 3.48Å; Q672-A676 PolarHBondContact O-N 2.81Å; A676-S678 PolarHBondContact O-N 2.84Å; A676-L679 WeakPolarHBondContact O-CB 3.39Å; A676-L679 PolarHBondContact O-N 2.89Å; A676-L679 VanDerWaalsContact O-N 3.08Å; A676-T680 PolarHBondContact O-N 2.89Å; A676-Y711 HydrophobicContact CB-CD1 4.29Å; A676-Y711 HydrophobicContact CB-CE1 3.63Å; A676-L712 HydrophobicContact CB-CD2 4.02Å; A676-I715 HydrophobicContact CB-CD1 3.28Å; A676-I715 HydrophobicContact CB-CG1 4.46Å
677S74.3Confident67.2Low4 Ų454.3 Ų54.33%0.02827%0.268CS..Hα-helixtrans-61.6-26174.7-64.20000113.2F673 I674 T680 L712 L737F673-S677 WeakPolarHBondContact O-CB 3.43Å; F673-S677 PolarHBondContact O-N 2.85Å; F673-S677 PolarHBondContact O-OG 3.49Å; I674-S677 PolarHBondContact O-N 3.13Å; S677-T680 PolarHBondContact O-OG1 2.95Å; S677-T680 VanDerWaalsContact O-OG1 3.08Å; S677-L712 VanDerWaalsContact OG-CD2 3.27Å; S677-L712 WeakPolarHBondContact OG-CD2 3.41Å; S677-L737 VanDerWaalsContact CB-CD1 3.43Å
678S70Confident65.3Low33 Ų3360.6 Ų60.623%0.23130%0.297CS..Hα-helixtrans-80.5-30.5174.380.60000112.9T605 I674 N675 A676 N681T605-S678 WeakPolarHBondContact CG2-OG 3.48Å; I674-S678 WeakPolarHBondContact O-CB 3.44Å; I674-S678 PolarHBondContact O-N 3.45Å; N675-S678 PolarHBondContact O-N 2.87Å; N675-S678 VanDerWaalsContact O-N 3.15Å; N675-S678 PolarHBondContact O-OG 2.89Å; A676-S678 PolarHBondContact O-N 2.84Å; S678-N681 PolarHBondContact O-N 3.1Å
679L64.1Low63Low81 Ų8164.3 Ų64.342%0.42432%0.315SS..Hα-helixtrans-69.3-35.4-179.3-119.776.2000112.7N675 A676 N681 Y682 R683N675-L679 PolarHBondContact O-N 2.84Å; A676-L679 WeakPolarHBondContact O-CB 3.39Å; A676-L679 PolarHBondContact O-N 2.89Å; A676-L679 VanDerWaalsContact O-N 3.08Å; L679-N681 VanDerWaalsContact C-N 3.26Å; L679-N681 PolarHBondContact O-N 3.14Å; L679-Y682 PolarHBondContact O-N 2.72Å; L679-R683 PolarHBondContact O-N 2.97Å
680T60.6Low60.6Low6 Ų667.2 Ų67.24%0.03733%0.333CS..Hα-helixtrans-63.6-32.4178.154.90000112A676 S677 N684 I702 I708 Y711A676-T680 PolarHBondContact O-N 2.89Å; S677-T680 PolarHBondContact O-OG1 2.95Å; S677-T680 VanDerWaalsContact O-OG1 3.08Å; T680-N684 PolarHBondContact O-N 3.46Å; T680-I702 HydrophobicContact CG2-CG2 4.22Å; T680-I708 HydrophobicContact CG2-CG1 4.19Å; T680-I708 HydrophobicContact CG2-CG2 4.25Å; T680-Y711 HydrophobicContact CG2-CD1 4.32Å
681N53Low58Low61 Ų6172.1 Ų72.133%0.32637%0.368SS..Hα-helixtrans-65.4-39173.7-67.6-26.5000112.9S678 L679 M685 H738S678-N681 PolarHBondContact O-N 3.1Å; L679-N681 VanDerWaalsContact C-N 3.26Å; L679-N681 PolarHBondContact O-N 3.14Å; N681-M685 WeakPolarHBondContact O-CG 3.48Å; N681-M685 PolarHBondContact O-N 3.2Å; N681-H738 PolarHBondContact OD1-CE1 3.47Å; N681-H738 PolarHBondContact OD1-NE2 2.97Å
682Y43.2Very low55.7Low140 Ų14077.1 Ų77.155%0.54940%0.396SS..Hα-helixtrans-72.5-36.5-177.1-131-81.5000112.3L679 M685 N686L679-Y682 PolarHBondContact O-N 2.72Å; Y682-M685 PolarHBondContact O-N 2.67Å; Y682-N686 PolarHBondContact O-N 3.26Å
683R41.3Very low53.3Low96 Ų9679.8 Ų79.836%0.36241%0.413SS..Hα-helixtrans-67.5-38.2174.7-75.1-176.3170.7158.4-1.7112.5L679 N687L679-R683 PolarHBondContact O-N 2.97Å; R683-N687 WeakPolarHBondContact O-CB 3.24Å; R683-N687 PolarHBondContact O-N 3.21Å
684N46.6Very low50.8Low70 Ų7086 Ų8637%0.37445%0.451SS..Hα-helixtrans-67.9-32.6176.3-73.3-9.8000113T680T680-N684 PolarHBondContact O-N 3.46Å
685M39.3Very low48.6Very low133 Ų13392.6 Ų92.666%0.65549%0.491SS*.Hα-helixtrans-77.9-39.2177-74.9-71.8172.200113.5N681 Y682N681-M685 WeakPolarHBondContact O-CG 3.48Å; N681-M685 PolarHBondContact O-N 3.2Å; Y682-M685 PolarHBondContact O-N 2.67Å
686N43.3Very low46.3Very low83 Ų8397.6 Ų97.644%0.44452%0.518SS..Hα-helixtrans-74.6-34.9-178-76.41.7000112.9Y682 Q688 N689Y682-N686 PolarHBondContact O-N 3.26Å; N686-Q688 VanDerWaalsContact C-N 3.27Å; N686-Q688 PolarHBondContact O-N 3.47Å; N686-N689 PolarHBondContact O-N 3.03Å
687N43.3Very low44Very low92 Ų92106.1 Ų106.149%0.49256%0.557SS.*THydrogen-bonded Turntrans-76.6-7.5-177.7-75.421.4000114.2R683 N689R683-N687 WeakPolarHBondContact O-CB 3.24Å; R683-N687 PolarHBondContact O-N 3.21Å; N687-N689 VanDerWaalsContact C-N 3.25Å
688Q45.5Very low42Very low155 Ų155110 Ų11072%0.72458%0.583SS**THydrogen-bonded Turntrans-76.6-10.7168.2-74.8-171.2-22.200113.3N686N686-Q688 VanDerWaalsContact C-N 3.27Å; N686-Q688 PolarHBondContact O-N 3.47Å
689N37.4Very low40.1Very low143 Ų143116.7 Ų116.777%0.76562%0.616SS**SBendtrans-119.19.8-176.8-71.5-60000114.3N686 N687N686-N689 PolarHBondContact O-N 3.03Å; N687-N689 VanDerWaalsContact C-N 3.25Å
690I36.9Very low39Very low121 Ų121117.2 Ų117.262%0.62162%0.618SS**  trans-127.486.1178.7-54.6177.6000108.6
691S32.6Very low37.8Very low107 Ų107122.6 Ų122.675%0.74865%0.647SS**  trans-79.8129.1159.544.20000109.3
692N33.2Very low37.6Very low137 Ų137120.3 Ų120.373%0.73363%0.634SS**SBendtrans70.9148.3167.6-51.9-22.3000117.8
693D32.9Very low37.3Very low149 Ų149119.7 Ų119.780%0.79764%0.636SS**  trans74.699.7163.3-57.9-20.4000120.5
694V33.6Very low37.7Very low134 Ų134118 Ų11881%0.81264%0.637SS**  trans68.789.6142.4-166.80000118
695T33.3Very low38.2Very low141 Ų141121.5 Ų121.587%0.86565%0.649SS**  -154118.9122.837.90000111.2
696N30.6Very low39.1Very low157 Ų157121.8 Ų121.884%0.8465%0.648SS**  trans-75.5170.1169.8-88.7-43.8000112
697Q30.1Very low39.8Very low186 Ų186118 Ų11887%0.86963%0.629SS**SBendtrans78.555.3166-62172.1-27.100118.1
698C31.7Very low40.9Very low84 Ų84115.3 Ų115.357%0.56861%0.614SS**  trans-168.471.2134.9-1110000111.8I700C698-I700 PolarHBondContact O-N 3.38Å
699N29.2Very low42.2Very low174 Ų174109.3 Ų109.393%0.9359%0.587SS**  trans-74.272.3174.3-83.30.4000111.8
700I41.6Very low44Very low93 Ų93106.7 Ų106.748%0.47757%0.573SS.*  trans-91.7128.8154-56.4177.6000106C698 I702C698-I700 PolarHBondContact O-N 3.38Å; I700-I702 HydrophobicContact CB-CD1 4.17Å; I700-I702 HydrophobicContact CB-CG1 3.96Å; I700-I702 HydrophobicContact CG2-CD1 4.26Å; I700-I702 HydrophobicContact CG2-CG1 3.67Å; I700-I702 PolarHBondContact O-N 2.82Å
701N35.4Very low45.9Very low119 Ų119103.1 Ų103.164%0.63655%0.552SS**  trans-79.953.1-171.4-129.8-6.3000112.4H703 T704N701-H703 PolarHBondContact O-N 3.07Å; N701-T704 PolarHBondContact O-N 3.5Å; N701-T704 PolarHBondContact O-OG1 2.83Å; N701-T704 VanDerWaalsContact O-OG1 3.12Å
702I48.1Very low48.2Very low12 Ų1298.1 Ų98.16%0.06252%0.516CS..THydrogen-bonded Turntrans-61.2-14.3-175.4-58.7171000112T680 I700 T704 I708T680-I702 HydrophobicContact CG2-CG2 4.22Å; I700-I702 HydrophobicContact CB-CD1 4.17Å; I700-I702 HydrophobicContact CB-CG1 3.96Å; I700-I702 HydrophobicContact CG2-CD1 4.26Å; I700-I702 HydrophobicContact CG2-CG1 3.67Å; I700-I702 PolarHBondContact O-N 2.82Å; I702-T704 PolarHBondContact O-N 3.05Å; I702-I708 HydrophobicContact CG2-CG1 4.13Å; I702-I708 WeakPolarHBondContact O-CG1 3.23Å
703H37.3Very low50.7Low128 Ų12892.7 Ų92.759%0.59349%0.487SS*.THydrogen-bonded Turntrans-69-8.7175.1-61.9-59.7000114.5N701N701-H703 PolarHBondContact O-N 3.07Å
704T50.8Low53.1Low61 Ų6191.8 Ų91.837%0.37448%0.482SS..SBendtrans-104.7151176.365.50000112.1N701 I702 H706 G707 I708N701-T704 PolarHBondContact O-N 3.5Å; N701-T704 PolarHBondContact O-OG1 2.83Å; N701-T704 VanDerWaalsContact O-OG1 3.12Å; I702-T704 PolarHBondContact O-N 3.05Å; T704-H706 PolarHBondContact O-N 3.27Å; T704-H706 VanDerWaalsContact O-N 3.13Å; T704-G707 PolarHBondContact O-N 3.39Å; T704-G707 VanDerWaalsContact O-N 3.12Å; T704-G707 PolarHBondContact OG1-N 2.93Å; T704-I708 PolarHBondContact O-N 3.45Å
705K55.9Low55.6Low143 Ų14386.5 Ų86.562%0.62245%0.449SS*.Hα-helixtrans-53.5-31.1171.3-175.7179.6178.4-178.20112.4M709K705-M709 WeakPolarHBondContact O-CG 3.36Å
706H57.6Low58.2Low139 Ų13980.1 Ų80.164%0.64441%0.41SS*.Hα-helixtrans-70.5-54.6174.3-63.2103.8000111.4T704 I708 M709 D710T704-H706 PolarHBondContact O-N 3.27Å; T704-H706 VanDerWaalsContact O-N 3.13Å; H706-I708 PolarHBondContact O-N 3.31Å; H706-I708 VanDerWaalsContact O-N 3.11Å; H706-M709 CarbonylContact O-C 3.57Å; H706-M709 WeakPolarHBondContact O-CA 3.4Å; H706-M709 WeakPolarHBondContact O-CB 3.4Å; H706-M709 PolarHBondContact O-N 2.82Å; H706-D710 VanDerWaalsContact O-CG 3.28Å; H706-D710 PolarHBondContact O-N 3.47Å
707G58.3Low60.9Low4 Ų473.3 Ų73.34%0.04137%0.374CS..Hα-helixtrans-60.2-26.2-178.400000115.4T704 Y711T704-G707 PolarHBondContact O-N 3.39Å; T704-G707 VanDerWaalsContact O-N 3.12Å; T704-G707 PolarHBondContact OG1-N 2.93Å; G707-Y711 WeakPolarHBondContact O-CB 3.33Å; G707-Y711 PolarHBondContact O-N 2.94Å
708I67Low63.4Low34 Ų3473.4 Ų73.417%0.17437%0.366CS..Hα-helixtrans-69.6-44168.7-67.8175.6000111.3T680 I702 T704 H706 Y711 L712T680-I708 HydrophobicContact CG2-CG1 4.19Å; T680-I708 HydrophobicContact CG2-CG2 4.25Å; I702-I708 HydrophobicContact CG2-CG1 4.13Å; I702-I708 WeakPolarHBondContact O-CG1 3.23Å; T704-I708 PolarHBondContact O-N 3.45Å; H706-I708 PolarHBondContact O-N 3.31Å; H706-I708 VanDerWaalsContact O-N 3.11Å; I708-Y711 PolarHBondContact O-N 3.03Å; I708-L712 HydrophobicContact CG2-CD1 4.04Å; I708-L712 VanDerWaalsContact O-CG 3.28Å; I708-L712 WeakPolarHBondContact O-CG 3.49Å; I708-L712 PolarHBondContact O-N 3.18Å
709M73.4Confident65.7Low30 Ų3072.5 Ų72.515%0.14836%0.361CS..Hα-helixtrans-68.6-39.3179.2-68.5-68.1175.100111.6K705 H706 Y711 L712 L713 R733 N736K705-M709 WeakPolarHBondContact O-CG 3.36Å; H706-M709 CarbonylContact O-C 3.57Å; H706-M709 WeakPolarHBondContact O-CA 3.4Å; H706-M709 WeakPolarHBondContact O-CB 3.4Å; H706-M709 PolarHBondContact O-N 2.82Å; M709-Y711 VanDerWaalsContact C-N 3.35Å; M709-Y711 PolarHBondContact O-N 3.2Å; M709-L712 PolarHBondContact O-N 3.38Å; M709-L712 VanDerWaalsContact O-N 3.14Å; M709-L712 HydrophobicContact SD-CD1 4.47Å; M709-L713 WeakPolarHBondContact O-CB 3.45Å; M709-L713 VanDerWaalsContact O-CG 3.24Å; M709-L713 WeakPolarHBondContact O-CG 3.27Å; M709-L713 PolarHBondContact O-N 2.95Å; M709-R733 HydrophobicContact CE-CG 3.92Å; M709-R733 HydrophobicContact SD-CG 4.11Å; M709-N736 WeakPolarHBondContact CE-ND2 3.47Å
710D75.4Confident68.4Low88 Ų8864.3 Ų64.347%0.47132%0.317SS..Hα-helixtrans-58.8-47.5175.1-57.8-32.3000110.6H706 L712 L713 D714H706-D710 VanDerWaalsContact O-CG 3.28Å; H706-D710 PolarHBondContact O-N 3.47Å; D710-L712 VanDerWaalsContact C-N 3.29Å; D710-L712 PolarHBondContact O-N 3.08Å; D710-L713 PolarHBondContact O-N 3.16Å; D710-L713 VanDerWaalsContact O-N 3.16Å; D710-D714 PolarHBondContact O-N 3.06Å
711Y75.4Confident70.5Confident46 Ų4662 Ų6218%0.1831%0.306CS..Hα-helixtrans-64-30176.1-178.4-115.4000113.8A676 T680 G707 I708 M709A676-Y711 HydrophobicContact CB-CD1 4.29Å; A676-Y711 HydrophobicContact CB-CE1 3.63Å; T680-Y711 HydrophobicContact CG2-CD1 4.32Å; G707-Y711 WeakPolarHBondContact O-CB 3.33Å; G707-Y711 PolarHBondContact O-N 2.94Å; I708-Y711 PolarHBondContact O-N 3.03Å; M709-Y711 VanDerWaalsContact C-N 3.35Å; M709-Y711 PolarHBondContact O-N 3.2Å
712L81.1Confident72.5Confident1 Ų160.6 Ų60.61%0.00531%0.305CS..Hα-helixtrans-78.1-31.5174.1-71.2173.8000112.5F673 A676 S677 I708 M709 D710 I715F673-L712 HydrophobicContact CD1-CD2 4.42Å; F673-L712 HydrophobicContact CD2-CD2 4.29Å; F673-L712 HydrophobicContact CE1-CD1 4.37Å; F673-L712 HydrophobicContact CE1-CD2 4.17Å; F673-L712 HydrophobicContact CE2-CB 3.77Å; F673-L712 HydrophobicContact CE2-CD2 4.07Å; F673-L712 HydrophobicContact CE2-CG 4.33Å; F673-L712 HydrophobicContact CG-CD2 4.47Å; F673-L712 HydrophobicContact CZ-CB 4Å; F673-L712 HydrophobicContact CZ-CD1 3.92Å; F673-L712 HydrophobicContact CZ-CD2 4Å; F673-L712 HydrophobicContact CZ-CG 4.19Å; A676-L712 HydrophobicContact CB-CD2 4.02Å; S677-L712 VanDerWaalsContact OG-CD2 3.27Å; S677-L712 WeakPolarHBondContact OG-CD2 3.41Å; I708-L712 HydrophobicContact CG2-CD1 4.04Å; I708-L712 VanDerWaalsContact O-CG 3.28Å; I708-L712 WeakPolarHBondContact O-CG 3.49Å; I708-L712 PolarHBondContact O-N 3.18Å; M709-L712 PolarHBondContact O-N 3.38Å; M709-L712 VanDerWaalsContact O-N 3.14Å; M709-L712 HydrophobicContact SD-CD1 4.47Å; D710-L712 VanDerWaalsContact C-N 3.29Å; D710-L712 PolarHBondContact O-N 3.08Å; L712-I715 HydrophobicContact CD2-CD1 4.09Å; L712-I715 WeakPolarHBondContact O-CB 3.37Å; L712-I715 PolarHBondContact O-N 3.48Å
713L85.1Confident73.9Confident23 Ų2362.2 Ų62.212%0.1232%0.316CS..Hα-helixtrans-71-34.9176-73164.2000111.8M709 D710 I715 F716 L721 Q729 A732M709-L713 WeakPolarHBondContact O-CB 3.45Å; M709-L713 VanDerWaalsContact O-CG 3.24Å; M709-L713 WeakPolarHBondContact O-CG 3.27Å; M709-L713 PolarHBondContact O-N 2.95Å; D710-L713 PolarHBondContact O-N 3.16Å; D710-L713 VanDerWaalsContact O-N 3.16Å; L713-I715 PolarHBondContact O-N 3.05Å; L713-F716 HydrophobicContact CD2-CD2 4.22Å; L713-F716 PolarHBondContact O-N 3.37Å; L713-L721 HydrophobicContact CB-CD2 4.27Å; L713-L721 HydrophobicContact CD2-CD2 3.84Å; L713-L721 WeakPolarHBondContact O-CD1 3.4Å; L713-Q729 HydrophobicContact CD1-CG 3.97Å; L713-Q729 HydrophobicContact CD2-CG 4.29Å; L713-A732 HydrophobicContact CD2-CB 4.01Å; L713-A732 HydrophobicContact CG-CB 4.46Å
714D84Confident76.1Confident130 Ų13056.4 Ų56.470%0.69529%0.288SS*.THydrogen-bonded Turntrans-56.5-17.1174.9-83.6-21.2000114.1D710D710-D714 PolarHBondContact O-N 3.06Å
715I85.5Confident77.6Confident24 Ų2455.7 Ų55.712%0.12329%0.285CS..THydrogen-bonded Turntrans-81.6-27.4177.2-54.8168.9000111.5Q672 F673 A676 L712 L713Q672-I715 HydrophobicContact CB-CG2 3.59Å; F673-I715 HydrophobicContact CD2-CD1 4.3Å; A676-I715 HydrophobicContact CB-CD1 3.28Å; A676-I715 HydrophobicContact CB-CG1 4.46Å; L712-I715 HydrophobicContact CD2-CD1 4.09Å; L712-I715 WeakPolarHBondContact O-CB 3.37Å; L712-I715 PolarHBondContact O-N 3.48Å; L713-I715 PolarHBondContact O-N 3.05Å
716F88.4Confident78.9Confident7 Ų754.9 Ų54.93%0.03128%0.279CS..SBendtrans-76.5150.9-177.2-70.4-9.1000111.8F654 F673 L713 R718 M720 L721 S728 V731 A732 L735F654-F716 HydrophobicContact CD2-CD1 4.26Å; F654-F716 HydrophobicContact CD2-CE1 4.06Å; F654-F716 HydrophobicContact CD2-CZ 4.35Å; F654-F716 AromaticContact CE2-CD1 3.77Å; F654-F716 HydrophobicContact CE2-CD1 3.77Å; F654-F716 AromaticContact CE2-CE1 4Å; F654-F716 HydrophobicContact CE2-CE1 4Å; F654-F716 HydrophobicContact CE2-CG 4.26Å; F673-F716 HydrophobicContact CD2-CD1 4.36Å; F673-F716 AromaticContact CD2-CE1 3.51Å; F673-F716 HydrophobicContact CD2-CE1 3.51Å; F673-F716 AromaticContact CD2-CZ 3.97Å; F673-F716 HydrophobicContact CD2-CZ 3.97Å; F673-F716 AromaticContact CE2-CE1 3.71Å; F673-F716 HydrophobicContact CE2-CE1 3.71Å; F673-F716 AromaticContact CE2-CZ 3.66Å; F673-F716 HydrophobicContact CE2-CZ 3.66Å; L713-F716 HydrophobicContact CD2-CD2 4.22Å; L713-F716 PolarHBondContact O-N 3.37Å; F716-R718 PolarHBondContact O-N 3.42Å; F716-M720 HydrophobicContact CD2-CE 4.05Å; F716-M720 HydrophobicContact CE2-CE 4.27Å; F716-L721 HydrophobicContact CB-CD2 4.09Å; F716-L721 HydrophobicContact CB-CG 4.15Å; F716-L721 HydrophobicContact CD2-CD2 4.47Å; F716-S728 WeakPolarHBondContact CE2-O 3.38Å; F716-V731 HydrophobicContact CE2-CB 4.3Å; F716-V731 HydrophobicContact CE2-CG1 3.98Å; F716-V731 HydrophobicContact CZ-CG1 3.84Å; F716-A732 HydrophobicContact CE2-CB 3.83Å; F716-A732 HydrophobicContact CZ-CB 4.12Å; F716-L735 HydrophobicContact CE1-CD1 4.45Å; F716-L735 HydrophobicContact CZ-CD1 4.17Å
717P86.5Confident80.4Confident13 Ų1348.8 Ų48.88%0.08425%0.25CS..  trans-55.9131178.3-22.430.9000111.9F654 Y669 S719 M720 L721F654-P717 HydrophobicContact CZ-CG 4.42Å; Y669-P717 HydrophobicContact CE1-CG 3.89Å; Y669-P717 HydrophobicContact CE2-CG 4.33Å; P717-S719 PolarHBondContact O-N 3.47Å; P717-S719 VanDerWaalsContact O-N 3.13Å; P717-M720 HydrophobicContact CB-CB 4.1Å; P717-M720 HydrophobicContact CG-CB 4.38Å; P717-M720 WeakPolarHBondContact O-CA 3.32Å; P717-M720 WeakPolarHBondContact O-CB 3.22Å; P717-M720 PolarHBondContact O-N 2.92Å; P717-L721 PolarHBondContact O-N 2.73Å
718R84.1Confident81.9Confident188 Ų18848.6 Ų48.671%0.70925%0.249SC*.Hα-helixtrans-55-33.4176-67.8-172.9-175.9166.37.2112.9F716 L721 S722F716-R718 PolarHBondContact O-N 3.42Å; R718-L721 PolarHBondContact O-N 3.08Å; R718-S722 VanDerWaalsContact O-CB 3.29Å; R718-S722 WeakPolarHBondContact O-CB 3.1Å; R718-S722 PolarHBondContact O-N 3.29Å; R718-S722 PolarHBondContact O-OG 2.84Å
719S80.4Confident83Confident66 Ų6651.8 Ų51.846%0.46226%0.263SS..Hα-helixtrans-61.2-46.3173.3510000112.1P717 S722 T723P717-S719 PolarHBondContact O-N 3.47Å; P717-S719 VanDerWaalsContact O-N 3.13Å; S719-S722 PolarHBondContact O-OG 2.72Å; S719-T723 VanDerWaalsContact O-CB 3.3Å; S719-T723 WeakPolarHBondContact O-CB 3.24Å; S719-T723 PolarHBondContact O-N 2.88Å; S719-T723 PolarHBondContact O-OG1 2.85Å
720M85.7Confident83.8Confident2 Ų250.6 Ų50.61%0.0126%0.257CS..Hα-helixtrans-62.5-50.4174.7178.1176.3160.300111.2F654 L657 H658 F716 P717 S722 T723 W724 V731F654-M720 HydrophobicContact CD2-CE 3.92Å; F654-M720 HydrophobicContact CD2-SD 3.82Å; F654-M720 HydrophobicContact CE2-CE 4.37Å; F654-M720 HydrophobicContact CE2-SD 3.77Å; L657-M720 HydrophobicContact CB-CE 4.07Å; L657-M720 HydrophobicContact CB-CG 4.22Å; L657-M720 HydrophobicContact CB-SD 4.17Å; L657-M720 HydrophobicContact CD1-CE 3.75Å; H658-M720 HydrophobicContact CB-CB 4.45Å; H658-M720 HydrophobicContact CB-SD 3.91Å; F716-M720 HydrophobicContact CD2-CE 4.05Å; F716-M720 HydrophobicContact CE2-CE 4.27Å; P717-M720 HydrophobicContact CB-CB 4.1Å; P717-M720 HydrophobicContact CG-CB 4.38Å; P717-M720 WeakPolarHBondContact O-CA 3.32Å; P717-M720 WeakPolarHBondContact O-CB 3.22Å; P717-M720 PolarHBondContact O-N 2.92Å; M720-S722 VanDerWaalsContact C-N 3.33Å; M720-S722 PolarHBondContact O-N 3.48Å; M720-T723 PolarHBondContact O-N 2.97Å; M720-W724 WeakPolarHBondContact O-CA 3.18Å; M720-W724 VanDerWaalsContact O-CB 3.32Å; M720-W724 WeakPolarHBondContact O-CB 3.48Å; M720-W724 PolarHBondContact O-N 2.91Å; M720-V731 HydrophobicContact CE-CB 4.47Å; M720-V731 HydrophobicContact CE-CG1 4.43Å
721L84.8Confident84.7Confident45 Ų4546.4 Ų46.424%0.23624%0.235CC..Hα-helixtrans-57.9-42.3178.2-66.2171.1000112.8L713 F716 P717 R718 P725L713-L721 HydrophobicContact CB-CD2 4.27Å; L713-L721 HydrophobicContact CD2-CD2 3.84Å; L713-L721 WeakPolarHBondContact O-CD1 3.4Å; F716-L721 HydrophobicContact CB-CD2 4.09Å; F716-L721 HydrophobicContact CB-CG 4.15Å; F716-L721 HydrophobicContact CD2-CD2 4.47Å; P717-L721 PolarHBondContact O-N 2.73Å; R718-L721 PolarHBondContact O-N 3.08Å; L721-P725 WeakPolarHBondContact O-CA 3.34Å
722S78.5Confident85.4Confident89 Ų8944.3 Ų44.362%0.62223%0.227SC*.Hα-helixtrans-71-35.8179.765.40000113.4R718 S719 M720R718-S722 VanDerWaalsContact O-CB 3.29Å; R718-S722 WeakPolarHBondContact O-CB 3.1Å; R718-S722 PolarHBondContact O-N 3.29Å; R718-S722 PolarHBondContact O-OG 2.84Å; S719-S722 PolarHBondContact O-OG 2.72Å; M720-S722 VanDerWaalsContact C-N 3.33Å; M720-S722 PolarHBondContact O-N 3.48Å
723T76.4Confident85.9Confident46 Ų4648.7 Ų48.728%0.28224%0.243SC..Hα-helixtrans-85.4-27.4-176.9-540000111.9R310 S719 M720R310-T723 PolarHBondContact NE-O 3.02Å; R310-T723 PolarHBondContact NH2-O 2.64Å; S719-T723 VanDerWaalsContact O-CB 3.3Å; S719-T723 WeakPolarHBondContact O-CB 3.24Å; S719-T723 PolarHBondContact O-N 2.88Å; S719-T723 PolarHBondContact O-OG1 2.85Å; M720-T723 PolarHBondContact O-N 2.97Å
724W84.2Confident86.3Confident5 Ų547.6 Ų47.62%0.01924%0.237CC..  trans-141.355.7-167.9-55.1109.6000112.4V308 R310 V313 L657 M720 Y726 E727 S728V308-W724 HydrophobicContact CB-CZ2 4.01Å; V308-W724 HydrophobicContact CG1-CZ2 3.98Å; V308-W724 WeakPolarHBondContact O-CZ2 3.47Å; R310-W724 HydrophobicContact CB-CH2 4.27Å; R310-W724 HydrophobicContact CB-CZ3 4.28Å; R310-W724 HydrophobicContact CG-CE3 4.25Å; R310-W724 HydrophobicContact CG-CH2 3.85Å; R310-W724 HydrophobicContact CG-CZ2 4.44Å; R310-W724 HydrophobicContact CG-CZ3 3.71Å; V313-W724 HydrophobicContact CB-CH2 3.92Å; V313-W724 HydrophobicContact CG1-CH2 3.81Å; V313-W724 HydrophobicContact CG1-CZ2 4.4Å; V313-W724 HydrophobicContact CG1-CZ3 4.38Å; L657-W724 HydrophobicContact CB-CG 4.46Å; L657-W724 HydrophobicContact CD2-CB 4.17Å; L657-W724 HydrophobicContact CD2-CD2 3.4Å; L657-W724 VanDerWaalsContact CD2-CD2 3.4Å; L657-W724 HydrophobicContact CD2-CE3 3.62Å; L657-W724 HydrophobicContact CD2-CG 3.69Å; L657-W724 HydrophobicContact CD2-CH2 4.07Å; L657-W724 HydrophobicContact CD2-CZ2 3.96Å; L657-W724 HydrophobicContact CD2-CZ3 3.94Å; L657-W724 PolarHBondContact O-NE1 3.45Å; M720-W724 WeakPolarHBondContact O-CA 3.18Å; M720-W724 VanDerWaalsContact O-CB 3.32Å; M720-W724 WeakPolarHBondContact O-CB 3.48Å; M720-W724 PolarHBondContact O-N 2.91Å; W724-Y726 PolarHBondContact O-N 2.96Å; W724-E727 HydrophobicContact CB-CB 4.3Å; W724-E727 HydrophobicContact CE3-CG 4.25Å; W724-S728 WeakPolarHBondContact O-CB 3.37Å; W724-S728 PolarHBondContact O-N 3.02Å; W724-S728 PolarHBondContact O-OG 3.41Å
725P81.9Confident86.7Confident47 Ų4741.5 Ų41.531%0.30521%0.205SC..Hα-helixtrans-61-44.2-172.322.8-33.3000112.7L721 Q729L721-P725 WeakPolarHBondContact O-CA 3.34Å; P725-Q729 WeakPolarHBondContact O-CG 3.39Å; P725-Q729 PolarHBondContact O-N 2.87Å
726Y83.9Confident86.7Confident125 Ų12540.7 Ų40.749%0.4920%0.201SC..Hα-helixtrans-72.5-44.6-178.9-58.6-65.3000112.3W724 S728 Q729 L730 N755W724-Y726 PolarHBondContact O-N 2.96Å; Y726-S728 VanDerWaalsContact C-N 3.32Å; Y726-S728 PolarHBondContact O-N 2.6Å; Y726-Q729 PolarHBondContact O-N 3.04Å; Y726-L730 PolarHBondContact O-N 3.38Å; Y726-N755 HydrophobicContact CG-CB 4.22Å
727E87.9Confident86.5Confident11 Ų1142 Ų425%0.05121%0.208CC..Hα-helixtrans-68.5-32178.7-60.779.5179.900111.5R314 L657 W724 L730 V731R314-E727 IonicContact CZ-OE1 2.76Å; R314-E727 IonicContact NH1-OE1 3.03Å; R314-E727 PolarHBondContact NH1-OE1 3.34Å; L657-E727 HydrophobicContact CD1-CB 3.76Å; L657-E727 HydrophobicContact CD2-CB 4.09Å; W724-E727 HydrophobicContact CB-CB 4.3Å; W724-E727 HydrophobicContact CE3-CG 4.25Å; E727-L730 WeakPolarHBondContact O-CB 3.36Å; E727-L730 PolarHBondContact O-N 3.48Å; E727-V731 WeakPolarHBondContact O-CG2 3.46Å; E727-V731 PolarHBondContact O-N 2.92Å
728S90.4Very high86.1Confident0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-65.4-43.4172.4-60.70000112.1F716 W724 Y726 L730 V731 A732F716-S728 WeakPolarHBondContact CE2-O 3.38Å; W724-S728 WeakPolarHBondContact O-CB 3.37Å; W724-S728 PolarHBondContact O-N 3.02Å; W724-S728 PolarHBondContact O-OG 3.41Å; Y726-S728 VanDerWaalsContact C-N 3.32Å; Y726-S728 PolarHBondContact O-N 2.6Å; S728-L730 VanDerWaalsContact C-N 3.29Å; S728-L730 PolarHBondContact O-N 2.05Å; S728-V731 PolarHBondContact O-N 3.36Å; S728-A732 WeakPolarHBondContact O-CB 3.47Å; S728-A732 PolarHBondContact O-N 3.35Å
729Q89.3Confident86Confident101 Ų10137.3 Ų37.347%0.47220%0.196SC..Hα-helixtrans-60.9-39.6173.2-71.2176.319.100111.9L713 P725 Y726 R733L713-Q729 HydrophobicContact CD1-CG 3.97Å; L713-Q729 HydrophobicContact CD2-CG 4.29Å; P725-Q729 WeakPolarHBondContact O-CG 3.39Å; P725-Q729 PolarHBondContact O-N 2.87Å; Y726-Q729 PolarHBondContact O-N 3.04Å; Q729-R733 WeakPolarHBondContact O-CG 3.39Å; Q729-R733 PolarHBondContact O-N 3.23Å
730L91.3Very high85.9Confident5 Ų540.8 Ų40.83%0.02620%0.204CC..Hα-helixtrans-63-48174.9176.460000111.6Y726 E727 S728 A732 R733 M734 I748 I751 L752Y726-L730 PolarHBondContact O-N 3.38Å; E727-L730 WeakPolarHBondContact O-CB 3.36Å; E727-L730 PolarHBondContact O-N 3.48Å; S728-L730 VanDerWaalsContact C-N 3.29Å; S728-L730 PolarHBondContact O-N 2.05Å; L730-A732 PolarHBondContact O-N 3.14Å; L730-R733 WeakPolarHBondContact O-CB 3.22Å; L730-R733 PolarHBondContact O-N 3.24Å; L730-R733 VanDerWaalsContact O-N 3.17Å; L730-M734 HydrophobicContact CD1-CG 4.31Å; L730-M734 HydrophobicContact CD1-SD 3.96Å; L730-M734 HydrophobicContact CG-SD 3.79Å; L730-M734 VanDerWaalsContact O-CG 3.29Å; L730-M734 WeakPolarHBondContact O-CG 3.32Å; L730-M734 PolarHBondContact O-N 2.96Å; L730-I748 HydrophobicContact CD1-CB 4.49Å; L730-I748 HydrophobicContact CD1-CG1 4.14Å; L730-I748 HydrophobicContact CD1-CG2 4.1Å; L730-I748 HydrophobicContact CD2-CG2 4.05Å; L730-I751 HydrophobicContact CD1-CD1 4.13Å; L730-I751 HydrophobicContact CD1-CG2 4.16Å; L730-I751 HydrophobicContact CD2-CG2 4.39Å; L730-L752 HydrophobicContact CD2-CD2 3.69Å; L730-L752 HydrophobicContact CD2-CG 3.92Å
731V93.7Very high85.8Confident1 Ų146.4 Ų46.41%0.00623%0.226CC..Hα-helixtrans-60.5-43.4176.51690000111.8F653 F654 L657 F716 M720 E727 S728 R733 M734 L735F653-V731 HydrophobicContact CB-CG2 3.63Å; F654-V731 HydrophobicContact CB-CG1 3.99Å; F654-V731 HydrophobicContact CD2-CG1 4.35Å; L657-V731 HydrophobicContact CD1-CG2 3.88Å; F716-V731 HydrophobicContact CE2-CB 4.3Å; F716-V731 HydrophobicContact CE2-CG1 3.98Å; F716-V731 HydrophobicContact CZ-CG1 3.84Å; M720-V731 HydrophobicContact CE-CB 4.47Å; M720-V731 HydrophobicContact CE-CG1 4.43Å; E727-V731 WeakPolarHBondContact O-CG2 3.46Å; E727-V731 PolarHBondContact O-N 2.92Å; S728-V731 PolarHBondContact O-N 3.36Å; V731-R733 VanDerWaalsContact C-N 3.3Å; V731-R733 PolarHBondContact O-N 3.48Å; V731-M734 PolarHBondContact O-N 2.77Å; V731-M734 VanDerWaalsContact O-N 3.1Å; V731-L735 HydrophobicContact CG1-CD1 3.84Å; V731-L735 HydrophobicContact CG1-CG 4.33Å; V731-L735 WeakPolarHBondContact O-CG 3.4Å; V731-L735 PolarHBondContact O-N 2.87Å
732A91.2Very high86Confident1 Ų144.4 Ų44.41%0.00822%0.216CC..Hα-helixtrans-60.6-38.8175.500000112.2F673 L713 F716 S728 L730 N736F673-A732 HydrophobicContact CE2-CB 4.19Å; F673-A732 HydrophobicContact CZ-CB 4.26Å; F673-A732 WeakPolarHBondContact CZ-O 3.39Å; L713-A732 HydrophobicContact CD2-CB 4.01Å; L713-A732 HydrophobicContact CG-CB 4.46Å; F716-A732 HydrophobicContact CE2-CB 3.83Å; F716-A732 HydrophobicContact CZ-CB 4.12Å; S728-A732 WeakPolarHBondContact O-CB 3.47Å; S728-A732 PolarHBondContact O-N 3.35Å; L730-A732 PolarHBondContact O-N 3.14Å; A732-N736 PolarHBondContact O-N 2.88Å
733R90.5Very high86.6Confident94 Ų9440.2 Ų40.236%0.35519%0.186SC..Hα-helixtrans-67.3-36.4173.5-71.6173.964.7163.1-4.3112.4M709 Q729 L730 V731 N736 R742M709-R733 HydrophobicContact CE-CG 3.92Å; M709-R733 HydrophobicContact SD-CG 4.11Å; Q729-R733 WeakPolarHBondContact O-CG 3.39Å; Q729-R733 PolarHBondContact O-N 3.23Å; L730-R733 WeakPolarHBondContact O-CB 3.22Å; L730-R733 PolarHBondContact O-N 3.24Å; L730-R733 VanDerWaalsContact O-N 3.17Å; V731-R733 VanDerWaalsContact C-N 3.3Å; V731-R733 PolarHBondContact O-N 3.48Å; R733-N736 WeakPolarHBondContact O-CB 3.49Å; R733-R742 WeakPolarHBondContact O-CA 3.49Å
734M93.5Very high87.3Confident0 Ų039.9 Ų39.90%018%0.183CC..Hα-helixtrans-72.6-33.2178.3-68.7166.469.200113.2I646 L649 F653 L730 V731 N736 R742 P743 I748I646-M734 HydrophobicContact CG2-CB 4.21Å; I646-M734 HydrophobicContact CG2-CE 4.48Å; I646-M734 HydrophobicContact CG2-CG 3.97Å; L649-M734 HydrophobicContact CB-CE 3.38Å; L649-M734 HydrophobicContact CD1-CE 4.42Å; F653-M734 HydrophobicContact CD2-CE 3.79Å; F653-M734 HydrophobicContact CD2-SD 4.03Å; F653-M734 HydrophobicContact CE2-CE 4.02Å; F653-M734 HydrophobicContact CE2-SD 4.44Å; L730-M734 HydrophobicContact CD1-CG 4.31Å; L730-M734 HydrophobicContact CD1-SD 3.96Å; L730-M734 HydrophobicContact CG-SD 3.79Å; L730-M734 VanDerWaalsContact O-CG 3.29Å; L730-M734 WeakPolarHBondContact O-CG 3.32Å; L730-M734 PolarHBondContact O-N 2.96Å; V731-M734 PolarHBondContact O-N 2.77Å; V731-M734 VanDerWaalsContact O-N 3.1Å; M734-N736 VanDerWaalsContact C-N 3.31Å; M734-N736 PolarHBondContact O-N 3.38Å; M734-R742 VanDerWaalsContact O-CD 3.28Å; M734-R742 WeakPolarHBondContact O-CD 3.41Å; M734-R742 WeakPolarHBondContact O-CG 3.07Å; M734-P743 HydrophobicContact CG-CG 3.95Å; M734-I748 HydrophobicContact CE-CD1 3.93Å; M734-I748 HydrophobicContact CG-CD1 4.05Å; M734-I748 HydrophobicContact CG-CG1 4.47Å; M734-I748 HydrophobicContact SD-CD1 4Å; M734-I748 HydrophobicContact SD-CG1 4.4Å
735L92.2Very high87.8Confident1 Ų139.8 Ų39.81%0.00518%0.183CC..THydrogen-bonded Turntrans-83.3-0.9177.1-66.6175.5000114.1Y647 V651 L670 F673 F716 V731 L737Y647-L735 HydrophobicContact CD2-CD2 4.14Å; Y647-L735 HydrophobicContact CE1-CD2 4.45Å; Y647-L735 HydrophobicContact CE2-CB 4.44Å; Y647-L735 HydrophobicContact CE2-CD2 3.89Å; V651-L735 HydrophobicContact CG2-CD2 3.59Å; L670-L735 HydrophobicContact CD2-CD1 4.1Å; L670-L735 HydrophobicContact CD2-CD2 4.22Å; F673-L735 HydrophobicContact CD1-CB 4.03Å; F673-L735 HydrophobicContact CE1-CB 3.6Å; F673-L735 WeakPolarHBondContact CE1-O 3.31Å; F673-L735 HydrophobicContact CZ-CB 3.94Å; F716-L735 HydrophobicContact CE1-CD1 4.45Å; F716-L735 HydrophobicContact CZ-CD1 4.17Å; V731-L735 HydrophobicContact CG1-CD1 3.84Å; V731-L735 HydrophobicContact CG1-CG 4.33Å; V731-L735 WeakPolarHBondContact O-CG 3.4Å; V731-L735 PolarHBondContact O-N 2.87Å; L735-L737 PolarHBondContact O-N 2.87Å
736N86.2Confident88.1Confident7 Ų741.6 Ų41.64%0.03719%0.188CC..  trans-58.9125.8-176.1-164.1-49.7000111.9M709 A732 R733 M734 H738 R742M709-N736 WeakPolarHBondContact CE-ND2 3.47Å; A732-N736 PolarHBondContact O-N 2.88Å; R733-N736 WeakPolarHBondContact O-CB 3.49Å; M734-N736 VanDerWaalsContact C-N 3.31Å; M734-N736 PolarHBondContact O-N 3.38Å; N736-H738 PolarHBondContact O-N 3.02Å; N736-H738 WeakPolarHBondContact OD1-CB 3.26Å; N736-H738 PolarHBondContact OD1-N 3Å; N736-R742 HydrophobicContact CB-CG 4.28Å; N736-R742 WeakPolarHBondContact O-CG 3.42Å; N736-R742 PolarHBondContact O-NE 3.18Å
737L83.2Confident88.3Confident35 Ų3539.3 Ų39.318%0.18318%0.182CC..SBendtrans-59.6-32.6179.9-70.8-172.4000112.9P624 I674 S677 L735 V739P624-L737 HydrophobicContact CB-CD2 4.33Å; P624-L737 HydrophobicContact CG-CD2 3.81Å; I674-L737 HydrophobicContact CG1-CD2 4.19Å; I674-L737 HydrophobicContact CG2-CD1 4.26Å; S677-L737 VanDerWaalsContact CB-CD1 3.43Å; L735-L737 PolarHBondContact O-N 2.87Å; L737-V739 PolarHBondContact O-N 3.05Å; L737-V739 VanDerWaalsContact O-N 3.16Å
738H78.5Confident88.5Confident62 Ų6238.8 Ų38.829%0.28718%0.18SC..SBendtrans-76.9102.4175.3-69.7-70.5000110.3N681 N736 Q740 Y741 R742N681-H738 PolarHBondContact OD1-CE1 3.47Å; N681-H738 PolarHBondContact OD1-NE2 2.97Å; N736-H738 PolarHBondContact O-N 3.02Å; N736-H738 WeakPolarHBondContact OD1-CB 3.26Å; N736-H738 PolarHBondContact OD1-N 3Å; H738-Q740 HydrophobicContact CB-CG 4.33Å; H738-Q740 PolarHBondContact O-N 2.93Å; H738-Y741 HydrophobicContact CB-CD2 3.54Å; H738-Y741 HydrophobicContact CB-CE2 4.08Å; H738-Y741 HydrophobicContact CB-CG 4.36Å; H738-Y741 PolarHBondContact O-N 3.36Å; H738-R742 PolarHBondContact O-N 3.36Å
739V83.4Confident88.3Confident41 Ų4138.8 Ų38.825%0.24818%0.18CC..THydrogen-bonded Turntrans-45.8-37178.7-178.90000112.8E625 K643 L737 Y741 R742E625-V739 HydrophobicContact CG-CG2 4.13Å; K643-V739 HydrophobicContact CB-CG1 3.8Å; K643-V739 HydrophobicContact CG-CG1 3.88Å; L737-V739 PolarHBondContact O-N 3.05Å; L737-V739 VanDerWaalsContact O-N 3.16Å; V739-Y741 VanDerWaalsContact C-N 3.33Å; V739-Y741 PolarHBondContact O-N 2.83Å; V739-R742 PolarHBondContact O-N 3.19Å
740Q77.8Confident87.9Confident139 Ų13939.6 Ų39.665%0.6518%0.184SC*.THydrogen-bonded Turntrans-68.3-22.3-179.971.8-158.723.500115.1H738H738-Q740 HydrophobicContact CB-CG 4.33Å; H738-Q740 PolarHBondContact O-N 2.93Å
741Y83.3Confident87.4Confident120 Ų12041 Ų4147%0.47119%0.191SC..THydrogen-bonded Turntrans-100.8-11.4179.3-59.5-44.2000113.7H738 V739H738-Y741 HydrophobicContact CB-CD2 3.54Å; H738-Y741 HydrophobicContact CB-CE2 4.08Å; H738-Y741 HydrophobicContact CB-CG 4.36Å; H738-Y741 PolarHBondContact O-N 3.36Å; V739-Y741 VanDerWaalsContact C-N 3.33Å; V739-Y741 PolarHBondContact O-N 2.83Å
742R89.1Confident86.8Confident3 Ų341.2 Ų41.21%0.01119%0.192CC..SBendtrans-63.6139167.6-75.9-178.1-129.11572.1109.6E625 K643 I646 R733 M734 N736 H738 V739E625-R742 IonicContact OE1-CZ 3.15Å; E625-R742 IonicContact OE1-NH1 3.81Å; E625-R742 PolarHBondContact OE1-NH1 3.23Å; E625-R742 IonicContact OE1-NH2 2.66Å; E625-R742 PolarHBondContact OE1-NH2 3.36Å; E625-R742 VanDerWaalsContact OE1-NH2 3.13Å; E625-R742 IonicContact OE2-CZ 3.6Å; E625-R742 IonicContact OE2-NH1 4Å; E625-R742 IonicContact OE2-NH2 2.64Å; E625-R742 PolarHBondContact OE2-NH2 3.41Å; K643-R742 HydrophobicContact CD-CB 4.1Å; K643-R742 PolarHBondContact NZ-O 3.16Å; K643-R742 PolarHBondContact O-NH1 3.14Å; I646-R742 HydrophobicContact CG2-CB 4.49Å; R733-R742 WeakPolarHBondContact O-CA 3.49Å; M734-R742 VanDerWaalsContact O-CD 3.28Å; M734-R742 WeakPolarHBondContact O-CD 3.41Å; M734-R742 WeakPolarHBondContact O-CG 3.07Å; N736-R742 HydrophobicContact CB-CG 4.28Å; N736-R742 WeakPolarHBondContact O-CG 3.42Å; N736-R742 PolarHBondContact O-NE 3.18Å; H738-R742 PolarHBondContact O-N 3.36Å; V739-R742 PolarHBondContact O-N 3.19Å
743P90.7Very high85.8Confident1 Ų141.5 Ų41.51%0.00619%0.194CC..PPolyproline II helixtrans-67.9164.8173.430.3-34.6000111.6K643 I646 M734 E747 I748K643-P743 VanDerWaalsContact CD-O 3.31Å; K643-P743 WeakPolarHBondContact CD-O 3.4Å; K643-P743 PolarHBondContact NZ-O 3.47Å; K643-P743 VanDerWaalsContact NZ-O 3.11Å; I646-P743 HydrophobicContact CG2-CG 4.42Å; M734-P743 HydrophobicContact CG-CG 3.95Å; P743-E747 VanDerWaalsContact C-OE2 3.29Å; P743-E747 WeakPolarHBondContact CA-OE2 3.36Å; P743-E747 HydrophobicContact CB-CB 3.99Å; P743-E747 WeakPolarHBondContact CB-OE2 3.32Å; P743-I748 HydrophobicContact CB-CG1 3.81Å; P743-I748 HydrophobicContact CG-CD1 3.96Å; P743-I748 HydrophobicContact CG-CG1 3.52Å
744N91.7Very high84.5Confident38 Ų3842 Ų4220%0.20321%0.207CC..PPolyproline II helixtrans-90.4169.4165.474.654.9000110.1Y642 K643 M746 E747 I748Y642-N744 HydrophobicContact CE2-CB 3.59Å; K643-N744 VanDerWaalsContact NZ-N 3.13Å; N744-M746 VanDerWaalsContact C-N 3.3Å; N744-M746 PolarHBondContact O-N 2.87Å; N744-M746 WeakPolarHBondContact OD1-CA 3.38Å; N744-M746 WeakPolarHBondContact OD1-CB 3.27Å; N744-M746 PolarHBondContact OD1-N 3.08Å; N744-E747 PolarHBondContact N-OE2 3.35Å; N744-E747 VanDerWaalsContact ND2-CG 3.34Å; N744-E747 WeakPolarHBondContact ND2-CG 3.15Å; N744-E747 PolarHBondContact ND2-OE1 3.11Å; N744-E747 VanDerWaalsContact ND2-OE1 3.12Å; N744-E747 PolarHBondContact ND2-OE2 3.46Å; N744-E747 PolarHBondContact O-N 2.84Å; N744-E747 PolarHBondContact OD1-N 3.34Å; N744-I748 VanDerWaalsContact O-CG1 3.3Å; N744-I748 WeakPolarHBondContact O-CG1 3.47Å; N744-I748 PolarHBondContact O-N 2.87Å
745A93.4Very high82.7Confident3 Ų344.9 Ų44.93%0.02522%0.223CC..Hα-helixtrans-61.9-35.7-17600000113.2V321 V324 A325 I646 I748 L749V321-A745 HydrophobicContact CG1-CB 4.05Å; V321-A745 VanDerWaalsContact CG1-O 3.29Å; V321-A745 WeakPolarHBondContact CG1-O 3.47Å; V324-A745 HydrophobicContact CG1-CB 4.29Å; A325-A745 HydrophobicContact CB-CB 3.71Å; I646-A745 HydrophobicContact CD1-CB 4.07Å; A745-I748 PolarHBondContact O-N 3.31Å; A745-L749 VanDerWaalsContact O-CG 3.31Å; A745-L749 WeakPolarHBondContact O-CG 3.29Å; A745-L749 PolarHBondContact O-N 3.07Å; A745-L749 VanDerWaalsContact O-N 3.08Å
746M89.1Confident81Confident85 Ų8545.6 Ų45.642%0.41923%0.227SC..Hα-helixtrans-70.3-42.8176.3-70.3-64.1-74.800112.3A325 N744 I748 L749 E750A325-M746 HydrophobicContact CB-SD 4.06Å; N744-M746 VanDerWaalsContact C-N 3.3Å; N744-M746 PolarHBondContact O-N 2.87Å; N744-M746 WeakPolarHBondContact OD1-CA 3.38Å; N744-M746 WeakPolarHBondContact OD1-CB 3.27Å; N744-M746 PolarHBondContact OD1-N 3.08Å; M746-I748 VanDerWaalsContact C-N 3.26Å; M746-I748 PolarHBondContact O-N 3.01Å; M746-L749 PolarHBondContact O-N 2.82Å; M746-L749 VanDerWaalsContact O-N 3.13Å; M746-L749 HydrophobicContact SD-CD1 4.2Å; M746-E750 WeakPolarHBondContact O-CB 3.42Å; M746-E750 PolarHBondContact O-N 2.91Å
747E88.7Confident79.2Confident77 Ų7749.7 Ų49.736%0.3625%0.247SC..Hα-helixtrans-58.9-36.6172.8-74.7165.7178.500111.9P743 N744 I751P743-E747 VanDerWaalsContact C-OE2 3.29Å; P743-E747 WeakPolarHBondContact CA-OE2 3.36Å; P743-E747 HydrophobicContact CB-CB 3.99Å; P743-E747 WeakPolarHBondContact CB-OE2 3.32Å; N744-E747 PolarHBondContact N-OE2 3.35Å; N744-E747 VanDerWaalsContact ND2-CG 3.34Å; N744-E747 WeakPolarHBondContact ND2-CG 3.15Å; N744-E747 PolarHBondContact ND2-OE1 3.11Å; N744-E747 VanDerWaalsContact ND2-OE1 3.12Å; N744-E747 PolarHBondContact ND2-OE2 3.46Å; N744-E747 PolarHBondContact O-N 2.84Å; N744-E747 PolarHBondContact OD1-N 3.34Å; E747-I751 WeakPolarHBondContact O-CD1 3.38Å; E747-I751 WeakPolarHBondContact O-CG1 3.4Å; E747-I751 PolarHBondContact O-N 2.91Å
748I91.1Very high77.4Confident0 Ų050.4 Ų50.40%025%0.248CC..Hα-helixtrans-67.4-43.7175.1-64.4164.2000110.8V321 I646 L730 M734 P743 N744 A745 M746 E750 I751 L752V321-I748 HydrophobicContact CB-CG2 4.39Å; V321-I748 HydrophobicContact CG1-CB 3.97Å; V321-I748 HydrophobicContact CG1-CD1 4.47Å; V321-I748 HydrophobicContact CG1-CG2 3.91Å; V321-I748 HydrophobicContact CG2-CG2 3.82Å; I646-I748 HydrophobicContact CD1-CD1 3.88Å; I646-I748 HydrophobicContact CG2-CD1 3.78Å; L730-I748 HydrophobicContact CD1-CB 4.49Å; L730-I748 HydrophobicContact CD1-CG1 4.14Å; L730-I748 HydrophobicContact CD1-CG2 4.1Å; L730-I748 HydrophobicContact CD2-CG2 4.05Å; M734-I748 HydrophobicContact CE-CD1 3.93Å; M734-I748 HydrophobicContact CG-CD1 4.05Å; M734-I748 HydrophobicContact CG-CG1 4.47Å; M734-I748 HydrophobicContact SD-CD1 4Å; M734-I748 HydrophobicContact SD-CG1 4.4Å; P743-I748 HydrophobicContact CB-CG1 3.81Å; P743-I748 HydrophobicContact CG-CD1 3.96Å; P743-I748 HydrophobicContact CG-CG1 3.52Å; N744-I748 VanDerWaalsContact O-CG1 3.3Å; N744-I748 WeakPolarHBondContact O-CG1 3.47Å; N744-I748 PolarHBondContact O-N 2.87Å; A745-I748 PolarHBondContact O-N 3.31Å; M746-I748 VanDerWaalsContact C-N 3.26Å; M746-I748 PolarHBondContact O-N 3.01Å; I748-E750 VanDerWaalsContact C-N 3.29Å; I748-E750 PolarHBondContact O-N 3.23Å; I748-I751 PolarHBondContact O-N 3.49Å; I748-L752 HydrophobicContact CG2-CD1 3.89Å; I748-L752 HydrophobicContact CG2-CG 4.23Å; I748-L752 WeakPolarHBondContact O-CB 3.17Å; I748-L752 WeakPolarHBondContact O-CG 3.25Å; I748-L752 PolarHBondContact O-N 3.36Å
749L86.8Confident75.5Confident1 Ų151.2 Ų51.21%0.00526%0.259CS..Hα-helixtrans-64.2-36.1177.1-71.2165.2000111.9V321 A325 A745 M746 L752 S753V321-L749 HydrophobicContact CB-CD1 4.48Å; V321-L749 HydrophobicContact CB-CD2 3.68Å; V321-L749 HydrophobicContact CB-CG 3.94Å; V321-L749 HydrophobicContact CG1-CD1 4.09Å; V321-L749 HydrophobicContact CG1-CD2 4.02Å; V321-L749 HydrophobicContact CG1-CG 3.67Å; A325-L749 HydrophobicContact CB-CD1 3.61Å; A745-L749 VanDerWaalsContact O-CG 3.31Å; A745-L749 WeakPolarHBondContact O-CG 3.29Å; A745-L749 PolarHBondContact O-N 3.07Å; A745-L749 VanDerWaalsContact O-N 3.08Å; M746-L749 PolarHBondContact O-N 2.82Å; M746-L749 VanDerWaalsContact O-N 3.13Å; M746-L749 HydrophobicContact SD-CD1 4.2Å; L749-L752 CarbonylContact O-C 3.42Å; L749-L752 PolarHBondContact O-N 3.03Å; L749-S753 WeakPolarHBondContact O-CB 3.2Å; L749-S753 PolarHBondContact O-N 3.1Å
750E80.1Confident73.6Confident118 Ų11852.1 Ų52.155%0.55126%0.262SS*.Hα-helixtrans-63.3-49171.4-168177.9-162.400110.9M746 I748 L752 S753 V754M746-E750 WeakPolarHBondContact O-CB 3.42Å; M746-E750 PolarHBondContact O-N 2.91Å; I748-E750 VanDerWaalsContact C-N 3.29Å; I748-E750 PolarHBondContact O-N 3.23Å; E750-L752 VanDerWaalsContact C-N 3.33Å; E750-L752 PolarHBondContact O-N 3.5Å; E750-S753 WeakPolarHBondContact CA-OG 3.34Å; E750-S753 CarbonylContact O-C 3.38Å; E750-S753 WeakPolarHBondContact O-CA 3.33Å; E750-S753 WeakPolarHBondContact O-CB 3.45Å; E750-S753 PolarHBondContact O-N 3.37Å; E750-S753 PolarHBondContact O-OG 3.26Å; E750-V754 WeakPolarHBondContact O-CG2 3.39Å; E750-V754 PolarHBondContact O-N 2.74Å
751I81.8Confident71.9Confident35 Ų3547.4 Ų47.418%0.17924%0.241CC..Hα-helixtrans-60.1-40.7175.2-67.2161.9000111.9L730 E747 I748 S753 V754 N755L730-I751 HydrophobicContact CD1-CD1 4.13Å; L730-I751 HydrophobicContact CD1-CG2 4.16Å; L730-I751 HydrophobicContact CD2-CG2 4.39Å; E747-I751 WeakPolarHBondContact O-CD1 3.38Å; E747-I751 WeakPolarHBondContact O-CG1 3.4Å; E747-I751 PolarHBondContact O-N 2.91Å; I748-I751 PolarHBondContact O-N 3.49Å; I751-S753 PolarHBondContact O-N 2.91Å; I751-V754 PolarHBondContact O-N 3.44Å; I751-N755 PolarHBondContact O-N 3.45Å; I751-N755 VanDerWaalsContact O-N 3.08Å
752L80.4Confident69.7Low4 Ų442.8 Ų42.82%0.02123%0.23CC..Hα-helixtrans-70.7-17.2174.3-71.6176.2000113R314 M317 V321 L730 I748 L749 E750R314-L752 PolarHBondContact NH2-O 2.93Å; M317-L752 HydrophobicContact CB-CD1 4.31Å; V321-L752 HydrophobicContact CG2-CD1 4.17Å; L730-L752 HydrophobicContact CD2-CD2 3.69Å; L730-L752 HydrophobicContact CD2-CG 3.92Å; I748-L752 HydrophobicContact CG2-CD1 3.89Å; I748-L752 HydrophobicContact CG2-CG 4.23Å; I748-L752 WeakPolarHBondContact O-CB 3.17Å; I748-L752 WeakPolarHBondContact O-CG 3.25Å; I748-L752 PolarHBondContact O-N 3.36Å; L749-L752 CarbonylContact O-C 3.42Å; L749-L752 PolarHBondContact O-N 3.03Å; E750-L752 VanDerWaalsContact C-N 3.33Å; E750-L752 PolarHBondContact O-N 3.5Å
753S70.1Confident67.5Low8 Ų850 Ų506%0.05626%0.264CS..Hα-helixtrans-87-41.4170.7770000112.4L749 E750 I751 S756L749-S753 WeakPolarHBondContact O-CB 3.2Å; L749-S753 PolarHBondContact O-N 3.1Å; E750-S753 WeakPolarHBondContact CA-OG 3.34Å; E750-S753 CarbonylContact O-C 3.38Å; E750-S753 WeakPolarHBondContact O-CA 3.33Å; E750-S753 WeakPolarHBondContact O-CB 3.45Å; E750-S753 PolarHBondContact O-N 3.37Å; E750-S753 PolarHBondContact O-OG 3.26Å; I751-S753 PolarHBondContact O-N 2.91Å; S753-S756 WeakPolarHBondContact O-CB 3.21Å
754V64.3Low64.8Low104 Ų10452.2 Ų52.263%0.6328%0.276SS*.Hα-helixtrans-71.7-47.8-176.5171.60000111.8E750 I751 S756E750-V754 WeakPolarHBondContact O-CG2 3.39Å; E750-V754 PolarHBondContact O-N 2.74Å; I751-V754 PolarHBondContact O-N 3.44Å; V754-S756 PolarHBondContact O-N 2.87Å
755N56Low62.3Low61 Ų6153.3 Ų53.333%0.32628%0.277SS..THydrogen-bonded Turntrans-83.327.5-178.2-67.2-27.9000112.3R314 Y726 I751R314-N755 PolarHBondContact NH1-O 3.39Å; R314-N755 PolarHBondContact NH2-O 3.07Å; Y726-N755 HydrophobicContact CG-CB 4.22Å; I751-N755 PolarHBondContact O-N 3.45Å; I751-N755 VanDerWaalsContact O-N 3.08Å
756S55.7Low59.3Low15 Ų1559.7 Ų59.711%0.10531%0.309CS..  trans-95.1139.3-168.1-166.20000111.1S753 V754 F758S753-S756 WeakPolarHBondContact O-CB 3.21Å; V754-S756 PolarHBondContact O-N 2.87Å; S756-F758 WeakPolarHBondContact CB-O 3.4Å; S756-F758 PolarHBondContact O-N 3.33Å; S756-F758 VanDerWaalsContact O-N 3.12Å; S756-F758 WeakPolarHBondContact OG-CA 3.44Å; S756-F758 WeakPolarHBondContact OG-CB 3.32Å; S756-F758 WeakPolarHBondContact OG-CD2 3.29Å; S756-F758 PolarHBondContact OG-N 3.47Å; S756-F758 PolarHBondContact OG-O 3.38Å
757E47.2Very low56.5Low94 Ų9459.8 Ų59.844%0.43932%0.315SS..SBendtrans-63.6-7.8161.1-63.9174.9-169.600111R310R310-E757 IonicContact CZ-OE1 2.68Å; R310-E757 IonicContact NH1-OE1 3.34Å; R310-E757 PolarHBondContact NH1-OE1 3.21Å
758F45.5Very low53.9Low50 Ų5060.9 Ų60.922%0.21933%0.327CS..SBendtrans-11985.6175.6-38.5-80.5000111A311 S756 D760 L761A311-F758 HydrophobicContact CB-CZ 4.33Å; S756-F758 WeakPolarHBondContact CB-O 3.4Å; S756-F758 PolarHBondContact O-N 3.33Å; S756-F758 VanDerWaalsContact O-N 3.12Å; S756-F758 WeakPolarHBondContact OG-CA 3.44Å; S756-F758 WeakPolarHBondContact OG-CB 3.32Å; S756-F758 WeakPolarHBondContact OG-CD2 3.29Å; S756-F758 PolarHBondContact OG-N 3.47Å; S756-F758 PolarHBondContact OG-O 3.38Å; F758-D760 PolarHBondContact O-N 3.36Å; F758-D760 VanDerWaalsContact O-N 3.17Å; F758-L761 HydrophobicContact CB-CD1 4.31Å; F758-L761 HydrophobicContact CB-CG 4.39Å
759P39.3Very low51Low79 Ų7966.3 Ų66.351%0.51336%0.356SS..G310 helixtrans-62.2-22-173.7-25.235.8000115.5L761P759-L761 VanDerWaalsContact C-N 3.26Å; P759-L761 PolarHBondContact O-N 3.3Å
760D42.6Very low48.4Very low60 Ų6070.7 Ų70.732%0.32139%0.392SS..G310 helixtrans-81.71.3-169.2-54.1-18.7000113.9F758 G762 Y810F758-D760 PolarHBondContact O-N 3.36Å; F758-D760 VanDerWaalsContact O-N 3.17Å; D760-G762 PolarHBondContact O-N 2.87Å; D760-Y810 HydrophobicContact CB-CD2 4.38Å; D760-Y810 WeakPolarHBondContact OD2-CD2 3.49Å
761L42.6Very low46.1Very low40 Ų4069.4 Ų69.421%0.20940%0.396CS..G310 helixtrans-67.9-11.8178.8-73174.5000114.2F758 P759 R765F758-L761 HydrophobicContact CB-CD1 4.31Å; F758-L761 HydrophobicContact CB-CG 4.39Å; P759-L761 VanDerWaalsContact C-N 3.26Å; P759-L761 PolarHBondContact O-N 3.3Å; L761-R765 PolarHBondContact O-NE 3.32Å
762G38.3Very low43.7Very low22 Ų2274.8 Ų74.823%0.22743%0.425CS..SBendtrans-87.8-42.2-175.600000115.4D760 N764 R765D760-G762 PolarHBondContact O-N 2.87Å; G762-N764 PolarHBondContact O-N 3.49Å; G762-R765 PolarHBondContact O-N 3.21Å
763E41.3Very low41.2Very low155 Ų15579.3 Ų79.372%0.72446%0.457SS*.THydrogen-bonded Turntrans-65-19.6-162.8-70.8-163.414200115.1
764N35.5Very low39.1Very low48 Ų4884.9 Ų84.926%0.25750%0.496SS..THydrogen-bonded Turntrans-106.92.6-176.9-117.44.4000114.4G762 T767 W813 E817G762-N764 PolarHBondContact O-N 3.49Å; N764-T767 PolarHBondContact O-OG1 3.21Å; N764-T767 PolarHBondContact OD1-OG1 2.98Å; N764-W813 HydrophobicContact CB-CH2 3.68Å; N764-W813 HydrophobicContact CB-CZ2 3.55Å; N764-W813 WeakPolarHBondContact ND2-CH2 3.24Å; N764-W813 WeakPolarHBondContact ND2-CZ2 3.26Å; N764-E817 PolarHBondContact ND2-OE1 2.85Å; N764-E817 PolarHBondContact ND2-OE2 3.13Å; N764-E817 VanDerWaalsContact ND2-OE2 3.11Å
765R38Very low37.5Very low60 Ų6086 Ų8623%0.22650%0.503CS..THydrogen-bonded Turntrans-82.5-21.2172.3-67.7179.5-178.4-82.72.3112.5D318 L761 G762D318-R765 IonicContact OD1-CZ 3.54Å; D318-R765 IonicContact OD1-NH2 2.67Å; D318-R765 PolarHBondContact OD1-NH2 3.32Å; D318-R765 IonicContact OD2-NH2 2.72Å; L761-R765 PolarHBondContact O-NE 3.32Å; G762-R765 PolarHBondContact O-N 3.21Å
766I32Very low36.1Very low138 Ų13890.3 Ų90.371%0.70853%0.526SS*.SBendtrans-87.9-16-174.4-60.8172.4000112.3
767T30.3Very low34.7Very low87 Ų8797.1 Ų97.153%0.53456%0.559SS.*SBendtrans-96.1-5.3-168.5500000115.5N764N764-T767 PolarHBondContact O-OG1 3.21Å; N764-T767 PolarHBondContact OD1-OG1 2.98Å
768V32.6Very low33.8Very low100 Ų10099.4 Ų99.461%0.60658%0.579SS**SBendtrans-88-41.6-179.4-175.80000111.8A770 S771V768-A770 VanDerWaalsContact C-N 3.35Å; V768-A770 PolarHBondContact O-N 2.68Å; V768-S771 PolarHBondContact O-OG 3.37Å; V768-S771 VanDerWaalsContact O-OG 3.05Å
769D31.5Very low33Very low114 Ų114102.3 Ų102.361%0.6161%0.606SS**G310 helixtrans-76.5-18.5-175.5-65.5-28.3000114S771 N772D769-S771 PolarHBondContact O-N 2.85Å; D769-N772 PolarHBondContact O-N 2.82Å
770A31.5Very low32.4Very low92 Ų92108.1 Ų108.176%0.7662%0.623SS**G310 helixtrans-63.4-3178.800000114.7V768V768-A770 VanDerWaalsContact C-N 3.35Å; V768-A770 PolarHBondContact O-N 2.68Å
771S32.7Very low31.7Very low91 Ų91113 Ų11364%0.63665%0.649SS**G310 helixtrans-94.7-12.4178.362.10000114.7V768 D769V768-S771 PolarHBondContact O-OG 3.37Å; V768-S771 VanDerWaalsContact O-OG 3.05Å; D769-S771 PolarHBondContact O-N 2.85Å
772N29.8Very low30.9Very low149 Ų149118.8 Ų118.880%0.79768%0.679SS**SBendtrans-145.541.7-168.4-86.6-39.8000116.2D769D769-N772 PolarHBondContact O-N 2.82Å
773S29.3Very low30.2Very low99 Ų99127.6 Ų127.669%0.69271%0.711SS**  trans-162.5126.1152.1560000113.8V775S773-V775 PolarHBondContact O-N 2.89Å
774S26.2Very low29.6Very low125 Ų125127.5 Ų127.587%0.87471%0.714SS**  trans-83.982.9171.656.80000111.3
775V30.4Very low29.1Very low128 Ų128133.9 Ų133.978%0.77674%0.743SS**  trans-137.1107.4163.8-1760000108.9S773S773-V775 PolarHBondContact O-N 2.89Å
776D25.7Very low28.4Very low150 Ų150136.7 Ų136.780%0.80277%0.772SS**  trans-61.8168.2169.4-90.2-62.6000112.5
777I26.6Very low28.2Very low158 Ų158136.8 Ų136.881%0.8178%0.778SS**  trans104136.8169.5-52.5155.3000113.3
778V27.8Very low28Very low142 Ų142139.8 Ų139.886%0.86179%0.79SS**SBendtrans77.241.3-176.3-148.60000117.8
779S29.2Very low27.7Very low111 Ų111142.2 Ų142.278%0.77679%0.794SS**  trans-141.718.5154.962.60000114.8N781S779-N781 VanDerWaalsContact C-N 3.28Å; S779-N781 PolarHBondContact O-N 3.07Å
780K26.6Very low27.5Very low201 Ų201144.1 Ų144.187%0.87480%0.799SS**THydrogen-bonded Turntrans-6683.3165.1-77.8-176.7176.9174.90110.3
781N27.7Very low27.3Very low162 Ų162147.7 Ų147.787%0.86681%0.806SS**THydrogen-bonded Turntrans-167.49.8155-100.9-19.4000117.3S779S779-N781 VanDerWaalsContact C-N 3.28Å; S779-N781 PolarHBondContact O-N 3.07Å
782L26.6Very low27Very low162 Ų162152.3 Ų152.385%0.84881%0.814SS**  trans-125.289.9170.6-85.6163.4000111.7I784L782-I784 PolarHBondContact O-N 2.76Å
783K24.2Very low26.8Very low207 Ų207155.1 Ų155.190%0.982%0.819SS**  trans-69.6109.3161.9-77.6-176.9173.7-1750109.1
784I27.1Very low26.7Very low154 Ų154155.5 Ų155.579%0.7982%0.817SS**  trans-135121.8151-58.7-176.2000107.1L782L782-I784 PolarHBondContact O-N 2.76Å
785E25.2Very low26.6Very low182 Ų182154.5 Ų154.585%0.8581%0.81SS**  trans-74137.2-173.9-66.7168.3149.500111.2T787E785-T787 PolarHBondContact O-N 3.24Å
786S24.6Very low26.7Very low119 Ų119155.3 Ų155.383%0.83280%0.801SS**  trans-86.8105.4176.557.70000111
787T26.3Very low26.8Very low139 Ų139153.6 Ų153.685%0.85380%0.797SS**  trans-123.2141159.2360000111.2E785E785-T787 PolarHBondContact O-N 3.24Å
788I27.1Very low27.2Very low150 Ų150151.4 Ų151.477%0.76979%0.787SS**  trans-69.8158-164.6-44.6172.2000110.9
789H26.4Very low27.3Very low152 Ų152154.6 Ų154.670%0.70479%0.789SS**  trans103.1133.2161.3-72.4-89.1000119.8
790E27Very low27.6Very low153 Ų153151.3 Ų151.372%0.71577%0.773SS**  trans74.4113.1146.7-71.5159.7-154.900120.8K792E790-K792 PolarHBondContact O-N 2.85Å
791D26.7Very low28Very low167 Ų167150.1 Ų150.189%0.89378%0.776SS**  trans38.264.8133.9-68.6-5000117.9
792K25.9Very low28.5Very low189 Ų189146.4 Ų146.482%0.82275%0.753SS**  trans-109.8108.6163.8-74.2176.4-177.2167.60111.4E790 V794E790-K792 PolarHBondContact O-N 2.85Å; K792-V794 PolarHBondContact O-N 3.17Å
793K25.3Very low29.2Very low207 Ų207143.7 Ų143.790%0.974%0.739SS**  trans-51.1109.4157.9-76.4176.4178173.40108.2S795K793-S795 PolarHBondContact O-N 3.09Å
794V27.6Very low30Very low107 Ų107140.3 Ų140.365%0.64873%0.73SS**  trans-71.398.7172.8-179.20000108.1K792 Y796K792-V794 PolarHBondContact O-N 3.17Å; V794-Y796 HydrophobicContact CB-CE2 4.4Å; V794-Y796 HydrophobicContact CG1-CD2 4.28Å; V794-Y796 HydrophobicContact CG1-CE1 4.24Å; V794-Y796 HydrophobicContact CG1-CE2 3.9Å; V794-Y796 PolarHBondContact O-N 2.81Å
795S24.5Very low30.8Very low104 Ų104137.7 Ų137.773%0.72771%0.711SS**  trans-80.5107.7167.657.20000108.9K793 P797K793-S795 PolarHBondContact O-N 3.09Å; S795-P797 VanDerWaalsContact O-CD 3.32Å; S795-P797 WeakPolarHBondContact O-CD 3.43Å
796Y31.7Very low31.5Very low146 Ų146131 Ų13157%0.57368%0.68SS**  trans-70.3117.7170.6-63.6-90.8000109V794 L798V794-Y796 HydrophobicContact CB-CE2 4.4Å; V794-Y796 HydrophobicContact CG1-CD2 4.28Å; V794-Y796 HydrophobicContact CG1-CE1 4.24Å; V794-Y796 HydrophobicContact CG1-CE2 3.9Å; V794-Y796 PolarHBondContact O-N 2.81Å; Y796-L798 PolarHBondContact O-N 2.89Å
797P28.9Very low32.5Very low113 Ų113129.1 Ų129.173%0.73466%0.66SS**  trans-77.989.7178.231.7-32000109.2S795 K799S795-P797 VanDerWaalsContact O-CD 3.32Å; S795-P797 WeakPolarHBondContact O-CD 3.43Å; P797-K799 PolarHBondContact O-N 3.1Å
798L34.3Very low33.5Very low113 Ų113125.2 Ų125.259%0.59263%0.633SS**  trans-66.276.7172.9-72.3167.3000110.8Y796 G800 F802Y796-L798 PolarHBondContact O-N 2.89Å; L798-G800 PolarHBondContact O-N 2.67Å; L798-F802 HydrophobicContact CD2-CD2 4.08Å; L798-F802 HydrophobicContact CD2-CE2 3.73Å; L798-F802 HydrophobicContact CD2-CZ 4.3Å
799K30.2Very low34.3Very low208 Ų208118.8 Ų118.890%0.90460%0.6SS**  trans-82.983.5170.9-84.6-170.5172.4-177.10110.1P797P797-K799 PolarHBondContact O-N 3.1Å
800G34.9Very low35.3Very low43 Ų43114.7 Ų114.744%0.44358%0.579SS.*SBendtrans175.9148.3171.600000111.4L798 F802L798-G800 PolarHBondContact O-N 2.67Å; G800-F802 PolarHBondContact O-N 2.81Å
801N35.1Very low36.5Very low176 Ų176109.7 Ų109.794%0.94156%0.557SS**  trans-73.475.6170.2-85.4-10.3000109.5L803N801-L803 PolarHBondContact O-N 3.09Å
802F39.3Very low37.7Very low84 Ų84102.3 Ų102.337%0.36852%0.518SS..  trans-66.8129.6171.8-78.2-86.2000110L798 G800 Q806L798-F802 HydrophobicContact CD2-CD2 4.08Å; L798-F802 HydrophobicContact CD2-CE2 3.73Å; L798-F802 HydrophobicContact CD2-CZ 4.3Å; G800-F802 PolarHBondContact O-N 2.81Å; F802-Q806 HydrophobicContact CD1-CB 3.74Å; F802-Q806 HydrophobicContact CD1-CG 4.39Å; F802-Q806 HydrophobicContact CE1-CB 4.47Å
803L41.7Very low38.9Very low105 Ų10597 Ų9755%0.5549%0.493SS..  trans-72143.9166.2-76.6120.4000109N801 Y805 Q806N801-L803 PolarHBondContact O-N 3.09Å; L803-Y805 HydrophobicContact CB-CD1 3.56Å; L803-Y805 HydrophobicContact CB-CE1 3.26Å; L803-Y805 HydrophobicContact CD1-CE1 3.96Å; L803-Y805 HydrophobicContact CD2-CE1 4.12Å; L803-Y805 HydrophobicContact CG-CE1 3.96Å; L803-Y805 PolarHBondContact O-N 3.13Å; L803-Q806 PolarHBondContact O-N 3.13Å
804N40.4Very low40.5Very low136 Ų13691.1 Ų91.173%0.72747%0.465SS*.Hα-helixtrans-50.6-27.9-173.4-81.7-29.9000115I808N804-I808 WeakPolarHBondContact O-CD1 3.3Å; N804-I808 WeakPolarHBondContact O-CG1 3.38Å; N804-I808 PolarHBondContact O-N 3.42Å
805Y43.3Very low41.9Very low99 Ų9987.3 Ų87.339%0.38844%0.441SS..Hα-helixtrans-66.8-37177.768-95.6000112.8L803 L807 I808 D809L803-Y805 HydrophobicContact CB-CD1 3.56Å; L803-Y805 HydrophobicContact CB-CE1 3.26Å; L803-Y805 HydrophobicContact CD1-CE1 3.96Å; L803-Y805 HydrophobicContact CD2-CE1 4.12Å; L803-Y805 HydrophobicContact CG-CE1 3.96Å; L803-Y805 PolarHBondContact O-N 3.13Å; Y805-L807 PolarHBondContact O-N 3.02Å; Y805-I808 CarbonylContact O-C 3.42Å; Y805-I808 WeakPolarHBondContact O-CA 3.3Å; Y805-I808 WeakPolarHBondContact O-CB 3.48Å; Y805-I808 PolarHBondContact O-N 3.38Å; Y805-I808 VanDerWaalsContact O-N 3.07Å; Y805-D809 VanDerWaalsContact O-CG 3.32Å; Y805-D809 PolarHBondContact O-N 3.47Å
806Q40.8Very low43.2Very low41 Ų4186.5 Ų86.519%0.19242%0.422CS..Hα-helixtrans-65.5-39.9-177.7-60.5176.4-66.500111.4F802 L803 I808 D809 Y810F802-Q806 HydrophobicContact CD1-CB 3.74Å; F802-Q806 HydrophobicContact CD1-CG 4.39Å; F802-Q806 HydrophobicContact CE1-CB 4.47Å; L803-Q806 PolarHBondContact O-N 3.13Å; Q806-I808 VanDerWaalsContact C-N 3.34Å; Q806-D809 PolarHBondContact O-N 2.7Å; Q806-Y810 PolarHBondContact O-N 3.37Å
807L45.2Very low44.7Very low80 Ų8080.6 Ų80.642%0.41940%0.4SS..Hα-helixtrans-66.3-37173.2-176.565.3000111.7Y805 L811Y805-L807 PolarHBondContact O-N 3.02Å; L807-L811 VanDerWaalsContact O-CG 3.26Å; L807-L811 WeakPolarHBondContact O-CG 3.3Å; L807-L811 PolarHBondContact O-N 2.81Å; L807-L811 VanDerWaalsContact O-N 3.16Å
808I48.1Very low46.3Very low57 Ų5779.6 Ų79.629%0.29239%0.388SS..Hα-helixtrans-63.7-48.1174.3-69164.7000109.7N804 Y805 Q806 Y810 L811 V812N804-I808 WeakPolarHBondContact O-CD1 3.3Å; N804-I808 WeakPolarHBondContact O-CG1 3.38Å; N804-I808 PolarHBondContact O-N 3.42Å; Y805-I808 CarbonylContact O-C 3.42Å; Y805-I808 WeakPolarHBondContact O-CA 3.3Å; Y805-I808 WeakPolarHBondContact O-CB 3.48Å; Y805-I808 PolarHBondContact O-N 3.38Å; Y805-I808 VanDerWaalsContact O-N 3.07Å; Q806-I808 VanDerWaalsContact C-N 3.34Å; I808-Y810 PolarHBondContact O-N 3.4Å; I808-L811 CarbonylContact O-C 3.56Å; I808-L811 WeakPolarHBondContact O-CA 3.36Å; I808-L811 WeakPolarHBondContact O-CB 3.48Å; I808-L811 PolarHBondContact O-N 3.47Å; I808-V812 HydrophobicContact CG2-CG2 4.13Å; I808-V812 WeakPolarHBondContact O-CG2 3.13Å; I808-V812 PolarHBondContact O-N 3.24Å
809D43.4Very low47.7Very low14 Ų1478.4 Ų78.48%0.07538%0.379CS..Hα-helixtrans-63.9-37.5-178.4-66.6-32.9000112.5P356 H413 Y805 Q806 L811 V812 W813P356-D809 WeakPolarHBondContact CB-OD1 3.07Å; H413-D809 IonicContact CE1-OD1 3.9Å; Y805-D809 VanDerWaalsContact O-CG 3.32Å; Y805-D809 PolarHBondContact O-N 3.47Å; Q806-D809 PolarHBondContact O-N 2.7Å; D809-L811 PolarHBondContact O-N 3.24Å; D809-V812 WeakPolarHBondContact O-CB 3.43Å; D809-V812 PolarHBondContact O-N 2.82Å; D809-W813 PolarHBondContact O-N 2.8Å
810Y47.4Very low49.3Very low66 Ų6673.7 Ų73.726%0.25936%0.36SS..Hα-helixtrans-59-46.5168.7171.8-101.8000112D760 Q806 I808 V812 W813 R814D760-Y810 HydrophobicContact CB-CD2 4.38Å; D760-Y810 WeakPolarHBondContact OD2-CD2 3.49Å; Q806-Y810 PolarHBondContact O-N 3.37Å; I808-Y810 PolarHBondContact O-N 3.4Å; Y810-V812 VanDerWaalsContact C-N 3.27Å; Y810-V812 PolarHBondContact O-N 3.42Å; Y810-W813 HydrophobicContact CE2-CZ3 4.39Å; Y810-W813 PolarHBondContact O-N 3.44Å; Y810-R814 VanDerWaalsContact O-CB 3.31Å; Y810-R814 WeakPolarHBondContact O-CB 2.98Å; Y810-R814 PolarHBondContact O-N 3.27Å
811L51.7Low51Low49 Ų4976.5 Ų76.526%0.25736%0.36SS..Hα-helixtrans-67.2-27.6177.3-65.2179.3000112.6I360 L807 I808 D809 N815I360-L811 HydrophobicContact CG2-CB 4.44Å; L807-L811 VanDerWaalsContact O-CG 3.26Å; L807-L811 WeakPolarHBondContact O-CG 3.3Å; L807-L811 PolarHBondContact O-N 2.81Å; L807-L811 VanDerWaalsContact O-N 3.16Å; I808-L811 CarbonylContact O-C 3.56Å; I808-L811 WeakPolarHBondContact O-CA 3.36Å; I808-L811 WeakPolarHBondContact O-CB 3.48Å; I808-L811 PolarHBondContact O-N 3.47Å; D809-L811 PolarHBondContact O-N 3.24Å; L811-N815 WeakPolarHBondContact O-CB 3.21Å; L811-N815 PolarHBondContact O-N 3.08Å; L811-N815 VanDerWaalsContact O-N 3.08Å
812V52.7Low52.8Low12 Ų1272.5 Ų72.57%0.07334%0.339CS..Hα-helixtrans-66.5-55.8174169.20000110.4I360 I808 D809 Y810 R814 N815 R816I360-V812 HydrophobicContact CB-CB 4.4Å; I360-V812 HydrophobicContact CB-CG2 3.71Å; I360-V812 HydrophobicContact CD1-CB 4.39Å; I360-V812 HydrophobicContact CD1-CG1 4Å; I360-V812 HydrophobicContact CD1-CG2 3.89Å; I360-V812 HydrophobicContact CG1-CB 3.88Å; I360-V812 HydrophobicContact CG1-CG1 3.9Å; I360-V812 HydrophobicContact CG1-CG2 3.57Å; I360-V812 HydrophobicContact CG2-CB 4.18Å; I360-V812 HydrophobicContact CG2-CG2 3.74Å; I808-V812 HydrophobicContact CG2-CG2 4.13Å; I808-V812 WeakPolarHBondContact O-CG2 3.13Å; I808-V812 PolarHBondContact O-N 3.24Å; D809-V812 WeakPolarHBondContact O-CB 3.43Å; D809-V812 PolarHBondContact O-N 2.82Å; Y810-V812 VanDerWaalsContact C-N 3.27Å; Y810-V812 PolarHBondContact O-N 3.42Å; V812-R814 PolarHBondContact O-N 2.99Å; V812-N815 PolarHBondContact O-N 2.82Å; V812-R816 PolarHBondContact O-N 2.84Å
813W50.6Low54.1Low78 Ų7873.5 Ų73.530%0.29534%0.344SS..Hα-helixtrans-61.4-44.8-179.5171.488.1000111.4N764 D809 Y810 N815 R816 E817N764-W813 HydrophobicContact CB-CH2 3.68Å; N764-W813 HydrophobicContact CB-CZ2 3.55Å; N764-W813 WeakPolarHBondContact ND2-CH2 3.24Å; N764-W813 WeakPolarHBondContact ND2-CZ2 3.26Å; D809-W813 PolarHBondContact O-N 2.8Å; Y810-W813 HydrophobicContact CE2-CZ3 4.39Å; Y810-W813 PolarHBondContact O-N 3.44Å; W813-N815 VanDerWaalsContact C-N 3.33Å; W813-N815 PolarHBondContact O-N 2.63Å; W813-R816 WeakPolarHBondContact O-CB 3.4Å; W813-R816 PolarHBondContact O-N 3.44Å; W813-E817 PolarHBondContact O-N 3.01Å
814R57.8Low55.5Low83 Ų8372.1 Ų72.131%0.31334%0.335SS..Hα-helixtrans-65.2-33.7178.4-17157167-172.8-6.7112.7Y810 V812 E817 L818Y810-R814 VanDerWaalsContact O-CB 3.31Å; Y810-R814 WeakPolarHBondContact O-CB 2.98Å; Y810-R814 PolarHBondContact O-N 3.27Å; V812-R814 PolarHBondContact O-N 2.99Å; R814-E817 VanDerWaalsContact CD-OE2 3.23Å; R814-E817 WeakPolarHBondContact CD-OE2 3.4Å; R814-E817 IonicContact CZ-OE2 3.47Å; R814-E817 IonicContact NE-OE2 3.39Å; R814-E817 IonicContact NH1-OE1 3.99Å; R814-E817 PolarHBondContact NH1-OE1 2.75Å; R814-E817 IonicContact NH1-OE2 3.66Å; R814-E817 PolarHBondContact NH1-OE2 3.15Å; R814-L818 HydrophobicContact CG-CD1 4.44Å; R814-L818 WeakPolarHBondContact O-CB 2.92Å; R814-L818 WeakPolarHBondContact O-CD1 2.96Å; R814-L818 WeakPolarHBondContact O-CG 3.43Å; R814-L818 PolarHBondContact O-N 3.17Å
815N57.3Low56.9Low26 Ų2668.7 Ų68.714%0.13932%0.319CS..Hα-helixtrans-63.9-43.8169.6-91.59.8000111.3I360 R364 L811 V812 W813 L818 E819I360-N815 PolarHBondContact O-ND2 2.68Å; I360-N815 VanDerWaalsContact O-ND2 3.14Å; R364-N815 PolarHBondContact NE-OD1 3.35Å; R364-N815 PolarHBondContact NH2-OD1 3.17Å; L811-N815 WeakPolarHBondContact O-CB 3.21Å; L811-N815 PolarHBondContact O-N 3.08Å; L811-N815 VanDerWaalsContact O-N 3.08Å; V812-N815 PolarHBondContact O-N 2.82Å; W813-N815 VanDerWaalsContact C-N 3.33Å; W813-N815 PolarHBondContact O-N 2.63Å; N815-L818 CarbonylContact O-C 3.53Å; N815-L818 PolarHBondContact O-N 2.66Å; N815-E819 WeakPolarHBondContact O-CG 3.02Å; N815-E819 PolarHBondContact O-N 3.41Å
816R52.7Low58.5Low87 Ų8769.2 Ų69.233%0.32833%0.325SS..Hα-helixtrans-66.1-39.9-178-163.2179.2-171.8-173.93.4112.4W315 V812 W813 L818 E819 Q820W315-R816 VanDerWaalsContact CH2-NH1 3.32Å; W315-R816 VanDerWaalsContact CZ2-NH1 3.28Å; V812-R816 PolarHBondContact O-N 2.84Å; W813-R816 WeakPolarHBondContact O-CB 3.4Å; W813-R816 PolarHBondContact O-N 3.44Å; R816-L818 VanDerWaalsContact C-N 3.33Å; R816-E819 PolarHBondContact O-N 3.48Å; R816-Q820 PolarHBondContact O-N 3.07Å
817E62.9Low59.8Low22 Ų2272.3 Ų72.310%0.10334%0.339CS..Hα-helixtrans-60.8-41.6171.9-172.2-157.5161.700111.7N764 W813 R814 Q820 K821N764-E817 PolarHBondContact ND2-OE1 2.85Å; N764-E817 PolarHBondContact ND2-OE2 3.13Å; N764-E817 VanDerWaalsContact ND2-OE2 3.11Å; W813-E817 PolarHBondContact O-N 3.01Å; R814-E817 VanDerWaalsContact CD-OE2 3.23Å; R814-E817 WeakPolarHBondContact CD-OE2 3.4Å; R814-E817 IonicContact CZ-OE2 3.47Å; R814-E817 IonicContact NE-OE2 3.39Å; R814-E817 IonicContact NH1-OE1 3.99Å; R814-E817 PolarHBondContact NH1-OE1 2.75Å; R814-E817 IonicContact NH1-OE2 3.66Å; R814-E817 PolarHBondContact NH1-OE2 3.15Å; E817-Q820 PolarHBondContact O-N 3.39Å; E817-K821 HydrophobicContact CG-CD 4.38Å; E817-K821 WeakPolarHBondContact O-CB 3.21Å; E817-K821 WeakPolarHBondContact O-CG 2.89Å; E817-K821 PolarHBondContact O-N 3.11Å; E817-K821 IonicContact OE1-NZ 2.65Å; E817-K821 PolarHBondContact OE1-NZ 3.19Å
818L62Low61Low92 Ų9276.3 Ų76.348%0.48235%0.349SS..Hα-helixtrans-69.2-36.7175.6-71.4169.6000112.3R814 N815 R816 K821 L822R814-L818 HydrophobicContact CG-CD1 4.44Å; R814-L818 WeakPolarHBondContact O-CB 2.92Å; R814-L818 WeakPolarHBondContact O-CD1 2.96Å; R814-L818 WeakPolarHBondContact O-CG 3.43Å; R814-L818 PolarHBondContact O-N 3.17Å; N815-L818 CarbonylContact O-C 3.53Å; N815-L818 PolarHBondContact O-N 2.66Å; R816-L818 VanDerWaalsContact C-N 3.33Å; L818-K821 PolarHBondContact O-N 2.85Å; L818-L822 VanDerWaalsContact O-CB 3.24Å; L818-L822 WeakPolarHBondContact O-CB 2.86Å; L818-L822 PolarHBondContact O-N 3.08Å
819E64.3Low62.1Low88 Ų8878.4 Ų78.441%0.41136%0.36SS..Hα-helixtrans-65.6-38.6173.4-75.7-177.5163.200111.7R363 N815 R816 L822 H823R363-E819 IonicContact CZ-OE1 3.64Å; R363-E819 IonicContact NH1-OE1 2.8Å; R363-E819 PolarHBondContact NH1-OE1 3.15Å; N815-E819 WeakPolarHBondContact O-CG 3.02Å; N815-E819 PolarHBondContact O-N 3.41Å; R816-E819 PolarHBondContact O-N 3.48Å; E819-L822 PolarHBondContact O-N 3.04Å; E819-H823 PolarHBondContact O-N 3.13Å
820Q63.2Low63.5Low110 Ų11079.8 Ų79.851%0.51437%0.371SS..Hα-helixtrans-64.8-48.9173-178.5177-18.400111.5R816 E817 L822 H823 E824R816-Q820 PolarHBondContact O-N 3.07Å; E817-Q820 PolarHBondContact O-N 3.39Å; Q820-L822 PolarHBondContact O-N 3.24Å; Q820-H823 WeakPolarHBondContact O-CB 3.12Å; Q820-H823 PolarHBondContact O-N 3.1Å; Q820-H823 VanDerWaalsContact O-N 3.08Å; Q820-E824 WeakPolarHBondContact CG-OE1 3.35Å; Q820-E824 PolarHBondContact NE2-OE1 3.07Å; Q820-E824 WeakPolarHBondContact O-CG 3.43Å; Q820-E824 PolarHBondContact O-N 3.15Å
821K70.3Confident64.5Low102 Ų10283 Ų8344%0.44339%0.39SS..Hα-helixtrans-60.7-32.6175.3-74.3172.6174.7174.80112.3E817 L818 T825E817-K821 HydrophobicContact CG-CD 4.38Å; E817-K821 WeakPolarHBondContact O-CB 3.21Å; E817-K821 WeakPolarHBondContact O-CG 2.89Å; E817-K821 PolarHBondContact O-N 3.11Å; E817-K821 IonicContact OE1-NZ 2.65Å; E817-K821 PolarHBondContact OE1-NZ 3.19Å; L818-K821 PolarHBondContact O-N 2.85Å; K821-T825 WeakPolarHBondContact O-CB 2.94Å; K821-T825 WeakPolarHBondContact O-CG2 3.48Å; K821-T825 PolarHBondContact O-N 3.42Å; K821-T825 PolarHBondContact O-OG1 3.09Å
822L73.2Confident65.4Low92 Ų9288.7 Ų88.748%0.48241%0.409SS..Hα-helixtrans-68.5-42.5172.8-175.865.5000111.8L818 E819 Q820 T825 Q826L818-L822 VanDerWaalsContact O-CB 3.24Å; L818-L822 WeakPolarHBondContact O-CB 2.86Å; L818-L822 PolarHBondContact O-N 3.08Å; E819-L822 PolarHBondContact O-N 3.04Å; Q820-L822 PolarHBondContact O-N 3.24Å; L822-T825 WeakPolarHBondContact CA-OG1 3.06Å; L822-T825 PolarHBondContact O-N 3.03Å; L822-T825 PolarHBondContact O-OG1 3.44Å; L822-T825 VanDerWaalsContact O-OG1 3.05Å; L822-Q826 WeakPolarHBondContact O-CB 3.36Å; L822-Q826 VanDerWaalsContact O-CG 3.24Å; L822-Q826 WeakPolarHBondContact O-CG 3.31Å; L822-Q826 PolarHBondContact O-N 3.07Å
823H68.2Low66.2Low105 Ų10593.5 Ų93.549%0.48643%0.431SS..Hα-helixtrans-63.2-47.8175.8-170-76.2000111.6E819 Q820 T825 Q826 E827E819-H823 PolarHBondContact O-N 3.13Å; Q820-H823 WeakPolarHBondContact O-CB 3.12Å; Q820-H823 PolarHBondContact O-N 3.1Å; Q820-H823 VanDerWaalsContact O-N 3.08Å; H823-T825 VanDerWaalsContact C-N 3.3Å; H823-T825 PolarHBondContact O-N 2.91Å; H823-Q826 PolarHBondContact O-N 3.24Å; H823-E827 IonicContact CE1-OE1 2.81Å; H823-E827 PolarHBondContact CE1-OE1 3.16Å; H823-E827 IonicContact CE1-OE2 3.99Å; H823-E827 IonicContact ND1-OE1 3.45Å; H823-E827 IonicContact ND1-OE2 3.93Å; H823-E827 PolarHBondContact ND1-OE2 3.02Å; H823-E827 PolarHBondContact O-N 3.43Å
824E70.6Confident66.9Low75 Ų7595.4 Ų95.435%0.3544%0.441SS..Hα-helixtrans-60-38.7177-70.4170.2-166.200112.1Q820 R828Q820-E824 WeakPolarHBondContact CG-OE1 3.35Å; Q820-E824 PolarHBondContact NE2-OE1 3.07Å; Q820-E824 WeakPolarHBondContact O-CG 3.43Å; Q820-E824 PolarHBondContact O-N 3.15Å; E824-R828 WeakPolarHBondContact O-CB 3.06Å; E824-R828 VanDerWaalsContact O-CG 3.31Å; E824-R828 WeakPolarHBondContact O-CG 3.45Å; E824-R828 PolarHBondContact O-N 3.05Å
825T69.5Low67.1Low65 Ų6593.9 Ų93.940%0.39945%0.446SS..Hα-helixtrans-74.4-33175.446.80000113K821 L822 H823 R828 L829K821-T825 WeakPolarHBondContact O-CB 2.94Å; K821-T825 WeakPolarHBondContact O-CG2 3.48Å; K821-T825 PolarHBondContact O-N 3.42Å; K821-T825 PolarHBondContact O-OG1 3.09Å; L822-T825 WeakPolarHBondContact CA-OG1 3.06Å; L822-T825 PolarHBondContact O-N 3.03Å; L822-T825 PolarHBondContact O-OG1 3.44Å; L822-T825 VanDerWaalsContact O-OG1 3.05Å; H823-T825 VanDerWaalsContact C-N 3.3Å; H823-T825 PolarHBondContact O-N 2.91Å; T825-R828 PolarHBondContact O-N 2.8Å; T825-L829 WeakPolarHBondContact O-CB 3.27Å; T825-L829 PolarHBondContact O-N 3.46Å
826Q75.8Confident67.1Low109 Ų10997.5 Ų97.551%0.50947%0.466SS..Hα-helixtrans-67.2-40.1172-77175-3.700112.4L822 H823 L829 S830L822-Q826 WeakPolarHBondContact O-CB 3.36Å; L822-Q826 VanDerWaalsContact O-CG 3.24Å; L822-Q826 WeakPolarHBondContact O-CG 3.31Å; L822-Q826 PolarHBondContact O-N 3.07Å; H823-Q826 PolarHBondContact O-N 3.24Å; Q826-L829 PolarHBondContact O-N 2.97Å; Q826-S830 PolarHBondContact O-N 3.47Å
827E70Confident67.2Low106 Ų106100 Ų10050%0.49548%0.479SS..Hα-helixtrans-64.7-43.9173.1-74.7-173136.700111.4H823 L829 S830 M831H823-E827 IonicContact CE1-OE1 2.81Å; H823-E827 PolarHBondContact CE1-OE1 3.16Å; H823-E827 IonicContact CE1-OE2 3.99Å; H823-E827 IonicContact ND1-OE1 3.45Å; H823-E827 IonicContact ND1-OE2 3.93Å; H823-E827 PolarHBondContact ND1-OE2 3.02Å; H823-E827 PolarHBondContact O-N 3.43Å; E827-L829 PolarHBondContact O-N 3.47Å; E827-S830 PolarHBondContact O-N 3.32Å; E827-M831 VanDerWaalsContact O-CG 3.3Å; E827-M831 WeakPolarHBondContact O-CG 3.44Å; E827-M831 PolarHBondContact O-N 2.98Å
828R70.2Confident66.6Low164 Ų164104.9 Ų104.962%0.61951%0.505SS*.Hα-helixtrans-58.3-46.3172.4-76174.8176.8175.61.8111.8E824 T825 S830 M831 Y832E824-R828 WeakPolarHBondContact O-CB 3.06Å; E824-R828 VanDerWaalsContact O-CG 3.31Å; E824-R828 WeakPolarHBondContact O-CG 3.45Å; E824-R828 PolarHBondContact O-N 3.05Å; T825-R828 PolarHBondContact O-N 2.8Å; R828-S830 PolarHBondContact O-N 3.27Å; R828-M831 WeakPolarHBondContact O-CB 3.25Å; R828-M831 PolarHBondContact O-N 3.39Å; R828-M831 VanDerWaalsContact O-N 3.16Å; R828-Y832 HydrophobicContact CB-CE2 4.36Å; R828-Y832 WeakPolarHBondContact O-CD2 3.37Å; R828-Y832 PolarHBondContact O-N 3.34Å
829L71Confident66Low102 Ų102108.6 Ų108.653%0.53452%0.519SS..Hα-helixtrans-59.1-44174.6-87.7159.7000112.2T825 Q826 E827 M831 Y832 E833T825-L829 WeakPolarHBondContact O-CB 3.27Å; T825-L829 PolarHBondContact O-N 3.46Å; Q826-L829 PolarHBondContact O-N 2.97Å; E827-L829 PolarHBondContact O-N 3.47Å; L829-M831 VanDerWaalsContact C-N 3.27Å; L829-M831 PolarHBondContact O-N 3.38Å; L829-Y832 PolarHBondContact O-N 3.06Å; L829-E833 PolarHBondContact O-N 3.37Å
830S72.8Confident65.2Low43 Ų43110.7 Ų110.730%0.30153%0.533SS..Hα-helixtrans-62.4-34.3175.7-172.70000112.6Q826 E827 R828 K834Q826-S830 PolarHBondContact O-N 3.47Å; E827-S830 PolarHBondContact O-N 3.32Å; R828-S830 PolarHBondContact O-N 3.27Å; S830-K834 WeakPolarHBondContact O-CB 3.22Å; S830-K834 WeakPolarHBondContact O-CD 2.84Å; S830-K834 WeakPolarHBondContact O-CG 3.49Å; S830-K834 PolarHBondContact O-N 3.13Å; S830-K834 VanDerWaalsContact O-N 3.14Å; S830-K834 PolarHBondContact OG-NZ 2.94Å
831M68.1Low64.1Low132 Ų132114 Ų11465%0.6556%0.56SS**Hα-helixtrans-69.9-41.3174.2-66.9-72.4-87.600111.5E827 R828 L829 K834 A835E827-M831 VanDerWaalsContact O-CG 3.3Å; E827-M831 WeakPolarHBondContact O-CG 3.44Å; E827-M831 PolarHBondContact O-N 2.98Å; R828-M831 WeakPolarHBondContact O-CB 3.25Å; R828-M831 PolarHBondContact O-N 3.39Å; R828-M831 VanDerWaalsContact O-N 3.16Å; L829-M831 VanDerWaalsContact C-N 3.27Å; L829-M831 PolarHBondContact O-N 3.38Å; M831-K834 PolarHBondContact O-N 3.46Å; M831-A835 PolarHBondContact O-N 3.22Å
832Y70Confident63.8Low170 Ų170114.6 Ų114.667%0.66757%0.566SS**Hα-helixtrans-64.4-46173.4-71.9-62.5000112.3R828 L829 K834 A835 D836R828-Y832 HydrophobicContact CB-CE2 4.36Å; R828-Y832 WeakPolarHBondContact O-CD2 3.37Å; R828-Y832 PolarHBondContact O-N 3.34Å; L829-Y832 PolarHBondContact O-N 3.06Å; Y832-K834 PolarHBondContact O-N 3.26Å; Y832-A835 WeakPolarHBondContact O-CB 3.05Å; Y832-A835 PolarHBondContact O-N 2.86Å; Y832-D836 PolarHBondContact O-N 3.32Å
833E69.4Low63.3Low112 Ų112115.7 Ų115.752%0.52357%0.571SS.*Hα-helixtrans-60.6-30.7175.6-75-173.4178.600113.2L829 K837L829-E833 PolarHBondContact O-N 3.37Å; E833-K837 WeakPolarHBondContact O-CD 3.33Å; E833-K837 VanDerWaalsContact O-CG 3.3Å; E833-K837 WeakPolarHBondContact O-CG 3.35Å; E833-K837 PolarHBondContact O-N 3.43Å
834K66.2Low63Low119 Ų119116.3 Ų116.352%0.51758%0.575SS.*Hα-helixtrans-74.1-36.7173.1-75.1165.1-175.1154.80111.8S830 M831 Y832 I838S830-K834 WeakPolarHBondContact O-CB 3.22Å; S830-K834 WeakPolarHBondContact O-CD 2.84Å; S830-K834 WeakPolarHBondContact O-CG 3.49Å; S830-K834 PolarHBondContact O-N 3.13Å; S830-K834 VanDerWaalsContact O-N 3.14Å; S830-K834 PolarHBondContact OG-NZ 2.94Å; M831-K834 PolarHBondContact O-N 3.46Å; Y832-K834 PolarHBondContact O-N 3.26Å; K834-I838 WeakPolarHBondContact O-CD1 3.14Å; K834-I838 VanDerWaalsContact O-CG1 3.32Å; K834-I838 WeakPolarHBondContact O-CG1 3.38Å; K834-I838 PolarHBondContact O-N 3.24Å
835A62.1Low62.6Low51 Ų51118.8 Ų118.842%0.42159%0.589SS.*Hα-helixtrans-69.6-42.6175.700000112.2M831 Y832 K837 I838 E839M831-A835 PolarHBondContact O-N 3.22Å; Y832-A835 WeakPolarHBondContact O-CB 3.05Å; Y832-A835 PolarHBondContact O-N 2.86Å; A835-K837 PolarHBondContact O-N 3.18Å; A835-I838 WeakPolarHBondContact O-CA 3.2Å; A835-I838 WeakPolarHBondContact O-CB 3.23Å; A835-I838 PolarHBondContact O-N 2.9Å; A835-E839 PolarHBondContact O-N 3.41Å; A835-E839 VanDerWaalsContact O-N 3.07Å
836D56.8Low62.2Low101 Ų101122.1 Ų122.154%0.5460%0.6SS.*Hα-helixtrans-62-33.5177.3-124.814.5000111.6Y832 I838 N840Y832-D836 PolarHBondContact O-N 3.32Å; D836-I838 PolarHBondContact O-N 2.86Å; D836-N840 WeakPolarHBondContact O-CB 3.47Å; D836-N840 PolarHBondContact O-N 3.3Å; D836-N840 PolarHBondContact O-ND2 3.23Å
837K54.2Low61.3Low140 Ų140123 Ų12361%0.60961%0.607SS**Hα-helixtrans-73.9-9.2172.1-74.5170-175.6159.10114.2E833 A835 V841E833-K837 WeakPolarHBondContact O-CD 3.33Å; E833-K837 VanDerWaalsContact O-CG 3.3Å; E833-K837 WeakPolarHBondContact O-CG 3.35Å; E833-K837 PolarHBondContact O-N 3.43Å; A835-K837 PolarHBondContact O-N 3.18Å; K837-V841 VanDerWaalsContact O-CG2 3.3Å; K837-V841 WeakPolarHBondContact O-CG2 3.43Å
838I51.8Low60.6Low125 Ų125124.2 Ų124.264%0.64161%0.614SS**Hα-helixtrans-99.4-28.4175.2-67165.1000111.1K834 A835 D836K834-I838 WeakPolarHBondContact O-CD1 3.14Å; K834-I838 VanDerWaalsContact O-CG1 3.32Å; K834-I838 WeakPolarHBondContact O-CG1 3.38Å; K834-I838 PolarHBondContact O-N 3.24Å; A835-I838 WeakPolarHBondContact O-CA 3.2Å; A835-I838 WeakPolarHBondContact O-CB 3.23Å; A835-I838 PolarHBondContact O-N 2.9Å; D836-I838 PolarHBondContact O-N 2.86Å
839E48.5Very low59.9Low170 Ų170121.2 Ų121.279%0.79461%0.614SS**Hα-helixtrans-80-17.6170.5-75.7-163.613800113.8A835A835-E839 PolarHBondContact O-N 3.41Å; A835-E839 VanDerWaalsContact O-N 3.07Å
840N48.1Very low59Low131 Ų131122.8 Ų122.870%0.70162%0.621SS**THydrogen-bonded Turntrans-97.214.3176.5-73.3-75.3000114.6D836D836-N840 WeakPolarHBondContact O-CB 3.47Å; D836-N840 PolarHBondContact O-N 3.3Å; D836-N840 PolarHBondContact O-ND2 3.23Å
841V39.6Very low57.7Low179 Ų179130 Ų130100%1.08565%0.65SS**  trans-125.10176.11740000110.6K837K837-V841 VanDerWaalsContact O-CG2 3.3Å; K837-V841 WeakPolarHBondContact O-CG2 3.43Å

Retrieved 841 of 841 residues in 1367.2 ms (Link to these results)

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