A0A077ZDQ7_TRITR Loading...

branched-chain-amino-acid transaminase

Acts on leucine, isoleucine and valine.

AlphaFold DB , UniProt , Accession A0A077ZDQ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 309 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
1M37.4Very low78.6Confident239 Ų23986.5 Ų86.5100%1.17744%0.44SS*.  0114.60-73.3174.1176.800107.1T3M1-T3 PolarHBondContact O-N 3.32Å; M1-T3 VanDerWaalsContact O-N 3.09Å
2T48.8Very low80.1Confident143 Ų14385.1 Ų85.188%0.87743%0.434SS*.  trans-63.5109.1170.337.40000107.3K4T2-K4 PolarHBondContact O-N 2.91Å
3T55.3Low81.4Confident123 Ų12382.4 Ų82.476%0.75544%0.44SS*.  trans-55.9110.4174.47.60000107.6M1 K5M1-T3 PolarHBondContact O-N 3.32Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-K5 WeakPolarHBondContact O-CG 3.39Å; T3-K5 PolarHBondContact O-N 3.41Å; T3-K5 VanDerWaalsContact O-N 3.15Å
4K59.8Low82.6Confident122 Ų12286.4 Ų86.453%0.5346%0.455SS..  trans-57.1120175.5-177175.5176.9-177.80107.5T2 A6 D7T2-K4 PolarHBondContact O-N 2.91Å; K4-A6 WeakPolarHBondContact CE-O 3.19Å; K4-A6 WeakPolarHBondContact CG-O 3.34Å; K4-D7 WeakPolarHBondContact CE-OD1 3.24Å; K4-D7 IonicContact NZ-OD1 2.69Å; K4-D7 PolarHBondContact NZ-OD1 3.19Å
5K82.4Confident83.6Confident96 Ų9684.7 Ų84.742%0.41744%0.444SS..  trans-91-29.7-173.8-67.9-167.1177.8-175.70112.9T3 W18 F125 P126T3-K5 WeakPolarHBondContact O-CG 3.39Å; T3-K5 PolarHBondContact O-N 3.41Å; T3-K5 VanDerWaalsContact O-N 3.15Å; K5-W18 HydrophobicContact CB-CH2 4Å; K5-W18 HydrophobicContact CB-CZ2 4.3Å; K5-W18 HydrophobicContact CB-CZ3 4.39Å; K5-F125 HydrophobicContact CB-CB 3.73Å; K5-F125 HydrophobicContact CB-CG 4.25Å; K5-F125 HydrophobicContact CD-CD2 4.16Å; K5-F125 HydrophobicContact CD-CG 4.2Å; K5-P126 WeakPolarHBondContact O-CD 3.17Å
6A92.7Very high84.5Confident11 Ų1181.3 Ų81.39%0.09143%0.428CS..  trans-160173.8177.400000110K4 W18 N90 A124 F125K4-A6 WeakPolarHBondContact CE-O 3.19Å; K4-A6 WeakPolarHBondContact CG-O 3.34Å; A6-W18 HydrophobicContact CB-CE3 3.81Å; A6-W18 HydrophobicContact CB-CZ3 3.87Å; A6-N90 HydrophobicContact CB-CB 4.49Å; A6-A124 VanDerWaalsContact CB-O 3.27Å; A6-A124 WeakPolarHBondContact CB-O 3.33Å; A6-F125 HydrophobicContact CB-CB 4.42Å
7D95.7Very high85.2Confident73 Ų7384.4 Ų84.439%0.3943%0.433SS..SBendtrans-93.8-37.8-178.6-70.8-41.2000113K4 W18 N90K4-D7 WeakPolarHBondContact CE-OD1 3.24Å; K4-D7 IonicContact NZ-OD1 2.69Å; K4-D7 PolarHBondContact NZ-OD1 3.19Å; D7-W18 PolarHBondContact O-N 2.51Å; D7-N90 PolarHBondContact N-OD1 2.9Å
8Y98Very high85.8Confident77 Ų7784 Ų8430%0.30243%0.425SS..EExtended strand (participates in β ladder)trans-129.4150.5-172.1-60.8-86.8000112.6V16 R17 K89 N90Y8-V16 CarbonylContact C-O 3.48Å; Y8-V16 VanDerWaalsContact CA-O 3.28Å; Y8-V16 WeakPolarHBondContact CA-O 3.36Å; Y8-R17 HydrophobicContact CE1-CG 4.37Å; Y8-K89 HydrophobicContact CD2-CD 4.39Å; Y8-K89 HydrophobicContact CD2-CG 3.65Å; Y8-K89 HydrophobicContact CE2-CG 4.27Å; Y8-K89 HydrophobicContact CG-CG 3.83Å; Y8-N90 PolarHBondContact N-OD1 2.89Å; Y8-N90 PolarHBondContact O-ND2 3.42Å
9I98.1Very high86.2Confident14 Ų1483.5 Ų83.57%0.07242%0.421CS..EExtended strand (participates in β ladder)trans-125.9139.4169.9-69.4176.3000107V16 W18 A21 I121 A123I9-V16 HydrophobicContact CB-CG2 4.4Å; I9-V16 PolarHBondContact N-O 3.5Å; I9-V16 WeakPolarHBondContact O-CG2 3.44Å; I9-V16 PolarHBondContact O-N 2.94Å; I9-W18 HydrophobicContact CD1-CD2 3.85Å; I9-W18 HydrophobicContact CD1-CE3 3.67Å; I9-W18 HydrophobicContact CD1-CG 4.34Å; I9-W18 HydrophobicContact CD1-CH2 4.5Å; I9-W18 HydrophobicContact CD1-CZ3 4.02Å; I9-W18 HydrophobicContact CG1-CD2 4.28Å; I9-W18 HydrophobicContact CG1-CE3 3.69Å; I9-W18 HydrophobicContact CG1-CZ3 4.1Å; I9-A21 HydrophobicContact CB-CB 4.17Å; I9-A21 HydrophobicContact CD1-CB 3.85Å; I9-A21 HydrophobicContact CG2-CB 4.25Å; I9-I121 HydrophobicContact CG2-CB 4.23Å; I9-A123 HydrophobicContact CD1-CB 4.25Å; I9-A123 HydrophobicContact CG1-CB 4.08Å
10W98.6Very high86.7Confident23 Ų2383.9 Ų83.99%0.08742%0.424CS..EExtended strand (participates in β ladder)trans-81.9129.5168.2-176.1105.2000108.8G13 E14 M15 Q74 A82 V86 V120 I121 I122W10-G13 VanDerWaalsContact CE2-CA 3.48Å; W10-E14 CarbonylContact C-O 3.52Å; W10-E14 WeakPolarHBondContact CA-O 3.49Å; W10-M15 HydrophobicContact CB-CE 4.22Å; W10-M15 HydrophobicContact CB-SD 4.02Å; W10-Q74 HydrophobicContact CH2-CG 4.35Å; W10-A82 HydrophobicContact CD2-CB 3.86Å; W10-A82 HydrophobicContact CG-CB 4.06Å; W10-A82 HydrophobicContact CZ2-CB 3.98Å; W10-V86 HydrophobicContact CB-CG2 3.27Å; W10-V86 HydrophobicContact CG-CG2 4.36Å; W10-V120 HydrophobicContact CZ3-CB 3.98Å; W10-V120 HydrophobicContact CZ3-CG1 3.88Å; W10-V120 WeakPolarHBondContact CZ3-O 3.47Å; W10-I121 CarbonylContact O-C 3.52Å; W10-I121 VanDerWaalsContact O-CA 3.23Å; W10-I121 WeakPolarHBondContact O-CA 3.41Å; W10-I122 HydrophobicContact CB-CB 4.29Å; W10-I122 HydrophobicContact CE3-CD1 4.18Å; W10-I122 HydrophobicContact CE3-CG1 4.31Å; W10-I122 PolarHBondContact N-O 2.81Å; W10-I122 PolarHBondContact O-N 3.34Å
11F98.2Very high87.2Confident31 Ų3181.3 Ų81.314%0.13642%0.416CS..EExtended strand (participates in β ladder)trans-138.7114.8-177-161.1-39.3000108.4G13 E14 V16 A21 V23 F102 D119 I121F11-G13 PolarHBondContact O-N 3.12Å; F11-G13 VanDerWaalsContact O-N 3.1Å; F11-E14 PolarHBondContact N-O 2.72Å; F11-E14 PolarHBondContact O-N 3.02Å; F11-V16 HydrophobicContact CB-CG1 4.34Å; F11-V16 HydrophobicContact CB-CG2 3.8Å; F11-V16 HydrophobicContact CD2-CG2 4.38Å; F11-A21 HydrophobicContact CD2-CB 4.19Å; F11-V23 HydrophobicContact CE2-CG1 4.36Å; F11-V23 HydrophobicContact CZ-CG1 4.09Å; F11-F102 HydrophobicContact CZ-CZ 4.08Å; F11-D119 HydrophobicContact CE1-CB 4.18Å; F11-I121 HydrophobicContact CB-CG2 4.02Å; F11-I121 HydrophobicContact CD1-CG2 3.75Å; F11-I121 HydrophobicContact CD2-CG2 3.37Å; F11-I121 HydrophobicContact CE1-CG2 3.97Å; F11-I121 HydrophobicContact CE2-CG2 3.62Å; F11-I121 HydrophobicContact CG-CG2 3.43Å; F11-I121 VanDerWaalsContact CG-CG2 3.43Å; F11-I121 HydrophobicContact CZ-CG2 3.91Å
12N96.9Very high90Very high69 Ų6977 Ų7737%0.36939%0.391SS..THydrogen-bonded Turntrans48.438.9175.4-70.2-17.5000115D119 V120N12-D119 PolarHBondContact ND2-OD1 3.43Å; N12-D119 WeakPolarHBondContact OD1-CA 3.35Å; N12-V120 PolarHBondContact N-O 2.82Å; N12-V120 PolarHBondContact OD1-N 3.3Å; N12-V120 PolarHBondContact OD1-O 2.7Å
13G96.8Very high92.3Very high50 Ų5073.3 Ų73.352%0.51537%0.368SS..THydrogen-bonded Turntrans99.6-10179.900000114.9W10 F11W10-G13 VanDerWaalsContact CE2-CA 3.48Å; F11-G13 PolarHBondContact O-N 3.12Å; F11-G13 VanDerWaalsContact O-N 3.1Å
14E97.7Very high94.3Very high138 Ų13872.5 Ų72.565%0.64536%0.355SS*.EExtended strand (participates in β ladder)trans-118145.1-174.3-60.9-172170.100112.6W10 F11 V16W10-E14 CarbonylContact C-O 3.52Å; W10-E14 WeakPolarHBondContact CA-O 3.49Å; F11-E14 PolarHBondContact N-O 2.72Å; F11-E14 PolarHBondContact O-N 3.02Å; E14-V16 HydrophobicContact CB-CG1 4.43Å; E14-V16 PolarHBondContact O-N 3.41Å
15M98Very high96.1Very high61 Ų6171.6 Ų71.630%0.336%0.359SS..EExtended strand (participates in β ladder)trans-84.5104.8168.7-73.3-65.8-178.400109.7W10 D85 V86 K89W10-M15 HydrophobicContact CB-CE 4.22Å; W10-M15 HydrophobicContact CB-SD 4.02Å; M15-D85 HydrophobicContact CE-CB 3.39Å; M15-V86 HydrophobicContact CE-CB 4.38Å; M15-V86 HydrophobicContact CE-CG2 3.74Å; M15-V86 HydrophobicContact SD-CG2 4.11Å; M15-K89 HydrophobicContact CE-CB 4.21Å; M15-K89 HydrophobicContact CG-CG 4.41Å; M15-K89 HydrophobicContact SD-CB 4.39Å; M15-K89 HydrophobicContact SD-CG 4.31Å
16V97.7Very high96.8Very high30 Ų3070.5 Ų70.518%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-101.2153.2177.1-59.40000110.4Y8 I9 F11 E14 A21Y8-V16 CarbonylContact C-O 3.48Å; Y8-V16 VanDerWaalsContact CA-O 3.28Å; Y8-V16 WeakPolarHBondContact CA-O 3.36Å; I9-V16 HydrophobicContact CB-CG2 4.4Å; I9-V16 PolarHBondContact N-O 3.5Å; I9-V16 WeakPolarHBondContact O-CG2 3.44Å; I9-V16 PolarHBondContact O-N 2.94Å; F11-V16 HydrophobicContact CB-CG1 4.34Å; F11-V16 HydrophobicContact CB-CG2 3.8Å; F11-V16 HydrophobicContact CD2-CG2 4.38Å; E14-V16 HydrophobicContact CB-CG1 4.43Å; E14-V16 PolarHBondContact O-N 3.41Å; V16-A21 HydrophobicContact CG2-CB 3.83Å
17R97Very high97Very high135 Ų13570.2 Ų70.251%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-63.7145.4172.5-64.5176.864.4161.20.6109.5Y8 E19 D20 A21Y8-R17 HydrophobicContact CE1-CG 4.37Å; R17-E19 HydrophobicContact CB-CG 4.43Å; R17-E19 IonicContact CZ-OE1 3.15Å; R17-E19 IonicContact NE-OE1 2.69Å; R17-E19 PolarHBondContact NE-OE1 3.44Å; R17-E19 IonicContact NH2-OE1 3.86Å; R17-E19 PolarHBondContact NH2-OE1 2.81Å; R17-E19 PolarHBondContact O-N 3.43Å; R17-E19 VanDerWaalsContact O-N 3.16Å; R17-D20 HydrophobicContact CB-CB 4.34Å; R17-D20 PolarHBondContact O-N 3.35Å; R17-A21 PolarHBondContact O-N 3.36Å
18W95.2Very high97.1Very high77 Ų7766.9 Ų66.929%0.29234%0.336SS..THydrogen-bonded Turntrans-49.2-44.9-178.7-178.1-75.6000112.9K5 A6 D7 I9 D20 A123 F125K5-W18 HydrophobicContact CB-CH2 4Å; K5-W18 HydrophobicContact CB-CZ2 4.3Å; K5-W18 HydrophobicContact CB-CZ3 4.39Å; A6-W18 HydrophobicContact CB-CE3 3.81Å; A6-W18 HydrophobicContact CB-CZ3 3.87Å; D7-W18 PolarHBondContact O-N 2.51Å; I9-W18 HydrophobicContact CD1-CD2 3.85Å; I9-W18 HydrophobicContact CD1-CE3 3.67Å; I9-W18 HydrophobicContact CD1-CG 4.34Å; I9-W18 HydrophobicContact CD1-CH2 4.5Å; I9-W18 HydrophobicContact CD1-CZ3 4.02Å; I9-W18 HydrophobicContact CG1-CD2 4.28Å; I9-W18 HydrophobicContact CG1-CE3 3.69Å; I9-W18 HydrophobicContact CG1-CZ3 4.1Å; W18-D20 VanDerWaalsContact C-N 3.3Å; W18-D20 PolarHBondContact O-N 2.72Å; W18-A123 HydrophobicContact CZ3-CB 4.37Å; W18-F125 AromaticContact CH2-CD1 3.94Å; W18-F125 HydrophobicContact CH2-CD1 3.94Å; W18-F125 HydrophobicContact CZ3-CD1 4.21Å
19E94.5Very high97.1Very high74 Ų7464.1 Ų64.135%0.34633%0.329SS..THydrogen-bonded Turntrans-73.3-15.4-18059.7-91.4-151.400115.1R17 K22R17-E19 HydrophobicContact CB-CG 4.43Å; R17-E19 IonicContact CZ-OE1 3.15Å; R17-E19 IonicContact NE-OE1 2.69Å; R17-E19 PolarHBondContact NE-OE1 3.44Å; R17-E19 IonicContact NH2-OE1 3.86Å; R17-E19 PolarHBondContact NH2-OE1 2.81Å; R17-E19 PolarHBondContact O-N 3.43Å; R17-E19 VanDerWaalsContact O-N 3.16Å; E19-K22 WeakPolarHBondContact O-CE 3.48Å; E19-K22 PolarHBondContact O-NZ 3.21Å
20D96.2Very high97.1Very high92 Ų9268.8 Ų68.849%0.49235%0.354SS..THydrogen-bonded Turntrans-97.7-12.5-180-64.2-33000112.1R17 W18 K22R17-D20 HydrophobicContact CB-CB 4.34Å; R17-D20 PolarHBondContact O-N 3.35Å; W18-D20 VanDerWaalsContact C-N 3.3Å; W18-D20 PolarHBondContact O-N 2.72Å; D20-K22 PolarHBondContact O-N 3.17Å
21A96Very high97Very high30 Ų3072.2 Ų72.225%0.24837%0.371CS..  trans-69.972.3172.100000111.5I9 F11 V16 R17I9-A21 HydrophobicContact CB-CB 4.17Å; I9-A21 HydrophobicContact CD1-CB 3.85Å; I9-A21 HydrophobicContact CG2-CB 4.25Å; F11-A21 HydrophobicContact CD2-CB 4.19Å; V16-A21 HydrophobicContact CG2-CB 3.83Å; R17-A21 PolarHBondContact O-N 3.36Å
22K96.5Very high96.9Very high149 Ų14975.2 Ų75.265%0.64838%0.382SS*.  trans-114.7154-176.2-66.9174176.81360111E19 D20E19-K22 WeakPolarHBondContact O-CE 3.48Å; E19-K22 PolarHBondContact O-NZ 3.21Å; D20-K22 PolarHBondContact O-N 3.17Å
23V97.1Very high96.9Very high65 Ų6573.1 Ų73.139%0.39438%0.376SS..  trans-125.7156.3171.5-60.10000109.2F11 L30 F102F11-V23 HydrophobicContact CE2-CG1 4.36Å; F11-V23 HydrophobicContact CZ-CG1 4.09Å; V23-L30 HydrophobicContact CG2-CD1 4.29Å; V23-F102 HydrophobicContact CG1-CE2 3.68Å; V23-F102 HydrophobicContact CG1-CZ 3.66Å
24H97.3Very high96.9Very high106 Ų10671.7 Ų71.749%0.49136%0.358SS..  trans-68.9147.1176.7-168.6-116.9000110.5M26 S27 D105H24-M26 WeakPolarHBondContact CE1-CG 3.27Å; H24-M26 WeakPolarHBondContact ND1-CB 3.46Å; H24-M26 WeakPolarHBondContact ND1-CG 3.33Å; H24-M26 PolarHBondContact ND1-N 2.8Å; H24-M26 PolarHBondContact O-N 3.38Å; H24-S27 WeakPolarHBondContact O-CB 3.43Å; H24-S27 PolarHBondContact O-N 2.93Å; H24-S27 PolarHBondContact O-OG 2.87Å; H24-D105 HydrophobicContact CB-CB 4.28Å; H24-D105 IonicContact CE1-OD2 3.24Å; H24-D105 IonicContact CG-OD2 2.83Å; H24-D105 IonicContact ND1-OD2 2.7Å; H24-D105 PolarHBondContact ND1-OD2 3.15Å
25V96.8Very high97Very high102 Ų10266 Ų6662%0.61833%0.333SS*.THydrogen-bonded Turntrans-63.6-14.9179.9-65.70000113.1S27 H31V25-S27 VanDerWaalsContact C-N 3.34Å; V25-H31 PolarHBondContact O-NE2 3.04Å
26M97.1Very high97Very high74 Ų7463 Ų6337%0.36532%0.318SS..THydrogen-bonded Turntrans-895.1174.7-56.6-58.9-64.700113.6H24 H28 M108H24-M26 WeakPolarHBondContact CE1-CG 3.27Å; H24-M26 WeakPolarHBondContact ND1-CB 3.46Å; H24-M26 WeakPolarHBondContact ND1-CG 3.33Å; H24-M26 PolarHBondContact ND1-N 2.8Å; H24-M26 PolarHBondContact O-N 3.38Å; M26-H28 PolarHBondContact O-N 3.06Å; M26-M108 HydrophobicContact CE-CE 3.44Å; M26-M108 VanDerWaalsContact CE-CE 3.44Å
27S98.1Very high97Very high4 Ų462.2 Ų62.23%0.02831%0.313CS..  trans-56.6128175.6-67.60000111.7H24 V25 A29 L30 H31 G104H24-S27 WeakPolarHBondContact O-CB 3.43Å; H24-S27 PolarHBondContact O-N 2.93Å; H24-S27 PolarHBondContact O-OG 2.87Å; V25-S27 VanDerWaalsContact C-N 3.34Å; S27-A29 PolarHBondContact O-N 3.28Å; S27-A29 VanDerWaalsContact O-N 3.15Å; S27-L30 WeakPolarHBondContact O-CB 3.23Å; S27-L30 PolarHBondContact O-N 3.17Å; S27-H31 PolarHBondContact O-CD2 2.89Å; S27-G104 WeakPolarHBondContact CA-O 3.44Å
28H98Very high97.1Very high3 Ų355.8 Ų55.81%0.01429%0.288CS..Hα-helixtrans-56.3-36.9-173.3-171.9-75.4000112.3M26 L30 H31 Y32 T34 V103 G104 V106 G109 V110M26-H28 PolarHBondContact O-N 3.06Å; H28-L30 PolarHBondContact O-N 2.92Å; H28-H31 PolarHBondContact O-N 2.61Å; H28-H31 VanDerWaalsContact O-N 3.11Å; H28-Y32 AromaticContact CD2-CD2 3.61Å; H28-Y32 AromaticContact CD2-CE2 3.99Å; H28-Y32 AromaticContact CE1-CD2 3.43Å; H28-Y32 VanDerWaalsContact CE1-CD2 3.43Å; H28-Y32 WeakPolarHBondContact CE1-CD2 3.49Å; H28-Y32 AromaticContact CE1-CG 3.71Å; H28-Y32 AromaticContact CG-CD2 3.75Å; H28-Y32 AromaticContact ND1-CD2 3.64Å; H28-Y32 AromaticContact NE2-CD2 3.43Å; H28-Y32 WeakPolarHBondContact NE2-CD2 3.36Å; H28-Y32 AromaticContact NE2-CE2 3.94Å; H28-Y32 PolarHBondContact O-N 2.83Å; H28-T34 WeakPolarHBondContact CE1-CG2 3.46Å; H28-T34 VanDerWaalsContact ND1-CG2 3.26Å; H28-T34 WeakPolarHBondContact ND1-CG2 3.29Å; H28-T34 PolarHBondContact ND1-OG1 3.24Å; H28-V103 HydrophobicContact CB-CB 3.97Å; H28-V103 HydrophobicContact CB-CG1 3.72Å; H28-V103 PolarHBondContact N-O 2.83Å; H28-G104 WeakPolarHBondContact CB-O 3.46Å; H28-G104 PolarHBondContact N-O 2.81Å; H28-V106 HydrophobicContact CB-CG2 4.12Å; H28-G109 PolarHBondContact CD2-O 3.34Å; H28-G109 PolarHBondContact NE2-O 2.96Å; H28-V110 PolarHBondContact CE1-O 2.8Å; H28-V110 PolarHBondContact NE2-O 2.82Å
29A97.9Very high97.2Very high20 Ų2052.2 Ų52.217%0.16528%0.275CS..Hα-helixtrans-60.1-29.6176.100000114.4S27 G33 T34 F102 V103S27-A29 PolarHBondContact O-N 3.28Å; S27-A29 VanDerWaalsContact O-N 3.15Å; A29-G33 WeakPolarHBondContact O-CA 3.44Å; A29-G33 PolarHBondContact O-N 3.37Å; A29-T34 WeakPolarHBondContact CA-OG1 3.21Å; A29-T34 PolarHBondContact N-OG1 2.85Å; A29-F102 HydrophobicContact CB-CB 3.85Å; A29-F102 HydrophobicContact CB-CD2 4.24Å; A29-F102 HydrophobicContact CB-CG 4.48Å; A29-V103 WeakPolarHBondContact CB-O 3.43Å; A29-V103 PolarHBondContact N-O 2.78Å
30L97Very high97.4Very high112 Ų11248.7 Ų48.759%0.58626%0.258SS*.Hα-helixtrans-72.7-29.4176.7-66.1175.5000112.4V23 S27 H28V23-L30 HydrophobicContact CG2-CD1 4.29Å; S27-L30 WeakPolarHBondContact O-CB 3.23Å; S27-L30 PolarHBondContact O-N 3.17Å; H28-L30 PolarHBondContact O-N 2.92Å
31H96.4Very high97.4Very high95 Ų9545.2 Ų45.244%0.4424%0.239SC..Hα-helixtrans-96.7-29.5-175.9-64.2-80.1000113V25 S27 H28V25-H31 PolarHBondContact O-NE2 3.04Å; S27-H31 PolarHBondContact O-CD2 2.89Å; H28-H31 PolarHBondContact O-N 2.61Å; H28-H31 VanDerWaalsContact O-N 3.11Å
32Y96.2Very high97.5Very high93 Ų9343.8 Ų43.837%0.36523%0.227SC..Hα-helixtrans-127.90.6-170.7-58.3-72.6000114.3H28 T34 M108 G109 V110H28-Y32 AromaticContact CD2-CD2 3.61Å; H28-Y32 AromaticContact CD2-CE2 3.99Å; H28-Y32 AromaticContact CE1-CD2 3.43Å; H28-Y32 VanDerWaalsContact CE1-CD2 3.43Å; H28-Y32 WeakPolarHBondContact CE1-CD2 3.49Å; H28-Y32 AromaticContact CE1-CG 3.71Å; H28-Y32 AromaticContact CG-CD2 3.75Å; H28-Y32 AromaticContact ND1-CD2 3.64Å; H28-Y32 AromaticContact NE2-CD2 3.43Å; H28-Y32 WeakPolarHBondContact NE2-CD2 3.36Å; H28-Y32 AromaticContact NE2-CE2 3.94Å; H28-Y32 PolarHBondContact O-N 2.83Å; Y32-T34 PolarHBondContact O-N 3.19Å; Y32-M108 HydrophobicContact CE2-SD 4.1Å; Y32-M108 PolarHBondContact OH-SD 2.96Å; Y32-G109 WeakPolarHBondContact CE2-O 3.42Å; Y32-V110 HydrophobicContact CE1-CG2 3.96Å
33G96.7Very high97.5Very high25 Ų2537.7 Ų37.726%0.25820%0.2SC..  trans67.220.7177.700000114.6A29 S35 G163A29-G33 WeakPolarHBondContact O-CA 3.44Å; A29-G33 PolarHBondContact O-N 3.37Å; G33-S35 PolarHBondContact O-N 2.86Å; G33-G163 PolarHBondContact O-N 2.93Å
34T97.8Very high97.4Very high21 Ų2139.1 Ų39.113%0.12921%0.205CC..  trans-74.872.9-179.952.10000112.1H28 A29 Y32 F70 F102 V103H28-T34 WeakPolarHBondContact CE1-CG2 3.46Å; H28-T34 VanDerWaalsContact ND1-CG2 3.26Å; H28-T34 WeakPolarHBondContact ND1-CG2 3.29Å; H28-T34 PolarHBondContact ND1-OG1 3.24Å; A29-T34 WeakPolarHBondContact CA-OG1 3.21Å; A29-T34 PolarHBondContact N-OG1 2.85Å; Y32-T34 PolarHBondContact O-N 3.19Å; T34-F70 HydrophobicContact CG2-CE1 4.34Å; T34-F70 HydrophobicContact CG2-CZ 4.11Å; T34-F102 WeakPolarHBondContact O-CA 3.42Å; T34-V103 PolarHBondContact O-N 2.83Å
35S98.6Very high97.3Very high17 Ų1734.7 Ų34.712%0.11919%0.186CC..EExtended strand (participates in β ladder)trans-147.2152.8175.764.40000111.5G33 I101 A161 G162G33-S35 PolarHBondContact O-N 2.86Å; S35-I101 CarbonylContact C-O 3.5Å; S35-I101 WeakPolarHBondContact CA-O 3.41Å; S35-I101 WeakPolarHBondContact CB-O 3.18Å; S35-A161 CarbonylContact O-C 3.55Å; S35-A161 VanDerWaalsContact O-CA 3.22Å; S35-A161 WeakPolarHBondContact O-CA 3.28Å; S35-A161 WeakPolarHBondContact O-CB 3.44Å; S35-G162 PolarHBondContact O-N 2.88Å
36V98.8Very high97.3Very high0 Ų034.5 Ų34.50%018%0.178CC..EExtended strand (participates in β ladder)trans-128145.9169.7-63.70000109L61 A65 Y68 F70 L100 I101 K160 A161V36-L61 HydrophobicContact CB-CD1 4.38Å; V36-L61 HydrophobicContact CG2-CD1 3.93Å; V36-A65 HydrophobicContact CG2-CB 3.95Å; V36-Y68 HydrophobicContact CG1-CD2 4.18Å; V36-F70 HydrophobicContact CG1-CD2 4.13Å; V36-F70 HydrophobicContact CG1-CE2 4.05Å; V36-F70 HydrophobicContact CG2-CD2 4.42Å; V36-L100 WeakPolarHBondContact O-CA 3.49Å; V36-I101 HydrophobicContact CG2-CB 3.85Å; V36-I101 HydrophobicContact CG2-CD1 4.44Å; V36-I101 HydrophobicContact CG2-CG1 4.46Å; V36-I101 PolarHBondContact N-O 2.93Å; V36-I101 PolarHBondContact O-N 2.69Å; V36-K160 WeakPolarHBondContact CA-O 3.32Å; V36-A161 HydrophobicContact CG1-CB 4.03Å
37F98.8Very high97.1Very high13 Ų1336 Ų366%0.05718%0.183CC..EExtended strand (participates in β ladder)trans-146.7164.6-171.667.9-90.5000112.4R98 P99 L100 K160 Y165F37-R98 VanDerWaalsContact CD2-NH1 3.25Å; F37-P99 CarbonylContact C-O 3.51Å; F37-P99 VanDerWaalsContact CA-O 3.24Å; F37-P99 WeakPolarHBondContact CA-O 3.43Å; F37-P99 WeakPolarHBondContact CB-O 3.4Å; F37-L100 HydrophobicContact CB-CB 4.44Å; F37-L100 HydrophobicContact CB-CD1 3.71Å; F37-K160 HydrophobicContact CD2-CD 4.45Å; F37-K160 HydrophobicContact CD2-CG 4.39Å; F37-K160 HydrophobicContact CE1-CG 4.47Å; F37-K160 HydrophobicContact CE2-CD 4.29Å; F37-K160 HydrophobicContact CE2-CG 4.11Å; F37-K160 HydrophobicContact CZ-CG 4.17Å; F37-K160 PolarHBondContact N-O 3.07Å; F37-K160 VanDerWaalsContact O-CD 3.32Å; F37-K160 WeakPolarHBondContact O-CD 3.43Å; F37-K160 WeakPolarHBondContact O-CG 3.31Å; F37-Y165 AromaticContact CE1-CD2 3.68Å; F37-Y165 HydrophobicContact CE1-CD2 3.68Å; F37-Y165 AromaticContact CE1-CE2 3.86Å; F37-Y165 HydrophobicContact CE1-CE2 3.86Å; F37-Y165 HydrophobicContact CE1-CG 4.08Å; F37-Y165 HydrophobicContact CE2-CE1 4.37Å; F37-Y165 HydrophobicContact CE2-CE2 4.34Å; F37-Y165 AromaticContact CZ-CD1 3.84Å; F37-Y165 HydrophobicContact CZ-CD1 3.84Å; F37-Y165 AromaticContact CZ-CD2 3.52Å; F37-Y165 HydrophobicContact CZ-CD2 3.52Å; F37-Y165 AromaticContact CZ-CE1 3.69Å; F37-Y165 HydrophobicContact CZ-CE1 3.69Å; F37-Y165 AromaticContact CZ-CE2 3.37Å; F37-Y165 HydrophobicContact CZ-CE2 3.37Å; F37-Y165 AromaticContact CZ-CG 3.78Å; F37-Y165 HydrophobicContact CZ-CG 3.78Å; F37-Y165 AromaticContact CZ-CZ 3.47Å; F37-Y165 VanDerWaalsContact CZ-CZ 3.47Å
38E98.5Very high97Very high0 Ų037.1 Ų37.10%020%0.195CC..  trans-121.2158.5168-85.3-59.4150.600112.6I40 H57 R60 L61 R98 P99E38-I40 HydrophobicContact CB-CD1 4.11Å; E38-I40 HydrophobicContact CB-CG1 3.97Å; E38-H57 HydrophobicContact CG-CB 4.27Å; E38-H57 WeakPolarHBondContact CG-O 3.33Å; E38-H57 IonicContact OE2-CE1 3.9Å; E38-H57 IonicContact OE2-CG 3.62Å; E38-H57 IonicContact OE2-ND1 2.89Å; E38-H57 PolarHBondContact OE2-ND1 2.97Å; E38-R60 VanDerWaalsContact CD-NH2 3.32Å; E38-R60 IonicContact OE1-CZ 2.63Å; E38-R60 VanDerWaalsContact OE1-CZ 3.29Å; E38-R60 IonicContact OE1-NE 2.82Å; E38-R60 PolarHBondContact OE1-NE 3.18Å; E38-R60 IonicContact OE1-NH2 3.85Å; E38-R60 PolarHBondContact OE1-NH2 2.8Å; E38-R60 VanDerWaalsContact OE1-NH2 3.07Å; E38-R60 IonicContact OE2-CZ 3.42Å; E38-R60 IonicContact OE2-NE 2.66Å; E38-R60 IonicContact OE2-NH2 3.36Å; E38-R60 PolarHBondContact OE2-NH2 2.61Å; E38-L61 HydrophobicContact CG-CB 3.97Å; E38-L61 HydrophobicContact CG-CD1 4.41Å; E38-R98 WeakPolarHBondContact O-CD 3.5Å; E38-R98 PolarHBondContact O-NE 3.13Å; E38-P99 HydrophobicContact CB-CB 4.38Å; E38-P99 HydrophobicContact CB-CG 4.21Å; E38-P99 PolarHBondContact N-O 2.75Å
39G97.2Very high97Very high1 Ų137.6 Ų37.61%0.0120%0.198CC..  trans-127.1118.8167.100000107.2H57 Y96 T258G39-H57 PolarHBondContact O-CE1 2.81Å; G39-Y96 VanDerWaalsContact CA-OH 3.23Å; G39-Y96 WeakPolarHBondContact CA-OH 3.23Å; G39-T258 VanDerWaalsContact O-CB 3.29Å; G39-T258 WeakPolarHBondContact O-CB 3.36Å; G39-T258 WeakPolarHBondContact O-CG2 3.46Å; G39-T258 PolarHBondContact O-OG1 3.37Å; G39-T258 VanDerWaalsContact O-OG1 3.07Å
40I98.1Very high97Very high0 Ų036.7 Ų36.70%019%0.191CC..EExtended strand (participates in β ladder)trans-131.2143.1-170.2-40177.3000108.7E38 V51 H57 M58 Y96 I97 P99E38-I40 HydrophobicContact CB-CD1 4.11Å; E38-I40 HydrophobicContact CB-CG1 3.97Å; I40-V51 HydrophobicContact CG2-CG1 3.43Å; I40-V51 VanDerWaalsContact CG2-CG1 3.43Å; I40-H57 HydrophobicContact CD1-CB 3.66Å; I40-H57 HydrophobicContact CG1-CB 3.91Å; I40-M58 HydrophobicContact CD1-CE 3.21Å; I40-Y96 CarbonylContact O-C 3.51Å; I40-Y96 WeakPolarHBondContact O-CA 3.37Å; I40-I97 HydrophobicContact CB-CB 4.06Å; I40-I97 HydrophobicContact CB-CD1 4.15Å; I40-I97 HydrophobicContact CB-CG1 4.36Å; I40-I97 HydrophobicContact CG2-CD1 4.22Å; I40-I97 PolarHBondContact N-O 3.35Å; I40-I97 PolarHBondContact O-N 3.49Å; I40-P99 HydrophobicContact CD1-CG 3.83Å
41R97.1Very high97Very high20 Ų2031.3 Ų31.38%0.07516%0.163CC..EExtended strand (participates in β ladder)trans-103.6130.2174.2-72.3-73.5-79.1163.9-12.8110.4Y43 F52 W127 T258 E261R41-Y43 HydrophobicContact CB-CD2 3.98Å; R41-Y43 HydrophobicContact CB-CE1 4.3Å; R41-Y43 HydrophobicContact CB-CE2 3.29Å; R41-Y43 VanDerWaalsContact CB-CZ 3.48Å; R41-Y43 HydrophobicContact CG-CE2 4.27Å; R41-F52 PolarHBondContact O-N 3.15Å; R41-F52 VanDerWaalsContact O-N 3.12Å; R41-W127 PolarHBondContact NH1-O 3.16Å; R41-T258 HydrophobicContact CB-CG2 4.22Å; R41-T258 HydrophobicContact CG-CG2 3.58Å; R41-T258 VanDerWaalsContact CG-O 3.25Å; R41-T258 WeakPolarHBondContact CG-O 3.48Å; R41-E261 IonicContact CZ-OE1 3.1Å; R41-E261 IonicContact NE-OE1 3.14Å; R41-E261 PolarHBondContact NE-OE1 3.14Å; R41-E261 IonicContact NH2-OE1 3.28Å; R41-E261 PolarHBondContact NH2-OE1 2.85Å
42C97.3Very high97.1Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-98.8124.9159.2179.50000108.2V50 V51 I87 S94 A95 I97C42-V50 CarbonylContact C-O 3.54Å; C42-V50 WeakPolarHBondContact CA-O 3.36Å; C42-V50 PolarHBondContact SG-O 3.36Å; C42-V51 HydrophobicContact CB-CG2 4.37Å; C42-I87 HydrophobicContact CB-CD1 3.97Å; C42-S94 CarbonylContact O-C 3.58Å; C42-S94 VanDerWaalsContact O-CA 3.29Å; C42-S94 WeakPolarHBondContact O-CA 3.46Å; C42-S94 PolarHBondContact O-OG 3.35Å; C42-A95 HydrophobicContact CB-CB 4.14Å; C42-A95 PolarHBondContact N-O 3.38Å; C42-A95 PolarHBondContact O-N 3.46Å; C42-I97 HydrophobicContact CB-CD1 4.41Å
43Y96Very high97.2Very high20 Ų2023.3 Ų23.38%0.07813%0.128CC..EExtended strand (participates in β ladder)trans-107139.4178.4-62.6-88.3000109.6R41 S45 P49 V50 F52 T93 E261 F293R41-Y43 HydrophobicContact CB-CD2 3.98Å; R41-Y43 HydrophobicContact CB-CE1 4.3Å; R41-Y43 HydrophobicContact CB-CE2 3.29Å; R41-Y43 VanDerWaalsContact CB-CZ 3.48Å; R41-Y43 HydrophobicContact CG-CE2 4.27Å; Y43-S45 PolarHBondContact O-N 3.13Å; Y43-P49 WeakPolarHBondContact O-CA 3.3Å; Y43-V50 PolarHBondContact N-O 3.23Å; Y43-V50 PolarHBondContact O-N 3.32Å; Y43-F52 HydrophobicContact CD2-CB 4.12Å; Y43-F52 HydrophobicContact CE2-CB 3.85Å; Y43-F52 HydrophobicContact CE2-CG 4.48Å; Y43-T93 CarbonylContact C-O 3.55Å; Y43-E261 WeakPolarHBondContact CE1-OE1 3.18Å; Y43-E261 PolarHBondContact OH-OE1 2.84Å; Y43-F293 HydrophobicContact CD1-CD2 4.03Å; Y43-F293 HydrophobicContact CD1-CE2 4.18Å; Y43-F293 HydrophobicContact CD1-CG 4.22Å; Y43-F293 HydrophobicContact CD1-CZ 4.49Å; Y43-F293 AromaticContact CD2-CD1 3.65Å; Y43-F293 HydrophobicContact CD2-CD1 3.65Å; Y43-F293 HydrophobicContact CD2-CD2 4.29Å; Y43-F293 AromaticContact CD2-CE1 3.27Å; Y43-F293 HydrophobicContact CD2-CE1 3.27Å; Y43-F293 AromaticContact CD2-CE2 3.98Å; Y43-F293 HydrophobicContact CD2-CE2 3.98Å; Y43-F293 HydrophobicContact CD2-CG 4.15Å; Y43-F293 AromaticContact CD2-CZ 3.47Å; Y43-F293 HydrophobicContact CD2-CZ 3.47Å; Y43-F293 VanDerWaalsContact CD2-CZ 3.47Å; Y43-F293 HydrophobicContact CE1-CD2 4.25Å; Y43-F293 HydrophobicContact CE1-CE2 4.01Å; Y43-F293 HydrophobicContact CE1-CZ 4.38Å; Y43-F293 HydrophobicContact CE2-CD1 4.34Å; Y43-F293 HydrophobicContact CE2-CD2 4.47Å; Y43-F293 AromaticContact CE2-CE1 3.62Å; Y43-F293 HydrophobicContact CE2-CE1 3.62Å; Y43-F293 AromaticContact CE2-CE2 3.77Å; Y43-F293 HydrophobicContact CE2-CE2 3.77Å; Y43-F293 AromaticContact CE2-CZ 3.29Å; Y43-F293 HydrophobicContact CE2-CZ 3.29Å; Y43-F293 AromaticContact CG-CD1 3.72Å; Y43-F293 HydrophobicContact CG-CD1 3.72Å; Y43-F293 HydrophobicContact CG-CD2 4.04Å; Y43-F293 AromaticContact CG-CE1 3.84Å; Y43-F293 HydrophobicContact CG-CE1 3.84Å; Y43-F293 HydrophobicContact CG-CE2 4.16Å; Y43-F293 AromaticContact CG-CG 3.84Å; Y43-F293 HydrophobicContact CG-CG 3.84Å; Y43-F293 HydrophobicContact CG-CZ 4.07Å; Y43-F293 AromaticContact CZ-CE2 3.78Å; Y43-F293 AromaticContact CZ-CZ 3.79Å
44D95.4Very high97.3Very high95 Ų9522.3 Ų22.351%0.50812%0.117SC..EExtended strand (participates in β ladder)trans-76110.5165.2-162.7-4.1000107.2T93D44-T93 WeakPolarHBondContact CA-O 3.44Å; D44-T93 PolarHBondContact N-O 2.79Å; D44-T93 WeakPolarHBondContact OD2-CB 3.48Å; D44-T93 PolarHBondContact OD2-OG1 3.37Å; D44-T93 VanDerWaalsContact OD2-OG1 3.11Å
45S95.7Very high97.3Very high14 Ų1427.1 Ų27.110%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-119.1172.2-168.580.60000111.9Y43 K47 G48 V50 F293Y43-S45 PolarHBondContact O-N 3.13Å; S45-K47 PolarHBondContact O-N 3.1Å; S45-K47 PolarHBondContact OG-N 2.86Å; S45-K47 VanDerWaalsContact OG-N 3.11Å; S45-G48 WeakPolarHBondContact CB-O 3.4Å; S45-G48 PolarHBondContact N-O 3.38Å; S45-G48 PolarHBondContact O-N 3.47Å; S45-G48 PolarHBondContact OG-O 3.27Å; S45-V50 WeakPolarHBondContact OG-CG1 3.23Å; S45-V50 WeakPolarHBondContact OG-CG2 3.5Å; S45-F293 CarbonylContact C-O 3.59Å; S45-F293 VanDerWaalsContact CA-O 3.24Å; S45-F293 WeakPolarHBondContact CA-O 3.37Å; S45-F293 WeakPolarHBondContact CB-O 3.45Å
46H95.8Very high97.4Very high97 Ų9729 Ų2945%0.44914%0.14SC..THydrogen-bonded Turntrans-55.9-13.7169.867.9-71.3000114.5L292 F293 G295H46-L292 PolarHBondContact CE1-O 2.91Å; H46-F293 PolarHBondContact N-O 2.82Å; H46-F293 PolarHBondContact ND1-O 2.8Å; H46-G295 PolarHBondContact ND1-N 2.95Å
47K94.1Very high97.4Very high106 Ų10629.1 Ų29.146%0.46114%0.14SC..THydrogen-bonded Turntrans-107.813.2176.6-73.7179-174.9177.20113.3S45 V50 Q306S45-K47 PolarHBondContact O-N 3.1Å; S45-K47 PolarHBondContact OG-N 2.86Å; S45-K47 VanDerWaalsContact OG-N 3.11Å; K47-V50 HydrophobicContact CB-CG1 4.29Å; K47-Q306 PolarHBondContact O-NE2 2.59Å
48G95.7Very high97.4Very high27 Ų2728.5 Ų28.528%0.27814%0.137SC..EExtended strand (participates in β ladder)trans82.3-163.2-16700000112.3S45 V50S45-G48 WeakPolarHBondContact CB-O 3.4Å; S45-G48 PolarHBondContact N-O 3.38Å; S45-G48 PolarHBondContact O-N 3.47Å; S45-G48 PolarHBondContact OG-O 3.27Å; G48-V50 PolarHBondContact O-N 2.85Å
49P97.1Very high97.4Very high14 Ų1432.2 Ų32.29%0.09115%0.154CC..EExtended strand (participates in β ladder)trans-65.1123.6-179.8-21.934.9000111.4Y43 T93 V307Y43-P49 WeakPolarHBondContact O-CA 3.3Å; P49-T93 WeakPolarHBondContact CB-O 3.14Å; P49-T93 HydrophobicContact CG-CG2 4.12Å; P49-V307 HydrophobicContact CB-CB 4.21Å; P49-V307 HydrophobicContact CB-CG2 4.1Å; P49-V307 WeakPolarHBondContact O-CG2 3.46Å; P49-V307 PolarHBondContact O-N 3.36Å
50V98.1Very high97.4Very high0 Ų033.2 Ų33.20%016%0.158CC..EExtended strand (participates in β ladder)trans-126.8140.5179-64.80000111.1C42 Y43 S45 K47 G48 F293 L304 D305 Q306C42-V50 CarbonylContact C-O 3.54Å; C42-V50 WeakPolarHBondContact CA-O 3.36Å; C42-V50 PolarHBondContact SG-O 3.36Å; Y43-V50 PolarHBondContact N-O 3.23Å; Y43-V50 PolarHBondContact O-N 3.32Å; S45-V50 WeakPolarHBondContact OG-CG1 3.23Å; S45-V50 WeakPolarHBondContact OG-CG2 3.5Å; K47-V50 HydrophobicContact CB-CG1 4.29Å; G48-V50 PolarHBondContact O-N 2.85Å; V50-F293 HydrophobicContact CG2-CD1 4.26Å; V50-L304 HydrophobicContact CB-CB 4.22Å; V50-L304 HydrophobicContact CG1-CB 4.29Å; V50-L304 HydrophobicContact CG2-CB 4.44Å; V50-L304 HydrophobicContact CG2-CD2 4.1Å; V50-D305 CarbonylContact C-O 3.55Å; V50-D305 VanDerWaalsContact CA-O 3.25Å; V50-D305 WeakPolarHBondContact CA-O 3.24Å; V50-Q306 HydrophobicContact CG1-CG 3.98Å
51V98.3Very high97.5Very high0 Ų033.2 Ų33.20%016%0.158CC..EExtended strand (participates in β ladder)trans-95.5117.6173.5-173.20000108.5I40 C42 R53 H54 I87 I97 D305 V307I40-V51 HydrophobicContact CG2-CG1 3.43Å; I40-V51 VanDerWaalsContact CG2-CG1 3.43Å; C42-V51 HydrophobicContact CB-CG2 4.37Å; V51-R53 PolarHBondContact O-N 3.19Å; V51-H54 HydrophobicContact CB-CB 3.99Å; V51-H54 HydrophobicContact CG1-CB 3.71Å; V51-I87 HydrophobicContact CG2-CD1 3.78Å; V51-I97 HydrophobicContact CG1-CD1 3.81Å; V51-I97 HydrophobicContact CG2-CD1 3.96Å; V51-D305 HydrophobicContact CB-CB 4.41Å; V51-D305 PolarHBondContact N-O 2.65Å; V51-D305 PolarHBondContact O-N 3.12Å; V51-D305 VanDerWaalsContact O-N 3.09Å; V51-V307 HydrophobicContact CG2-CG2 3.87Å
52F98.3Very high97.5Very high5 Ų534.5 Ų34.52%0.02217%0.165CC..EExtended strand (participates in β ladder)trans-73.2124.7-178.8179.9-109.5000111R41 Y43 H54 H57 A225 F289 L292 F293 W303 L304R41-F52 PolarHBondContact O-N 3.15Å; R41-F52 VanDerWaalsContact O-N 3.12Å; Y43-F52 HydrophobicContact CD2-CB 4.12Å; Y43-F52 HydrophobicContact CE2-CB 3.85Å; Y43-F52 HydrophobicContact CE2-CG 4.48Å; F52-H54 VanDerWaalsContact C-N 3.27Å; F52-H54 PolarHBondContact O-N 3.36Å; F52-H57 PolarHBondContact O-CD2 3.11Å; F52-A225 HydrophobicContact CE1-CB 4.36Å; F52-A225 HydrophobicContact CZ-CB 3.75Å; F52-F289 AromaticContact CE1-CE2 3.76Å; F52-F289 HydrophobicContact CE1-CE2 3.76Å; F52-F289 HydrophobicContact CE1-CZ 4.16Å; F52-F289 HydrophobicContact CE2-CE2 4.3Å; F52-F289 HydrophobicContact CZ-CD2 4.44Å; F52-F289 AromaticContact CZ-CE2 3.61Å; F52-F289 HydrophobicContact CZ-CE2 3.61Å; F52-F289 HydrophobicContact CZ-CZ 4.34Å; F52-L292 HydrophobicContact CE2-CD1 3.92Å; F52-F293 HydrophobicContact CB-CE1 4.03Å; F52-F293 HydrophobicContact CB-CZ 4.22Å; F52-F293 AromaticContact CD2-CE1 3.76Å; F52-F293 HydrophobicContact CD2-CE1 3.76Å; F52-F293 AromaticContact CD2-CZ 3.74Å; F52-F293 HydrophobicContact CD2-CZ 3.74Å; F52-F293 HydrophobicContact CE2-CZ 4.3Å; F52-F293 HydrophobicContact CG-CE1 4.15Å; F52-F293 HydrophobicContact CG-CZ 4.01Å; F52-W303 HydrophobicContact CD2-CB 4.25Å; F52-W303 HydrophobicContact CE2-CB 4.01Å; F52-W303 HydrophobicContact CE2-CD2 4.26Å; F52-W303 AromaticContact CE2-CE3 3.8Å; F52-W303 HydrophobicContact CE2-CE3 3.8Å; F52-W303 HydrophobicContact CE2-CG 4.4Å; F52-W303 HydrophobicContact CZ-CE3 4.13Å; F52-L304 HydrophobicContact CD2-CD2 4.08Å
53R98.3Very high97.6Very high15 Ų1537.8 Ų37.86%0.05718%0.182CC..THydrogen-bonded Turntrans52.143.6175.8-62.9-162.966.1-172.18.9113.7V51 R55 E56 H57 I221 D224 W303V51-R53 PolarHBondContact O-N 3.19Å; R53-R55 PolarHBondContact O-N 3.05Å; R53-E56 VanDerWaalsContact C-OE2 3.31Å; R53-E56 WeakPolarHBondContact CA-OE2 3.04Å; R53-E56 IonicContact CZ-OE1 2.76Å; R53-E56 VanDerWaalsContact CZ-OE1 3.28Å; R53-E56 IonicContact NE-OE1 3.6Å; R53-E56 PolarHBondContact NE-OE1 2.81Å; R53-E56 IonicContact NH2-OE1 2.67Å; R53-E56 PolarHBondContact NH2-OE1 2.75Å; R53-E56 PolarHBondContact O-N 2.92Å; R53-H57 PolarHBondContact O-CD2 3.38Å; R53-H57 VanDerWaalsContact O-CD2 3.22Å; R53-H57 PolarHBondContact O-N 3.14Å; R53-H57 VanDerWaalsContact O-N 3.07Å; R53-I221 HydrophobicContact CB-CG2 3.61Å; R53-I221 HydrophobicContact CG-CG2 4.17Å; R53-I221 PolarHBondContact NH1-O 2.69Å; R53-D224 IonicContact CZ-OD1 3.55Å; R53-D224 IonicContact NH1-OD1 3.18Å; R53-D224 PolarHBondContact NH1-OD1 2.79Å; R53-D224 IonicContact NH2-OD1 3.63Å; R53-D224 PolarHBondContact NH2-OD1 3.19Å; R53-W303 HydrophobicContact CG-CB 3.75Å; R53-W303 HydrophobicContact CG-CD2 4.13Å; R53-W303 HydrophobicContact CG-CG 3.61Å; R53-W303 PolarHBondContact N-O 3.32Å
54H98.5Very high97.7Very high3 Ų336.9 Ų36.91%0.01418%0.179CC..Hα-helixtrans-58-46.2-169.4-164.3178.2000113V51 F52 E56 H57 M58 M80 C83 D305V51-H54 HydrophobicContact CB-CB 3.99Å; V51-H54 HydrophobicContact CG1-CB 3.71Å; F52-H54 VanDerWaalsContact C-N 3.27Å; F52-H54 PolarHBondContact O-N 3.36Å; H54-E56 PolarHBondContact O-N 3.38Å; H54-H57 PolarHBondContact O-N 2.65Å; H54-M58 PolarHBondContact O-N 3.42Å; H54-M58 VanDerWaalsContact O-N 3.07Å; H54-M80 HydrophobicContact CB-CE 4.03Å; H54-M80 VanDerWaalsContact CE1-CA 3.47Å; H54-M80 WeakPolarHBondContact CE1-CA 3.49Å; H54-M80 PolarHBondContact CE1-O 2.78Å; H54-M80 WeakPolarHBondContact NE2-CA 3.41Å; H54-C83 VanDerWaalsContact NE2-CB 3.28Å; H54-C83 WeakPolarHBondContact NE2-CB 3.33Å; H54-D305 HydrophobicContact CB-CB 3.76Å; H54-D305 IonicContact CE1-OD2 3.29Å; H54-D305 IonicContact CG-OD2 2.78Å; H54-D305 IonicContact ND1-OD2 2.87Å; H54-D305 PolarHBondContact ND1-OD2 2.93Å
55R98.6Very high97.9Very high122 Ų12232.4 Ų32.446%0.4616%0.155SC..Hα-helixtrans-64.5-41.6-179.9-176.8172.4-67-74.6-2.4111.8R53 H57 M58 Q59 I76 D77 M80R53-R55 PolarHBondContact O-N 3.05Å; R55-H57 VanDerWaalsContact C-N 3.32Å; R55-H57 PolarHBondContact O-N 3.23Å; R55-M58 PolarHBondContact O-N 2.79Å; R55-Q59 WeakPolarHBondContact O-CB 3.3Å; R55-Q59 PolarHBondContact O-N 3.39Å; R55-I76 HydrophobicContact CG-CG2 4.14Å; R55-D77 IonicContact CZ-OD1 2.72Å; R55-D77 VanDerWaalsContact CZ-OD1 3.22Å; R55-D77 IonicContact NH1-OD1 2.65Å; R55-D77 PolarHBondContact NH1-OD1 2.81Å; R55-D77 IonicContact NH2-OD1 2.82Å; R55-D77 PolarHBondContact NH2-OD1 3.05Å; R55-M80 HydrophobicContact CB-CE 4.36Å; R55-M80 HydrophobicContact CB-SD 3.89Å; R55-M80 HydrophobicContact CG-SD 4.32Å
56E98.7Very high98Very high58 Ų5839.5 Ų39.527%0.27118%0.184SC..Hα-helixtrans-66.9-35.4179.1-62100.4128.700112.3R53 H54 Q59 R60 I221R53-E56 VanDerWaalsContact C-OE2 3.31Å; R53-E56 WeakPolarHBondContact CA-OE2 3.04Å; R53-E56 IonicContact CZ-OE1 2.76Å; R53-E56 VanDerWaalsContact CZ-OE1 3.28Å; R53-E56 IonicContact NE-OE1 3.6Å; R53-E56 PolarHBondContact NE-OE1 2.81Å; R53-E56 IonicContact NH2-OE1 2.67Å; R53-E56 PolarHBondContact NH2-OE1 2.75Å; R53-E56 PolarHBondContact O-N 2.92Å; H54-E56 PolarHBondContact O-N 3.38Å; E56-Q59 PolarHBondContact O-N 2.93Å; E56-R60 WeakPolarHBondContact O-CB 3.19Å; E56-R60 PolarHBondContact O-N 2.99Å; E56-I221 HydrophobicContact CB-CD1 4.13Å; E56-I221 HydrophobicContact CB-CG1 4.41Å
57H98.8Very high98.1Very high1 Ų138.2 Ų38.21%0.00518%0.18CC..Hα-helixtrans-61.9-47.8171-82.2-75.7000111.2E38 G39 I40 F52 R53 H54 R55 Q59 R60 L61 I221E38-H57 HydrophobicContact CG-CB 4.27Å; E38-H57 WeakPolarHBondContact CG-O 3.33Å; E38-H57 IonicContact OE2-CE1 3.9Å; E38-H57 IonicContact OE2-CG 3.62Å; E38-H57 IonicContact OE2-ND1 2.89Å; E38-H57 PolarHBondContact OE2-ND1 2.97Å; G39-H57 PolarHBondContact O-CE1 2.81Å; I40-H57 HydrophobicContact CD1-CB 3.66Å; I40-H57 HydrophobicContact CG1-CB 3.91Å; F52-H57 PolarHBondContact O-CD2 3.11Å; R53-H57 PolarHBondContact O-CD2 3.38Å; R53-H57 VanDerWaalsContact O-CD2 3.22Å; R53-H57 PolarHBondContact O-N 3.14Å; R53-H57 VanDerWaalsContact O-N 3.07Å; H54-H57 PolarHBondContact O-N 2.65Å; R55-H57 VanDerWaalsContact C-N 3.32Å; R55-H57 PolarHBondContact O-N 3.23Å; H57-Q59 VanDerWaalsContact C-N 3.34Å; H57-Q59 PolarHBondContact O-N 3.4Å; H57-R60 PolarHBondContact O-N 3.33Å; H57-L61 PolarHBondContact O-N 2.76Å; H57-I221 HydrophobicContact CB-CD1 4.17Å; H57-I221 WeakPolarHBondContact ND1-CD1 3.27Å
58M98.8Very high98.3Very high0 Ų036.1 Ų36.10%017%0.169CC..Hα-helixtrans-66.3-35.6178.8-71.3-46.6100.900112.9I40 H54 R55 L61 H62 I76 L79 M80 P99I40-M58 HydrophobicContact CD1-CE 3.21Å; H54-M58 PolarHBondContact O-N 3.42Å; H54-M58 VanDerWaalsContact O-N 3.07Å; R55-M58 PolarHBondContact O-N 2.79Å; M58-L61 WeakPolarHBondContact O-CB 3.36Å; M58-L61 PolarHBondContact O-N 3.36Å; M58-L61 HydrophobicContact SD-CD2 4.25Å; M58-H62 PolarHBondContact O-N 3.18Å; M58-H62 VanDerWaalsContact O-N 3.09Å; M58-I76 HydrophobicContact CB-CB 4.45Å; M58-I76 HydrophobicContact CB-CG1 4.45Å; M58-I76 HydrophobicContact CB-CG2 3.8Å; M58-L79 HydrophobicContact CG-CB 4.07Å; M58-L79 HydrophobicContact SD-CB 3.49Å; M58-L79 WeakPolarHBondContact SD-CB 3.36Å; M58-L79 HydrophobicContact SD-CD1 4.31Å; M58-M80 HydrophobicContact CB-CG 4.3Å; M58-M80 HydrophobicContact CG-CG 3.56Å; M58-P99 HydrophobicContact CE-CB 4.36Å; M58-P99 HydrophobicContact CE-CG 3.75Å
59Q98.7Very high98.3Very high78 Ų7845.2 Ų45.236%0.36420%0.195SC..Hα-helixtrans-62.9-46.8173.1-176.361.765.200111.1R55 E56 H57 L61 H62 D63 I76R55-Q59 WeakPolarHBondContact O-CB 3.3Å; R55-Q59 PolarHBondContact O-N 3.39Å; E56-Q59 PolarHBondContact O-N 2.93Å; H57-Q59 VanDerWaalsContact C-N 3.34Å; H57-Q59 PolarHBondContact O-N 3.4Å; Q59-L61 VanDerWaalsContact C-N 3.27Å; Q59-L61 PolarHBondContact O-N 2.82Å; Q59-H62 WeakPolarHBondContact O-CB 3.28Å; Q59-H62 PolarHBondContact O-N 3.34Å; Q59-H62 VanDerWaalsContact O-N 3.15Å; Q59-D63 PolarHBondContact NE2-OD1 2.94Å; Q59-D63 VanDerWaalsContact O-CG 3.22Å; Q59-D63 PolarHBondContact O-N 3.15Å; Q59-I76 HydrophobicContact CB-CD1 4.26Å
60R98.7Very high98.4Very high23 Ų2345.5 Ų45.59%0.08720%0.195CC..Hα-helixtrans-64.4-32.3178-171.9171.466.6-176.9-1.5112.5E38 E56 H57 D63 S64 P219 I221E38-R60 VanDerWaalsContact CD-NH2 3.32Å; E38-R60 IonicContact OE1-CZ 2.63Å; E38-R60 VanDerWaalsContact OE1-CZ 3.29Å; E38-R60 IonicContact OE1-NE 2.82Å; E38-R60 PolarHBondContact OE1-NE 3.18Å; E38-R60 IonicContact OE1-NH2 3.85Å; E38-R60 PolarHBondContact OE1-NH2 2.8Å; E38-R60 VanDerWaalsContact OE1-NH2 3.07Å; E38-R60 IonicContact OE2-CZ 3.42Å; E38-R60 IonicContact OE2-NE 2.66Å; E38-R60 IonicContact OE2-NH2 3.36Å; E38-R60 PolarHBondContact OE2-NH2 2.61Å; E56-R60 WeakPolarHBondContact O-CB 3.19Å; E56-R60 PolarHBondContact O-N 2.99Å; H57-R60 PolarHBondContact O-N 3.33Å; R60-D63 PolarHBondContact O-N 2.82Å; R60-S64 VanDerWaalsContact O-CB 3.3Å; R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.36Å; R60-S64 PolarHBondContact O-OG 2.92Å; R60-P219 PolarHBondContact NH1-O 2.88Å; R60-I221 HydrophobicContact CB-CD1 4.45Å
61L98.9Very high98.4Very high0 Ų048.1 Ų48.10%021%0.212CC..Hα-helixtrans-61.8-47.9172.2-174.363.9000111.1V36 E38 H57 M58 Q59 S64 A65 L79 P99 I101V36-L61 HydrophobicContact CB-CD1 4.38Å; V36-L61 HydrophobicContact CG2-CD1 3.93Å; E38-L61 HydrophobicContact CG-CB 3.97Å; E38-L61 HydrophobicContact CG-CD1 4.41Å; H57-L61 PolarHBondContact O-N 2.76Å; M58-L61 WeakPolarHBondContact O-CB 3.36Å; M58-L61 PolarHBondContact O-N 3.36Å; M58-L61 HydrophobicContact SD-CD2 4.25Å; Q59-L61 VanDerWaalsContact C-N 3.27Å; Q59-L61 PolarHBondContact O-N 2.82Å; L61-S64 PolarHBondContact O-N 3.43Å; L61-A65 PolarHBondContact O-N 3.35Å; L61-L79 HydrophobicContact CD2-CD1 4.24Å; L61-P99 HydrophobicContact CD2-CB 3.86Å; L61-I101 HydrophobicContact CD1-CD1 4.18Å; L61-I101 HydrophobicContact CD1-CG1 4.18Å; L61-I101 HydrophobicContact CD2-CD1 3.9Å; L61-I101 HydrophobicContact CD2-CG1 4.08Å; L61-I101 HydrophobicContact CG-CD1 3.71Å; L61-I101 HydrophobicContact CG-CG1 4.14Å
62H98.8Very high98.3Very high47 Ų4749.7 Ų49.722%0.21822%0.222CC..Hα-helixtrans-61.3-45174-103.8-104.5000112.4M58 Q59 S64 A65 K66 Q74M58-H62 PolarHBondContact O-N 3.18Å; M58-H62 VanDerWaalsContact O-N 3.09Å; Q59-H62 WeakPolarHBondContact O-CB 3.28Å; Q59-H62 PolarHBondContact O-N 3.34Å; Q59-H62 VanDerWaalsContact O-N 3.15Å; H62-S64 VanDerWaalsContact C-N 3.33Å; H62-S64 PolarHBondContact O-N 3.46Å; H62-A65 WeakPolarHBondContact O-CB 3.06Å; H62-A65 PolarHBondContact O-N 3.03Å; H62-K66 WeakPolarHBondContact O-CB 3.42Å; H62-K66 PolarHBondContact O-N 2.95Å; H62-Q74 PolarHBondContact CE1-O 2.84Å; H62-Q74 VanDerWaalsContact CE1-O 3.31Å; H62-Q74 PolarHBondContact NE2-O 2.92Å
63D98.7Very high98.2Very high69 Ų6954.3 Ų54.337%0.36926%0.255SS..Hα-helixtrans-63.4-41179.1-66.6-23.1000111.3Q59 R60 K66 I67Q59-D63 PolarHBondContact NE2-OD1 2.94Å; Q59-D63 VanDerWaalsContact O-CG 3.22Å; Q59-D63 PolarHBondContact O-N 3.15Å; R60-D63 PolarHBondContact O-N 2.82Å; D63-K66 WeakPolarHBondContact O-CB 3.26Å; D63-K66 PolarHBondContact O-N 2.95Å; D63-I67 VanDerWaalsContact O-CG1 3.28Å; D63-I67 WeakPolarHBondContact O-CG1 3.36Å; D63-I67 PolarHBondContact O-N 3.16Å
64S98.7Very high98.2Very high0 Ų054.9 Ų54.90%026%0.258CS..Hα-helixtrans-62.9-44.5175.1-59.90000111.2R60 L61 H62 K66 I67 Y68 K160R60-S64 VanDerWaalsContact O-CB 3.3Å; R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.36Å; R60-S64 PolarHBondContact O-OG 2.92Å; L61-S64 PolarHBondContact O-N 3.43Å; H62-S64 VanDerWaalsContact C-N 3.33Å; H62-S64 PolarHBondContact O-N 3.46Å; S64-K66 VanDerWaalsContact C-N 3.34Å; S64-I67 PolarHBondContact O-N 3.03Å; S64-Y68 PolarHBondContact O-N 2.77Å; S64-K160 PolarHBondContact OG-N 3.18Å
65A98.6Very high98.2Very high1 Ų157.2 Ų57.21%0.00828%0.275CS..Hα-helixtrans-61.7-43.2175.400000111.4V36 L61 H62 I67 Y68 R69 F70 V72V36-A65 HydrophobicContact CG2-CB 3.95Å; L61-A65 PolarHBondContact O-N 3.35Å; H62-A65 WeakPolarHBondContact O-CB 3.06Å; H62-A65 PolarHBondContact O-N 3.03Å; A65-I67 PolarHBondContact O-N 3.15Å; A65-Y68 CarbonylContact O-C 3.41Å; A65-Y68 PolarHBondContact O-N 3.38Å; A65-R69 PolarHBondContact O-N 3.11Å; A65-F70 HydrophobicContact CB-CB 4.08Å; A65-F70 PolarHBondContact O-N 3.38Å; A65-V72 HydrophobicContact CB-CG2 3.43Å; A65-V72 VanDerWaalsContact CB-CG2 3.43Å
66K98.4Very high98.2Very high164 Ų16452.8 Ų52.871%0.71326%0.26SS*.Hα-helixtrans-61.6-43.4178.2-179179.3179179.80112.4H62 D63 S64 Y68 R69H62-K66 WeakPolarHBondContact O-CB 3.42Å; H62-K66 PolarHBondContact O-N 2.95Å; D63-K66 WeakPolarHBondContact O-CB 3.26Å; D63-K66 PolarHBondContact O-N 2.95Å; S64-K66 VanDerWaalsContact C-N 3.34Å; K66-Y68 PolarHBondContact O-N 2.86Å; K66-R69 PolarHBondContact O-N 3.45Å; K66-R69 VanDerWaalsContact O-N 3.08Å
67I98Very high98.2Very high70 Ų7054.3 Ų54.336%0.35927%0.27SS..Hα-helixtrans-55.5-42.6175.8-74.5165.2000110.7D63 S64 A65 P156 A158 A159D63-I67 VanDerWaalsContact O-CG1 3.28Å; D63-I67 WeakPolarHBondContact O-CG1 3.36Å; D63-I67 PolarHBondContact O-N 3.16Å; S64-I67 PolarHBondContact O-N 3.03Å; A65-I67 PolarHBondContact O-N 3.15Å; I67-P156 HydrophobicContact CG2-CB 3.43Å; I67-P156 VanDerWaalsContact CG2-CB 3.43Å; I67-P156 HydrophobicContact CG2-CG 3.56Å; I67-A158 HydrophobicContact CD1-CB 4.28Å; I67-A159 HydrophobicContact CB-CB 4.23Å; I67-A159 HydrophobicContact CD1-CB 3.86Å; I67-A159 HydrophobicContact CG2-CB 4.02Å
68Y97.1Very high98.2Very high62 Ų6259.5 Ų59.524%0.24329%0.294CS..THydrogen-bonded Turntrans-90.93.8179-74.7-68.4000114.9V36 S64 A65 K66 F70 I155 P156 A159 A161 N164V36-Y68 HydrophobicContact CG1-CD2 4.18Å; S64-Y68 PolarHBondContact O-N 2.77Å; A65-Y68 CarbonylContact O-C 3.41Å; A65-Y68 PolarHBondContact O-N 3.38Å; K66-Y68 PolarHBondContact O-N 2.86Å; Y68-F70 HydrophobicContact CG-CE2 4.35Å; Y68-F70 HydrophobicContact CG-CZ 4.28Å; Y68-F70 PolarHBondContact O-N 3.28Å; Y68-I155 WeakPolarHBondContact OH-CG1 3.48Å; Y68-P156 HydrophobicContact CE1-CG 4.44Å; Y68-P156 WeakPolarHBondContact OH-CD 3.48Å; Y68-A159 HydrophobicContact CD2-CB 4Å; Y68-A159 HydrophobicContact CE2-CB 3.54Å; Y68-A161 HydrophobicContact CD2-CB 4.06Å; Y68-A161 HydrophobicContact CE2-CB 3.39Å; Y68-N164 PolarHBondContact OH-OD1 3.08Å
69R96.9Very high98.1Very high217 Ų21759.5 Ų59.582%0.81929%0.294SS*.THydrogen-bonded Turntrans58.732.5-179.7-48.3172.6-178.8-117.1-0.3113.1A65 K66 Y116A65-R69 PolarHBondContact O-N 3.11Å; K66-R69 PolarHBondContact O-N 3.45Å; K66-R69 VanDerWaalsContact O-N 3.08Å; R69-Y116 PolarHBondContact O-OH 3.1Å
70F98.2Very high98.1Very high21 Ų2156.4 Ų56.49%0.09228%0.28CS..  trans-77125.2171.7-63.9-19.5000109.2T34 V36 A65 Y68 V72 V103 Y116 T118T34-F70 HydrophobicContact CG2-CE1 4.34Å; T34-F70 HydrophobicContact CG2-CZ 4.11Å; V36-F70 HydrophobicContact CG1-CD2 4.13Å; V36-F70 HydrophobicContact CG1-CE2 4.05Å; V36-F70 HydrophobicContact CG2-CD2 4.42Å; A65-F70 HydrophobicContact CB-CB 4.08Å; A65-F70 PolarHBondContact O-N 3.38Å; Y68-F70 HydrophobicContact CG-CE2 4.35Å; Y68-F70 HydrophobicContact CG-CZ 4.28Å; Y68-F70 PolarHBondContact O-N 3.28Å; F70-V72 PolarHBondContact O-N 3.12Å; F70-V103 HydrophobicContact CD1-CG2 4.27Å; F70-V103 HydrophobicContact CE1-CG2 4.15Å; F70-Y116 WeakPolarHBondContact CD1-OH 3.43Å; F70-T118 HydrophobicContact CB-CG2 4.05Å
71P97.6Very high98.1Very high54 Ų5458.7 Ų58.735%0.35129%0.291SS..  trans-66.9133.8173.427.8-32.5000108.8Y116 T118P71-Y116 VanDerWaalsContact CD-CZ 3.41Å; P71-Y116 VanDerWaalsContact CD-OH 3.25Å; P71-Y116 WeakPolarHBondContact CD-OH 3.32Å; P71-Y116 HydrophobicContact CG-CD2 4.47Å; P71-Y116 HydrophobicContact CG-CE2 4.06Å; P71-Y116 WeakPolarHBondContact CG-O 3.31Å; P71-T118 HydrophobicContact CG-CG2 4.16Å; P71-T118 VanDerWaalsContact O-CG2 3.28Å; P71-T118 WeakPolarHBondContact O-CG2 3.39Å; P71-T118 PolarHBondContact O-OG1 3.49Å
72V97.9Very high98.1Very high34 Ų3458.8 Ų58.821%0.20629%0.292CS..  trans-125.6117.4174.4-173.50000107.2A65 F70 I101A65-V72 HydrophobicContact CB-CG2 3.43Å; A65-V72 VanDerWaalsContact CB-CG2 3.43Å; F70-V72 PolarHBondContact O-N 3.12Å; V72-I101 HydrophobicContact CB-CD1 4.42Å; V72-I101 HydrophobicContact CG1-CD1 3.77Å; V72-I101 HydrophobicContact CG2-CD1 3.72Å; V72-I101 HydrophobicContact CG2-CG2 4.36Å
73S95.7Very high98.1Very high102 Ų10256.6 Ų56.671%0.71328%0.282SS*.  trans-83.7-26.6-178.451.30000112.6
74Q97.9Very high98.1Very high27 Ų2755 Ų5513%0.12627%0.271CS..SBendtrans-82.3134.5-178.5-56.980300111.2W10 H62 E78 L79W10-Q74 HydrophobicContact CH2-CG 4.35Å; H62-Q74 PolarHBondContact CE1-O 2.84Å; H62-Q74 VanDerWaalsContact CE1-O 3.31Å; H62-Q74 PolarHBondContact NE2-O 2.92Å; Q74-E78 WeakPolarHBondContact CA-OE2 3.29Å; Q74-E78 HydrophobicContact CB-CB 4.4Å; Q74-L79 HydrophobicContact CB-CD1 4.33Å; Q74-L79 HydrophobicContact CB-CD2 3.75Å; Q74-L79 HydrophobicContact CB-CG 3.76Å; Q74-L79 HydrophobicContact CG-CD2 4.13Å
75S98.4Very high98Very high52 Ų5257.3 Ų57.336%0.36428%0.283SS..  trans-68.5165167.567.20000111.9D77 E78 L79S75-D77 VanDerWaalsContact C-N 3.29Å; S75-D77 PolarHBondContact O-N 3.37Å; S75-E78 WeakPolarHBondContact CB-OE2 3.5Å; S75-E78 PolarHBondContact N-OE2 3.47Å; S75-E78 PolarHBondContact O-N 3.19Å; S75-E78 WeakPolarHBondContact OG-CB 3.26Å; S75-E78 VanDerWaalsContact OG-CD 3.29Å; S75-E78 VanDerWaalsContact OG-CG 3.24Å; S75-E78 WeakPolarHBondContact OG-CG 3.49Å; S75-E78 PolarHBondContact OG-N 2.63Å; S75-E78 PolarHBondContact OG-OE2 3.3Å; S75-L79 WeakPolarHBondContact O-CG 3.37Å; S75-L79 PolarHBondContact O-N 3.36Å; S75-L79 VanDerWaalsContact O-N 3.13Å
76I98.6Very high98Very high29 Ų2957.2 Ų57.215%0.14928%0.283CS..Hα-helixtrans-58.2-43.4175.1-72.7171000111.2R55 M58 Q59 L79 M80R55-I76 HydrophobicContact CG-CG2 4.14Å; M58-I76 HydrophobicContact CB-CB 4.45Å; M58-I76 HydrophobicContact CB-CG1 4.45Å; M58-I76 HydrophobicContact CB-CG2 3.8Å; Q59-I76 HydrophobicContact CB-CD1 4.26Å; I76-L79 PolarHBondContact O-N 2.77Å; I76-M80 HydrophobicContact CG2-CG 4.45Å; I76-M80 HydrophobicContact CG2-SD 4.01Å; I76-M80 VanDerWaalsContact O-CG 3.31Å; I76-M80 WeakPolarHBondContact O-CG 3.17Å; I76-M80 PolarHBondContact O-N 2.93Å
77D98.5Very high98Very high89 Ų8949.5 Ų49.548%0.47625%0.249SC..Hα-helixtrans-69.4-36.8-176.7-65-23.5000111.9R55 S75 M80 E81R55-D77 IonicContact CZ-OD1 2.72Å; R55-D77 VanDerWaalsContact CZ-OD1 3.22Å; R55-D77 IonicContact NH1-OD1 2.65Å; R55-D77 PolarHBondContact NH1-OD1 2.81Å; R55-D77 IonicContact NH2-OD1 2.82Å; R55-D77 PolarHBondContact NH2-OD1 3.05Å; S75-D77 VanDerWaalsContact C-N 3.29Å; S75-D77 PolarHBondContact O-N 3.37Å; D77-M80 PolarHBondContact O-N 3.01Å; D77-E81 PolarHBondContact O-N 2.87Å
78E98.4Very high98Very high110 Ų11049.8 Ų49.851%0.51425%0.246SC..Hα-helixtrans-63.5-42173.5-74.4165.1141.600111.8Q74 S75 E81 A82Q74-E78 WeakPolarHBondContact CA-OE2 3.29Å; Q74-E78 HydrophobicContact CB-CB 4.4Å; S75-E78 WeakPolarHBondContact CB-OE2 3.5Å; S75-E78 PolarHBondContact N-OE2 3.47Å; S75-E78 PolarHBondContact O-N 3.19Å; S75-E78 WeakPolarHBondContact OG-CB 3.26Å; S75-E78 VanDerWaalsContact OG-CD 3.29Å; S75-E78 VanDerWaalsContact OG-CG 3.24Å; S75-E78 WeakPolarHBondContact OG-CG 3.49Å; S75-E78 PolarHBondContact OG-N 2.63Å; S75-E78 PolarHBondContact OG-OE2 3.3Å; E78-E81 PolarHBondContact O-N 3.03Å; E78-A82 WeakPolarHBondContact O-CB 3.3Å; E78-A82 PolarHBondContact O-N 3.05Å
79L98.7Very high98Very high0 Ų051.7 Ų51.70%026%0.255CS..Hα-helixtrans-68.5-35.9177.1-66.2171.1000112.2M58 L61 Q74 S75 I76 C83 V120 I122M58-L79 HydrophobicContact CG-CB 4.07Å; M58-L79 HydrophobicContact SD-CB 3.49Å; M58-L79 WeakPolarHBondContact SD-CB 3.36Å; M58-L79 HydrophobicContact SD-CD1 4.31Å; L61-L79 HydrophobicContact CD2-CD1 4.24Å; Q74-L79 HydrophobicContact CB-CD1 4.33Å; Q74-L79 HydrophobicContact CB-CD2 3.75Å; Q74-L79 HydrophobicContact CB-CG 3.76Å; Q74-L79 HydrophobicContact CG-CD2 4.13Å; S75-L79 WeakPolarHBondContact O-CG 3.37Å; S75-L79 PolarHBondContact O-N 3.36Å; S75-L79 VanDerWaalsContact O-N 3.13Å; I76-L79 PolarHBondContact O-N 2.77Å; L79-C83 PolarHBondContact O-N 2.97Å; L79-C83 PolarHBondContact O-SG 3.49Å; L79-V120 HydrophobicContact CD2-CG1 3.89Å; L79-I122 HydrophobicContact CD2-CD1 4.37Å
80M98.6Very high97.9Very high13 Ų1342 Ų426%0.06422%0.22CC..Hα-helixtrans-63.9-45.4173.1-71.5177.159.900111.4H54 R55 M58 I76 D77 C83 R84H54-M80 HydrophobicContact CB-CE 4.03Å; H54-M80 VanDerWaalsContact CE1-CA 3.47Å; H54-M80 WeakPolarHBondContact CE1-CA 3.49Å; H54-M80 PolarHBondContact CE1-O 2.78Å; H54-M80 WeakPolarHBondContact NE2-CA 3.41Å; R55-M80 HydrophobicContact CB-CE 4.36Å; R55-M80 HydrophobicContact CB-SD 3.89Å; R55-M80 HydrophobicContact CG-SD 4.32Å; M58-M80 HydrophobicContact CB-CG 4.3Å; M58-M80 HydrophobicContact CG-CG 3.56Å; I76-M80 HydrophobicContact CG2-CG 4.45Å; I76-M80 HydrophobicContact CG2-SD 4.01Å; I76-M80 VanDerWaalsContact O-CG 3.31Å; I76-M80 WeakPolarHBondContact O-CG 3.17Å; I76-M80 PolarHBondContact O-N 2.93Å; D77-M80 PolarHBondContact O-N 3.01Å; M80-C83 WeakPolarHBondContact O-CB 3.37Å; M80-C83 PolarHBondContact O-N 2.64Å; M80-R84 PolarHBondContact O-N 3.02Å; M80-R84 VanDerWaalsContact O-N 3.1Å
81E98.4Very high97.8Very high71 Ų7147.7 Ų47.733%0.33225%0.251SS..Hα-helixtrans-63.1-43.5177.1-175.157.2-156.600111.5D77 E78 C83 R84 D85 R88D77-E81 PolarHBondContact O-N 2.87Å; E78-E81 PolarHBondContact O-N 3.03Å; E81-C83 VanDerWaalsContact C-N 3.27Å; E81-C83 PolarHBondContact O-N 3.46Å; E81-R84 WeakPolarHBondContact O-CB 3.4Å; E81-R84 PolarHBondContact O-N 2.88Å; E81-R84 IonicContact OE2-CZ 2.61Å; E81-R84 IonicContact OE2-NE 2.73Å; E81-R84 PolarHBondContact OE2-NE 2.83Å; E81-R84 IonicContact OE2-NH2 3.2Å; E81-R84 PolarHBondContact OE2-NH2 3.46Å; E81-D85 PolarHBondContact O-N 3.49Å; E81-R88 IonicContact OE1-CZ 3.7Å; E81-R88 IonicContact OE1-NH2 2.67Å; E81-R88 PolarHBondContact OE1-NH2 3.24Å
82A98.4Very high97.7Very high3 Ų346.1 Ų46.13%0.02524%0.239CC..Hα-helixtrans-60.2-36.2175.800000112.5W10 E78 D85 V86 I122W10-A82 HydrophobicContact CD2-CB 3.86Å; W10-A82 HydrophobicContact CG-CB 4.06Å; W10-A82 HydrophobicContact CZ2-CB 3.98Å; E78-A82 WeakPolarHBondContact O-CB 3.3Å; E78-A82 PolarHBondContact O-N 3.05Å; A82-D85 PolarHBondContact O-N 3.39Å; A82-V86 VanDerWaalsContact O-CG2 3.29Å; A82-V86 WeakPolarHBondContact O-CG2 3.48Å; A82-V86 PolarHBondContact O-N 3.18Å; A82-I122 HydrophobicContact CB-CD1 3.46Å; A82-I122 VanDerWaalsContact CB-CD1 3.46Å
83C98.6Very high97.5Very high0 Ų047.4 Ų47.40%025%0.247CC..Hα-helixtrans-63.1-45.1171.9-69.30000112.3H54 L79 M80 E81 V86 I87 I97 I122H54-C83 VanDerWaalsContact NE2-CB 3.28Å; H54-C83 WeakPolarHBondContact NE2-CB 3.33Å; L79-C83 PolarHBondContact O-N 2.97Å; L79-C83 PolarHBondContact O-SG 3.49Å; M80-C83 WeakPolarHBondContact O-CB 3.37Å; M80-C83 PolarHBondContact O-N 2.64Å; E81-C83 VanDerWaalsContact C-N 3.27Å; E81-C83 PolarHBondContact O-N 3.46Å; C83-V86 PolarHBondContact O-N 3.03Å; C83-I87 WeakPolarHBondContact O-CG1 3.45Å; C83-I87 PolarHBondContact O-N 3.21Å; C83-I97 HydrophobicContact CB-CD1 4.45Å; C83-I97 HydrophobicContact CB-CG2 4.27Å; C83-I122 HydrophobicContact CB-CG2 4.44Å
84R98.4Very high97.5Very high37 Ų3744.4 Ų44.414%0.1423%0.226CC..Hα-helixtrans-62.7-42.6176.1-70.3-173.3-69.4-92.8-0.3111.5M80 E81 V86 I87 R88 D305 V307M80-R84 PolarHBondContact O-N 3.02Å; M80-R84 VanDerWaalsContact O-N 3.1Å; E81-R84 WeakPolarHBondContact O-CB 3.4Å; E81-R84 PolarHBondContact O-N 2.88Å; E81-R84 IonicContact OE2-CZ 2.61Å; E81-R84 IonicContact OE2-NE 2.73Å; E81-R84 PolarHBondContact OE2-NE 2.83Å; E81-R84 IonicContact OE2-NH2 3.2Å; E81-R84 PolarHBondContact OE2-NH2 3.46Å; R84-V86 PolarHBondContact O-N 2.93Å; R84-I87 PolarHBondContact O-N 3.09Å; R84-R88 PolarHBondContact O-N 3.3Å; R84-D305 IonicContact CZ-OD2 3.07Å; R84-D305 IonicContact NH1-OD1 3.22Å; R84-D305 IonicContact NH1-OD2 2.68Å; R84-D305 PolarHBondContact NH1-OD2 3.43Å; R84-V307 HydrophobicContact CB-CG1 4.2Å; R84-V307 HydrophobicContact CG-CG1 4.39Å; R84-V307 HydrophobicContact CG-CG2 4.44Å
85D97.9Very high97.4Very high47 Ų4743.1 Ų43.125%0.25122%0.22SC..Hα-helixtrans-59.3-43.6177.2-78-26.3000111.9M15 E81 A82 I87 R88 K89M15-D85 HydrophobicContact CE-CB 3.39Å; E81-D85 PolarHBondContact O-N 3.49Å; A82-D85 PolarHBondContact O-N 3.39Å; D85-I87 VanDerWaalsContact C-N 3.33Å; D85-I87 PolarHBondContact O-N 3.38Å; D85-R88 PolarHBondContact O-N 3.03Å; D85-R88 IonicContact OD1-CZ 2.67Å; D85-R88 IonicContact OD1-NH1 3.83Å; D85-R88 PolarHBondContact OD1-NH1 3.47Å; D85-R88 IonicContact OD1-NH2 2.69Å; D85-R88 PolarHBondContact OD1-NH2 2.86Å; D85-K89 WeakPolarHBondContact O-CB 3.36Å; D85-K89 PolarHBondContact O-N 2.85Å
86V97.9Very high97.3Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-66.2-37.1179.2177.40000111.4W10 M15 A82 C83 R84 N90 I122 A124W10-V86 HydrophobicContact CB-CG2 3.27Å; W10-V86 HydrophobicContact CG-CG2 4.36Å; M15-V86 HydrophobicContact CE-CB 4.38Å; M15-V86 HydrophobicContact CE-CG2 3.74Å; M15-V86 HydrophobicContact SD-CG2 4.11Å; A82-V86 VanDerWaalsContact O-CG2 3.29Å; A82-V86 WeakPolarHBondContact O-CG2 3.48Å; A82-V86 PolarHBondContact O-N 3.18Å; C83-V86 PolarHBondContact O-N 3.03Å; R84-V86 PolarHBondContact O-N 2.93Å; V86-N90 WeakPolarHBondContact CG1-ND2 3.07Å; V86-N90 WeakPolarHBondContact O-CB 3.35Å; V86-N90 PolarHBondContact O-N 2.84Å; V86-N90 PolarHBondContact O-ND2 3.4Å; V86-I122 HydrophobicContact CG2-CB 4.31Å; V86-I122 HydrophobicContact CG2-CG2 4.14Å; V86-I122 WeakPolarHBondContact CG2-O 3.43Å; V86-A124 HydrophobicContact CB-CB 4.43Å; V86-A124 HydrophobicContact CG1-CB 3.63Å
87I97.9Very high97.3Very high1 Ų140 Ų401%0.00520%0.199CC..Hα-helixtrans-64.1-51174.8-66.5165.1000110.1C42 V51 C83 R84 D85 N90 N91 L92 I97 A124 V307C42-I87 HydrophobicContact CB-CD1 3.97Å; V51-I87 HydrophobicContact CG2-CD1 3.78Å; C83-I87 WeakPolarHBondContact O-CG1 3.45Å; C83-I87 PolarHBondContact O-N 3.21Å; R84-I87 PolarHBondContact O-N 3.09Å; D85-I87 VanDerWaalsContact C-N 3.33Å; D85-I87 PolarHBondContact O-N 3.38Å; I87-N90 PolarHBondContact O-N 2.83Å; I87-N91 PolarHBondContact O-N 3.45Å; I87-N91 VanDerWaalsContact O-N 3.15Å; I87-L92 HydrophobicContact CG2-CB 4.07Å; I87-L92 WeakPolarHBondContact CG2-O 3.47Å; I87-L92 PolarHBondContact O-N 2.95Å; I87-I97 HydrophobicContact CD1-CD1 3.67Å; I87-I97 HydrophobicContact CD1-CG1 4.22Å; I87-I97 HydrophobicContact CG1-CD1 4.46Å; I87-A124 HydrophobicContact CG1-CB 4.18Å; I87-V307 HydrophobicContact CB-CG1 4.1Å; I87-V307 HydrophobicContact CD1-CG2 3.9Å; I87-V307 HydrophobicContact CG2-CG1 3.83Å; I87-V307 HydrophobicContact CG2-CG2 4.26Å
88R97.1Very high97.3Very high76 Ų7639.7 Ų39.729%0.28719%0.191SC..Hα-helixtrans-59.4-49.7178.4-77.5-169.1-99.1106.73.6111.6E81 R84 D85 N90 N91 V307 N308E81-R88 IonicContact OE1-CZ 3.7Å; E81-R88 IonicContact OE1-NH2 2.67Å; E81-R88 PolarHBondContact OE1-NH2 3.24Å; R84-R88 PolarHBondContact O-N 3.3Å; D85-R88 PolarHBondContact O-N 3.03Å; D85-R88 IonicContact OD1-CZ 2.67Å; D85-R88 IonicContact OD1-NH1 3.83Å; D85-R88 PolarHBondContact OD1-NH1 3.47Å; D85-R88 IonicContact OD1-NH2 2.69Å; D85-R88 PolarHBondContact OD1-NH2 2.86Å; R88-N90 PolarHBondContact O-N 3.23Å; R88-N91 PolarHBondContact O-N 3.23Å; R88-V307 HydrophobicContact CG-CG1 3.84Å; R88-V307 PolarHBondContact NE-O 2.71Å; R88-N308 WeakPolarHBondContact CD-O 3.45Å; R88-N308 PolarHBondContact NE-O 3.46Å
89K97.1Very high97.3Very high103 Ų10334.4 Ų34.445%0.44817%0.167SC..Hα-helixtrans-62.6-31.1-176.2-170.464.1174.1-1750112.9Y8 M15 D85Y8-K89 HydrophobicContact CD2-CD 4.39Å; Y8-K89 HydrophobicContact CD2-CG 3.65Å; Y8-K89 HydrophobicContact CE2-CG 4.27Å; Y8-K89 HydrophobicContact CG-CG 3.83Å; M15-K89 HydrophobicContact CE-CB 4.21Å; M15-K89 HydrophobicContact CG-CG 4.41Å; M15-K89 HydrophobicContact SD-CB 4.39Å; M15-K89 HydrophobicContact SD-CG 4.31Å; D85-K89 WeakPolarHBondContact O-CB 3.36Å; D85-K89 PolarHBondContact O-N 2.85Å
90N96.9Very high97.3Very high13 Ų1336.5 Ų36.57%0.0718%0.177CC..THydrogen-bonded Turntrans-93.25.1175.9-71.4-60.3000113.8A6 D7 Y8 V86 I87 R88 L92A6-N90 HydrophobicContact CB-CB 4.49Å; D7-N90 PolarHBondContact N-OD1 2.9Å; Y8-N90 PolarHBondContact N-OD1 2.89Å; Y8-N90 PolarHBondContact O-ND2 3.42Å; V86-N90 WeakPolarHBondContact CG1-ND2 3.07Å; V86-N90 WeakPolarHBondContact O-CB 3.35Å; V86-N90 PolarHBondContact O-N 2.84Å; V86-N90 PolarHBondContact O-ND2 3.4Å; I87-N90 PolarHBondContact O-N 2.83Å; R88-N90 PolarHBondContact O-N 3.23Å; N90-L92 VanDerWaalsContact C-N 3.29Å; N90-L92 HydrophobicContact CB-CD1 3.85Å; N90-L92 HydrophobicContact CB-CG 3.78Å; N90-L92 PolarHBondContact O-N 2.8Å
91N95.5Very high97.3Very high141 Ų14135.9 Ų35.975%0.75417%0.174SC*.THydrogen-bonded Turntrans53.441-179-52.3-70.9000113.6I87 R88I87-N91 PolarHBondContact O-N 3.45Å; I87-N91 VanDerWaalsContact O-N 3.15Å; R88-N91 PolarHBondContact O-N 3.23Å
92L95.3Very high97.3Very high20 Ų2033 Ų3311%0.10516%0.161CC..  trans-92.2133.5-177.6-58.9172.7000110.6I87 N90 A95 A124 P126I87-L92 HydrophobicContact CG2-CB 4.07Å; I87-L92 WeakPolarHBondContact CG2-O 3.47Å; I87-L92 PolarHBondContact O-N 2.95Å; N90-L92 VanDerWaalsContact C-N 3.29Å; N90-L92 HydrophobicContact CB-CD1 3.85Å; N90-L92 HydrophobicContact CB-CG 3.78Å; N90-L92 PolarHBondContact O-N 2.8Å; L92-A95 HydrophobicContact CB-CB 4.18Å; L92-A95 HydrophobicContact CD1-CB 3.77Å; L92-A124 HydrophobicContact CD1-CB 3.82Å; L92-P126 HydrophobicContact CD2-CG 3.85Å
93T94.4Very high97.3Very high61 Ų6132.9 Ų32.937%0.37416%0.16SC..SBendtrans-101.5-26169.863.70000112.9Y43 D44 P49Y43-T93 CarbonylContact C-O 3.55Å; D44-T93 WeakPolarHBondContact CA-O 3.44Å; D44-T93 PolarHBondContact N-O 2.79Å; D44-T93 WeakPolarHBondContact OD2-CB 3.48Å; D44-T93 PolarHBondContact OD2-OG1 3.37Å; D44-T93 VanDerWaalsContact OD2-OG1 3.11Å; P49-T93 WeakPolarHBondContact CB-O 3.14Å; P49-T93 HydrophobicContact CG-CG2 4.12Å
94S93.9Very high97.3Very high39 Ų3933 Ų3327%0.27316%0.161SC..SBendtrans-134.2137.9166.2179.30000109.6C42C42-S94 CarbonylContact O-C 3.58Å; C42-S94 VanDerWaalsContact O-CA 3.29Å; C42-S94 WeakPolarHBondContact O-CA 3.46Å; C42-S94 PolarHBondContact O-OG 3.35Å
95A95.8Very high97.2Very high0 Ų035.1 Ų35.10%018%0.175CC..EExtended strand (participates in β ladder)trans-153.1161.1-17500000112.7C42 L92 A124 F125C42-A95 HydrophobicContact CB-CB 4.14Å; C42-A95 PolarHBondContact N-O 3.38Å; C42-A95 PolarHBondContact O-N 3.46Å; L92-A95 HydrophobicContact CB-CB 4.18Å; L92-A95 HydrophobicContact CD1-CB 3.77Å; A95-A124 HydrophobicContact CB-CB 4.29Å; A95-F125 CarbonylContact C-O 3.53Å; A95-F125 WeakPolarHBondContact CA-O 3.49Å
96Y96.9Very high97.1Very high15 Ų1534.6 Ų34.66%0.05917%0.173CC..EExtended strand (participates in β ladder)trans-101.7126.2155.8-166.1-81.6000108.5G39 I40 R98 A124 F125 W127 T258 A259G39-Y96 VanDerWaalsContact CA-OH 3.23Å; G39-Y96 WeakPolarHBondContact CA-OH 3.23Å; I40-Y96 CarbonylContact O-C 3.51Å; I40-Y96 WeakPolarHBondContact O-CA 3.37Å; Y96-R98 PolarHBondContact OH-NH2 3.22Å; Y96-A124 WeakPolarHBondContact O-CA 3.18Å; Y96-F125 HydrophobicContact CD1-CE2 4.3Å; Y96-F125 HydrophobicContact CD1-CZ 4.03Å; Y96-F125 HydrophobicContact CG-CE2 4.43Å; Y96-F125 PolarHBondContact N-O 3.35Å; Y96-F125 PolarHBondContact O-N 3.1Å; Y96-F125 VanDerWaalsContact O-N 3.11Å; Y96-W127 VanDerWaalsContact CB-CB 3.45Å; Y96-W127 AromaticContact CD2-CD1 3.83Å; Y96-W127 HydrophobicContact CD2-CG 4.1Å; Y96-W127 HydrophobicContact CG-CB 4.43Å; Y96-W127 HydrophobicContact CG-CD2 4.44Å; Y96-W127 HydrophobicContact CG-CG 4.16Å; Y96-T258 HydrophobicContact CE2-CG2 4.37Å; Y96-A259 HydrophobicContact CE2-CB 4.08Å
97I98.3Very high96.8Very high0 Ų036.7 Ų36.70%020%0.195CC..EExtended strand (participates in β ladder)trans-103.2135.9179.4-36.1167.8000108.1I40 C42 V51 C83 I87 P99 I122 A123 A124I40-I97 HydrophobicContact CB-CB 4.06Å; I40-I97 HydrophobicContact CB-CD1 4.15Å; I40-I97 HydrophobicContact CB-CG1 4.36Å; I40-I97 HydrophobicContact CG2-CD1 4.22Å; I40-I97 PolarHBondContact N-O 3.35Å; I40-I97 PolarHBondContact O-N 3.49Å; C42-I97 HydrophobicContact CB-CD1 4.41Å; V51-I97 HydrophobicContact CG1-CD1 3.81Å; V51-I97 HydrophobicContact CG2-CD1 3.96Å; C83-I97 HydrophobicContact CB-CD1 4.45Å; C83-I97 HydrophobicContact CB-CG2 4.27Å; I87-I97 HydrophobicContact CD1-CD1 3.67Å; I87-I97 HydrophobicContact CD1-CG1 4.22Å; I87-I97 HydrophobicContact CG1-CD1 4.46Å; I97-P99 HydrophobicContact CG2-CG 4.35Å; I97-I122 HydrophobicContact CG2-CG2 3.69Å; I97-A123 CarbonylContact C-O 3.43Å; I97-A123 WeakPolarHBondContact CA-O 3.3Å; I97-A124 HydrophobicContact CG1-CB 4.43Å; I97-A124 HydrophobicContact CG2-CB 4.36Å
98R98.1Very high96.5Very high83 Ų8342.3 Ų42.331%0.31322%0.222SC..EExtended strand (participates in β ladder)trans-12881.4-179.2-179.56159.7136.45110.2F37 E38 Y96 A123F37-R98 VanDerWaalsContact CD2-NH1 3.25Å; E38-R98 WeakPolarHBondContact O-CD 3.5Å; E38-R98 PolarHBondContact O-NE 3.13Å; Y96-R98 PolarHBondContact OH-NH2 3.22Å; R98-A123 PolarHBondContact N-O 3.41Å; R98-A123 PolarHBondContact O-N 3.09Å
99P98.8Very high96.3Very high0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-67137.8162.5-20.836.1000110.4F37 E38 I40 M58 L61 I97 I121 I122F37-P99 CarbonylContact C-O 3.51Å; F37-P99 VanDerWaalsContact CA-O 3.24Å; F37-P99 WeakPolarHBondContact CA-O 3.43Å; F37-P99 WeakPolarHBondContact CB-O 3.4Å; E38-P99 HydrophobicContact CB-CB 4.38Å; E38-P99 HydrophobicContact CB-CG 4.21Å; E38-P99 PolarHBondContact N-O 2.75Å; I40-P99 HydrophobicContact CD1-CG 3.83Å; M58-P99 HydrophobicContact CE-CB 4.36Å; M58-P99 HydrophobicContact CE-CG 3.75Å; L61-P99 HydrophobicContact CD2-CB 3.86Å; I97-P99 HydrophobicContact CG2-CG 4.35Å; P99-I121 CarbonylContact C-O 3.59Å; P99-I121 WeakPolarHBondContact CA-O 3.35Å; P99-I122 HydrophobicContact CB-CG1 4.07Å; P99-I122 HydrophobicContact CG-CG1 4.35Å; P99-I122 HydrophobicContact CG-CG2 4.36Å
100L98.8Very high96.2Very high43 Ų4340 Ų4023%0.22523%0.231CC..EExtended strand (participates in β ladder)trans-144.6125.5178.317577.8000108.7V36 F37 F102 V120 I121V36-L100 WeakPolarHBondContact O-CA 3.49Å; F37-L100 HydrophobicContact CB-CB 4.44Å; F37-L100 HydrophobicContact CB-CD1 3.71Å; L100-F102 HydrophobicContact CD2-CD1 3.8Å; L100-F102 HydrophobicContact CD2-CE1 4.32Å; L100-F102 HydrophobicContact CD2-CG 4.44Å; L100-F102 HydrophobicContact CG-CB 4.46Å; L100-F102 HydrophobicContact CG-CD1 3.89Å; L100-V120 WeakPolarHBondContact O-CA 3.47Å; L100-I121 HydrophobicContact CB-CD1 3.74Å; L100-I121 HydrophobicContact CB-CG1 3.91Å; L100-I121 HydrophobicContact CD2-CD1 4.12Å; L100-I121 HydrophobicContact CD2-CG1 4.05Å; L100-I121 HydrophobicContact CG-CG1 4.46Å; L100-I121 PolarHBondContact N-O 3.37Å; L100-I121 PolarHBondContact O-N 3.44Å
101I98.8Very high96.1Very high0 Ų045.9 Ų45.90%026%0.262CS..EExtended strand (participates in β ladder)trans-106.8130.2169.5-55.1178.5000107S35 V36 L61 V72 T118 D119 V120S35-I101 CarbonylContact C-O 3.5Å; S35-I101 WeakPolarHBondContact CA-O 3.41Å; S35-I101 WeakPolarHBondContact CB-O 3.18Å; V36-I101 HydrophobicContact CG2-CB 3.85Å; V36-I101 HydrophobicContact CG2-CD1 4.44Å; V36-I101 HydrophobicContact CG2-CG1 4.46Å; V36-I101 PolarHBondContact N-O 2.93Å; V36-I101 PolarHBondContact O-N 2.69Å; L61-I101 HydrophobicContact CD1-CD1 4.18Å; L61-I101 HydrophobicContact CD1-CG1 4.18Å; L61-I101 HydrophobicContact CD2-CD1 3.9Å; L61-I101 HydrophobicContact CD2-CG1 4.08Å; L61-I101 HydrophobicContact CG-CD1 3.71Å; L61-I101 HydrophobicContact CG-CG1 4.14Å; V72-I101 HydrophobicContact CB-CD1 4.42Å; V72-I101 HydrophobicContact CG1-CD1 3.77Å; V72-I101 HydrophobicContact CG2-CD1 3.72Å; V72-I101 HydrophobicContact CG2-CG2 4.36Å; I101-T118 HydrophobicContact CG2-CG2 4.01Å; I101-D119 CarbonylContact C-O 3.58Å; I101-D119 WeakPolarHBondContact CA-O 3.11Å; I101-V120 HydrophobicContact CB-CG2 4.44Å; I101-V120 HydrophobicContact CG1-CG1 4.19Å; I101-V120 HydrophobicContact CG1-CG2 3.93Å; I101-V120 HydrophobicContact CG2-CG2 4.26Å
102F98.7Very high96.1Very high12 Ų1240.7 Ų40.75%0.05324%0.236CC..EExtended strand (participates in β ladder)trans-149.5158.2-175.465.3-83.8000112.9F11 V23 A29 T34 L100 T118 D119 I121F11-F102 HydrophobicContact CZ-CZ 4.08Å; V23-F102 HydrophobicContact CG1-CE2 3.68Å; V23-F102 HydrophobicContact CG1-CZ 3.66Å; A29-F102 HydrophobicContact CB-CB 3.85Å; A29-F102 HydrophobicContact CB-CD2 4.24Å; A29-F102 HydrophobicContact CB-CG 4.48Å; T34-F102 WeakPolarHBondContact O-CA 3.42Å; L100-F102 HydrophobicContact CD2-CD1 3.8Å; L100-F102 HydrophobicContact CD2-CE1 4.32Å; L100-F102 HydrophobicContact CD2-CG 4.44Å; L100-F102 HydrophobicContact CG-CB 4.46Å; L100-F102 HydrophobicContact CG-CD1 3.89Å; F102-T118 WeakPolarHBondContact O-CA 3.39Å; F102-T118 WeakPolarHBondContact O-CB 3.35Å; F102-D119 HydrophobicContact CD1-CB 4.2Å; F102-D119 HydrophobicContact CD2-CB 4.18Å; F102-D119 HydrophobicContact CE1-CB 3.67Å; F102-D119 HydrophobicContact CE2-CB 3.63Å; F102-D119 HydrophobicContact CG-CB 4.44Å; F102-D119 HydrophobicContact CZ-CB 3.36Å; F102-D119 PolarHBondContact N-O 2.61Å; F102-D119 PolarHBondContact O-N 2.89Å; F102-I121 HydrophobicContact CE1-CG1 4.06Å; F102-I121 HydrophobicContact CE1-CG2 4.05Å
103V98.3Very high96.1Very high0 Ų042.9 Ų42.90%025%0.251CS..EExtended strand (participates in β ladder)trans-86.7117.8174-171.60000109.4H28 A29 T34 F70 V106 P112 Y116 T118H28-V103 HydrophobicContact CB-CB 3.97Å; H28-V103 HydrophobicContact CB-CG1 3.72Å; H28-V103 PolarHBondContact N-O 2.83Å; A29-V103 WeakPolarHBondContact CB-O 3.43Å; A29-V103 PolarHBondContact N-O 2.78Å; T34-V103 PolarHBondContact O-N 2.83Å; F70-V103 HydrophobicContact CD1-CG2 4.27Å; F70-V103 HydrophobicContact CE1-CG2 4.15Å; V103-V106 HydrophobicContact CG1-CB 4.44Å; V103-V106 HydrophobicContact CG1-CG1 3.87Å; V103-V106 HydrophobicContact CG1-CG2 3.65Å; V103-P112 HydrophobicContact CG1-CB 4.33Å; V103-P112 HydrophobicContact CG1-CG 4.01Å; V103-P112 HydrophobicContact CG2-CG 4.4Å; V103-Y116 HydrophobicContact CG1-CD2 3.94Å; V103-Y116 HydrophobicContact CG1-CE2 4.13Å; V103-Y116 HydrophobicContact CG2-CD2 4.42Å; V103-Y116 HydrophobicContact CG2-CE2 3.78Å; V103-T118 HydrophobicContact CG2-CG2 4.46Å
104G97.5Very high96.1Very high2 Ų245.1 Ų45.12%0.02128%0.277CS..  trans-74.9-153.4179.400000114.1S27 H28 V106 D119S27-G104 WeakPolarHBondContact CA-O 3.44Å; H28-G104 WeakPolarHBondContact CB-O 3.46Å; H28-G104 PolarHBondContact N-O 2.81Å; G104-V106 PolarHBondContact O-N 3.31Å; G104-V106 VanDerWaalsContact O-N 3.14Å; G104-D119 WeakPolarHBondContact CA-OD2 3.35Å
105D96.8Very high96.2Very high81 Ų8147.3 Ų47.343%0.43331%0.305SS..SBendtrans-79.293.3177.2-170.7-3.7000110.5H24H24-D105 HydrophobicContact CB-CB 4.28Å; H24-D105 IonicContact CE1-OD2 3.24Å; H24-D105 IonicContact CG-OD2 2.83Å; H24-D105 IonicContact ND1-OD2 2.7Å; H24-D105 PolarHBondContact ND1-OD2 3.15Å
106V96Very high96.2Very high36 Ų3649.7 Ų49.722%0.21832%0.315CS..  trans-112.415.4-176.2-59.40000112.4H28 V103 G104 P112 P113H28-V106 HydrophobicContact CB-CG2 4.12Å; V103-V106 HydrophobicContact CG1-CB 4.44Å; V103-V106 HydrophobicContact CG1-CG1 3.87Å; V103-V106 HydrophobicContact CG1-CG2 3.65Å; G104-V106 PolarHBondContact O-N 3.31Å; G104-V106 VanDerWaalsContact O-N 3.14Å; V106-P112 HydrophobicContact CG2-CB 4.19Å; V106-P113 HydrophobicContact CB-CG 4.23Å; V106-P113 WeakPolarHBondContact O-CD 3.33Å; V106-P113 WeakPolarHBondContact O-CG 3.16Å
107G91.7Very high96.2Very high44 Ų4453 Ų5345%0.45434%0.34SS..  trans86166.1-171.200000113.8
108M91.3Very high96.2Very high119 Ų11953.6 Ų53.659%0.58634%0.343SS*.SBendtrans-85.9123.5-174.2-173.75865.100112.1M26 Y32M26-M108 HydrophobicContact CE-CE 3.44Å; M26-M108 VanDerWaalsContact CE-CE 3.44Å; Y32-M108 HydrophobicContact CE2-SD 4.1Å; Y32-M108 PolarHBondContact OH-SD 2.96Å
109G93Very high96.2Very high27 Ų2751.4 Ų51.428%0.27834%0.338SS..SBendtrans171.6153.8174.100000108.8H28 Y32 N111H28-G109 PolarHBondContact CD2-O 3.34Å; H28-G109 PolarHBondContact NE2-O 2.96Å; Y32-G109 WeakPolarHBondContact CE2-O 3.42Å; G109-N111 VanDerWaalsContact C-N 3.26Å; G109-N111 PolarHBondContact O-N 3.14Å
110V94.6Very high96.2Very high104 Ų10451.4 Ų51.463%0.6334%0.338SS*.SBendtrans-66.6-33.5178.4178.20000111.4H28 Y32H28-V110 PolarHBondContact CE1-O 2.8Å; H28-V110 PolarHBondContact NE2-O 2.82Å; Y32-V110 HydrophobicContact CE1-CG2 3.96Å
111N95.2Very high96.2Very high136 Ų13650.6 Ų50.673%0.72733%0.333SS*.SBendtrans-101.9128.4175.1-65.5-45.4000109G109G109-N111 VanDerWaalsContact C-N 3.26Å; G109-N111 PolarHBondContact O-N 3.14Å
112P95.7Very high96.2Very high32 Ų3250.6 Ų50.621%0.20833%0.333CS..PPolyproline II helixtrans-55.4148.1168.5-26.536.1000111.6V103 V106 Y116V103-P112 HydrophobicContact CG1-CB 4.33Å; V103-P112 HydrophobicContact CG1-CG 4.01Å; V103-P112 HydrophobicContact CG2-CG 4.4Å; V106-P112 HydrophobicContact CG2-CB 4.19Å; P112-Y116 HydrophobicContact CB-CD1 3.6Å; P112-Y116 HydrophobicContact CB-CD2 3.87Å; P112-Y116 HydrophobicContact CB-CE1 3.77Å; P112-Y116 HydrophobicContact CB-CE2 4.04Å; P112-Y116 HydrophobicContact CB-CG 3.64Å; P112-Y116 HydrophobicContact CG-CD2 4.46Å; P112-Y116 HydrophobicContact CG-CE1 4.37Å; P112-Y116 HydrophobicContact CG-CE2 4.22Å
113P96Very high96.2Very high66 Ų6650.3 Ų50.343%0.42933%0.334SS..PPolyproline II helixtrans-64.9158.6178.329.5-35.8000111.4V106 G115 Y116V106-P113 HydrophobicContact CB-CG 4.23Å; V106-P113 WeakPolarHBondContact O-CD 3.33Å; V106-P113 WeakPolarHBondContact O-CG 3.16Å; P113-G115 PolarHBondContact O-N 2.86Å; P113-Y116 WeakPolarHBondContact O-CD1 3.47Å; P113-Y116 PolarHBondContact O-N 3.48Å
114A94.9Very high96.1Very high109 Ų10950.3 Ų50.390%0.90133%0.334SS*.THydrogen-bonded Turntrans-58.1137.1174.400000111.2Y116A114-Y116 VanDerWaalsContact C-N 3.35Å
115G94.9Very high96.1Very high85 Ų8551.2 Ų51.288%0.87634%0.337SS*.THydrogen-bonded Turntrans77.811.2177.900000115.7P113P113-G115 PolarHBondContact O-N 2.86Å
116Y96.8Very high95.9Very high50 Ų5051.1 Ų51.120%0.19634%0.341CS..  trans-60.3155.6172.479.5-75.5000112.6R69 F70 P71 V103 P112 P113 A114 T118R69-Y116 PolarHBondContact O-OH 3.1Å; F70-Y116 WeakPolarHBondContact CD1-OH 3.43Å; P71-Y116 VanDerWaalsContact CD-CZ 3.41Å; P71-Y116 VanDerWaalsContact CD-OH 3.25Å; P71-Y116 WeakPolarHBondContact CD-OH 3.32Å; P71-Y116 HydrophobicContact CG-CD2 4.47Å; P71-Y116 HydrophobicContact CG-CE2 4.06Å; P71-Y116 WeakPolarHBondContact CG-O 3.31Å; V103-Y116 HydrophobicContact CG1-CD2 3.94Å; V103-Y116 HydrophobicContact CG1-CE2 4.13Å; V103-Y116 HydrophobicContact CG2-CD2 4.42Å; V103-Y116 HydrophobicContact CG2-CE2 3.78Å; P112-Y116 HydrophobicContact CB-CD1 3.6Å; P112-Y116 HydrophobicContact CB-CD2 3.87Å; P112-Y116 HydrophobicContact CB-CE1 3.77Å; P112-Y116 HydrophobicContact CB-CE2 4.04Å; P112-Y116 HydrophobicContact CB-CG 3.64Å; P112-Y116 HydrophobicContact CG-CD2 4.46Å; P112-Y116 HydrophobicContact CG-CE1 4.37Å; P112-Y116 HydrophobicContact CG-CE2 4.22Å; P113-Y116 WeakPolarHBondContact O-CD1 3.47Å; P113-Y116 PolarHBondContact O-N 3.48Å; A114-Y116 VanDerWaalsContact C-N 3.35Å; Y116-T118 HydrophobicContact CE2-CG2 4.19Å
117S96.5Very high95.4Very high84 Ų8453.3 Ų53.359%0.58735%0.345SS*.  trans-108.3159.817056.80000111.1
118T98.4Very high94.7Very high12 Ų1253.8 Ų53.87%0.07435%0.35CS..EExtended strand (participates in β ladder)trans-98.8154.6167.357.60000110.7F70 P71 I101 F102 V103 Y116F70-T118 HydrophobicContact CB-CG2 4.05Å; P71-T118 HydrophobicContact CG-CG2 4.16Å; P71-T118 VanDerWaalsContact O-CG2 3.28Å; P71-T118 WeakPolarHBondContact O-CG2 3.39Å; P71-T118 PolarHBondContact O-OG1 3.49Å; I101-T118 HydrophobicContact CG2-CG2 4.01Å; F102-T118 WeakPolarHBondContact O-CA 3.39Å; F102-T118 WeakPolarHBondContact O-CB 3.35Å; V103-T118 HydrophobicContact CG2-CG2 4.46Å; Y116-T118 HydrophobicContact CE2-CG2 4.19Å
119D98.3Very high94Very high38 Ų3850 Ų5020%0.20334%0.338CS..EExtended strand (participates in β ladder)trans-95.4148.2166.4-67.5-58.5000109.5F11 N12 I101 F102 G104F11-D119 HydrophobicContact CE1-CB 4.18Å; N12-D119 PolarHBondContact ND2-OD1 3.43Å; N12-D119 WeakPolarHBondContact OD1-CA 3.35Å; I101-D119 CarbonylContact C-O 3.58Å; I101-D119 WeakPolarHBondContact CA-O 3.11Å; F102-D119 HydrophobicContact CD1-CB 4.2Å; F102-D119 HydrophobicContact CD2-CB 4.18Å; F102-D119 HydrophobicContact CE1-CB 3.67Å; F102-D119 HydrophobicContact CE2-CB 3.63Å; F102-D119 HydrophobicContact CG-CB 4.44Å; F102-D119 HydrophobicContact CZ-CB 3.36Å; F102-D119 PolarHBondContact N-O 2.61Å; F102-D119 PolarHBondContact O-N 2.89Å; G104-D119 WeakPolarHBondContact CA-OD2 3.35Å
120V98.7Very high93.3Very high0 Ų053.4 Ų53.40%034%0.343CS..EExtended strand (participates in β ladder)trans-128.8127.2177.3-173.60000109.7W10 N12 L79 L100 I101W10-V120 HydrophobicContact CZ3-CB 3.98Å; W10-V120 HydrophobicContact CZ3-CG1 3.88Å; W10-V120 WeakPolarHBondContact CZ3-O 3.47Å; N12-V120 PolarHBondContact N-O 2.82Å; N12-V120 PolarHBondContact OD1-N 3.3Å; N12-V120 PolarHBondContact OD1-O 2.7Å; L79-V120 HydrophobicContact CD2-CG1 3.89Å; L100-V120 WeakPolarHBondContact O-CA 3.47Å; I101-V120 HydrophobicContact CB-CG2 4.44Å; I101-V120 HydrophobicContact CG1-CG1 4.19Å; I101-V120 HydrophobicContact CG1-CG2 3.93Å; I101-V120 HydrophobicContact CG2-CG2 4.26Å
121I98.6Very high92.5Very high25 Ų2550 Ų5013%0.12832%0.321CS..EExtended strand (participates in β ladder)trans-122.9148.7170.46291.2000111I9 W10 F11 P99 L100 F102I9-I121 HydrophobicContact CG2-CB 4.23Å; W10-I121 CarbonylContact O-C 3.52Å; W10-I121 VanDerWaalsContact O-CA 3.23Å; W10-I121 WeakPolarHBondContact O-CA 3.41Å; F11-I121 HydrophobicContact CB-CG2 4.02Å; F11-I121 HydrophobicContact CD1-CG2 3.75Å; F11-I121 HydrophobicContact CD2-CG2 3.37Å; F11-I121 HydrophobicContact CE1-CG2 3.97Å; F11-I121 HydrophobicContact CE2-CG2 3.62Å; F11-I121 HydrophobicContact CG-CG2 3.43Å; F11-I121 VanDerWaalsContact CG-CG2 3.43Å; F11-I121 HydrophobicContact CZ-CG2 3.91Å; P99-I121 CarbonylContact C-O 3.59Å; P99-I121 WeakPolarHBondContact CA-O 3.35Å; L100-I121 HydrophobicContact CB-CD1 3.74Å; L100-I121 HydrophobicContact CB-CG1 3.91Å; L100-I121 HydrophobicContact CD2-CD1 4.12Å; L100-I121 HydrophobicContact CD2-CG1 4.05Å; L100-I121 HydrophobicContact CG-CG1 4.46Å; L100-I121 PolarHBondContact N-O 3.37Å; L100-I121 PolarHBondContact O-N 3.44Å; F102-I121 HydrophobicContact CE1-CG1 4.06Å; F102-I121 HydrophobicContact CE1-CG2 4.05Å
122I98.7Very high91.6Very high0 Ų045.2 Ų45.20%030%0.303CS..EExtended strand (participates in β ladder)trans-132.6112.2171.6-59.5166000107.6W10 L79 A82 C83 V86 I97 P99W10-I122 HydrophobicContact CB-CB 4.29Å; W10-I122 HydrophobicContact CE3-CD1 4.18Å; W10-I122 HydrophobicContact CE3-CG1 4.31Å; W10-I122 PolarHBondContact N-O 2.81Å; W10-I122 PolarHBondContact O-N 3.34Å; L79-I122 HydrophobicContact CD2-CD1 4.37Å; A82-I122 HydrophobicContact CB-CD1 3.46Å; A82-I122 VanDerWaalsContact CB-CD1 3.46Å; C83-I122 HydrophobicContact CB-CG2 4.44Å; V86-I122 HydrophobicContact CG2-CB 4.31Å; V86-I122 HydrophobicContact CG2-CG2 4.14Å; V86-I122 WeakPolarHBondContact CG2-O 3.43Å; I97-I122 HydrophobicContact CG2-CG2 3.69Å; P99-I122 HydrophobicContact CB-CG1 4.07Å; P99-I122 HydrophobicContact CG-CG1 4.35Å; P99-I122 HydrophobicContact CG-CG2 4.36Å
123A98Very high90.6Very high7 Ų747.6 Ų47.66%0.05833%0.326CS..EExtended strand (participates in β ladder)trans-101.8145.5170.800000109.9I9 W18 I97 R98 F125I9-A123 HydrophobicContact CD1-CB 4.25Å; I9-A123 HydrophobicContact CG1-CB 4.08Å; W18-A123 HydrophobicContact CZ3-CB 4.37Å; I97-A123 CarbonylContact C-O 3.43Å; I97-A123 WeakPolarHBondContact CA-O 3.3Å; R98-A123 PolarHBondContact N-O 3.41Å; R98-A123 PolarHBondContact O-N 3.09Å; A123-F125 HydrophobicContact CB-CD1 4.47Å; A123-F125 HydrophobicContact CB-CE1 4.46Å
124A97.6Very high89.9Confident0 Ų050.6 Ų50.60%033%0.334CS..EExtended strand (participates in β ladder)trans-133.9140165.600000109.5A6 V86 I87 L92 A95 Y96 I97A6-A124 VanDerWaalsContact CB-O 3.27Å; A6-A124 WeakPolarHBondContact CB-O 3.33Å; V86-A124 HydrophobicContact CB-CB 4.43Å; V86-A124 HydrophobicContact CG1-CB 3.63Å; I87-A124 HydrophobicContact CG1-CB 4.18Å; L92-A124 HydrophobicContact CD1-CB 3.82Å; A95-A124 HydrophobicContact CB-CB 4.29Å; Y96-A124 WeakPolarHBondContact O-CA 3.18Å; I97-A124 HydrophobicContact CG1-CB 4.43Å; I97-A124 HydrophobicContact CG2-CB 4.36Å
125F95.7Very high89.5Confident21 Ų2145.7 Ų45.79%0.09229%0.293CS..EExtended strand (participates in β ladder)trans-153.2158.8-178.845.3-94.7000111.7K5 A6 W18 A95 Y96 A123 W127K5-F125 HydrophobicContact CB-CB 3.73Å; K5-F125 HydrophobicContact CB-CG 4.25Å; K5-F125 HydrophobicContact CD-CD2 4.16Å; K5-F125 HydrophobicContact CD-CG 4.2Å; A6-F125 HydrophobicContact CB-CB 4.42Å; W18-F125 AromaticContact CH2-CD1 3.94Å; W18-F125 HydrophobicContact CH2-CD1 3.94Å; W18-F125 HydrophobicContact CZ3-CD1 4.21Å; A95-F125 CarbonylContact C-O 3.53Å; A95-F125 WeakPolarHBondContact CA-O 3.49Å; Y96-F125 HydrophobicContact CD1-CE2 4.3Å; Y96-F125 HydrophobicContact CD1-CZ 4.03Å; Y96-F125 HydrophobicContact CG-CE2 4.43Å; Y96-F125 PolarHBondContact N-O 3.35Å; Y96-F125 PolarHBondContact O-N 3.1Å; Y96-F125 VanDerWaalsContact O-N 3.11Å; A123-F125 HydrophobicContact CB-CD1 4.47Å; A123-F125 HydrophobicContact CB-CE1 4.46Å; F125-W127 AromaticContact CD2-CE3 3.94Å; F125-W127 HydrophobicContact CD2-CE3 3.94Å; F125-W127 HydrophobicContact CE2-CD2 4.13Å; F125-W127 AromaticContact CE2-CE3 3.35Å; F125-W127 HydrophobicContact CE2-CE3 3.35Å; F125-W127 AromaticContact CE2-CZ3 3.74Å; F125-W127 HydrophobicContact CE2-CZ3 3.74Å; F125-W127 HydrophobicContact CZ-CE3 4.44Å; F125-W127 PolarHBondContact O-N 3.28Å
126P92.6Very high89Confident79 Ų7943.4 Ų43.451%0.51326%0.261SS..  trans-57.7137.5171.8-21.933.8000111.2K5 L92K5-P126 WeakPolarHBondContact O-CD 3.17Å; L92-P126 HydrophobicContact CD2-CG 3.85Å
127W85.6Confident88.5Confident82 Ų8248.4 Ų48.431%0.31129%0.286SS..  trans-147.3123.9-177.4-169.4-98.4000111R41 Y96 F125 Y130R41-W127 PolarHBondContact NH1-O 3.16Å; Y96-W127 VanDerWaalsContact CB-CB 3.45Å; Y96-W127 AromaticContact CD2-CD1 3.83Å; Y96-W127 HydrophobicContact CD2-CG 4.1Å; Y96-W127 HydrophobicContact CG-CB 4.43Å; Y96-W127 HydrophobicContact CG-CD2 4.44Å; Y96-W127 HydrophobicContact CG-CG 4.16Å; F125-W127 AromaticContact CD2-CE3 3.94Å; F125-W127 HydrophobicContact CD2-CE3 3.94Å; F125-W127 HydrophobicContact CE2-CD2 4.13Å; F125-W127 AromaticContact CE2-CE3 3.35Å; F125-W127 HydrophobicContact CE2-CE3 3.35Å; F125-W127 AromaticContact CE2-CZ3 3.74Å; F125-W127 HydrophobicContact CE2-CZ3 3.74Å; F125-W127 HydrophobicContact CZ-CE3 4.44Å; F125-W127 PolarHBondContact O-N 3.28Å; W127-Y130 HydrophobicContact CZ2-CD2 4.13Å
128G78.1Confident88.1Confident54 Ų5448.7 Ų48.756%0.55728%0.278SS*.  trans-83.8-174.9172.600000112.7Y130G128-Y130 PolarHBondContact O-N 3.23Å
129A76.1Confident87.9Confident39 Ų3948.2 Ų48.232%0.32228%0.275SS..  trans-62.3127.5177.800000111.3L131 G132A129-L131 PolarHBondContact O-N 2.97Å; A129-G132 PolarHBondContact O-N 3.06Å
130Y77.5Confident87.8Confident98 Ų9846.4 Ų46.438%0.38427%0.266SS..THydrogen-bonded Turntrans-59.4-43.6-172.4176.3-124.2000113.7W127 G128 A259 A260W127-Y130 HydrophobicContact CZ2-CD2 4.13Å; G128-Y130 PolarHBondContact O-N 3.23Å; Y130-A259 WeakPolarHBondContact CB-O 3.36Å; Y130-A259 HydrophobicContact CD1-CB 4.18Å; Y130-A259 HydrophobicContact CD2-CB 4.31Å; Y130-A259 HydrophobicContact CG-CB 3.88Å; Y130-A260 HydrophobicContact CD1-CB 4.35Å
131L78.1Confident87.8Confident34 Ų3448.3 Ų48.318%0.17828%0.276CS..THydrogen-bonded Turntrans-98.412.2-178.7-63.4168000112.5A129 A135 I140 A260 T263A129-L131 PolarHBondContact O-N 2.97Å; L131-A135 HydrophobicContact CB-CB 3.81Å; L131-A135 VanDerWaalsContact O-CB 3.26Å; L131-A135 WeakPolarHBondContact O-CB 3.33Å; L131-I140 HydrophobicContact CB-CG2 4.26Å; L131-I140 HydrophobicContact CD1-CD1 4.12Å; L131-I140 HydrophobicContact CD1-CG2 4.25Å; L131-A260 HydrophobicContact CD1-CB 4.24Å; L131-T263 HydrophobicContact CD1-CG2 3.74Å
132G76.3Confident87.8Confident34 Ų3447.1 Ų47.135%0.35127%0.27SS..  trans93.9150.8-174.100000112.8A129 E134 A135A129-G132 PolarHBondContact O-N 3.06Å; G132-E134 VanDerWaalsContact C-N 3.28Å; G132-E134 PolarHBondContact O-N 3.3Å; G132-A135 WeakPolarHBondContact O-CB 3.34Å; G132-A135 PolarHBondContact O-N 3.42Å; G132-A135 VanDerWaalsContact O-N 3.15Å
133A75.3Confident87.8Confident83 Ų8347.9 Ų47.969%0.68627%0.273SS*.THydrogen-bonded Turntrans-62.6-37.2-177.300000112.2A135A133-A135 PolarHBondContact O-N 3.27Å
134E82Confident87.8Confident129 Ų12947.8 Ų47.860%0.60327%0.272SS*.THydrogen-bonded Turntrans-67.9-23.6178.1-63.9-178.1-169.400112.7G132 L136 E137 Q138G132-E134 VanDerWaalsContact C-N 3.28Å; G132-E134 PolarHBondContact O-N 3.3Å; E134-L136 VanDerWaalsContact C-N 3.3Å; E134-L136 PolarHBondContact O-N 3.39Å; E134-E137 PolarHBondContact O-N 3.36Å; E134-E137 VanDerWaalsContact O-N 3.14Å; E134-Q138 WeakPolarHBondContact O-CB 3.35Å; E134-Q138 PolarHBondContact O-N 3.11Å; E134-Q138 PolarHBondContact OE2-NE2 3.26Å
135A85.6Confident87.9Confident5 Ų548 Ų484%0.04127%0.274CS..Hα-helixtrans-66-31.6-177.400000112.9L131 G132 A133 E137 G139 I140 T263L131-A135 HydrophobicContact CB-CB 3.81Å; L131-A135 VanDerWaalsContact O-CB 3.26Å; L131-A135 WeakPolarHBondContact O-CB 3.33Å; G132-A135 WeakPolarHBondContact O-CB 3.34Å; G132-A135 PolarHBondContact O-N 3.42Å; G132-A135 VanDerWaalsContact O-N 3.15Å; A133-A135 PolarHBondContact O-N 3.27Å; A135-E137 PolarHBondContact O-N 3.45Å; A135-G139 WeakPolarHBondContact O-CA 2.94Å; A135-G139 PolarHBondContact O-N 2.98Å; A135-I140 HydrophobicContact CB-CG2 3.72Å; A135-T263 HydrophobicContact CB-CG2 4.21Å
136L84.3Confident87.9Confident37 Ų3751.1 Ų51.119%0.19430%0.298CS..Hα-helixtrans-66.1-26.4176.7-69.7175.2000112.4E134 E261 I262 Q286 F290E134-L136 VanDerWaalsContact C-N 3.3Å; E134-L136 PolarHBondContact O-N 3.39Å; L136-E261 HydrophobicContact CD2-CB 4.42Å; L136-I262 WeakPolarHBondContact CD2-O 3.3Å; L136-Q286 PolarHBondContact O-NE2 2.88Å; L136-F290 HydrophobicContact CD1-CZ 4.28Å; L136-F290 HydrophobicContact CD2-CZ 4.45Å
137E86.4Confident88.2Confident155 Ų15553 Ų5372%0.72430%0.295SS*.Hα-helixtrans-98.6-50.1-179.1-175.8174.1-163.600112.3E134 A135E134-E137 PolarHBondContact O-N 3.36Å; E134-E137 VanDerWaalsContact O-N 3.14Å; A135-E137 PolarHBondContact O-N 3.45Å
138Q88.8Confident88.8Confident91 Ų9152.8 Ų52.843%0.42530%0.3SS..Hα-helixtrans-86.4-20.6-174.1-60.6-176.510.100113.4E134E134-Q138 WeakPolarHBondContact O-CB 3.35Å; E134-Q138 PolarHBondContact O-N 3.11Å; E134-Q138 PolarHBondContact OE2-NE2 3.26Å
139G94.2Very high89.7Confident1 Ų151 Ų511%0.0128%0.277CS..  trans75.7173.7-171.500000114.1A135 P264 R266A135-G139 WeakPolarHBondContact O-CA 2.94Å; A135-G139 PolarHBondContact O-N 2.98Å; G139-P264 CarbonylContact C-O 3.57Å; G139-P264 WeakPolarHBondContact CA-O 3.45Å; G139-R266 PolarHBondContact O-NH1 2.95Å
140I96.6Very high90.5Very high0 Ų050.4 Ų50.40%027%0.271CS..EExtended strand (participates in β ladder)trans-115.9156.3-177.465.9157.9000112.6L131 A135 Q181 E182 M255 T263 P264 V265 R266L131-I140 HydrophobicContact CB-CG2 4.26Å; L131-I140 HydrophobicContact CD1-CD1 4.12Å; L131-I140 HydrophobicContact CD1-CG2 4.25Å; A135-I140 HydrophobicContact CB-CG2 3.72Å; I140-Q181 HydrophobicContact CB-CB 4Å; I140-Q181 HydrophobicContact CD1-CB 4.43Å; I140-Q181 HydrophobicContact CG2-CB 4.29Å; I140-E182 HydrophobicContact CD1-CB 3.64Å; I140-M255 HydrophobicContact CD1-CE 4.43Å; I140-M255 HydrophobicContact CD1-SD 3.96Å; I140-T263 HydrophobicContact CG1-CG2 4.2Å; I140-T263 HydrophobicContact CG2-CG2 3.71Å; I140-P264 PolarHBondContact N-O 3.15Å; I140-V265 HydrophobicContact CD1-CG2 4.48Å; I140-V265 HydrophobicContact CG1-CG2 4.07Å; I140-V265 CarbonylContact O-C 3.51Å; I140-V265 WeakPolarHBondContact O-CA 3.44Å; I140-R266 WeakPolarHBondContact O-CG 3.46Å; I140-R266 PolarHBondContact O-N 3.49Å
141D97.8Very high91.3Very high40 Ų4047.1 Ų47.121%0.21427%0.265CS..EExtended strand (participates in β ladder)trans-88.4121.9166-58.7-51.5000109.2Y180 Q181 R266 S267D141-Y180 HydrophobicContact CB-CD1 4.08Å; D141-Q181 PolarHBondContact O-N 2.93Å; D141-R266 VanDerWaalsContact CG-NE 3.33Å; D141-R266 VanDerWaalsContact OD1-CG 3.24Å; D141-R266 WeakPolarHBondContact OD1-CG 3.42Å; D141-R266 IonicContact OD1-CZ 3.34Å; D141-R266 IonicContact OD1-NE 3.12Å; D141-R266 PolarHBondContact OD1-NE 3.46Å; D141-R266 IonicContact OD2-CZ 2.91Å; D141-R266 IonicContact OD2-NE 2.69Å; D141-R266 PolarHBondContact OD2-NE 3.03Å; D141-R266 VanDerWaalsContact OD2-NE 3.12Å; D141-R266 IonicContact OD2-NH2 2.72Å; D141-R266 PolarHBondContact OD2-NH2 3.28Å; D141-S267 WeakPolarHBondContact CB-OG 3.34Å; D141-S267 PolarHBondContact OD1-OG 2.85Å
142A98.4Very high91.9Very high0 Ų049.7 Ų49.70%028%0.284CS..EExtended strand (participates in β ladder)trans-113.6159.7178.200000111.3Y180 E182 I184 M255 V265 S267 V268 D269A142-Y180 VanDerWaalsContact C-CD1 3.48Å; A142-Y180 VanDerWaalsContact O-CD1 3.29Å; A142-Y180 WeakPolarHBondContact O-CD1 3.31Å; A142-Y180 WeakPolarHBondContact O-CE1 3.16Å; A142-E182 VanDerWaalsContact CA-O 3.23Å; A142-E182 WeakPolarHBondContact CA-O 3.5Å; A142-I184 HydrophobicContact CB-CD1 4.05Å; A142-I184 HydrophobicContact CB-CG1 4.33Å; A142-M255 HydrophobicContact CB-CE 4Å; A142-V265 HydrophobicContact CB-CG1 3.81Å; A142-S267 PolarHBondContact N-O 2.82Å; A142-V268 CarbonylContact O-C 3.54Å; A142-V268 VanDerWaalsContact O-CA 3.27Å; A142-V268 WeakPolarHBondContact O-CA 3.45Å; A142-D269 PolarHBondContact O-N 2.92Å
143M98.5Very high92.7Very high16 Ų1656.3 Ų56.38%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-129.9155168.563.9164.1-70.900111S145 E174 A175 H178 Y180 E182 G183 I184 D269M143-S145 PolarHBondContact O-N 3.33Å; M143-E174 HydrophobicContact CE-CG 4.21Å; M143-E174 HydrophobicContact SD-CG 4.38Å; M143-A175 HydrophobicContact CG-CB 3.93Å; M143-A175 HydrophobicContact SD-CB 4.34Å; M143-H178 HydrophobicContact SD-CB 3.92Å; M143-Y180 HydrophobicContact CB-CD1 3.99Å; M143-Y180 HydrophobicContact CB-CD2 3.58Å; M143-Y180 HydrophobicContact CB-CE1 4.1Å; M143-Y180 HydrophobicContact CB-CE2 3.7Å; M143-Y180 HydrophobicContact CB-CG 3.73Å; M143-Y180 HydrophobicContact CG-CD2 3.59Å; M143-Y180 HydrophobicContact CG-CE2 4.11Å; M143-Y180 HydrophobicContact CG-CG 3.85Å; M143-Y180 HydrophobicContact SD-CD2 3.6Å; M143-Y180 VanDerWaalsContact SD-CD2 3.6Å; M143-Y180 HydrophobicContact SD-CE2 3.94Å; M143-Y180 HydrophobicContact SD-CG 4.43Å; M143-E182 PolarHBondContact N-O 2.95Å; M143-E182 VanDerWaalsContact N-O 3.14Å; M143-G183 CarbonylContact O-C 3.42Å; M143-G183 WeakPolarHBondContact O-CA 3.43Å; M143-I184 PolarHBondContact O-N 3.02Å; M143-D269 WeakPolarHBondContact CA-OD1 3.49Å; M143-D269 WeakPolarHBondContact CB-OD1 3.3Å
144V98.7Very high93.6Very high6 Ų657.4 Ų57.44%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-80.1113.3166.5-179.10000108.4I184 L186 R244 L247 V268 D269V144-I184 CarbonylContact C-O 3.6Å; V144-I184 WeakPolarHBondContact CA-O 3.2Å; V144-I184 HydrophobicContact CG2-CB 4.45Å; V144-L186 HydrophobicContact CG1-CD1 4.04Å; V144-L186 HydrophobicContact CG1-CD2 3.91Å; V144-L186 HydrophobicContact CG1-CG 3.8Å; V144-R244 HydrophobicContact CG2-CG 4.14Å; V144-L247 HydrophobicContact CG2-CD1 4.48Å; V144-V268 HydrophobicContact CG2-CG1 3.95Å; V144-D269 WeakPolarHBondContact CG2-OD2 3.42Å; V144-D269 PolarHBondContact N-OD1 3.07Å
145S98.5Very high94.2Very high4 Ų453.7 Ų53.73%0.02829%0.293CS..EExtended strand (participates in β ladder)trans-59.5147.1178.1158.30000111.6M143 W147 E174 I184M143-S145 PolarHBondContact O-N 3.33Å; S145-W147 WeakPolarHBondContact OG-CA 3.21Å; S145-W147 WeakPolarHBondContact OG-CB 3.33Å; S145-W147 PolarHBondContact OG-N 3.19Å; S145-W147 PolarHBondContact OG-O 2.96Å; S145-E174 PolarHBondContact OG-OE2 2.9Å; S145-E174 VanDerWaalsContact OG-OE2 3.1Å; S145-I184 PolarHBondContact N-O 3.42Å
146S97.7Very high94.7Very high87 Ų8756.1 Ų56.161%0.60831%0.308SS*.EExtended strand (participates in β ladder)trans-75.6-15.9171.266.50000112.4E174S146-E174 VanDerWaalsContact CB-OE1 3.28Å; S146-E174 WeakPolarHBondContact CB-OE1 3.09Å; S146-E174 PolarHBondContact N-OE1 3.05Å; S146-E174 PolarHBondContact N-OE2 3.15Å; S146-E174 PolarHBondContact OG-OE1 3.21Å; S146-E174 PolarHBondContact OG-OE2 2.83Å; S146-E174 VanDerWaalsContact OG-OE2 3.13Å
147W97.9Very high95.2Very high118 Ų11855.7 Ų55.745%0.44731%0.307SS..EExtended strand (participates in β ladder)trans-82.1131.6170.4-60.594.4000112.3S145 L170 V171S145-W147 WeakPolarHBondContact OG-CA 3.21Å; S145-W147 WeakPolarHBondContact OG-CB 3.33Å; S145-W147 PolarHBondContact OG-N 3.19Å; S145-W147 PolarHBondContact OG-O 2.96Å; W147-L170 HydrophobicContact CD2-CB 4.13Å; W147-L170 HydrophobicContact CD2-CD1 3.98Å; W147-L170 HydrophobicContact CE3-CD1 4Å; W147-L170 HydrophobicContact CG-CB 3.99Å; W147-L170 HydrophobicContact CH2-CD1 4.21Å; W147-L170 HydrophobicContact CZ2-CD1 4.2Å; W147-L170 HydrophobicContact CZ2-CD2 4.19Å; W147-L170 HydrophobicContact CZ3-CD1 4.12Å; W147-V171 HydrophobicContact CB-CG2 4.15Å
148N97.3Very high95.6Very high78 Ų7850.6 Ų50.642%0.41729%0.291SS..EExtended strand (participates in β ladder)trans-86.5156169.7-66-5.6000111.2L186N148-L186 CarbonylContact C-O 3.59Å; N148-L186 WeakPolarHBondContact CA-O 3.22Å
149R97.1Very high96Very high16 Ų1646.3 Ų46.36%0.0627%0.272CS..PPolyproline II helixtrans-68.3159.8163.5-62.6-60.5-72.7170.2-11.6110.2S167 S168 A185 L186 S193 E194R149-S167 PolarHBondContact NH1-OG 2.72Å; R149-S168 PolarHBondContact NH1-OG 2.9Å; R149-A185 HydrophobicContact CG-CB 3.66Å; R149-L186 PolarHBondContact N-O 3.49Å; R149-S193 WeakPolarHBondContact CG-OG 3.25Å; R149-E194 HydrophobicContact CG-CG 4.43Å; R149-E194 IonicContact CZ-OE1 3.47Å; R149-E194 IonicContact NE-OE1 3.43Å; R149-E194 PolarHBondContact NE-OE1 3.04Å; R149-E194 VanDerWaalsContact NE-OE1 3.1Å; R149-E194 IonicContact NH2-OE1 2.84Å; R149-E194 PolarHBondContact NH2-OE1 3.21Å
150A93.9Very high96.2Very high26 Ų2647.2 Ų47.222%0.21528%0.276CS..PPolyproline II helixtrans-58.5141.2-178.200000111.4I155 S216A150-I155 HydrophobicContact CB-CG2 3.51Å; A150-S216 WeakPolarHBondContact O-CB 3.1Å; A150-S216 PolarHBondContact O-OG 3.3Å
151A94.6Very high96.2Very high30 Ų3047.4 Ų47.425%0.24828%0.277CS..PPolyproline II helixtrans-61.5151.5171.900000110N153 T154 V188A151-N153 PolarHBondContact O-N 3.43Å; A151-T154 VanDerWaalsContact O-CB 3.27Å; A151-T154 WeakPolarHBondContact O-CB 3.3Å; A151-T154 PolarHBondContact O-N 3.24Å; A151-T154 VanDerWaalsContact O-N 3.11Å; A151-T154 PolarHBondContact O-OG1 2.97Å; A151-V188 HydrophobicContact CB-CB 4.43Å; A151-V188 HydrophobicContact CB-CG1 3.74Å; A151-V188 HydrophobicContact CB-CG2 4.01Å
152P91.1Very high96.3Very high88 Ų8846.4 Ų46.457%0.57128%0.276SS*.THydrogen-bonded Turntrans-48.8141.4170.8-27.335.2000111.4T154P152-T154 PolarHBondContact O-N 2.9Å; P152-T154 VanDerWaalsContact O-N 3.15Å
153N91.9Very high96.2Very high173 Ų17347.7 Ų47.793%0.92529%0.289SS*.THydrogen-bonded Turntrans59.919-179.8-159.846.3000115.6A151A151-N153 PolarHBondContact O-N 3.43Å
154T95.1Very high96Very high105 Ų10547.4 Ų47.464%0.64429%0.288SS*.THydrogen-bonded Turntrans-94-51.2169.8-58.90000111.4A151 P152A151-T154 VanDerWaalsContact O-CB 3.27Å; A151-T154 WeakPolarHBondContact O-CB 3.3Å; A151-T154 PolarHBondContact O-N 3.24Å; A151-T154 VanDerWaalsContact O-N 3.11Å; A151-T154 PolarHBondContact O-OG1 2.97Å; P152-T154 PolarHBondContact O-N 2.9Å; P152-T154 VanDerWaalsContact O-N 3.15Å
155I94.5Very high95.9Very high52 Ų5250.1 Ų50.127%0.26730%0.298SS..SBendtrans-141137.5168.7-160.7166.7000107.5Y68 A150 T157 N164Y68-I155 WeakPolarHBondContact OH-CG1 3.48Å; A150-I155 HydrophobicContact CB-CG2 3.51Å; I155-T157 PolarHBondContact O-N 3.45Å; I155-N164 WeakPolarHBondContact CD1-OD1 3.46Å; I155-N164 WeakPolarHBondContact CG1-OD1 3.28Å
156P95Very high95.9Very high55 Ų5555.4 Ų55.436%0.35733%0.326SS..  trans-64.5103.2-179-24.233.6000112.5I67 Y68 A158 A159 N164I67-P156 HydrophobicContact CG2-CB 3.43Å; I67-P156 VanDerWaalsContact CG2-CB 3.43Å; I67-P156 HydrophobicContact CG2-CG 3.56Å; Y68-P156 HydrophobicContact CE1-CG 4.44Å; Y68-P156 WeakPolarHBondContact OH-CD 3.48Å; P156-A158 PolarHBondContact O-N 3.28Å; P156-A159 HydrophobicContact CB-CB 4.35Å; P156-A159 PolarHBondContact O-N 3.11Å; P156-N164 PolarHBondContact O-ND2 3.28Å
157T94.8Very high95.8Very high28 Ų2852.8 Ų52.817%0.17231%0.307CS..THydrogen-bonded Turntrans-70.6-21179.354.60000113.1I155 A159 S216 L218I155-T157 PolarHBondContact O-N 3.45Å; T157-A159 PolarHBondContact O-N 2.74Å; T157-S216 WeakPolarHBondContact CG2-O 3.44Å; T157-L218 VanDerWaalsContact O-CD1 3.29Å; T157-L218 WeakPolarHBondContact O-CD1 3.49Å
158A94.7Very high95.8Very high48 Ų4847.6 Ų47.640%0.39729%0.289SS..THydrogen-bonded Turntrans-69.3-17.4172.700000113.4I67 P156 P219I67-A158 HydrophobicContact CD1-CB 4.28Å; P156-A158 PolarHBondContact O-N 3.28Å; A158-P219 HydrophobicContact CB-CG 4.44Å
159A97.4Very high95.8Very high2 Ų248.6 Ų48.62%0.01729%0.294CS..SBendtrans-91.6132.8175.700000111.1I67 Y68 P156 T157 A161 N164I67-A159 HydrophobicContact CB-CB 4.23Å; I67-A159 HydrophobicContact CD1-CB 3.86Å; I67-A159 HydrophobicContact CG2-CB 4.02Å; Y68-A159 HydrophobicContact CD2-CB 4Å; Y68-A159 HydrophobicContact CE2-CB 3.54Å; P156-A159 HydrophobicContact CB-CB 4.35Å; P156-A159 PolarHBondContact O-N 3.11Å; T157-A159 PolarHBondContact O-N 2.74Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A159-A161 PolarHBondContact O-N 2.55Å; A159-A161 VanDerWaalsContact O-N 3.12Å; A159-N164 PolarHBondContact O-ND2 2.66Å
160K98.3Very high95.8Very high20 Ų2051.3 Ų51.39%0.08731%0.309CS..  trans-87.674.4173.8-162174.3-179.273.70110.2V36 F37 S64 Y165 L218V36-K160 WeakPolarHBondContact CA-O 3.32Å; F37-K160 HydrophobicContact CD2-CD 4.45Å; F37-K160 HydrophobicContact CD2-CG 4.39Å; F37-K160 HydrophobicContact CE1-CG 4.47Å; F37-K160 HydrophobicContact CE2-CD 4.29Å; F37-K160 HydrophobicContact CE2-CG 4.11Å; F37-K160 HydrophobicContact CZ-CG 4.17Å; F37-K160 PolarHBondContact N-O 3.07Å; F37-K160 VanDerWaalsContact O-CD 3.32Å; F37-K160 WeakPolarHBondContact O-CD 3.43Å; F37-K160 WeakPolarHBondContact O-CG 3.31Å; S64-K160 PolarHBondContact OG-N 3.18Å; K160-Y165 HydrophobicContact CG-CE2 4.14Å; K160-Y165 PolarHBondContact NZ-OH 2.78Å; K160-L218 HydrophobicContact CB-CD1 4.14Å; K160-L218 HydrophobicContact CB-CD2 4.22Å; K160-L218 HydrophobicContact CD-CD2 3.95Å; K160-L218 HydrophobicContact CG-CD2 3.91Å
161A98.2Very high96.1Very high3 Ų350 Ų503%0.02530%0.299CS..BIsolated β-bridgetrans-106149.1-174.200000114S35 V36 Y68 A159 G163 N164 Y165S35-A161 CarbonylContact O-C 3.55Å; S35-A161 VanDerWaalsContact O-CA 3.22Å; S35-A161 WeakPolarHBondContact O-CA 3.28Å; S35-A161 WeakPolarHBondContact O-CB 3.44Å; V36-A161 HydrophobicContact CG1-CB 4.03Å; Y68-A161 HydrophobicContact CD2-CB 4.06Å; Y68-A161 HydrophobicContact CE2-CB 3.39Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A159-A161 PolarHBondContact O-N 2.55Å; A159-A161 VanDerWaalsContact O-N 3.12Å; A161-G163 PolarHBondContact O-N 3.44Å; A161-N164 WeakPolarHBondContact O-CB 3.44Å; A161-N164 PolarHBondContact O-N 3.3Å; A161-N164 VanDerWaalsContact O-N 3.16Å; A161-Y165 VanDerWaalsContact O-CD2 3.31Å; A161-Y165 WeakPolarHBondContact O-CD2 3.37Å
162G97.9Very high96.2Very high20 Ų2048.7 Ų48.721%0.20629%0.287CS..THydrogen-bonded Turntrans-57-46.4177.900000112.6S35 N164 Y165S35-G162 PolarHBondContact O-N 2.88Å; G162-N164 VanDerWaalsContact C-N 3.27Å; G162-N164 PolarHBondContact O-N 3.16Å; G162-Y165 WeakPolarHBondContact O-CB 3.34Å; G162-Y165 PolarHBondContact O-N 3.3Å
163G96.4Very high96.5Very high26 Ų2646.2 Ų46.227%0.26827%0.272SS..THydrogen-bonded Turntrans-57.3-36176.300000114G33 A161 Y165 L166G33-G163 PolarHBondContact O-N 2.93Å; A161-G163 PolarHBondContact O-N 3.44Å; G163-Y165 PolarHBondContact O-N 3.36Å; G163-L166 PolarHBondContact O-N 3.05Å
164N96.1Very high96.9Very high10 Ų1038.7 Ų38.75%0.05323%0.232CC..THydrogen-bonded Turntrans-65.4-28178.2-61.224.8000112.1Y68 I155 P156 A159 A161 G162 L166 S167Y68-N164 PolarHBondContact OH-OD1 3.08Å; I155-N164 WeakPolarHBondContact CD1-OD1 3.46Å; I155-N164 WeakPolarHBondContact CG1-OD1 3.28Å; P156-N164 PolarHBondContact O-ND2 3.28Å; A159-N164 PolarHBondContact O-ND2 2.66Å; A161-N164 WeakPolarHBondContact O-CB 3.44Å; A161-N164 PolarHBondContact O-N 3.3Å; A161-N164 VanDerWaalsContact O-N 3.16Å; G162-N164 VanDerWaalsContact C-N 3.27Å; G162-N164 PolarHBondContact O-N 3.16Å; N164-L166 VanDerWaalsContact C-N 3.28Å; N164-L166 PolarHBondContact O-N 2.87Å; N164-S167 PolarHBondContact O-N 2.88Å
165Y96.8Very high97Very high63 Ų6333.8 Ų33.825%0.24720%0.201CC..Hα-helixtrans-78.6-6.4-174.4-89-111.1000113.9F37 K160 A161 G162 G163 S167 S168 L169F37-Y165 AromaticContact CE1-CD2 3.68Å; F37-Y165 HydrophobicContact CE1-CD2 3.68Å; F37-Y165 AromaticContact CE1-CE2 3.86Å; F37-Y165 HydrophobicContact CE1-CE2 3.86Å; F37-Y165 HydrophobicContact CE1-CG 4.08Å; F37-Y165 HydrophobicContact CE2-CE1 4.37Å; F37-Y165 HydrophobicContact CE2-CE2 4.34Å; F37-Y165 AromaticContact CZ-CD1 3.84Å; F37-Y165 HydrophobicContact CZ-CD1 3.84Å; F37-Y165 AromaticContact CZ-CD2 3.52Å; F37-Y165 HydrophobicContact CZ-CD2 3.52Å; F37-Y165 AromaticContact CZ-CE1 3.69Å; F37-Y165 HydrophobicContact CZ-CE1 3.69Å; F37-Y165 AromaticContact CZ-CE2 3.37Å; F37-Y165 HydrophobicContact CZ-CE2 3.37Å; F37-Y165 AromaticContact CZ-CG 3.78Å; F37-Y165 HydrophobicContact CZ-CG 3.78Å; F37-Y165 AromaticContact CZ-CZ 3.47Å; F37-Y165 VanDerWaalsContact CZ-CZ 3.47Å; K160-Y165 HydrophobicContact CG-CE2 4.14Å; K160-Y165 PolarHBondContact NZ-OH 2.78Å; A161-Y165 VanDerWaalsContact O-CD2 3.31Å; A161-Y165 WeakPolarHBondContact O-CD2 3.37Å; G162-Y165 WeakPolarHBondContact O-CB 3.34Å; G162-Y165 PolarHBondContact O-N 3.3Å; G163-Y165 PolarHBondContact O-N 3.36Å; Y165-S167 VanDerWaalsContact C-N 3.26Å; Y165-S167 PolarHBondContact O-N 2.7Å; Y165-S168 WeakPolarHBondContact O-CB 3.05Å; Y165-S168 PolarHBondContact O-N 3.48Å; Y165-L169 PolarHBondContact O-N 3.42Å
166L96.5Very high97.2Very high116 Ų11637.3 Ų37.361%0.60721%0.211SC*.Hα-helixtrans-64.3-33.3168.3-65.3180000111.7G163 N164 L169 L170G163-L166 PolarHBondContact O-N 3.05Å; N164-L166 VanDerWaalsContact C-N 3.28Å; N164-L166 PolarHBondContact O-N 2.87Å; L166-L169 WeakPolarHBondContact O-CB 3.46Å; L166-L169 PolarHBondContact O-N 2.85Å; L166-L170 PolarHBondContact O-N 3.45Å
167S96.5Very high97.3Very high31 Ų3143.4 Ų43.422%0.21723%0.227CC..Hα-helixtrans-63.2-45.7171.1170.30000111R149 N164 Y165 L169 L170 V171R149-S167 PolarHBondContact NH1-OG 2.72Å; N164-S167 PolarHBondContact O-N 2.88Å; Y165-S167 VanDerWaalsContact C-N 3.26Å; Y165-S167 PolarHBondContact O-N 2.7Å; S167-L169 VanDerWaalsContact C-N 3.29Å; S167-L169 PolarHBondContact O-N 2.83Å; S167-L170 WeakPolarHBondContact O-CB 3.41Å; S167-L170 PolarHBondContact O-N 3.5Å; S167-L170 VanDerWaalsContact O-N 3.11Å; S167-V171 WeakPolarHBondContact O-CG2 3.21Å; S167-V171 PolarHBondContact O-N 3.23Å; S167-V171 VanDerWaalsContact O-N 3.12Å
168S97.1Very high97.5Very high9 Ų947.4 Ų47.46%0.06324%0.244CC..Hα-helixtrans-59.5-39176.7-61.60000112.8R149 Y165 L170 V171 G172 A196R149-S168 PolarHBondContact NH1-OG 2.9Å; Y165-S168 WeakPolarHBondContact O-CB 3.05Å; Y165-S168 PolarHBondContact O-N 3.48Å; S168-L170 VanDerWaalsContact C-N 3.32Å; S168-L170 PolarHBondContact O-N 3.01Å; S168-V171 PolarHBondContact O-N 3.24Å; S168-G172 PolarHBondContact O-N 3.18Å; S168-A196 WeakPolarHBondContact CB-O 3.5Å; S168-A196 WeakPolarHBondContact O-CB 3.29Å; S168-A196 PolarHBondContact OG-O 2.94Å
169L97.6Very high97.6Very high100 Ų10048.3 Ų48.352%0.52426%0.257SS..Hα-helixtrans-59-43.4174.617765.9000111.6Y165 L166 S167 S173Y165-L169 PolarHBondContact O-N 3.42Å; L166-L169 WeakPolarHBondContact O-CB 3.46Å; L166-L169 PolarHBondContact O-N 2.85Å; S167-L169 VanDerWaalsContact C-N 3.29Å; S167-L169 PolarHBondContact O-N 2.83Å; L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 3.42Å; L169-S173 PolarHBondContact O-OG 3.09Å
170L98.4Very high97.6Very high72 Ų7251 Ų5138%0.37727%0.268SS..Hα-helixtrans-65.2-49.4179.6-67.8171.1000111.6W147 L166 S167 S168 S173 E174W147-L170 HydrophobicContact CD2-CB 4.13Å; W147-L170 HydrophobicContact CD2-CD1 3.98Å; W147-L170 HydrophobicContact CE3-CD1 4Å; W147-L170 HydrophobicContact CG-CB 3.99Å; W147-L170 HydrophobicContact CH2-CD1 4.21Å; W147-L170 HydrophobicContact CZ2-CD1 4.2Å; W147-L170 HydrophobicContact CZ2-CD2 4.19Å; W147-L170 HydrophobicContact CZ3-CD1 4.12Å; L166-L170 PolarHBondContact O-N 3.45Å; S167-L170 WeakPolarHBondContact O-CB 3.41Å; S167-L170 PolarHBondContact O-N 3.5Å; S167-L170 VanDerWaalsContact O-N 3.11Å; S168-L170 VanDerWaalsContact C-N 3.32Å; S168-L170 PolarHBondContact O-N 3.01Å; L170-S173 PolarHBondContact O-N 3.45Å; L170-E174 WeakPolarHBondContact O-CB 3.41Å; L170-E174 PolarHBondContact O-N 3.07Å
171V98.5Very high97.5Very high0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-56.7-56.9179.71720000110.9W147 S167 S168 S173 E174 A175 G183 A185 A196W147-V171 HydrophobicContact CB-CG2 4.15Å; S167-V171 WeakPolarHBondContact O-CG2 3.21Å; S167-V171 PolarHBondContact O-N 3.23Å; S167-V171 VanDerWaalsContact O-N 3.12Å; S168-V171 PolarHBondContact O-N 3.24Å; V171-S173 VanDerWaalsContact C-N 3.32Å; V171-S173 PolarHBondContact O-N 3.43Å; V171-E174 PolarHBondContact O-N 2.91Å; V171-A175 PolarHBondContact O-N 3.11Å; V171-G183 WeakPolarHBondContact CG1-O 3.4Å; V171-A185 HydrophobicContact CG1-CB 4.31Å; V171-A185 HydrophobicContact CG2-CB 3.9Å; V171-A196 HydrophobicContact CB-CB 4.36Å; V171-A196 HydrophobicContact CG1-CB 4.17Å
172G97.6Very high97.4Very high1 Ų153 Ų531%0.0128%0.277CS..Hα-helixtrans-69.1-30.7-176.900000112.9S168 R176 E182S168-G172 PolarHBondContact O-N 3.18Å; G172-R176 VanDerWaalsContact C-CZ 3.41Å; G172-R176 WeakPolarHBondContact O-CG 3.35Å; G172-R176 PolarHBondContact O-N 3.12Å; G172-R176 VanDerWaalsContact O-N 3.11Å; G172-R176 PolarHBondContact O-NE 2.86Å; G172-R176 PolarHBondContact O-NH1 3.19Å; G172-R176 PolarHBondContact O-NH2 3.38Å; G172-E182 WeakPolarHBondContact CA-OE1 3.24Å
173S98Very high97.4Very high37 Ų3752.1 Ų52.126%0.25927%0.267SS..Hα-helixtrans-76.4-30.8178.9-56.80000112.4L169 L170 V171 R176 R177L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 3.42Å; L169-S173 PolarHBondContact O-OG 3.09Å; L170-S173 PolarHBondContact O-N 3.45Å; V171-S173 VanDerWaalsContact C-N 3.32Å; V171-S173 PolarHBondContact O-N 3.43Å; S173-R176 PolarHBondContact OG-NH2 2.89Å; S173-R177 VanDerWaalsContact O-CG 3.31Å; S173-R177 WeakPolarHBondContact O-CG 3.48Å; S173-R177 PolarHBondContact O-N 3.01Å; S173-R177 VanDerWaalsContact O-N 3.12Å
174E98.7Very high97.5Very high15 Ų1550.9 Ų50.97%0.0725%0.254CS..Hα-helixtrans-60.8-51.8168-178.6174.6-15300110.8M143 S145 S146 L170 V171 R176 R177 H178M143-E174 HydrophobicContact CE-CG 4.21Å; M143-E174 HydrophobicContact SD-CG 4.38Å; S145-E174 PolarHBondContact OG-OE2 2.9Å; S145-E174 VanDerWaalsContact OG-OE2 3.1Å; S146-E174 VanDerWaalsContact CB-OE1 3.28Å; S146-E174 WeakPolarHBondContact CB-OE1 3.09Å; S146-E174 PolarHBondContact N-OE1 3.05Å; S146-E174 PolarHBondContact N-OE2 3.15Å; S146-E174 PolarHBondContact OG-OE1 3.21Å; S146-E174 PolarHBondContact OG-OE2 2.83Å; S146-E174 VanDerWaalsContact OG-OE2 3.13Å; L170-E174 WeakPolarHBondContact O-CB 3.41Å; L170-E174 PolarHBondContact O-N 3.07Å; V171-E174 PolarHBondContact O-N 2.91Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.17Å; E174-R177 WeakPolarHBondContact O-CB 3.42Å; E174-R177 PolarHBondContact O-N 2.81Å; E174-H178 PolarHBondContact O-CD2 3.4Å; E174-H178 PolarHBondContact O-N 3.47Å; E174-H178 VanDerWaalsContact O-N 3.15Å
175A98.4Very high97.6Very high1 Ų150.4 Ų50.41%0.00825%0.252CS..Hα-helixtrans-52-51177.800000112.5M143 V171 R177 H178 G179 Y180 E182 G183M143-A175 HydrophobicContact CG-CB 3.93Å; M143-A175 HydrophobicContact SD-CB 4.34Å; V171-A175 PolarHBondContact O-N 3.11Å; A175-R177 VanDerWaalsContact C-N 3.33Å; A175-R177 PolarHBondContact O-N 2.95Å; A175-H178 CarbonylContact O-C 3.59Å; A175-H178 PolarHBondContact O-N 2.87Å; A175-G179 PolarHBondContact O-N 3.04Å; A175-Y180 CarbonylContact C-O 3.55Å; A175-Y180 PolarHBondContact O-N 2.61Å; A175-E182 WeakPolarHBondContact CB-O 3.48Å; A175-G183 VanDerWaalsContact CB-N 3.35Å
176R97.6Very high97.7Very high126 Ų12648.2 Ų48.248%0.47525%0.245SC..Hα-helixtrans-60-38.2177.9-74.1-177.5-72-86.30.9113.5G172 S173 E174 H178 G179 Y180G172-R176 VanDerWaalsContact C-CZ 3.41Å; G172-R176 WeakPolarHBondContact O-CG 3.35Å; G172-R176 PolarHBondContact O-N 3.12Å; G172-R176 VanDerWaalsContact O-N 3.11Å; G172-R176 PolarHBondContact O-NE 2.86Å; G172-R176 PolarHBondContact O-NH1 3.19Å; G172-R176 PolarHBondContact O-NH2 3.38Å; S173-R176 PolarHBondContact OG-NH2 2.89Å; E174-R176 VanDerWaalsContact C-N 3.34Å; E174-R176 PolarHBondContact O-N 3.17Å; R176-H178 PolarHBondContact O-N 3.32Å; R176-G179 PolarHBondContact O-N 2.78Å; R176-Y180 WeakPolarHBondContact CA-O 3.49Å
177R97.9Very high97.7Very high184 Ų18443 Ų4369%0.69422%0.217SC*.Hα-helixtrans-65.5-28.6176.5-75.9-174-551647.6112.6S173 E174 A175S173-R177 VanDerWaalsContact O-CG 3.31Å; S173-R177 WeakPolarHBondContact O-CG 3.48Å; S173-R177 PolarHBondContact O-N 3.01Å; S173-R177 VanDerWaalsContact O-N 3.12Å; E174-R177 WeakPolarHBondContact O-CB 3.42Å; E174-R177 PolarHBondContact O-N 2.81Å; A175-R177 VanDerWaalsContact C-N 3.33Å; A175-R177 PolarHBondContact O-N 2.95Å
178H97.9Very high97.7Very high112 Ų11244.7 Ų44.752%0.51923%0.226SC..THydrogen-bonded Turntrans-93.45.6178.1-68.5-66.3000113.6M143 E174 A175 R176 Y180M143-H178 HydrophobicContact SD-CB 3.92Å; E174-H178 PolarHBondContact O-CD2 3.4Å; E174-H178 PolarHBondContact O-N 3.47Å; E174-H178 VanDerWaalsContact O-N 3.15Å; A175-H178 CarbonylContact O-C 3.59Å; A175-H178 PolarHBondContact O-N 2.87Å; R176-H178 PolarHBondContact O-N 3.32Å; H178-Y180 HydrophobicContact CB-CD2 3.69Å; H178-Y180 HydrophobicContact CB-CE2 3.83Å
179G97.1Very high97.7Very high66 Ų6649.7 Ų49.768%0.6825%0.252SS*.THydrogen-bonded Turntrans84.97.3176.700000114.7A175 R176A175-G179 PolarHBondContact O-N 3.04Å; R176-G179 PolarHBondContact O-N 2.78Å
180Y97.6Very high97.7Very high59 Ų5946.5 Ų46.523%0.23124%0.244CC..  trans-87.5156.2172.6-59.5-86000110.6D141 A142 M143 A175 R176 H178D141-Y180 HydrophobicContact CB-CD1 4.08Å; A142-Y180 VanDerWaalsContact C-CD1 3.48Å; A142-Y180 VanDerWaalsContact O-CD1 3.29Å; A142-Y180 WeakPolarHBondContact O-CD1 3.31Å; A142-Y180 WeakPolarHBondContact O-CE1 3.16Å; M143-Y180 HydrophobicContact CB-CD1 3.99Å; M143-Y180 HydrophobicContact CB-CD2 3.58Å; M143-Y180 HydrophobicContact CB-CE1 4.1Å; M143-Y180 HydrophobicContact CB-CE2 3.7Å; M143-Y180 HydrophobicContact CB-CG 3.73Å; M143-Y180 HydrophobicContact CG-CD2 3.59Å; M143-Y180 HydrophobicContact CG-CE2 4.11Å; M143-Y180 HydrophobicContact CG-CG 3.85Å; M143-Y180 HydrophobicContact SD-CD2 3.6Å; M143-Y180 VanDerWaalsContact SD-CD2 3.6Å; M143-Y180 HydrophobicContact SD-CE2 3.94Å; M143-Y180 HydrophobicContact SD-CG 4.43Å; A175-Y180 CarbonylContact C-O 3.55Å; A175-Y180 PolarHBondContact O-N 2.61Å; R176-Y180 WeakPolarHBondContact CA-O 3.49Å; H178-Y180 HydrophobicContact CB-CD2 3.69Å; H178-Y180 HydrophobicContact CB-CE2 3.83Å
181Q96Very high97.7Very high65 Ų6548.1 Ų48.130%0.30425%0.245SC..SBendtrans-81.6-33.7178.4-72.3143.1-79.600111.8I140 D141I140-Q181 HydrophobicContact CB-CB 4Å; I140-Q181 HydrophobicContact CD1-CB 4.43Å; I140-Q181 HydrophobicContact CG2-CB 4.29Å; D141-Q181 PolarHBondContact O-N 2.93Å
182E96.9Very high97.7Very high1 Ų148.1 Ų48.11%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-148155.2179.2-16448.2-89.100113.4I140 A142 M143 G172 A175 A196 M255I140-E182 HydrophobicContact CD1-CB 3.64Å; A142-E182 VanDerWaalsContact CA-O 3.23Å; A142-E182 WeakPolarHBondContact CA-O 3.5Å; M143-E182 PolarHBondContact N-O 2.95Å; M143-E182 VanDerWaalsContact N-O 3.14Å; G172-E182 WeakPolarHBondContact CA-OE1 3.24Å; A175-E182 WeakPolarHBondContact CB-O 3.48Å; E182-A196 WeakPolarHBondContact OE1-CB 3.49Å; E182-M255 HydrophobicContact CB-CE 4.1Å; E182-M255 HydrophobicContact CB-SD 4.02Å; E182-M255 HydrophobicContact CG-CE 3.94Å; E182-M255 HydrophobicContact CG-SD 3.7Å
183G98Very high97.7Very high0 Ų048.1 Ų48.10%025%0.245CC..EExtended strand (participates in β ladder)trans-103.9140.6175.900000112.2M143 V171 A175 G195 A196M143-G183 CarbonylContact O-C 3.42Å; M143-G183 WeakPolarHBondContact O-CA 3.43Å; V171-G183 WeakPolarHBondContact CG1-O 3.4Å; A175-G183 VanDerWaalsContact CB-N 3.35Å; G183-G195 CarbonylContact O-C 3.58Å; G183-G195 WeakPolarHBondContact O-CA 3.09Å; G183-A196 PolarHBondContact O-N 3.11Å
184I98.7Very high97.7Very high0 Ų046.8 Ų46.80%024%0.235CC..EExtended strand (participates in β ladder)trans-101.6126.2169.1-62.2168.6000107.3A142 M143 V144 S145 I192 L200 L247 M255 V268A142-I184 HydrophobicContact CB-CD1 4.05Å; A142-I184 HydrophobicContact CB-CG1 4.33Å; M143-I184 PolarHBondContact O-N 3.02Å; V144-I184 CarbonylContact C-O 3.6Å; V144-I184 WeakPolarHBondContact CA-O 3.2Å; V144-I184 HydrophobicContact CG2-CB 4.45Å; S145-I184 PolarHBondContact N-O 3.42Å; I184-I192 HydrophobicContact CG2-CD1 4.41Å; I184-I192 HydrophobicContact CG2-CG2 4.41Å; I184-L200 HydrophobicContact CD1-CD1 4.16Å; I184-L200 HydrophobicContact CD1-CD2 4.13Å; I184-L200 HydrophobicContact CG1-CD1 4.34Å; I184-L200 HydrophobicContact CG2-CD2 4.09Å; I184-L247 HydrophobicContact CD1-CD1 3.84Å; I184-L247 HydrophobicContact CG2-CD1 4.31Å; I184-M255 HydrophobicContact CD1-CE 4.1Å; I184-M255 HydrophobicContact CG1-CE 3.48Å; I184-M255 VanDerWaalsContact CG1-CE 3.48Å; I184-V268 HydrophobicContact CD1-CG1 4.19Å; I184-V268 HydrophobicContact CD1-CG2 4.14Å
185A98.4Very high97.6Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-100.3147.2176.700000111.2R149 V171 S193 E194R149-A185 HydrophobicContact CG-CB 3.66Å; V171-A185 HydrophobicContact CG1-CB 4.31Å; V171-A185 HydrophobicContact CG2-CB 3.9Å; A185-S193 WeakPolarHBondContact O-CB 3.44Å; A185-S193 PolarHBondContact O-N 3.04Å; A185-E194 PolarHBondContact N-O 3.32Å
186L98.3Very high97.5Very high18 Ų1846.5 Ų46.59%0.09424%0.235CC..EExtended strand (participates in β ladder)trans-92.8158.2171.6-54.2-176.1000110.6V144 N148 R149 Y191 I192V144-L186 HydrophobicContact CG1-CD1 4.04Å; V144-L186 HydrophobicContact CG1-CD2 3.91Å; V144-L186 HydrophobicContact CG1-CG 3.8Å; N148-L186 CarbonylContact C-O 3.59Å; N148-L186 WeakPolarHBondContact CA-O 3.22Å; R149-L186 PolarHBondContact N-O 3.49Å; L186-Y191 CarbonylContact C-O 3.51Å; L186-Y191 WeakPolarHBondContact CA-O 3.49Å; L186-Y191 WeakPolarHBondContact CB-O 3.33Å; L186-I192 HydrophobicContact CD2-CD1 3.46Å; L186-I192 VanDerWaalsContact CD2-CD1 3.46Å
187D97.3Very high97.4Very high6 Ų642.1 Ų42.13%0.03223%0.229CC..  trans-72.9176.1161.580.43.7000110.8N189 G190 Y191D187-N189 PolarHBondContact O-N 3.3Å; D187-N189 VanDerWaalsContact OD1-CA 3.32Å; D187-N189 WeakPolarHBondContact OD1-CA 3.35Å; D187-N189 WeakPolarHBondContact OD1-CB 3.48Å; D187-N189 PolarHBondContact OD1-N 2.93Å; D187-G190 PolarHBondContact O-N 3.03Å; D187-G190 VanDerWaalsContact O-N 3.15Å; D187-G190 PolarHBondContact OD1-N 2.62Å; D187-Y191 PolarHBondContact N-O 3.11Å; D187-Y191 PolarHBondContact OD1-N 3.32Å
188V96.4Very high97.3Very high66 Ų6633.6 Ų33.640%0.420%0.197SC..THydrogen-bonded Turntrans-71.2-10.6-178.9-63.60000114.5A151A151-V188 HydrophobicContact CB-CB 4.43Å; A151-V188 HydrophobicContact CB-CG1 3.74Å; A151-V188 HydrophobicContact CB-CG2 4.01Å
189N96.4Very high97.4Very high115 Ų11528.8 Ų28.862%0.61518%0.175SC*.THydrogen-bonded Turntrans-93.7-1.7175-55.1-62.2000112.1D187 Y191D187-N189 PolarHBondContact O-N 3.3Å; D187-N189 VanDerWaalsContact OD1-CA 3.32Å; D187-N189 WeakPolarHBondContact OD1-CA 3.35Å; D187-N189 WeakPolarHBondContact OD1-CB 3.48Å; D187-N189 PolarHBondContact OD1-N 2.93Å; N189-Y191 HydrophobicContact CB-CD2 3.65Å; N189-Y191 HydrophobicContact CB-CE2 3.77Å
190G97Very high97.4Very high33 Ų3325.7 Ų25.734%0.3414%0.143SC..SBendtrans86.315.2-179.800000114.4D187D187-G190 PolarHBondContact O-N 3.03Å; D187-G190 VanDerWaalsContact O-N 3.15Å; D187-G190 PolarHBondContact OD1-N 2.62Å
191Y98.2Very high97.5Very high106 Ų10622.9 Ų22.942%0.41613%0.132SC..BIsolated β-bridgetrans-97157.7175.6-59.4-62.5000111.5L186 D187 N189 S193 V241 L242L186-Y191 CarbonylContact C-O 3.51Å; L186-Y191 WeakPolarHBondContact CA-O 3.49Å; L186-Y191 WeakPolarHBondContact CB-O 3.33Å; D187-Y191 PolarHBondContact N-O 3.11Å; D187-Y191 PolarHBondContact OD1-N 3.32Å; N189-Y191 HydrophobicContact CB-CD2 3.65Å; N189-Y191 HydrophobicContact CB-CE2 3.77Å; Y191-S193 PolarHBondContact O-N 2.91Å; Y191-V241 HydrophobicContact CD1-CG1 3.44Å; Y191-V241 VanDerWaalsContact CD1-CG1 3.44Å; Y191-V241 HydrophobicContact CD2-CG1 3.47Å; Y191-V241 VanDerWaalsContact CD2-CG1 3.47Å; Y191-V241 HydrophobicContact CE1-CG1 3.92Å; Y191-V241 HydrophobicContact CE2-CG1 3.96Å; Y191-V241 HydrophobicContact CG-CG1 3.2Å; Y191-L242 CarbonylContact C-O 3.5Å; Y191-L242 WeakPolarHBondContact CA-O 3.36Å; Y191-L242 WeakPolarHBondContact CB-O 3.32Å
192I98.4Very high97.6Very high0 Ų020.3 Ų20.30%012%0.12CC..EExtended strand (participates in β ladder)trans-60.1132.4178.2-58.3-50.3000110.5I184 L186 L200 P211 L242 S243 R244 L247I184-I192 HydrophobicContact CG2-CD1 4.41Å; I184-I192 HydrophobicContact CG2-CG2 4.41Å; L186-I192 HydrophobicContact CD2-CD1 3.46Å; L186-I192 VanDerWaalsContact CD2-CD1 3.46Å; I192-L200 HydrophobicContact CG2-CB 4.47Å; I192-L200 HydrophobicContact CG2-CD2 3.5Å; I192-P211 HydrophobicContact CB-CG 4.2Å; I192-P211 HydrophobicContact CG2-CG 3.74Å; I192-P211 WeakPolarHBondContact O-CB 3.22Å; I192-L242 HydrophobicContact CB-CB 4.07Å; I192-L242 HydrophobicContact CG1-CB 4.03Å; I192-L242 PolarHBondContact N-O 3.46Å; I192-S243 WeakPolarHBondContact CG1-O 3.43Å; I192-R244 HydrophobicContact CD1-CB 4.47Å; I192-L247 HydrophobicContact CD1-CD1 3.55Å; I192-L247 HydrophobicContact CD1-CG 4.05Å; I192-L247 HydrophobicContact CG1-CD1 4.2Å; I192-L247 HydrophobicContact CG1-CG 4.25Å
193S98Very high97.7Very high1 Ų120.3 Ų20.31%0.00712%0.12CC..EExtended strand (participates in β ladder)trans-108.5-84.2173.4-178.30000111.3R149 A185 Y191 P211 S215 S216R149-S193 WeakPolarHBondContact CG-OG 3.25Å; A185-S193 WeakPolarHBondContact O-CB 3.44Å; A185-S193 PolarHBondContact O-N 3.04Å; Y191-S193 PolarHBondContact O-N 2.91Å; S193-P211 WeakPolarHBondContact O-CG 3.23Å; S193-S215 WeakPolarHBondContact CA-O 3.15Å; S193-S215 WeakPolarHBondContact CB-O 3.44Å; S193-S215 PolarHBondContact OG-O 3.12Å; S193-S216 PolarHBondContact OG-O 2.97Å
194E97.7Very high97.7Very high9 Ų923.7 Ų23.74%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-159.9171.2-174.166.6178174.100109.9R149 A185 E198 A217 L218R149-E194 HydrophobicContact CG-CG 4.43Å; R149-E194 IonicContact CZ-OE1 3.47Å; R149-E194 IonicContact NE-OE1 3.43Å; R149-E194 PolarHBondContact NE-OE1 3.04Å; R149-E194 VanDerWaalsContact NE-OE1 3.1Å; R149-E194 IonicContact NH2-OE1 2.84Å; R149-E194 PolarHBondContact NH2-OE1 3.21Å; A185-E194 PolarHBondContact N-O 3.32Å; E194-E198 WeakPolarHBondContact CB-O 3.33Å; E194-A217 HydrophobicContact CB-CB 4.06Å; E194-A217 HydrophobicContact CG-CB 4.31Å; E194-L218 PolarHBondContact OE2-N 3.07Å
195G97.6Very high97.7Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-75.2-166.3170.900000113G183 G197 E198G183-G195 CarbonylContact O-C 3.58Å; G183-G195 WeakPolarHBondContact O-CA 3.09Å; G195-G197 VanDerWaalsContact C-N 3.35Å; G195-E198 PolarHBondContact N-O 3.15Å
196A96.5Very high97.7Very high9 Ų932.1 Ų32.17%0.07419%0.189CC..SBendtrans-65.6-38.6173.200000111.8S168 V171 E182 G183 E198S168-A196 WeakPolarHBondContact CB-O 3.5Å; S168-A196 WeakPolarHBondContact O-CB 3.29Å; S168-A196 PolarHBondContact OG-O 2.94Å; V171-A196 HydrophobicContact CB-CB 4.36Å; V171-A196 HydrophobicContact CG1-CB 4.17Å; E182-A196 WeakPolarHBondContact OE1-CB 3.49Å; G183-A196 PolarHBondContact O-N 3.11Å; A196-E198 PolarHBondContact N-OE2 3.44Å
197G95Very high97.7Very high34 Ų3432.1 Ų32.135%0.35119%0.19SC..SBendtrans-135.14.5-17900000114.8G195G195-G197 VanDerWaalsContact C-N 3.35Å
198E97.1Very high97.7Very high5 Ų531.8 Ų31.82%0.02319%0.188CC..  trans-128.1142-164.5-5473-153.100111.8E194 G195 A196 M255 S256 A260E194-E198 WeakPolarHBondContact CB-O 3.33Å; G195-E198 PolarHBondContact N-O 3.15Å; A196-E198 PolarHBondContact N-OE2 3.44Å; E198-M255 HydrophobicContact CB-CB 3.8Å; E198-M255 HydrophobicContact CB-CG 4.28Å; E198-M255 HydrophobicContact CB-SD 4.39Å; E198-M255 HydrophobicContact CG-CB 4.04Å; E198-M255 HydrophobicContact CG-SD 4.38Å; E198-S256 CarbonylContact C-O 3.51Å; E198-S256 WeakPolarHBondContact CA-O 3.28Å; E198-S256 WeakPolarHBondContact CB-O 3.38Å; E198-A260 HydrophobicContact CG-CB 3.45Å; E198-A260 VanDerWaalsContact CG-CB 3.45Å
199N98.3Very high97.9Very high11 Ų1129.4 Ų29.46%0.05917%0.173CC..EExtended strand (participates in β ladder)trans-76.2151.9163.3-58.6116000110.4L218 G220 R223 M255 S256N199-L218 PolarHBondContact ND2-O 2.73Å; N199-G220 WeakPolarHBondContact OD1-CA 3.39Å; N199-G220 PolarHBondContact OD1-N 2.67Å; N199-R223 HydrophobicContact CB-CB 4.08Å; N199-R223 HydrophobicContact CB-CG 4.17Å; N199-R223 WeakPolarHBondContact OD1-CB 3.33Å; N199-M255 CarbonylContact O-C 3.45Å; N199-M255 WeakPolarHBondContact O-CA 3.33Å; N199-S256 PolarHBondContact N-O 2.98Å; N199-S256 PolarHBondContact O-N 3.04Å; N199-S256 PolarHBondContact O-OG 3.26Å
200L98.4Very high98Very high1 Ų124 Ų241%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-106.1145.6-179.6-159.473.6000111.9I184 I192 T210 P211 L247 V253 M255I184-L200 HydrophobicContact CD1-CD1 4.16Å; I184-L200 HydrophobicContact CD1-CD2 4.13Å; I184-L200 HydrophobicContact CG1-CD1 4.34Å; I184-L200 HydrophobicContact CG2-CD2 4.09Å; I192-L200 HydrophobicContact CG2-CB 4.47Å; I192-L200 HydrophobicContact CG2-CD2 3.5Å; L200-T210 WeakPolarHBondContact O-CB 3.43Å; L200-T210 PolarHBondContact O-OG1 3.26Å; L200-P211 WeakPolarHBondContact O-CD 3.43Å; L200-L247 HydrophobicContact CD2-CD1 4.14Å; L200-L247 HydrophobicContact CD2-CD2 3.56Å; L200-L247 HydrophobicContact CD2-CG 4.49Å; L200-V253 HydrophobicContact CD1-CG1 3.92Å; L200-V253 HydrophobicContact CG-CG1 4.32Å; L200-M255 HydrophobicContact CD1-CE 4.21Å; L200-M255 HydrophobicContact CD1-CG 3.66Å
201F98.8Very high98Very high1 Ų122.6 Ų22.60%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-132.2145.7169.6-71.8-95.9000110.2L208 F209 T210 R223 I226 I227 V253 F254 S256F201-L208 HydrophobicContact CB-CD1 3.99Å; F201-L208 HydrophobicContact CD1-CD1 3.76Å; F201-L208 HydrophobicContact CD1-CD2 3.88Å; F201-L208 HydrophobicContact CD1-CG 3.75Å; F201-L208 HydrophobicContact CE1-CD2 3.99Å; F201-L208 HydrophobicContact CE1-CG 4.29Å; F201-L208 HydrophobicContact CG-CD1 4.27Å; F201-F209 VanDerWaalsContact CA-O 3.23Å; F201-F209 WeakPolarHBondContact CA-O 3.12Å; F201-T210 HydrophobicContact CD1-CG2 4.02Å; F201-T210 HydrophobicContact CE1-CG2 3.64Å; F201-T210 HydrophobicContact CZ-CG2 4.32Å; F201-R223 HydrophobicContact CE1-CG 4.44Å; F201-R223 HydrophobicContact CE2-CB 4.14Å; F201-R223 HydrophobicContact CE2-CG 3.67Å; F201-R223 HydrophobicContact CZ-CB 4.16Å; F201-R223 HydrophobicContact CZ-CG 3.39Å; F201-I226 HydrophobicContact CE1-CG2 3.96Å; F201-I226 HydrophobicContact CE2-CB 4.47Å; F201-I226 HydrophobicContact CE2-CD1 4.09Å; F201-I226 HydrophobicContact CE2-CG2 4.16Å; F201-I226 HydrophobicContact CZ-CB 4.09Å; F201-I226 HydrophobicContact CZ-CG2 3.72Å; F201-I227 HydrophobicContact CE1-CG1 4.13Å; F201-I227 HydrophobicContact CZ-CG1 4.23Å; F201-V253 WeakPolarHBondContact O-CA 3.43Å; F201-F254 HydrophobicContact CB-CD1 3.94Å; F201-F254 HydrophobicContact CB-CD2 4Å; F201-F254 HydrophobicContact CB-CE1 3.51Å; F201-F254 HydrophobicContact CB-CE2 3.54Å; F201-F254 HydrophobicContact CB-CG 4.19Å; F201-F254 HydrophobicContact CB-CZ 3.29Å; F201-F254 HydrophobicContact CD1-CE2 4.4Å; F201-F254 AromaticContact CD1-CZ 3.99Å; F201-F254 HydrophobicContact CD1-CZ 3.99Å; F201-F254 HydrophobicContact CD2-CD2 4.08Å; F201-F254 AromaticContact CD2-CE2 3.33Å; F201-F254 HydrophobicContact CD2-CE2 3.33Å; F201-F254 AromaticContact CD2-CZ 3.76Å; F201-F254 HydrophobicContact CD2-CZ 3.76Å; F201-F254 HydrophobicContact CE2-CE2 4.07Å; F201-F254 HydrophobicContact CG-CD2 4.35Å; F201-F254 HydrophobicContact CG-CE1 4.16Å; F201-F254 AromaticContact CG-CE2 3.52Å; F201-F254 HydrophobicContact CG-CE2 3.52Å; F201-F254 AromaticContact CG-CZ 3.43Å; F201-F254 HydrophobicContact CG-CZ 3.43Å; F201-F254 VanDerWaalsContact CG-CZ 3.43Å; F201-F254 PolarHBondContact N-O 2.88Å; F201-F254 PolarHBondContact O-N 2.77Å; F201-S256 WeakPolarHBondContact CE2-OG 3.47Å
202E98.5Very high97.9Very high10 Ų1018.6 Ų18.65%0.04712%0.116CC..EExtended strand (participates in β ladder)trans-126.7151.5166.869.5178.3-152.500110F209 L242 S246 A250 E252 V253E202-F209 HydrophobicContact CG-CB 3.78Å; E202-F209 HydrophobicContact CG-CD2 4.36Å; E202-F209 HydrophobicContact CG-CG 4.45Å; E202-F209 PolarHBondContact N-O 3.11Å; E202-F209 PolarHBondContact O-N 3.01Å; E202-L242 HydrophobicContact CG-CD1 3.96Å; E202-S246 VanDerWaalsContact CD-OG 3.31Å; E202-S246 WeakPolarHBondContact OE1-CB 3.28Å; E202-S246 PolarHBondContact OE1-OG 3.32Å; E202-S246 WeakPolarHBondContact OE2-CB 3.49Å; E202-S246 PolarHBondContact OE2-OG 3.41Å; E202-A250 HydrophobicContact CB-CB 3.92Å; E202-E252 CarbonylContact C-O 3.51Å; E202-E252 VanDerWaalsContact CA-O 3.3Å; E202-E252 WeakPolarHBondContact CA-O 3.37Å; E202-V253 HydrophobicContact CB-CG2 4.04Å
203V98.8Very high97.6Very high2 Ų222.8 Ų22.81%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-113.2129.5173.8-179.40000107.8V207 L208 D251 E252 V281V203-V207 WeakPolarHBondContact CA-O 3.27Å; V203-L208 HydrophobicContact CG2-CD1 3.79Å; V203-D251 PolarHBondContact O-N 3Å; V203-E252 HydrophobicContact CB-CB 3.89Å; V203-E252 HydrophobicContact CB-CG 4.12Å; V203-E252 HydrophobicContact CG2-CB 4.02Å; V203-E252 HydrophobicContact CG2-CG 4.44Å; V203-E252 PolarHBondContact N-O 3.43Å; V203-E252 PolarHBondContact O-N 3.07Å; V203-V281 HydrophobicContact CG1-CB 4.04Å; V203-V281 HydrophobicContact CG1-CG1 4.18Å; V203-V281 HydrophobicContact CG1-CG2 3.91Å; V203-V281 HydrophobicContact CG2-CB 3.94Å; V203-V281 HydrophobicContact CG2-CG1 3.59Å
204K98.6Very high97.3Very high71 Ų7128.1 Ų28.131%0.30917%0.167SC..EExtended strand (participates in β ladder)trans-137.7126.7171.4-172.171.2-165.4166.30110.7G206 V207 F209 L249 D251K204-G206 PolarHBondContact O-N 3.36Å; K204-G206 VanDerWaalsContact O-N 3.15Å; K204-V207 PolarHBondContact N-O 2.85Å; K204-V207 WeakPolarHBondContact O-CB 3.33Å; K204-V207 PolarHBondContact O-N 3.18Å; K204-F209 HydrophobicContact CB-CD2 4.27Å; K204-F209 HydrophobicContact CB-CE2 3.77Å; K204-L249 WeakPolarHBondContact CD-O 3.25Å; K204-L249 PolarHBondContact NZ-O 3.15Å; K204-D251 WeakPolarHBondContact CA-OD2 3.41Å; K204-D251 IonicContact NZ-OD1 2.72Å; K204-D251 PolarHBondContact NZ-OD1 3.37Å; K204-D251 IonicContact NZ-OD2 2.94Å
205D97.9Very high97.2Very high135 Ų13527.7 Ų27.772%0.72217%0.165SC*.THydrogen-bonded Turntrans5238.1179.5-58.8-47.5000112.4V207 D251D205-V207 VanDerWaalsContact C-N 3.26Å; D205-V207 PolarHBondContact O-N 2.78Å; D205-D251 PolarHBondContact N-OD2 3.32Å
206G97.7Very high97.1Very high41 Ų4127.9 Ų27.942%0.42317%0.166SC..THydrogen-bonded Turntrans77.4-1.5-17900000115.8K204K204-G206 PolarHBondContact O-N 3.36Å; K204-G206 VanDerWaalsContact O-N 3.15Å
207V98.7Very high97.1Very high18 Ų1827.6 Ų27.611%0.10916%0.164CC..EExtended strand (participates in β ladder)trans-92.4135174.8-177.70000109.6V203 K204 D205 F209 E236 R238V203-V207 WeakPolarHBondContact CA-O 3.27Å; K204-V207 PolarHBondContact N-O 2.85Å; K204-V207 WeakPolarHBondContact O-CB 3.33Å; K204-V207 PolarHBondContact O-N 3.18Å; D205-V207 VanDerWaalsContact C-N 3.26Å; D205-V207 PolarHBondContact O-N 2.78Å; V207-F209 HydrophobicContact CB-CD2 4.38Å; V207-F209 HydrophobicContact CB-CE2 3.54Å; V207-F209 HydrophobicContact CB-CZ 3.71Å; V207-F209 HydrophobicContact CG1-CD1 4.46Å; V207-F209 HydrophobicContact CG1-CD2 4.24Å; V207-F209 HydrophobicContact CG1-CE1 3.95Å; V207-F209 HydrophobicContact CG1-CE2 3.64Å; V207-F209 HydrophobicContact CG1-CZ 3.49Å; V207-F209 VanDerWaalsContact CG1-CZ 3.49Å; V207-F209 VanDerWaalsContact O-CD2 3.3Å; V207-F209 WeakPolarHBondContact O-CD2 3.29Å; V207-F209 WeakPolarHBondContact O-CE2 3.2Å; V207-E236 HydrophobicContact CG1-CB 4.19Å; V207-E236 HydrophobicContact CG1-CG 4.14Å; V207-E236 HydrophobicContact CG2-CB 4.31Å; V207-R238 HydrophobicContact CG1-CB 4.5Å; V207-R238 HydrophobicContact CG1-CG 3.99Å
208L98.8Very high97.1Very high0 Ų026.7 Ų26.70%015%0.151CC..EExtended strand (participates in β ladder)trans-92.3121.1176.7-177.668.4000110.2F201 V203 I226 A230 I235 E236 V237 R238 F254 I285F201-L208 HydrophobicContact CB-CD1 3.99Å; F201-L208 HydrophobicContact CD1-CD1 3.76Å; F201-L208 HydrophobicContact CD1-CD2 3.88Å; F201-L208 HydrophobicContact CD1-CG 3.75Å; F201-L208 HydrophobicContact CE1-CD2 3.99Å; F201-L208 HydrophobicContact CE1-CG 4.29Å; F201-L208 HydrophobicContact CG-CD1 4.27Å; V203-L208 HydrophobicContact CG2-CD1 3.79Å; L208-I226 HydrophobicContact CD2-CG2 4.15Å; L208-A230 HydrophobicContact CD2-CB 3.82Å; L208-I235 HydrophobicContact CB-CG2 3.93Å; L208-E236 PolarHBondContact N-O 3.36Å; L208-V237 HydrophobicContact CB-CG2 4.37Å; L208-V237 HydrophobicContact CD2-CG1 4.48Å; L208-V237 HydrophobicContact CD2-CG2 4.18Å; L208-V237 CarbonylContact O-C 3.49Å; L208-V237 VanDerWaalsContact O-CA 3.3Å; L208-V237 WeakPolarHBondContact O-CA 3.45Å; L208-R238 PolarHBondContact O-N 2.82Å; L208-F254 HydrophobicContact CD1-CE1 3.6Å; L208-F254 HydrophobicContact CD1-CZ 3.81Å; L208-I285 HydrophobicContact CD1-CD1 4.32Å; L208-I285 HydrophobicContact CD2-CD1 3.87Å
209F98.7Very high97.1Very high16 Ų1628.3 Ų28.37%0.0716%0.162CC..EExtended strand (participates in β ladder)trans-111.3148179.4-58.5-90.9000111.5F201 E202 K204 V207 R238 Q240 L242F201-F209 VanDerWaalsContact CA-O 3.23Å; F201-F209 WeakPolarHBondContact CA-O 3.12Å; E202-F209 HydrophobicContact CG-CB 3.78Å; E202-F209 HydrophobicContact CG-CD2 4.36Å; E202-F209 HydrophobicContact CG-CG 4.45Å; E202-F209 PolarHBondContact N-O 3.11Å; E202-F209 PolarHBondContact O-N 3.01Å; K204-F209 HydrophobicContact CB-CD2 4.27Å; K204-F209 HydrophobicContact CB-CE2 3.77Å; V207-F209 HydrophobicContact CB-CD2 4.38Å; V207-F209 HydrophobicContact CB-CE2 3.54Å; V207-F209 HydrophobicContact CB-CZ 3.71Å; V207-F209 HydrophobicContact CG1-CD1 4.46Å; V207-F209 HydrophobicContact CG1-CD2 4.24Å; V207-F209 HydrophobicContact CG1-CE1 3.95Å; V207-F209 HydrophobicContact CG1-CE2 3.64Å; V207-F209 HydrophobicContact CG1-CZ 3.49Å; V207-F209 VanDerWaalsContact CG1-CZ 3.49Å; V207-F209 VanDerWaalsContact O-CD2 3.3Å; V207-F209 WeakPolarHBondContact O-CD2 3.29Å; V207-F209 WeakPolarHBondContact O-CE2 3.2Å; F209-R238 WeakPolarHBondContact CA-O 3.36Å; F209-R238 HydrophobicContact CD1-CB 3.72Å; F209-R238 HydrophobicContact CE1-CB 3.94Å; F209-R238 HydrophobicContact CE1-CG 4.3Å; F209-Q240 HydrophobicContact CD1-CG 3.87Å; F209-Q240 VanDerWaalsContact CD1-NE2 3.31Å; F209-L242 HydrophobicContact CB-CD1 4.19Å; F209-L242 HydrophobicContact CB-CD2 4.04Å
210T98.6Very high97Very high1 Ų128.2 Ų28.21%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-151.5147.7171-179.70000110.1L200 F201 R223 I227 R238 E239 Q240L200-T210 WeakPolarHBondContact O-CB 3.43Å; L200-T210 PolarHBondContact O-OG1 3.26Å; F201-T210 HydrophobicContact CD1-CG2 4.02Å; F201-T210 HydrophobicContact CE1-CG2 3.64Å; F201-T210 HydrophobicContact CZ-CG2 4.32Å; T210-R223 PolarHBondContact OG1-NE 2.91Å; T210-R223 VanDerWaalsContact OG1-NE 3.14Å; T210-I227 HydrophobicContact CG2-CD1 4.35Å; T210-R238 PolarHBondContact N-O 2.88Å; T210-R238 VanDerWaalsContact N-O 3.13Å; T210-E239 HydrophobicContact CG2-CG 4.05Å; T210-E239 WeakPolarHBondContact O-CA 3.47Å; T210-Q240 PolarHBondContact O-N 2.91Å; T210-Q240 VanDerWaalsContact O-N 3.09Å
211P98.2Very high97Very high3 Ų328.8 Ų28.82%0.01917%0.166CC..  trans-59.3142.7176.5-25.836.6000112.2I192 S193 L200 R223 Q240 L242I192-P211 HydrophobicContact CB-CG 4.2Å; I192-P211 HydrophobicContact CG2-CG 3.74Å; I192-P211 WeakPolarHBondContact O-CB 3.22Å; S193-P211 WeakPolarHBondContact O-CG 3.23Å; L200-P211 WeakPolarHBondContact O-CD 3.43Å; P211-R223 PolarHBondContact O-NH2 3.22Å; P211-Q240 WeakPolarHBondContact CA-O 3.3Å; P211-L242 HydrophobicContact CG-CD1 4.19Å
212P96.3Very high97Very high22 Ų2228.9 Ų28.914%0.14317%0.167CC..  trans-70.1160.5171.132.2-37.6000110.3T214 S215 Q240 V241P212-T214 WeakPolarHBondContact CG-OG1 2.97Å; P212-T214 PolarHBondContact O-N 3.43Å; P212-T214 VanDerWaalsContact O-N 3.08Å; P212-S215 WeakPolarHBondContact O-CB 3.47Å; P212-S215 PolarHBondContact O-N 2.86Å; P212-Q240 WeakPolarHBondContact CD-O 3.24Å; P212-V241 HydrophobicContact CG-CG2 4.28Å
213F92.1Very high97Very high88 Ų8828.7 Ų28.739%0.38617%0.166SC..THydrogen-bonded Turntrans-64.3-16.4177.2-58.2-35.4000114S215 P219F213-S215 PolarHBondContact O-N 2.86Å; F213-P219 HydrophobicContact CD1-CB 4.34Å; F213-P219 HydrophobicContact CD1-CG 4.2Å; F213-P219 HydrophobicContact CD2-CB 4.27Å; F213-P219 HydrophobicContact CD2-CG 4.08Å; F213-P219 VanDerWaalsContact CE1-CA 3.5Å; F213-P219 HydrophobicContact CE1-CB 4Å; F213-P219 HydrophobicContact CE1-CG 4.36Å; F213-P219 HydrophobicContact CE2-CB 3.89Å; F213-P219 HydrophobicContact CE2-CG 4.21Å; F213-P219 HydrophobicContact CG-CB 4.49Å; F213-P219 HydrophobicContact CG-CG 4.08Å; F213-P219 HydrophobicContact CZ-CB 3.74Å; F213-P219 HydrophobicContact CZ-CG 4.35Å
214T91.6Very high97Very high113 Ų11330.9 Ų30.969%0.69318%0.177SC*.THydrogen-bonded Turntrans-67-1617150.80000113.1P212 S216P212-T214 WeakPolarHBondContact CG-OG1 2.97Å; P212-T214 PolarHBondContact O-N 3.43Å; P212-T214 VanDerWaalsContact O-N 3.08Å; T214-S216 PolarHBondContact O-N 2.95Å
215S95.6Very high97Very high1 Ų127.5 Ų27.51%0.00716%0.163CC..SBendtrans-84.235.9174.4-60.70000112.1S193 P212 F213 A217S193-S215 WeakPolarHBondContact CA-O 3.15Å; S193-S215 WeakPolarHBondContact CB-O 3.44Å; S193-S215 PolarHBondContact OG-O 3.12Å; P212-S215 WeakPolarHBondContact O-CB 3.47Å; P212-S215 PolarHBondContact O-N 2.86Å; F213-S215 PolarHBondContact O-N 2.86Å; S215-A217 PolarHBondContact O-N 3.01Å
216S95.1Very high97Very high4 Ų421 Ų213%0.02813%0.128CC..SBendtrans56.824.1176.4-65.90000116.3A150 T157 S193 T214A150-S216 WeakPolarHBondContact O-CB 3.1Å; A150-S216 PolarHBondContact O-OG 3.3Å; T157-S216 WeakPolarHBondContact CG2-O 3.44Å; S193-S216 PolarHBondContact OG-O 2.97Å; T214-S216 PolarHBondContact O-N 2.95Å
217A95.1Very high97Very high3 Ų319.6 Ų19.63%0.02511%0.111CC..  trans-94.8150.1179.200000112.3E194 S215E194-A217 HydrophobicContact CB-CB 4.06Å; E194-A217 HydrophobicContact CG-CB 4.31Å; S215-A217 PolarHBondContact O-N 3.01Å
218L96.8Very high97Very high14 Ų1422.1 Ų22.17%0.07312%0.12CC..  trans-72.5134.4173.3-17971.2000110T157 K160 E194 N199 G220T157-L218 VanDerWaalsContact O-CD1 3.29Å; T157-L218 WeakPolarHBondContact O-CD1 3.49Å; K160-L218 HydrophobicContact CB-CD1 4.14Å; K160-L218 HydrophobicContact CB-CD2 4.22Å; K160-L218 HydrophobicContact CD-CD2 3.95Å; K160-L218 HydrophobicContact CG-CD2 3.91Å; E194-L218 PolarHBondContact OE2-N 3.07Å; N199-L218 PolarHBondContact ND2-O 2.73Å; L218-G220 PolarHBondContact O-N 2.67Å
219P96.1Very high97Very high40 Ų4022.3 Ų22.326%0.2612%0.121SC..  trans-62.595.1171.6-25.236000112.7R60 A158 F213R60-P219 PolarHBondContact NH1-O 2.88Å; A158-P219 HydrophobicContact CB-CG 4.44Å; F213-P219 HydrophobicContact CD1-CB 4.34Å; F213-P219 HydrophobicContact CD1-CG 4.2Å; F213-P219 HydrophobicContact CD2-CB 4.27Å; F213-P219 HydrophobicContact CD2-CG 4.08Å; F213-P219 VanDerWaalsContact CE1-CA 3.5Å; F213-P219 HydrophobicContact CE1-CB 4Å; F213-P219 HydrophobicContact CE1-CG 4.36Å; F213-P219 HydrophobicContact CE2-CB 3.89Å; F213-P219 HydrophobicContact CE2-CG 4.21Å; F213-P219 HydrophobicContact CG-CB 4.49Å; F213-P219 HydrophobicContact CG-CG 4.08Å; F213-P219 HydrophobicContact CZ-CB 3.74Å; F213-P219 HydrophobicContact CZ-CG 4.35Å
220G97.4Very high97Very high8 Ų821.6 Ų21.68%0.08212%0.118CC..  trans-74.8130.7-176.700000114N199 L218 R223 D224N199-G220 WeakPolarHBondContact OD1-CA 3.39Å; N199-G220 PolarHBondContact OD1-N 2.67Å; L218-G220 PolarHBondContact O-N 2.67Å; G220-R223 WeakPolarHBondContact O-CB 3.32Å; G220-R223 PolarHBondContact O-N 2.91Å; G220-D224 WeakPolarHBondContact O-CB 3.38Å; G220-D224 PolarHBondContact O-N 3.46Å
221I98.4Very high97Very high13 Ų1327.9 Ų27.97%0.06715%0.145CC..Hα-helixtrans-71.1-40.3173.7-69168.6000110.8R53 E56 H57 R60 D224 A225R53-I221 HydrophobicContact CB-CG2 3.61Å; R53-I221 HydrophobicContact CG-CG2 4.17Å; R53-I221 PolarHBondContact NH1-O 2.69Å; E56-I221 HydrophobicContact CB-CD1 4.13Å; E56-I221 HydrophobicContact CB-CG1 4.41Å; H57-I221 HydrophobicContact CB-CD1 4.17Å; H57-I221 WeakPolarHBondContact ND1-CD1 3.27Å; R60-I221 HydrophobicContact CB-CD1 4.45Å; I221-D224 PolarHBondContact O-N 2.84Å; I221-A225 PolarHBondContact O-N 2.91Å
222T98Very high97Very high4 Ų433.1 Ų33.13%0.02517%0.169CC..Hα-helixtrans-64.5-42.8171.6-46.20000111.1D224 A225 I226 G257 F289T222-D224 PolarHBondContact O-N 2.88Å; T222-A225 WeakPolarHBondContact O-CB 3.03Å; T222-A225 PolarHBondContact O-N 2.69Å; T222-A225 VanDerWaalsContact O-N 3.17Å; T222-I226 HydrophobicContact CG2-CD1 4.1Å; T222-I226 VanDerWaalsContact O-CG1 3.3Å; T222-I226 WeakPolarHBondContact O-CG1 3.37Å; T222-I226 PolarHBondContact O-N 3.23Å; T222-G257 PolarHBondContact OG1-O 2.88Å; T222-F289 HydrophobicContact CG2-CE2 4.05Å; T222-F289 HydrophobicContact CG2-CZ 4.22Å
223R98.3Very high97Very high5 Ų534.6 Ų34.62%0.01918%0.176CC..Hα-helixtrans-54.7-49.5173.8-177.1-165.3179.1-97.412.6111.5N199 F201 T210 P211 G220 A225 I226 I227 E239N199-R223 HydrophobicContact CB-CB 4.08Å; N199-R223 HydrophobicContact CB-CG 4.17Å; N199-R223 WeakPolarHBondContact OD1-CB 3.33Å; F201-R223 HydrophobicContact CE1-CG 4.44Å; F201-R223 HydrophobicContact CE2-CB 4.14Å; F201-R223 HydrophobicContact CE2-CG 3.67Å; F201-R223 HydrophobicContact CZ-CB 4.16Å; F201-R223 HydrophobicContact CZ-CG 3.39Å; T210-R223 PolarHBondContact OG1-NE 2.91Å; T210-R223 VanDerWaalsContact OG1-NE 3.14Å; P211-R223 PolarHBondContact O-NH2 3.22Å; G220-R223 WeakPolarHBondContact O-CB 3.32Å; G220-R223 PolarHBondContact O-N 2.91Å; R223-A225 VanDerWaalsContact C-N 3.33Å; R223-A225 PolarHBondContact O-N 2.72Å; R223-I226 WeakPolarHBondContact O-CB 3.09Å; R223-I226 PolarHBondContact O-N 3.22Å; R223-I227 HydrophobicContact CG-CD1 4.28Å; R223-I227 VanDerWaalsContact NH1-CD1 3.3Å; R223-I227 WeakPolarHBondContact O-CG1 3.33Å; R223-I227 PolarHBondContact O-N 2.76Å; R223-E239 IonicContact CZ-OE2 3.22Å; R223-E239 VanDerWaalsContact CZ-OE2 3.24Å; R223-E239 IonicContact NH1-OE2 3.02Å; R223-E239 PolarHBondContact NH1-OE2 2.81Å; R223-E239 IonicContact NH2-OE2 2.88Å; R223-E239 PolarHBondContact NH2-OE2 3.37Å
224D98.2Very high97.3Very high48 Ų4833.7 Ų33.726%0.25719%0.192SC..Hα-helixtrans-62.5-37.7178.2174.7-110.3000112.8R53 G220 I221 T222 I227 K228R53-D224 IonicContact CZ-OD1 3.55Å; R53-D224 IonicContact NH1-OD1 3.18Å; R53-D224 PolarHBondContact NH1-OD1 2.79Å; R53-D224 IonicContact NH2-OD1 3.63Å; R53-D224 PolarHBondContact NH2-OD1 3.19Å; G220-D224 WeakPolarHBondContact O-CB 3.38Å; G220-D224 PolarHBondContact O-N 3.46Å; I221-D224 PolarHBondContact O-N 2.84Å; T222-D224 PolarHBondContact O-N 2.88Å; D224-I227 PolarHBondContact O-N 2.84Å; D224-K228 PolarHBondContact O-N 2.97Å; D224-K228 IonicContact OD1-NZ 2.8Å; D224-K228 PolarHBondContact OD1-NZ 3.43Å; D224-K228 IonicContact OD2-NZ 3.68Å; D224-K228 PolarHBondContact OD2-NZ 3.01Å
225A98.5Very high97.7Very high0 Ų028.8 Ų28.80%016%0.161CC..Hα-helixtrans-64.8-43.6174.200000111.7F52 I221 T222 R223 I227 K228 L229 W303F52-A225 HydrophobicContact CE1-CB 4.36Å; F52-A225 HydrophobicContact CZ-CB 3.75Å; I221-A225 PolarHBondContact O-N 2.91Å; T222-A225 WeakPolarHBondContact O-CB 3.03Å; T222-A225 PolarHBondContact O-N 2.69Å; T222-A225 VanDerWaalsContact O-N 3.17Å; R223-A225 VanDerWaalsContact C-N 3.33Å; R223-A225 PolarHBondContact O-N 2.72Å; A225-I227 PolarHBondContact O-N 3Å; A225-K228 PolarHBondContact O-N 3.29Å; A225-L229 WeakPolarHBondContact O-CG 3.29Å; A225-L229 PolarHBondContact O-N 2.77Å; A225-W303 HydrophobicContact CB-CE3 4.41Å; A225-W303 HydrophobicContact CB-CH2 3.86Å; A225-W303 HydrophobicContact CB-CZ2 4.42Å; A225-W303 HydrophobicContact CB-CZ3 3.84Å
226I98.6Very high97.8Very high0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-59.2-45.4176.9-71.3167.5000111.2F201 L208 T222 R223 K228 L229 A230 F254 S256 I262 I285F201-I226 HydrophobicContact CE1-CG2 3.96Å; F201-I226 HydrophobicContact CE2-CB 4.47Å; F201-I226 HydrophobicContact CE2-CD1 4.09Å; F201-I226 HydrophobicContact CE2-CG2 4.16Å; F201-I226 HydrophobicContact CZ-CB 4.09Å; F201-I226 HydrophobicContact CZ-CG2 3.72Å; L208-I226 HydrophobicContact CD2-CG2 4.15Å; T222-I226 HydrophobicContact CG2-CD1 4.1Å; T222-I226 VanDerWaalsContact O-CG1 3.3Å; T222-I226 WeakPolarHBondContact O-CG1 3.37Å; T222-I226 PolarHBondContact O-N 3.23Å; R223-I226 WeakPolarHBondContact O-CB 3.09Å; R223-I226 PolarHBondContact O-N 3.22Å; I226-K228 VanDerWaalsContact C-N 3.29Å; I226-K228 PolarHBondContact O-N 3.29Å; I226-L229 PolarHBondContact O-N 3.36Å; I226-A230 WeakPolarHBondContact O-CB 3.22Å; I226-A230 PolarHBondContact O-N 3.43Å; I226-F254 HydrophobicContact CD1-CE2 4Å; I226-F254 HydrophobicContact CG2-CE2 4.31Å; I226-F254 HydrophobicContact CG2-CZ 4.12Å; I226-S256 VanDerWaalsContact CD1-CB 3.42Å; I226-I262 HydrophobicContact CD1-CD1 3.74Å; I226-I262 HydrophobicContact CD1-CG1 3.79Å; I226-I262 HydrophobicContact CG1-CD1 3.72Å; I226-I262 HydrophobicContact CG1-CG1 4.31Å; I226-I285 HydrophobicContact CB-CG2 4.4Å; I226-I285 HydrophobicContact CG1-CG2 4.12Å; I226-I285 HydrophobicContact CG2-CD1 4.44Å; I226-I285 HydrophobicContact CG2-CG2 3.83Å
227I98.5Very high98Very high11 Ų1134.5 Ų34.56%0.05619%0.189CC..Hα-helixtrans-60-41.7178.5-66.9172.4000110.9F201 T210 R223 D224 A225 K231 V237F201-I227 HydrophobicContact CE1-CG1 4.13Å; F201-I227 HydrophobicContact CZ-CG1 4.23Å; T210-I227 HydrophobicContact CG2-CD1 4.35Å; R223-I227 HydrophobicContact CG-CD1 4.28Å; R223-I227 VanDerWaalsContact NH1-CD1 3.3Å; R223-I227 WeakPolarHBondContact O-CG1 3.33Å; R223-I227 PolarHBondContact O-N 2.76Å; D224-I227 PolarHBondContact O-N 2.84Å; A225-I227 PolarHBondContact O-N 3Å; I227-K231 HydrophobicContact CG2-CD 4.42Å; I227-K231 WeakPolarHBondContact O-CG 3.41Å; I227-K231 PolarHBondContact O-N 3.24Å; I227-V237 HydrophobicContact CB-CG1 4.48Å; I227-V237 HydrophobicContact CG1-CG1 4.05Å; I227-V237 HydrophobicContact CG2-CB 4.48Å; I227-V237 HydrophobicContact CG2-CG1 4.06Å
228K98.5Very high98.1Very high71 Ų7139.4 Ų39.431%0.30921%0.207SC..Hα-helixtrans-69.1-44.4178.5-73.5175.9171.588.40112.1D224 A225 I226 K231 E232 W303D224-K228 PolarHBondContact O-N 2.97Å; D224-K228 IonicContact OD1-NZ 2.8Å; D224-K228 PolarHBondContact OD1-NZ 3.43Å; D224-K228 IonicContact OD2-NZ 3.68Å; D224-K228 PolarHBondContact OD2-NZ 3.01Å; A225-K228 PolarHBondContact O-N 3.29Å; I226-K228 VanDerWaalsContact C-N 3.29Å; I226-K228 PolarHBondContact O-N 3.29Å; K228-K231 PolarHBondContact O-N 2.91Å; K228-E232 PolarHBondContact O-N 2.9Å; K228-E232 VanDerWaalsContact O-N 3.15Å; K228-W303 HydrophobicContact CB-CH2 3.94Å; K228-W303 HydrophobicContact CB-CZ2 4.26Å; K228-W303 HydrophobicContact CD-CH2 4.07Å; K228-W303 HydrophobicContact CD-CZ2 3.52Å
229L98.5Very high98.2Very high4 Ų443.7 Ų43.72%0.02123%0.227CC..Hα-helixtrans-63.4-42.4176-69.4168.4000111.8A225 I226 K231 E232 L233 A288 F289 L292 T297 W301 W303A225-L229 WeakPolarHBondContact O-CG 3.29Å; A225-L229 PolarHBondContact O-N 2.77Å; I226-L229 PolarHBondContact O-N 3.36Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 3.39Å; L229-E232 PolarHBondContact O-N 3.16Å; L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.89Å; L229-A288 HydrophobicContact CB-CB 4.49Å; L229-A288 HydrophobicContact CD2-CB 4.26Å; L229-F289 HydrophobicContact CD1-CB 3.96Å; L229-F289 HydrophobicContact CD1-CD2 4.14Å; L229-L292 HydrophobicContact CD1-CD1 4.42Å; L229-T297 HydrophobicContact CD2-CG2 4.27Å; L229-W301 HydrophobicContact CD2-CH2 3.88Å; L229-W301 HydrophobicContact CD2-CZ3 3.9Å; L229-W303 HydrophobicContact CD1-CZ3 4.46Å; L229-W303 HydrophobicContact CD2-CZ3 4.4Å; L229-W303 HydrophobicContact CG-CZ3 4.23Å
230A98.5Very high98.2Very high0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-59.5-42.7176.900000111.7L208 I226 L233 G234 I235 V237 I285L208-A230 HydrophobicContact CD2-CB 3.82Å; I226-A230 WeakPolarHBondContact O-CB 3.22Å; I226-A230 PolarHBondContact O-N 3.43Å; A230-L233 CarbonylContact O-C 3.55Å; A230-L233 WeakPolarHBondContact O-CB 3.4Å; A230-L233 PolarHBondContact O-N 2.91Å; A230-L233 VanDerWaalsContact O-N 3.16Å; A230-G234 PolarHBondContact O-N 2.92Å; A230-I235 HydrophobicContact CB-CB 4.16Å; A230-I235 HydrophobicContact CB-CD1 4.5Å; A230-I235 WeakPolarHBondContact O-CB 3.32Å; A230-I235 PolarHBondContact O-N 2.95Å; A230-V237 HydrophobicContact CB-CG2 3.64Å; A230-I285 HydrophobicContact CB-CD1 4.48Å
231K98.1Very high98.3Very high133 Ų13348.6 Ų48.658%0.57825%0.249SC*.Hα-helixtrans-62.1-43.4175.3-73.4174.3-179.4-179.50112.6I227 K228 L229 L233 G234 V237I227-K231 HydrophobicContact CG2-CD 4.42Å; I227-K231 WeakPolarHBondContact O-CG 3.41Å; I227-K231 PolarHBondContact O-N 3.24Å; K228-K231 PolarHBondContact O-N 2.91Å; L229-K231 VanDerWaalsContact C-N 3.32Å; L229-K231 PolarHBondContact O-N 3.39Å; K231-L233 VanDerWaalsContact C-N 3.25Å; K231-L233 PolarHBondContact O-N 3.2Å; K231-G234 PolarHBondContact O-N 2.79Å; K231-V237 HydrophobicContact CG-CG2 4.26Å
232E97.6Very high98.3Very high113 Ų11348.2 Ų48.253%0.52825%0.247SC..Hα-helixtrans-62.4-33.2174.2-72.6-72.5128.900112.3K228 L229 G234 K300 W301K228-E232 PolarHBondContact O-N 2.9Å; K228-E232 VanDerWaalsContact O-N 3.15Å; L229-E232 PolarHBondContact O-N 3.16Å; E232-G234 PolarHBondContact O-N 3.09Å; E232-K300 IonicContact OE2-NZ 2.75Å; E232-K300 PolarHBondContact OE2-NZ 3.33Å; E232-W301 HydrophobicContact CG-CH2 3.9Å; E232-W301 HydrophobicContact CG-CZ2 3.69Å
233L98Very high98.3Very high53 Ų5349.6 Ų49.628%0.27726%0.257SS..THydrogen-bonded Turntrans-76.91.6175.4-68.3172.1000113.7L229 A230 K231 I235 R284 I285 A288L229-L233 VanDerWaalsContact O-CG 3.28Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 2.89Å; A230-L233 CarbonylContact O-C 3.55Å; A230-L233 WeakPolarHBondContact O-CB 3.4Å; A230-L233 PolarHBondContact O-N 2.91Å; A230-L233 VanDerWaalsContact O-N 3.16Å; K231-L233 VanDerWaalsContact C-N 3.25Å; K231-L233 PolarHBondContact O-N 3.2Å; L233-I235 VanDerWaalsContact C-N 3.3Å; L233-I235 HydrophobicContact CB-CD1 3.85Å; L233-I235 HydrophobicContact CB-CG1 4.09Å; L233-I235 HydrophobicContact CD1-CD1 4.12Å; L233-I235 PolarHBondContact O-N 3.03Å; L233-R284 HydrophobicContact CD1-CB 4.4Å; L233-R284 PolarHBondContact O-NH2 2.69Å; L233-I285 HydrophobicContact CD1-CG1 4.4Å; L233-A288 HydrophobicContact CD1-CB 3.94Å; L233-A288 HydrophobicContact CG-CB 4.49Å
234G98.2Very high98.2Very high70 Ų7053.7 Ų53.772%0.72227%0.272SS*.THydrogen-bonded Turntrans71.721.3-177.500000113.9A230 K231 E232A230-G234 PolarHBondContact O-N 2.92Å; K231-G234 PolarHBondContact O-N 2.79Å; E232-G234 PolarHBondContact O-N 3.09Å
235I98.6Very high98.2Very high10 Ų1056.5 Ų56.55%0.05128%0.284CS..  trans-90.5125.1178.2-57.5164.8000107.9L208 A230 L233 V237 V281 I285L208-I235 HydrophobicContact CB-CG2 3.93Å; A230-I235 HydrophobicContact CB-CB 4.16Å; A230-I235 HydrophobicContact CB-CD1 4.5Å; A230-I235 WeakPolarHBondContact O-CB 3.32Å; A230-I235 PolarHBondContact O-N 2.95Å; L233-I235 VanDerWaalsContact C-N 3.3Å; L233-I235 HydrophobicContact CB-CD1 3.85Å; L233-I235 HydrophobicContact CB-CG1 4.09Å; L233-I235 HydrophobicContact CD1-CD1 4.12Å; L233-I235 PolarHBondContact O-N 3.03Å; I235-V237 PolarHBondContact O-N 2.63Å; I235-V281 HydrophobicContact CD1-CG1 4.15Å; I235-V281 HydrophobicContact CG2-CG1 4.47Å; I235-I285 HydrophobicContact CD1-CD1 4.48Å; I235-I285 HydrophobicContact CD1-CG1 4.18Å
236E98.6Very high98.2Very high97 Ų9757.5 Ų57.545%0.45329%0.291SS..  trans-65.5133.9173.5-174-178.7172.500109.7V207 L208 R238V207-E236 HydrophobicContact CG1-CB 4.19Å; V207-E236 HydrophobicContact CG1-CG 4.14Å; V207-E236 HydrophobicContact CG2-CB 4.31Å; L208-E236 PolarHBondContact N-O 3.36Å; E236-R238 VanDerWaalsContact CD-NH2 3.32Å; E236-R238 IonicContact OE1-CZ 3.62Å; E236-R238 IonicContact OE1-NE 3.18Å; E236-R238 PolarHBondContact OE1-NE 3.24Å; E236-R238 IonicContact OE1-NH2 2.81Å; E236-R238 PolarHBondContact OE1-NH2 3.4Å; E236-R238 IonicContact OE2-NH2 3.98Å; E236-R238 PolarHBondContact OE2-NH2 3.2Å
237V98.7Very high98.2Very high27 Ų2757.5 Ų57.516%0.16429%0.291CS..EExtended strand (participates in β ladder)trans-120.9127.6179-1730000110.3L208 I227 A230 K231 I235L208-V237 HydrophobicContact CB-CG2 4.37Å; L208-V237 HydrophobicContact CD2-CG1 4.48Å; L208-V237 HydrophobicContact CD2-CG2 4.18Å; L208-V237 CarbonylContact O-C 3.49Å; L208-V237 VanDerWaalsContact O-CA 3.3Å; L208-V237 WeakPolarHBondContact O-CA 3.45Å; I227-V237 HydrophobicContact CB-CG1 4.48Å; I227-V237 HydrophobicContact CG1-CG1 4.05Å; I227-V237 HydrophobicContact CG2-CB 4.48Å; I227-V237 HydrophobicContact CG2-CG1 4.06Å; A230-V237 HydrophobicContact CB-CG2 3.64Å; K231-V237 HydrophobicContact CG-CG2 4.26Å; I235-V237 PolarHBondContact O-N 2.63Å
238R98.4Very high98.2Very high107 Ų10759.5 Ų59.540%0.40430%0.298SS..EExtended strand (participates in β ladder)trans-123.1119.1178.1-66.8-175.3-174.516312.4111.3V207 L208 F209 T210 E236V207-R238 HydrophobicContact CG1-CB 4.5Å; V207-R238 HydrophobicContact CG1-CG 3.99Å; L208-R238 PolarHBondContact O-N 2.82Å; F209-R238 WeakPolarHBondContact CA-O 3.36Å; F209-R238 HydrophobicContact CD1-CB 3.72Å; F209-R238 HydrophobicContact CE1-CB 3.94Å; F209-R238 HydrophobicContact CE1-CG 4.3Å; T210-R238 PolarHBondContact N-O 2.88Å; T210-R238 VanDerWaalsContact N-O 3.13Å; E236-R238 VanDerWaalsContact CD-NH2 3.32Å; E236-R238 IonicContact OE1-CZ 3.62Å; E236-R238 IonicContact OE1-NE 3.18Å; E236-R238 PolarHBondContact OE1-NE 3.24Å; E236-R238 IonicContact OE1-NH2 2.81Å; E236-R238 PolarHBondContact OE1-NH2 3.4Å; E236-R238 IonicContact OE2-NH2 3.98Å; E236-R238 PolarHBondContact OE2-NH2 3.2Å
239E98.2Very high98.2Very high104 Ų10461.7 Ų61.749%0.48631%0.312SS..EExtended strand (participates in β ladder)trans-86.7107167.6-59.9-175.9-10400108T210 R223T210-E239 HydrophobicContact CG2-CG 4.05Å; T210-E239 WeakPolarHBondContact O-CA 3.47Å; R223-E239 IonicContact CZ-OE2 3.22Å; R223-E239 VanDerWaalsContact CZ-OE2 3.24Å; R223-E239 IonicContact NH1-OE2 3.02Å; R223-E239 PolarHBondContact NH1-OE2 2.81Å; R223-E239 IonicContact NH2-OE2 2.88Å; R223-E239 PolarHBondContact NH2-OE2 3.37Å
240Q97.2Very high98.2Very high76 Ų7661.7 Ų61.736%0.35531%0.313SS..  trans-147.9158.9-175.375.5179.631.300111.9F209 T210 P211 P212 L242F209-Q240 HydrophobicContact CD1-CG 3.87Å; F209-Q240 VanDerWaalsContact CD1-NE2 3.31Å; T210-Q240 PolarHBondContact O-N 2.91Å; T210-Q240 VanDerWaalsContact O-N 3.09Å; P211-Q240 WeakPolarHBondContact CA-O 3.3Å; P212-Q240 WeakPolarHBondContact CD-O 3.24Å; Q240-L242 HydrophobicContact CG-CD2 3.58Å; Q240-L242 HydrophobicContact CG-CG 4.42Å; Q240-L242 PolarHBondContact O-N 3.15Å
241V98.1Very high98.2Very high74 Ų7464.8 Ų64.845%0.44833%0.329SS..  trans-66.7128.3173.3178.90000108.9Y191 P212Y191-V241 HydrophobicContact CD1-CG1 3.44Å; Y191-V241 VanDerWaalsContact CD1-CG1 3.44Å; Y191-V241 HydrophobicContact CD2-CG1 3.47Å; Y191-V241 VanDerWaalsContact CD2-CG1 3.47Å; Y191-V241 HydrophobicContact CE1-CG1 3.92Å; Y191-V241 HydrophobicContact CE2-CG1 3.96Å; Y191-V241 HydrophobicContact CG-CG1 3.2Å; P212-V241 HydrophobicContact CG-CG2 4.28Å
242L98.4Very high98.2Very high5 Ų559 Ų593%0.02631%0.305CS..  trans-114.9136.8-178-57.7176.9000110Y191 I192 E202 F209 P211 Q240Y191-L242 CarbonylContact C-O 3.5Å; Y191-L242 WeakPolarHBondContact CA-O 3.36Å; Y191-L242 WeakPolarHBondContact CB-O 3.32Å; I192-L242 HydrophobicContact CB-CB 4.07Å; I192-L242 HydrophobicContact CG1-CB 4.03Å; I192-L242 PolarHBondContact N-O 3.46Å; E202-L242 HydrophobicContact CG-CD1 3.96Å; F209-L242 HydrophobicContact CB-CD1 4.19Å; F209-L242 HydrophobicContact CB-CD2 4.04Å; P211-L242 HydrophobicContact CG-CD1 4.19Å; Q240-L242 HydrophobicContact CG-CD2 3.58Å; Q240-L242 HydrophobicContact CG-CG 4.42Å; Q240-L242 PolarHBondContact O-N 3.15Å
243S97.8Very high98.3Very high34 Ų3453.8 Ų53.824%0.23828%0.28CS..BIsolated β-bridgetrans-85.2162.3175.6650000111I192 E245 S246I192-S243 WeakPolarHBondContact CG1-O 3.43Å; S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 VanDerWaalsContact CB-CD 3.49Å; S243-E245 WeakPolarHBondContact CB-OE1 3.41Å; S243-E245 PolarHBondContact O-N 3.24Å; S243-E245 PolarHBondContact OG-OE1 2.78Å; S243-S246 PolarHBondContact O-N 3.23Å; S243-S246 PolarHBondContact O-OG 3.01Å
244R97.9Very high98.3Very high91 Ų9151.2 Ų51.234%0.34327%0.267SS..THydrogen-bonded Turntrans-58.5-44.5179.1175.2172.1179.1166.61.7111.9V144 I192 S246 L247 Y248 D269V144-R244 HydrophobicContact CG2-CG 4.14Å; I192-R244 HydrophobicContact CD1-CB 4.47Å; R244-S246 PolarHBondContact O-N 2.97Å; R244-L247 WeakPolarHBondContact O-CB 2.97Å; R244-L247 PolarHBondContact O-N 3.22Å; R244-Y248 HydrophobicContact CG-CE2 4.27Å; R244-Y248 PolarHBondContact NE-OH 3.27Å; R244-Y248 PolarHBondContact NH2-OH 2.86Å; R244-D269 IonicContact CZ-OD2 2.72Å; R244-D269 IonicContact NE-OD2 3.81Å; R244-D269 PolarHBondContact NE-OD2 3.24Å; R244-D269 IonicContact NH2-OD1 2.7Å; R244-D269 IonicContact NH2-OD2 3.53Å; R244-D269 PolarHBondContact NH2-OD2 3.45Å
245E97.8Very high98.3Very high106 Ų10647.9 Ų47.950%0.49523%0.233SC..THydrogen-bonded Turntrans-69.8-16.8-177.665.6-79.3179.500113.8S243 L247 Y248 L249S243-E245 VanDerWaalsContact C-N 3.28Å; S243-E245 VanDerWaalsContact CB-CD 3.49Å; S243-E245 WeakPolarHBondContact CB-OE1 3.41Å; S243-E245 PolarHBondContact O-N 3.24Å; S243-E245 PolarHBondContact OG-OE1 2.78Å; E245-L247 PolarHBondContact O-N 3.2Å; E245-Y248 HydrophobicContact CB-CD2 4.07Å; E245-Y248 HydrophobicContact CB-CE2 4.44Å; E245-Y248 PolarHBondContact O-N 3.44Å; E245-L249 WeakPolarHBondContact O-CG 3.39Å; E245-L249 PolarHBondContact O-N 2.98Å
246S98.2Very high98.2Very high21 Ų2147.4 Ų47.415%0.14723%0.23CC..Hα-helixtrans-61.9-35.117375.80000111.3E202 S243 R244 Y248 L249 A250E202-S246 VanDerWaalsContact CD-OG 3.31Å; E202-S246 WeakPolarHBondContact OE1-CB 3.28Å; E202-S246 PolarHBondContact OE1-OG 3.32Å; E202-S246 WeakPolarHBondContact OE2-CB 3.49Å; E202-S246 PolarHBondContact OE2-OG 3.41Å; S243-S246 PolarHBondContact O-N 3.23Å; S243-S246 PolarHBondContact O-OG 3.01Å; R244-S246 PolarHBondContact O-N 2.97Å; S246-Y248 VanDerWaalsContact C-N 3.26Å; S246-Y248 PolarHBondContact O-N 3.04Å; S246-L249 CarbonylContact O-C 3.52Å; S246-L249 PolarHBondContact O-N 3.36Å; S246-A250 WeakPolarHBondContact O-CB 3.34Å; S246-A250 PolarHBondContact O-N 2.95Å
247L98.5Very high98.1Very high0 Ų043.2 Ų43.20%021%0.213CC..Hα-helixtrans-60.9-34.2176.4-61.7-180000113V144 I184 I192 L200 R244 E245 L249 V253 V268V144-L247 HydrophobicContact CG2-CD1 4.48Å; I184-L247 HydrophobicContact CD1-CD1 3.84Å; I184-L247 HydrophobicContact CG2-CD1 4.31Å; I192-L247 HydrophobicContact CD1-CD1 3.55Å; I192-L247 HydrophobicContact CD1-CG 4.05Å; I192-L247 HydrophobicContact CG1-CD1 4.2Å; I192-L247 HydrophobicContact CG1-CG 4.25Å; L200-L247 HydrophobicContact CD2-CD1 4.14Å; L200-L247 HydrophobicContact CD2-CD2 3.56Å; L200-L247 HydrophobicContact CD2-CG 4.49Å; R244-L247 WeakPolarHBondContact O-CB 2.97Å; R244-L247 PolarHBondContact O-N 3.22Å; E245-L247 PolarHBondContact O-N 3.2Å; L247-L249 VanDerWaalsContact C-N 3.31Å; L247-V253 HydrophobicContact CD2-CG1 4.29Å; L247-V253 HydrophobicContact CD2-CG2 4.1Å; L247-V268 HydrophobicContact CB-CG1 4.48Å; L247-V268 HydrophobicContact CB-CG2 4.36Å; L247-V268 HydrophobicContact CD1-CG1 4.15Å
248Y98Very high97.9Very high54 Ų5442.9 Ų42.921%0.21221%0.211CC..Hα-helixtrans-76.8-22.8178.9-49.7-37000112.6R244 E245 S246 V268 D269 I271R244-Y248 HydrophobicContact CG-CE2 4.27Å; R244-Y248 PolarHBondContact NE-OH 3.27Å; R244-Y248 PolarHBondContact NH2-OH 2.86Å; E245-Y248 HydrophobicContact CB-CD2 4.07Å; E245-Y248 HydrophobicContact CB-CE2 4.44Å; E245-Y248 PolarHBondContact O-N 3.44Å; S246-Y248 VanDerWaalsContact C-N 3.26Å; S246-Y248 PolarHBondContact O-N 3.04Å; Y248-V268 HydrophobicContact CD1-CB 4.27Å; Y248-V268 HydrophobicContact CD1-CG1 4.43Å; Y248-V268 HydrophobicContact CE1-CB 4.11Å; Y248-V268 HydrophobicContact CE1-CG1 3.84Å; Y248-D269 HydrophobicContact CE1-CB 4.22Å; Y248-D269 PolarHBondContact OH-OD2 3.49Å; Y248-I271 HydrophobicContact CD1-CB 4.19Å; Y248-I271 HydrophobicContact CD1-CD1 3.89Å; Y248-I271 HydrophobicContact CD1-CG2 4.5Å; Y248-I271 HydrophobicContact CD2-CD1 4.08Å; Y248-I271 HydrophobicContact CE1-CD1 4.07Å; Y248-I271 HydrophobicContact CE2-CD1 4.27Å; Y248-I271 HydrophobicContact CG-CD1 3.9Å
249L98.2Very high97.5Very high117 Ų11738.8 Ų38.861%0.61320%0.2SC*.Hα-helixtrans-102.3-7.1-177-60.4176.3000112.6K204 E245 S246 L247K204-L249 WeakPolarHBondContact CD-O 3.25Å; K204-L249 PolarHBondContact NZ-O 3.15Å; E245-L249 WeakPolarHBondContact O-CG 3.39Å; E245-L249 PolarHBondContact O-N 2.98Å; S246-L249 CarbonylContact O-C 3.52Å; S246-L249 PolarHBondContact O-N 3.36Å; L247-L249 VanDerWaalsContact C-N 3.31Å
250A98.7Very high97.1Very high4 Ų434 Ų343%0.03318%0.178CC..  trans-65.6145.2178.100000111.3E202 S246 V253 G274E202-A250 HydrophobicContact CB-CB 3.92Å; S246-A250 WeakPolarHBondContact O-CB 3.34Å; S246-A250 PolarHBondContact O-N 2.95Å; A250-V253 HydrophobicContact CB-CG2 3.73Å; A250-G274 PolarHBondContact O-N 2.92Å
251D98.7Very high97Very high64 Ų6431 Ų3134%0.34216%0.164SC..SBendtrans-78.2-30.5175.9-50.9-36.3000110.2V203 K204 D205 G274V203-D251 PolarHBondContact O-N 3Å; K204-D251 WeakPolarHBondContact CA-OD2 3.41Å; K204-D251 IonicContact NZ-OD1 2.72Å; K204-D251 PolarHBondContact NZ-OD1 3.37Å; K204-D251 IonicContact NZ-OD2 2.94Å; D205-D251 PolarHBondContact N-OD2 3.32Å; D251-G274 WeakPolarHBondContact O-CA 3.31Å
252E98.6Very high96.9Very high13 Ų1327.4 Ų27.46%0.06114%0.142CC..EExtended strand (participates in β ladder)trans-147.1148.6174-42.9178.8-159.800110.1E202 V203 G279 P280 V281 T282E202-E252 CarbonylContact C-O 3.51Å; E202-E252 VanDerWaalsContact CA-O 3.3Å; E202-E252 WeakPolarHBondContact CA-O 3.37Å; V203-E252 HydrophobicContact CB-CB 3.89Å; V203-E252 HydrophobicContact CB-CG 4.12Å; V203-E252 HydrophobicContact CG2-CB 4.02Å; V203-E252 HydrophobicContact CG2-CG 4.44Å; V203-E252 PolarHBondContact N-O 3.43Å; V203-E252 PolarHBondContact O-N 3.07Å; E252-G279 VanDerWaalsContact CD-C 3.42Å; E252-G279 VanDerWaalsContact OE1-C 3.31Å; E252-G279 VanDerWaalsContact OE2-C 3.24Å; E252-G279 WeakPolarHBondContact OE2-CA 3.41Å; E252-P280 WeakPolarHBondContact OE1-CD 3.49Å; E252-P280 WeakPolarHBondContact OE1-CG 3.43Å; E252-P280 VanDerWaalsContact OE1-N 3.09Å; E252-V281 WeakPolarHBondContact OE1-CB 3.36Å; E252-V281 PolarHBondContact OE1-N 3.24Å; E252-V281 PolarHBondContact OE2-N 3Å; E252-T282 WeakPolarHBondContact OE2-CB 3.43Å; E252-T282 PolarHBondContact OE2-N 2.76Å; E252-T282 PolarHBondContact OE2-OG1 2.89Å
253V98.7Very high96.8Very high2 Ų227.4 Ų27.41%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-133.7141.2169.7175.40000107.8L200 F201 E202 L247 A250 V265 V273L200-V253 HydrophobicContact CD1-CG1 3.92Å; L200-V253 HydrophobicContact CG-CG1 4.32Å; F201-V253 WeakPolarHBondContact O-CA 3.43Å; E202-V253 HydrophobicContact CB-CG2 4.04Å; L247-V253 HydrophobicContact CD2-CG1 4.29Å; L247-V253 HydrophobicContact CD2-CG2 4.1Å; A250-V253 HydrophobicContact CB-CG2 3.73Å; V253-V265 HydrophobicContact CB-CB 4.02Å; V253-V265 HydrophobicContact CG1-CB 3.82Å; V253-V265 HydrophobicContact CG1-CG1 4.34Å; V253-V265 HydrophobicContact CG1-CG2 3.99Å; V253-V265 PolarHBondContact O-N 3.35Å; V253-V273 HydrophobicContact CB-CG1 3.94Å; V253-V273 HydrophobicContact CB-CG2 4.47Å; V253-V273 HydrophobicContact CG2-CG1 3.65Å; V253-V273 HydrophobicContact CG2-CG2 4.2Å
254F98.5Very high96.8Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-146.5152.2171.166.7-92.3000112.1F201 L208 I226 I262 T263 T282 I285F201-F254 HydrophobicContact CB-CD1 3.94Å; F201-F254 HydrophobicContact CB-CD2 4Å; F201-F254 HydrophobicContact CB-CE1 3.51Å; F201-F254 HydrophobicContact CB-CE2 3.54Å; F201-F254 HydrophobicContact CB-CG 4.19Å; F201-F254 HydrophobicContact CB-CZ 3.29Å; F201-F254 HydrophobicContact CD1-CE2 4.4Å; F201-F254 AromaticContact CD1-CZ 3.99Å; F201-F254 HydrophobicContact CD1-CZ 3.99Å; F201-F254 HydrophobicContact CD2-CD2 4.08Å; F201-F254 AromaticContact CD2-CE2 3.33Å; F201-F254 HydrophobicContact CD2-CE2 3.33Å; F201-F254 AromaticContact CD2-CZ 3.76Å; F201-F254 HydrophobicContact CD2-CZ 3.76Å; F201-F254 HydrophobicContact CE2-CE2 4.07Å; F201-F254 HydrophobicContact CG-CD2 4.35Å; F201-F254 HydrophobicContact CG-CE1 4.16Å; F201-F254 AromaticContact CG-CE2 3.52Å; F201-F254 HydrophobicContact CG-CE2 3.52Å; F201-F254 AromaticContact CG-CZ 3.43Å; F201-F254 HydrophobicContact CG-CZ 3.43Å; F201-F254 VanDerWaalsContact CG-CZ 3.43Å; F201-F254 PolarHBondContact N-O 2.88Å; F201-F254 PolarHBondContact O-N 2.77Å; L208-F254 HydrophobicContact CD1-CE1 3.6Å; L208-F254 HydrophobicContact CD1-CZ 3.81Å; I226-F254 HydrophobicContact CD1-CE2 4Å; I226-F254 HydrophobicContact CG2-CE2 4.31Å; I226-F254 HydrophobicContact CG2-CZ 4.12Å; F254-I262 HydrophobicContact CD2-CG2 3.64Å; F254-I262 HydrophobicContact CE2-CG2 3.98Å; F254-I262 HydrophobicContact CG-CG2 4.19Å; F254-T263 CarbonylContact C-O 3.53Å; F254-T263 VanDerWaalsContact CA-O 3.3Å; F254-T263 WeakPolarHBondContact CA-O 3.36Å; F254-T263 WeakPolarHBondContact CB-O 3.36Å; F254-T282 HydrophobicContact CB-CG2 3.84Å; F254-T282 HydrophobicContact CD1-CG2 3.79Å; F254-T282 VanDerWaalsContact CD1-OG1 3.28Å; F254-T282 WeakPolarHBondContact CD1-OG1 3.29Å; F254-T282 HydrophobicContact CG-CG2 3.89Å; F254-I285 HydrophobicContact CE1-CD1 4.29Å; F254-I285 HydrophobicContact CZ-CD1 4.15Å
255M98.1Very high96.8Very high0 Ų021.6 Ų21.60%012%0.116CC..EExtended strand (participates in β ladder)trans-98.4147.5172.9-71.1-176.5179.800110.1I140 A142 E182 I184 E198 N199 L200 I262 T263 V265I140-M255 HydrophobicContact CD1-CE 4.43Å; I140-M255 HydrophobicContact CD1-SD 3.96Å; A142-M255 HydrophobicContact CB-CE 4Å; E182-M255 HydrophobicContact CB-CE 4.1Å; E182-M255 HydrophobicContact CB-SD 4.02Å; E182-M255 HydrophobicContact CG-CE 3.94Å; E182-M255 HydrophobicContact CG-SD 3.7Å; I184-M255 HydrophobicContact CD1-CE 4.1Å; I184-M255 HydrophobicContact CG1-CE 3.48Å; I184-M255 VanDerWaalsContact CG1-CE 3.48Å; E198-M255 HydrophobicContact CB-CB 3.8Å; E198-M255 HydrophobicContact CB-CG 4.28Å; E198-M255 HydrophobicContact CB-SD 4.39Å; E198-M255 HydrophobicContact CG-CB 4.04Å; E198-M255 HydrophobicContact CG-SD 4.38Å; N199-M255 CarbonylContact O-C 3.45Å; N199-M255 WeakPolarHBondContact O-CA 3.33Å; L200-M255 HydrophobicContact CD1-CE 4.21Å; L200-M255 HydrophobicContact CD1-CG 3.66Å; M255-I262 WeakPolarHBondContact O-CA 3.28Å; M255-T263 PolarHBondContact N-O 3.38Å; M255-T263 PolarHBondContact O-N 3.44Å; M255-V265 HydrophobicContact CE-CG2 4.35Å; M255-V265 HydrophobicContact CG-CG2 3.98Å
256S97.6Very high96.8Very high0 Ų019.8 Ų19.80%011%0.105CC..EExtended strand (participates in β ladder)trans-135138.9179.568.40000113E198 N199 F201 I226 E261E198-S256 CarbonylContact C-O 3.51Å; E198-S256 WeakPolarHBondContact CA-O 3.28Å; E198-S256 WeakPolarHBondContact CB-O 3.38Å; N199-S256 PolarHBondContact N-O 2.98Å; N199-S256 PolarHBondContact O-N 3.04Å; N199-S256 PolarHBondContact O-OG 3.26Å; F201-S256 WeakPolarHBondContact CE2-OG 3.47Å; I226-S256 VanDerWaalsContact CD1-CB 3.42Å; S256-E261 WeakPolarHBondContact CA-O 3.26Å
257G96Very high96.8Very high9 Ų919.4 Ų19.49%0.09310%0.102CC..EExtended strand (participates in β ladder)trans-177.8174.7177.700000110.9T222 A259 E261T222-G257 PolarHBondContact OG1-O 2.88Å; G257-A259 VanDerWaalsContact C-N 3.29Å; G257-A259 PolarHBondContact O-N 2.8Å; G257-E261 PolarHBondContact N-O 3.42Å; G257-E261 VanDerWaalsContact N-O 3.1Å; G257-E261 WeakPolarHBondContact O-CA 3.46Å; G257-E261 PolarHBondContact O-N 2.89Å
258T93.9Very high96.8Very high20 Ų2019.4 Ų19.412%0.12310%0.102CC..THydrogen-bonded Turntrans-69-31.2179.5-510000112.7G39 R41 Y96G39-T258 VanDerWaalsContact O-CB 3.29Å; G39-T258 WeakPolarHBondContact O-CB 3.36Å; G39-T258 WeakPolarHBondContact O-CG2 3.46Å; G39-T258 PolarHBondContact O-OG1 3.37Å; G39-T258 VanDerWaalsContact O-OG1 3.07Å; R41-T258 HydrophobicContact CB-CG2 4.22Å; R41-T258 HydrophobicContact CG-CG2 3.58Å; R41-T258 VanDerWaalsContact CG-O 3.25Å; R41-T258 WeakPolarHBondContact CG-O 3.48Å; Y96-T258 HydrophobicContact CE2-CG2 4.37Å
259A89.9Confident96.8Very high21 Ų2118.7 Ų18.717%0.17410%0.101CC..THydrogen-bonded Turntrans-89.6-44.6178.300000112.1Y96 Y130 G257 E261Y96-A259 HydrophobicContact CE2-CB 4.08Å; Y130-A259 WeakPolarHBondContact CB-O 3.36Å; Y130-A259 HydrophobicContact CD1-CB 4.18Å; Y130-A259 HydrophobicContact CD2-CB 4.31Å; Y130-A259 HydrophobicContact CG-CB 3.88Å; G257-A259 VanDerWaalsContact C-N 3.29Å; G257-A259 PolarHBondContact O-N 2.8Å; A259-E261 VanDerWaalsContact C-N 3.27Å; A259-E261 PolarHBondContact O-N 2.95Å
260A90.5Very high96.8Very high3 Ų315.8 Ų15.83%0.02510%0.1CC..THydrogen-bonded Turntrans-77.8-10.2178.200000113.6Y130 L131 E198 I262 T263Y130-A260 HydrophobicContact CD1-CB 4.35Å; L131-A260 HydrophobicContact CD1-CB 4.24Å; E198-A260 HydrophobicContact CG-CB 3.45Å; E198-A260 VanDerWaalsContact CG-CB 3.45Å; A260-I262 PolarHBondContact O-N 3.09Å; A260-T263 PolarHBondContact O-N 3.15Å; A260-T263 PolarHBondContact O-OG1 2.99Å
261E94Very high96.8Very high12 Ų1219.3 Ų19.36%0.05612%0.118CC..EExtended strand (participates in β ladder)trans51.3-108.6-176.7-65.2170.6165.800110.9R41 Y43 L136 S256 G257 A259 F290R41-E261 IonicContact CZ-OE1 3.1Å; R41-E261 IonicContact NE-OE1 3.14Å; R41-E261 PolarHBondContact NE-OE1 3.14Å; R41-E261 IonicContact NH2-OE1 3.28Å; R41-E261 PolarHBondContact NH2-OE1 2.85Å; Y43-E261 WeakPolarHBondContact CE1-OE1 3.18Å; Y43-E261 PolarHBondContact OH-OE1 2.84Å; L136-E261 HydrophobicContact CD2-CB 4.42Å; S256-E261 WeakPolarHBondContact CA-O 3.26Å; G257-E261 PolarHBondContact N-O 3.42Å; G257-E261 VanDerWaalsContact N-O 3.1Å; G257-E261 WeakPolarHBondContact O-CA 3.46Å; G257-E261 PolarHBondContact O-N 2.89Å; A259-E261 VanDerWaalsContact C-N 3.27Å; A259-E261 PolarHBondContact O-N 2.95Å; E261-F290 HydrophobicContact CB-CE1 4.27Å; E261-F290 HydrophobicContact CB-CZ 3.92Å; E261-F290 HydrophobicContact CG-CE1 4.43Å; E261-F290 WeakPolarHBondContact OE2-CE1 3.49Å
262I96.6Very high96.8Very high0 Ų022.1 Ų22.10%013%0.129CC..EExtended strand (participates in β ladder)trans-130.291.6171.5-53.5-174.9000107L136 I226 F254 M255 A260 T282 I285 Q286 F289L136-I262 WeakPolarHBondContact CD2-O 3.3Å; I226-I262 HydrophobicContact CD1-CD1 3.74Å; I226-I262 HydrophobicContact CD1-CG1 3.79Å; I226-I262 HydrophobicContact CG1-CD1 3.72Å; I226-I262 HydrophobicContact CG1-CG1 4.31Å; F254-I262 HydrophobicContact CD2-CG2 3.64Å; F254-I262 HydrophobicContact CE2-CG2 3.98Å; F254-I262 HydrophobicContact CG-CG2 4.19Å; M255-I262 WeakPolarHBondContact O-CA 3.28Å; A260-I262 PolarHBondContact O-N 3.09Å; I262-T282 HydrophobicContact CG2-CG2 4.18Å; I262-I285 HydrophobicContact CD1-CG2 3.74Å; I262-Q286 HydrophobicContact CB-CG 3.91Å; I262-Q286 HydrophobicContact CG2-CG 3.76Å; I262-Q286 PolarHBondContact O-NE2 3.08Å; I262-F289 HydrophobicContact CD1-CB 3.65Å; I262-F289 HydrophobicContact CD1-CD1 4.19Å; I262-F289 HydrophobicContact CD1-CD2 4.32Å; I262-F289 HydrophobicContact CD1-CG 3.79Å; I262-F289 HydrophobicContact CG1-CD1 4.44Å; I262-F289 HydrophobicContact CG1-CG 4.46Å
263T96.9Very high96.8Very high4 Ų421.7 Ų21.73%0.02513%0.127CC..EExtended strand (participates in β ladder)trans-102.9117.3-174.4-67.30000110.5L131 A135 I140 F254 M255 A260L131-T263 HydrophobicContact CD1-CG2 3.74Å; A135-T263 HydrophobicContact CB-CG2 4.21Å; I140-T263 HydrophobicContact CG1-CG2 4.2Å; I140-T263 HydrophobicContact CG2-CG2 3.71Å; F254-T263 CarbonylContact C-O 3.53Å; F254-T263 VanDerWaalsContact CA-O 3.3Å; F254-T263 WeakPolarHBondContact CA-O 3.36Å; F254-T263 WeakPolarHBondContact CB-O 3.36Å; M255-T263 PolarHBondContact N-O 3.38Å; M255-T263 PolarHBondContact O-N 3.44Å; A260-T263 PolarHBondContact O-N 3.15Å; A260-T263 PolarHBondContact O-OG1 2.99Å
264P98Very high96.7Very high2 Ų223.2 Ų23.21%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-61.6150.6174.9-19.231000112.4G139 I140 C278 T282G139-P264 CarbonylContact C-O 3.57Å; G139-P264 WeakPolarHBondContact CA-O 3.45Å; I140-P264 PolarHBondContact N-O 3.15Å; P264-C278 HydrophobicContact CB-CB 4.01Å; P264-C278 HydrophobicContact CG-CB 3.59Å; P264-C278 VanDerWaalsContact CG-SG 3.54Å; P264-T282 HydrophobicContact CG-CG2 4.16Å
265V98.3Very high96.6Very high2 Ų229.5 Ų29.51%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-114.2117.2172.8178.50000107.7I140 A142 V253 M255 S267 V268I140-V265 HydrophobicContact CD1-CG2 4.48Å; I140-V265 HydrophobicContact CG1-CG2 4.07Å; I140-V265 CarbonylContact O-C 3.51Å; I140-V265 WeakPolarHBondContact O-CA 3.44Å; A142-V265 HydrophobicContact CB-CG1 3.81Å; V253-V265 HydrophobicContact CB-CB 4.02Å; V253-V265 HydrophobicContact CG1-CB 3.82Å; V253-V265 HydrophobicContact CG1-CG1 4.34Å; V253-V265 HydrophobicContact CG1-CG2 3.99Å; V253-V265 PolarHBondContact O-N 3.35Å; M255-V265 HydrophobicContact CE-CG2 4.35Å; M255-V265 HydrophobicContact CG-CG2 3.98Å; V265-S267 VanDerWaalsContact CG1-O 3.23Å; V265-S267 WeakPolarHBondContact CG1-O 3.37Å; V265-V268 HydrophobicContact CG1-CG2 3.74Å
266R97.6Very high96.4Very high68 Ų6830.5 Ų30.526%0.25718%0.183SC..EExtended strand (participates in β ladder)trans-90.4-24.5-17766.7-178.3177.1-147.30.5113.2G139 I140 D141 V273 G276G139-R266 PolarHBondContact O-NH1 2.95Å; I140-R266 WeakPolarHBondContact O-CG 3.46Å; I140-R266 PolarHBondContact O-N 3.49Å; D141-R266 VanDerWaalsContact CG-NE 3.33Å; D141-R266 VanDerWaalsContact OD1-CG 3.24Å; D141-R266 WeakPolarHBondContact OD1-CG 3.42Å; D141-R266 IonicContact OD1-CZ 3.34Å; D141-R266 IonicContact OD1-NE 3.12Å; D141-R266 PolarHBondContact OD1-NE 3.46Å; D141-R266 IonicContact OD2-CZ 2.91Å; D141-R266 IonicContact OD2-NE 2.69Å; D141-R266 PolarHBondContact OD2-NE 3.03Å; D141-R266 VanDerWaalsContact OD2-NE 3.12Å; D141-R266 IonicContact OD2-NH2 2.72Å; D141-R266 PolarHBondContact OD2-NH2 3.28Å; R266-V273 PolarHBondContact O-N 3.24Å; R266-G276 WeakPolarHBondContact CB-O 3.49Å
267S98.4Very high96.3Very high13 Ų1337.9 Ų37.99%0.09121%0.211CC..EExtended strand (participates in β ladder)trans-146.9148.7172.975.70000111.7D141 A142 V265 I271D141-S267 WeakPolarHBondContact CB-OG 3.34Å; D141-S267 PolarHBondContact OD1-OG 2.85Å; A142-S267 PolarHBondContact N-O 2.82Å; V265-S267 VanDerWaalsContact CG1-O 3.23Å; V265-S267 WeakPolarHBondContact CG1-O 3.37Å; S267-I271 CarbonylContact C-O 3.53Å; S267-I271 WeakPolarHBondContact CA-O 3.23Å; S267-I271 WeakPolarHBondContact CB-O 3.42Å
268V98.7Very high96.2Very high0 Ų038.6 Ų38.60%021%0.214CC..EExtended strand (participates in β ladder)trans-124.8124.3170.4-176.80000108.3A142 V144 I184 L247 Y248 V265 G270 I271 V273A142-V268 CarbonylContact O-C 3.54Å; A142-V268 VanDerWaalsContact O-CA 3.27Å; A142-V268 WeakPolarHBondContact O-CA 3.45Å; V144-V268 HydrophobicContact CG2-CG1 3.95Å; I184-V268 HydrophobicContact CD1-CG1 4.19Å; I184-V268 HydrophobicContact CD1-CG2 4.14Å; L247-V268 HydrophobicContact CB-CG1 4.48Å; L247-V268 HydrophobicContact CB-CG2 4.36Å; L247-V268 HydrophobicContact CD1-CG1 4.15Å; Y248-V268 HydrophobicContact CD1-CB 4.27Å; Y248-V268 HydrophobicContact CD1-CG1 4.43Å; Y248-V268 HydrophobicContact CE1-CB 4.11Å; Y248-V268 HydrophobicContact CE1-CG1 3.84Å; V265-V268 HydrophobicContact CG1-CG2 3.74Å; V268-G270 PolarHBondContact O-N 2.83Å; V268-I271 PolarHBondContact N-O 3.07Å; V268-I271 WeakPolarHBondContact O-CB 3.41Å; V268-I271 PolarHBondContact O-N 3.48Å; V268-V273 HydrophobicContact CB-CG2 4.45Å; V268-V273 HydrophobicContact CG2-CG2 3.82Å
269D98.2Very high96.4Very high38 Ų3838.2 Ų38.220%0.20321%0.214CC..THydrogen-bonded Turntrans5630.4-176.6-59.2-42.2000113.4A142 M143 V144 R244 Y248 I271A142-D269 PolarHBondContact O-N 2.92Å; M143-D269 WeakPolarHBondContact CA-OD1 3.49Å; M143-D269 WeakPolarHBondContact CB-OD1 3.3Å; V144-D269 WeakPolarHBondContact CG2-OD2 3.42Å; V144-D269 PolarHBondContact N-OD1 3.07Å; R244-D269 IonicContact CZ-OD2 2.72Å; R244-D269 IonicContact NE-OD2 3.81Å; R244-D269 PolarHBondContact NE-OD2 3.24Å; R244-D269 IonicContact NH2-OD1 2.7Å; R244-D269 IonicContact NH2-OD2 3.53Å; R244-D269 PolarHBondContact NH2-OD2 3.45Å; Y248-D269 HydrophobicContact CE1-CB 4.22Å; Y248-D269 PolarHBondContact OH-OD2 3.49Å; D269-I271 PolarHBondContact O-N 3.34Å
270G97.6Very high96.7Very high56 Ų5641.7 Ų41.758%0.57724%0.235SC*.THydrogen-bonded Turntrans74.72.5-175.400000114.5V268V268-G270 PolarHBondContact O-N 2.83Å
271I98.4Very high97.1Very high79 Ų7942.3 Ų42.341%0.40524%0.238SC..EExtended strand (participates in β ladder)trans-88.3125.7170.4-56.6176.1000107.8Y248 S267 V268 D269 V273Y248-I271 HydrophobicContact CD1-CB 4.19Å; Y248-I271 HydrophobicContact CD1-CD1 3.89Å; Y248-I271 HydrophobicContact CD1-CG2 4.5Å; Y248-I271 HydrophobicContact CD2-CD1 4.08Å; Y248-I271 HydrophobicContact CE1-CD1 4.07Å; Y248-I271 HydrophobicContact CE2-CD1 4.27Å; Y248-I271 HydrophobicContact CG-CD1 3.9Å; S267-I271 CarbonylContact C-O 3.53Å; S267-I271 WeakPolarHBondContact CA-O 3.23Å; S267-I271 WeakPolarHBondContact CB-O 3.42Å; V268-I271 PolarHBondContact N-O 3.07Å; V268-I271 WeakPolarHBondContact O-CB 3.41Å; V268-I271 PolarHBondContact O-N 3.48Å; D269-I271 PolarHBondContact O-N 3.34Å; I271-V273 PolarHBondContact O-N 3.49Å
272Q98.4Very high97.3Very high123 Ų12341.8 Ų41.858%0.57524%0.236SC*.EExtended strand (participates in β ladder)trans-62.3130.6177.7-174-179.5-70.100110.6G274Q272-G274 PolarHBondContact NE2-O 3.22Å
273V98.5Very high97.3Very high3 Ų347.2 Ų47.22%0.01826%0.26CS..PPolyproline II helixtrans-88.3126170.9174.50000108.3V253 R266 V268 I271 E275 G276V253-V273 HydrophobicContact CB-CG1 3.94Å; V253-V273 HydrophobicContact CB-CG2 4.47Å; V253-V273 HydrophobicContact CG2-CG1 3.65Å; V253-V273 HydrophobicContact CG2-CG2 4.2Å; R266-V273 PolarHBondContact O-N 3.24Å; V268-V273 HydrophobicContact CB-CG2 4.45Å; V268-V273 HydrophobicContact CG2-CG2 3.82Å; I271-V273 PolarHBondContact O-N 3.49Å; V273-E275 PolarHBondContact O-N 2.8Å; V273-G276 WeakPolarHBondContact O-CA 3.48Å; V273-G276 PolarHBondContact O-N 2.85Å
274G97Very high97.3Very high35 Ų3552.2 Ų52.236%0.36128%0.278SS..THydrogen-bonded Turntrans46.6-122.5-179.600000113.2A250 D251 Q272 G276A250-G274 PolarHBondContact O-N 2.92Å; D251-G274 WeakPolarHBondContact O-CA 3.31Å; Q272-G274 PolarHBondContact NE2-O 3.22Å; G274-G276 VanDerWaalsContact C-N 3.33Å; G274-G276 PolarHBondContact O-N 3.04Å
275E95.5Very high97.3Very high131 Ų13152.1 Ų52.161%0.61228%0.277SS*.THydrogen-bonded Turntrans-85.25.2178.2-62.2-170.8170.800114.7V273 R277V273-E275 PolarHBondContact O-N 2.8Å; E275-R277 HydrophobicContact CB-CG 4.09Å; E275-R277 IonicContact OE2-CZ 3.99Å; E275-R277 VanDerWaalsContact OE2-CZ 3.25Å; E275-R277 IonicContact OE2-NE 3.25Å; E275-R277 PolarHBondContact OE2-NE 2.89Å; E275-R277 IonicContact OE2-NH2 3.02Å; E275-R277 PolarHBondContact OE2-NH2 3.06Å
276G95.6Very high97.3Very high22 Ų2253 Ų5323%0.22728%0.281CS..SBendtrans71.727.6-179.200000114.1R266 V273 G274R266-G276 WeakPolarHBondContact CB-O 3.49Å; V273-G276 WeakPolarHBondContact O-CA 3.48Å; V273-G276 PolarHBondContact O-N 2.85Å; G274-G276 VanDerWaalsContact C-N 3.33Å; G274-G276 PolarHBondContact O-N 3.04Å
277R93.8Very high97.3Very high155 Ų15555.2 Ų55.259%0.58529%0.294SS*.SBendtrans-158.1174.5-178.961.7-177.2-176.6145.1-0.5110.9E275 G279E275-R277 HydrophobicContact CB-CG 4.09Å; E275-R277 IonicContact OE2-CZ 3.99Å; E275-R277 VanDerWaalsContact OE2-CZ 3.25Å; E275-R277 IonicContact OE2-NE 3.25Å; E275-R277 PolarHBondContact OE2-NE 2.89Å; E275-R277 IonicContact OE2-NH2 3.02Å; E275-R277 PolarHBondContact OE2-NH2 3.06Å; R277-G279 PolarHBondContact O-N 3.41Å
278C95.4Very high97.3Very high24 Ų2455 Ų5516%0.16229%0.294CS..  trans-56.1119.6171.8-170.80000111.2P264 Q286P264-C278 HydrophobicContact CB-CB 4.01Å; P264-C278 HydrophobicContact CG-CB 3.59Å; P264-C278 VanDerWaalsContact CG-SG 3.54Å; C278-Q286 PolarHBondContact SG-OE1 3.43Å
279G96.3Very high97.3Very high11 Ų1155 Ų5511%0.11329%0.294CS..  trans-85.7170.317900000113.8E252 R277 V281 K283E252-G279 VanDerWaalsContact CD-C 3.42Å; E252-G279 VanDerWaalsContact OE1-C 3.31Å; E252-G279 VanDerWaalsContact OE2-C 3.24Å; E252-G279 WeakPolarHBondContact OE2-CA 3.41Å; R277-G279 PolarHBondContact O-N 3.41Å; G279-V281 PolarHBondContact O-N 3.29Å; G279-K283 VanDerWaalsContact O-CB 3.29Å; G279-K283 WeakPolarHBondContact O-CB 3.47Å; G279-K283 PolarHBondContact O-N 3.1Å
280P97.2Very high97.2Very high95 Ų9555.8 Ų55.862%0.61730%0.295SS*.Hα-helixtrans-62.5-36.7-174.224.4-35.5000114.5E252 R284E252-P280 WeakPolarHBondContact OE1-CD 3.49Å; E252-P280 WeakPolarHBondContact OE1-CG 3.43Å; E252-P280 VanDerWaalsContact OE1-N 3.09Å; P280-R284 VanDerWaalsContact O-CG 3.26Å; P280-R284 WeakPolarHBondContact O-CG 3.28Å; P280-R284 PolarHBondContact O-N 3.24Å
281V98.3Very high97.2Very high15 Ų1553.2 Ų53.29%0.09127%0.269CS..Hα-helixtrans-69.5-49.4179.5168.90000110.2V203 I235 E252 G279 K283 R284 I285V203-V281 HydrophobicContact CG1-CB 4.04Å; V203-V281 HydrophobicContact CG1-CG1 4.18Å; V203-V281 HydrophobicContact CG1-CG2 3.91Å; V203-V281 HydrophobicContact CG2-CB 3.94Å; V203-V281 HydrophobicContact CG2-CG1 3.59Å; I235-V281 HydrophobicContact CD1-CG1 4.15Å; I235-V281 HydrophobicContact CG2-CG1 4.47Å; E252-V281 WeakPolarHBondContact OE1-CB 3.36Å; E252-V281 PolarHBondContact OE1-N 3.24Å; E252-V281 PolarHBondContact OE2-N 3Å; G279-V281 PolarHBondContact O-N 3.29Å; V281-K283 VanDerWaalsContact C-N 3.28Å; V281-K283 PolarHBondContact O-N 3.13Å; V281-R284 PolarHBondContact O-N 3.46Å; V281-I285 HydrophobicContact CG1-CD1 3.93Å; V281-I285 WeakPolarHBondContact O-CG1 3.49Å; V281-I285 PolarHBondContact O-N 3.42Å
282T98Very high97.2Very high1 Ų149.4 Ų49.41%0.00625%0.249CC..Hα-helixtrans-56.4-45.3175.8-55.50000110.4E252 F254 I262 P264 R284 I285 Q286E252-T282 WeakPolarHBondContact OE2-CB 3.43Å; E252-T282 PolarHBondContact OE2-N 2.76Å; E252-T282 PolarHBondContact OE2-OG1 2.89Å; F254-T282 HydrophobicContact CB-CG2 3.84Å; F254-T282 HydrophobicContact CD1-CG2 3.79Å; F254-T282 VanDerWaalsContact CD1-OG1 3.28Å; F254-T282 WeakPolarHBondContact CD1-OG1 3.29Å; F254-T282 HydrophobicContact CG-CG2 3.89Å; I262-T282 HydrophobicContact CG2-CG2 4.18Å; P264-T282 HydrophobicContact CG-CG2 4.16Å; T282-R284 PolarHBondContact O-N 2.82Å; T282-I285 PolarHBondContact O-N 2.68Å; T282-Q286 WeakPolarHBondContact O-CG 3.34Å; T282-Q286 PolarHBondContact O-N 3.05Å
283K96.9Very high97.1Very high115 Ų11544.1 Ų44.150%0.522%0.224SC..Hα-helixtrans-62.3-41.8178.1-172169-173.8169.20112.9G279 V281 I285 Q286 Q287G279-K283 VanDerWaalsContact O-CB 3.29Å; G279-K283 WeakPolarHBondContact O-CB 3.47Å; G279-K283 PolarHBondContact O-N 3.1Å; V281-K283 VanDerWaalsContact C-N 3.28Å; V281-K283 PolarHBondContact O-N 3.13Å; K283-I285 VanDerWaalsContact C-N 3.32Å; K283-I285 PolarHBondContact O-N 2.87Å; K283-Q286 WeakPolarHBondContact O-CB 3.49Å; K283-Q286 PolarHBondContact O-N 2.76Å; K283-Q287 WeakPolarHBondContact O-CB 3.45Å; K283-Q287 VanDerWaalsContact O-CG 3.3Å; K283-Q287 WeakPolarHBondContact O-CG 3.17Å; K283-Q287 PolarHBondContact O-N 2.67Å
284R98Very high97.1Very high109 Ų10948 Ų4841%0.41125%0.248SC..Hα-helixtrans-62.6-40.5175.3-75173.867.5-158.5-3.3111.7L233 P280 V281 T282 Q287 A288L233-R284 HydrophobicContact CD1-CB 4.4Å; L233-R284 PolarHBondContact O-NH2 2.69Å; P280-R284 VanDerWaalsContact O-CG 3.26Å; P280-R284 WeakPolarHBondContact O-CG 3.28Å; P280-R284 PolarHBondContact O-N 3.24Å; V281-R284 PolarHBondContact O-N 3.46Å; T282-R284 PolarHBondContact O-N 2.82Å; R284-Q287 PolarHBondContact O-N 3.32Å; R284-A288 PolarHBondContact O-N 3.33Å
285I98.4Very high97.1Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-67.5-43.4176.6-63.4168.1000110.4L208 I226 A230 L233 I235 F254 I262 V281 T282 K283 Q287 A288 F289L208-I285 HydrophobicContact CD1-CD1 4.32Å; L208-I285 HydrophobicContact CD2-CD1 3.87Å; I226-I285 HydrophobicContact CB-CG2 4.4Å; I226-I285 HydrophobicContact CG1-CG2 4.12Å; I226-I285 HydrophobicContact CG2-CD1 4.44Å; I226-I285 HydrophobicContact CG2-CG2 3.83Å; A230-I285 HydrophobicContact CB-CD1 4.48Å; L233-I285 HydrophobicContact CD1-CG1 4.4Å; I235-I285 HydrophobicContact CD1-CD1 4.48Å; I235-I285 HydrophobicContact CD1-CG1 4.18Å; F254-I285 HydrophobicContact CE1-CD1 4.29Å; F254-I285 HydrophobicContact CZ-CD1 4.15Å; I262-I285 HydrophobicContact CD1-CG2 3.74Å; V281-I285 HydrophobicContact CG1-CD1 3.93Å; V281-I285 WeakPolarHBondContact O-CG1 3.49Å; V281-I285 PolarHBondContact O-N 3.42Å; T282-I285 PolarHBondContact O-N 2.68Å; K283-I285 VanDerWaalsContact C-N 3.32Å; K283-I285 PolarHBondContact O-N 2.87Å; I285-Q287 VanDerWaalsContact C-N 3.35Å; I285-Q287 PolarHBondContact O-N 3.19Å; I285-A288 PolarHBondContact O-N 3.14Å; I285-F289 WeakPolarHBondContact O-CB 3.33Å; I285-F289 PolarHBondContact O-N 3.33Å
286Q96.8Very high97.2Very high21 Ų2149.6 Ų49.610%0.09826%0.256CS..Hα-helixtrans-56-49173.7-78.2-179.7-33.800111.1L136 I262 C278 T282 K283 A288 F289 F290L136-Q286 PolarHBondContact O-NE2 2.88Å; I262-Q286 HydrophobicContact CB-CG 3.91Å; I262-Q286 HydrophobicContact CG2-CG 3.76Å; I262-Q286 PolarHBondContact O-NE2 3.08Å; C278-Q286 PolarHBondContact SG-OE1 3.43Å; T282-Q286 WeakPolarHBondContact O-CG 3.34Å; T282-Q286 PolarHBondContact O-N 3.05Å; K283-Q286 WeakPolarHBondContact O-CB 3.49Å; K283-Q286 PolarHBondContact O-N 2.76Å; Q286-A288 PolarHBondContact O-N 3.2Å; Q286-F289 PolarHBondContact O-N 3.32Å; Q286-F290 HydrophobicContact CB-CD2 4.19Å; Q286-F290 HydrophobicContact CB-CE2 4.26Å; Q286-F290 HydrophobicContact CG-CE2 4.3Å; Q286-F290 WeakPolarHBondContact O-CD2 3.49Å; Q286-F290 PolarHBondContact O-N 3.46Å
287Q97.5Very high97.3Very high113 Ų11350.1 Ų50.153%0.52826%0.255SS..Hα-helixtrans-59.1-45.9178.4-74.6172.5-23.700111.9K283 R284 I285 G291K283-Q287 WeakPolarHBondContact O-CB 3.45Å; K283-Q287 VanDerWaalsContact O-CG 3.3Å; K283-Q287 WeakPolarHBondContact O-CG 3.17Å; K283-Q287 PolarHBondContact O-N 2.67Å; R284-Q287 PolarHBondContact O-N 3.32Å; I285-Q287 VanDerWaalsContact C-N 3.35Å; I285-Q287 PolarHBondContact O-N 3.19Å; Q287-G291 VanDerWaalsContact O-CA 3.31Å; Q287-G291 WeakPolarHBondContact O-CA 3.25Å; Q287-G291 PolarHBondContact O-N 3.35Å
288A98.4Very high97.5Very high9 Ų949.3 Ų49.37%0.07426%0.258CS..Hα-helixtrans-65.5-39.417700000112.4L229 L233 R284 I285 Q286 T297L229-A288 HydrophobicContact CB-CB 4.49Å; L229-A288 HydrophobicContact CD2-CB 4.26Å; L233-A288 HydrophobicContact CD1-CB 3.94Å; L233-A288 HydrophobicContact CG-CB 4.49Å; R284-A288 PolarHBondContact O-N 3.33Å; I285-A288 PolarHBondContact O-N 3.14Å; Q286-A288 PolarHBondContact O-N 3.2Å; A288-T297 WeakPolarHBondContact CA-OG1 3.5Å; A288-T297 WeakPolarHBondContact O-CB 3.32Å; A288-T297 WeakPolarHBondContact O-CG2 3.41Å; A288-T297 PolarHBondContact O-OG1 3.48Å; A288-T297 VanDerWaalsContact O-OG1 3.11Å
289F98.2Very high97.6Very high1 Ų149.7 Ų49.70%0.00426%0.258CS..Hα-helixtrans-68.1-53.5179.5178.8-95.8000112.1F52 T222 L229 I262 I285 Q286 G291 L292 F293F52-F289 AromaticContact CE1-CE2 3.76Å; F52-F289 HydrophobicContact CE1-CE2 3.76Å; F52-F289 HydrophobicContact CE1-CZ 4.16Å; F52-F289 HydrophobicContact CE2-CE2 4.3Å; F52-F289 HydrophobicContact CZ-CD2 4.44Å; F52-F289 AromaticContact CZ-CE2 3.61Å; F52-F289 HydrophobicContact CZ-CE2 3.61Å; F52-F289 HydrophobicContact CZ-CZ 4.34Å; T222-F289 HydrophobicContact CG2-CE2 4.05Å; T222-F289 HydrophobicContact CG2-CZ 4.22Å; L229-F289 HydrophobicContact CD1-CB 3.96Å; L229-F289 HydrophobicContact CD1-CD2 4.14Å; I262-F289 HydrophobicContact CD1-CB 3.65Å; I262-F289 HydrophobicContact CD1-CD1 4.19Å; I262-F289 HydrophobicContact CD1-CD2 4.32Å; I262-F289 HydrophobicContact CD1-CG 3.79Å; I262-F289 HydrophobicContact CG1-CD1 4.44Å; I262-F289 HydrophobicContact CG1-CG 4.46Å; I285-F289 WeakPolarHBondContact O-CB 3.33Å; I285-F289 PolarHBondContact O-N 3.33Å; Q286-F289 PolarHBondContact O-N 3.32Å; F289-G291 VanDerWaalsContact C-N 3.28Å; F289-G291 PolarHBondContact O-N 2.89Å; F289-L292 VanDerWaalsContact O-CB 3.32Å; F289-L292 WeakPolarHBondContact O-CB 3.4Å; F289-L292 WeakPolarHBondContact O-CD1 3.28Å; F289-L292 WeakPolarHBondContact O-CG 3.37Å; F289-L292 PolarHBondContact O-N 3.49Å; F289-F293 HydrophobicContact CD1-CE2 4.23Å; F289-F293 AromaticContact CE1-CE2 3.84Å; F289-F293 HydrophobicContact CE1-CE2 3.84Å; F289-F293 HydrophobicContact CE1-CZ 4.33Å; F289-F293 HydrophobicContact CZ-CE2 4.18Å; F289-F293 HydrophobicContact CZ-CZ 4.22Å
290F96.7Very high97.6Very high53 Ų5354.9 Ų54.923%0.23228%0.278CS..Hα-helixtrans-71.9-26.4-179.7-66.1-63.2000112.3L136 E261 Q286 L292 F293 T294L136-F290 HydrophobicContact CD1-CZ 4.28Å; L136-F290 HydrophobicContact CD2-CZ 4.45Å; E261-F290 HydrophobicContact CB-CE1 4.27Å; E261-F290 HydrophobicContact CB-CZ 3.92Å; E261-F290 HydrophobicContact CG-CE1 4.43Å; E261-F290 WeakPolarHBondContact OE2-CE1 3.49Å; Q286-F290 HydrophobicContact CB-CD2 4.19Å; Q286-F290 HydrophobicContact CB-CE2 4.26Å; Q286-F290 HydrophobicContact CG-CE2 4.3Å; Q286-F290 WeakPolarHBondContact O-CD2 3.49Å; Q286-F290 PolarHBondContact O-N 3.46Å; F290-L292 PolarHBondContact O-N 2.92Å; F290-F293 HydrophobicContact CD1-CD2 4.39Å; F290-F293 HydrophobicContact CD1-CE2 4.4Å; F290-F293 PolarHBondContact O-N 2.74Å; F290-T294 PolarHBondContact O-N 3.3Å
291G98.1Very high97.6Very high2 Ų254.4 Ų54.42%0.02126%0.264CS..Hα-helixtrans-58.1-24.7172.300000113.7Q287 F289 F293 T294 G295 E296 T297Q287-G291 VanDerWaalsContact O-CA 3.31Å; Q287-G291 WeakPolarHBondContact O-CA 3.25Å; Q287-G291 PolarHBondContact O-N 3.35Å; F289-G291 VanDerWaalsContact C-N 3.28Å; F289-G291 PolarHBondContact O-N 2.89Å; G291-F293 PolarHBondContact O-N 3.4Å; G291-T294 WeakPolarHBondContact CA-OG1 3.43Å; G291-T294 PolarHBondContact O-N 2.82Å; G291-T294 PolarHBondContact O-OG1 2.85Å; G291-G295 CarbonylContact O-C 3.44Å; G291-G295 WeakPolarHBondContact O-CA 3.39Å; G291-G295 PolarHBondContact O-N 2.61Å; G291-E296 PolarHBondContact O-N 3.31Å; G291-T297 PolarHBondContact O-N 2.92Å
292L98.2Very high97.5Very high0 Ų056.6 Ų56.60%029%0.29CS..Hα-helixtrans-59.5-36.2173.6-67.4167.8000111.4H46 F52 L229 F289 F290 T297 D299 W303 L304H46-L292 PolarHBondContact CE1-O 2.91Å; F52-L292 HydrophobicContact CE2-CD1 3.92Å; L229-L292 HydrophobicContact CD1-CD1 4.42Å; F289-L292 VanDerWaalsContact O-CB 3.32Å; F289-L292 WeakPolarHBondContact O-CB 3.4Å; F289-L292 WeakPolarHBondContact O-CD1 3.28Å; F289-L292 WeakPolarHBondContact O-CG 3.37Å; F289-L292 PolarHBondContact O-N 3.49Å; F290-L292 PolarHBondContact O-N 2.92Å; L292-T297 HydrophobicContact CD2-CG2 3.83Å; L292-T297 HydrophobicContact CG-CG2 4.26Å; L292-D299 HydrophobicContact CD2-CB 4.15Å; L292-W303 HydrophobicContact CD1-CE3 3.86Å; L292-W303 HydrophobicContact CD1-CZ3 4.07Å; L292-L304 VanDerWaalsContact O-CD1 3.3Å; L292-L304 WeakPolarHBondContact O-CD1 3.36Å
293F97.3Very high97.5Very high12 Ų1257 Ų575%0.05329%0.291CS..Hα-helixtrans-87.2-28.7-175.8-46-62000111.8Y43 S45 H46 V50 F52 F289 F290 G291 L304Y43-F293 HydrophobicContact CD1-CD2 4.03Å; Y43-F293 HydrophobicContact CD1-CE2 4.18Å; Y43-F293 HydrophobicContact CD1-CG 4.22Å; Y43-F293 HydrophobicContact CD1-CZ 4.49Å; Y43-F293 AromaticContact CD2-CD1 3.65Å; Y43-F293 HydrophobicContact CD2-CD1 3.65Å; Y43-F293 HydrophobicContact CD2-CD2 4.29Å; Y43-F293 AromaticContact CD2-CE1 3.27Å; Y43-F293 HydrophobicContact CD2-CE1 3.27Å; Y43-F293 AromaticContact CD2-CE2 3.98Å; Y43-F293 HydrophobicContact CD2-CE2 3.98Å; Y43-F293 HydrophobicContact CD2-CG 4.15Å; Y43-F293 AromaticContact CD2-CZ 3.47Å; Y43-F293 HydrophobicContact CD2-CZ 3.47Å; Y43-F293 VanDerWaalsContact CD2-CZ 3.47Å; Y43-F293 HydrophobicContact CE1-CD2 4.25Å; Y43-F293 HydrophobicContact CE1-CE2 4.01Å; Y43-F293 HydrophobicContact CE1-CZ 4.38Å; Y43-F293 HydrophobicContact CE2-CD1 4.34Å; Y43-F293 HydrophobicContact CE2-CD2 4.47Å; Y43-F293 AromaticContact CE2-CE1 3.62Å; Y43-F293 HydrophobicContact CE2-CE1 3.62Å; Y43-F293 AromaticContact CE2-CE2 3.77Å; Y43-F293 HydrophobicContact CE2-CE2 3.77Å; Y43-F293 AromaticContact CE2-CZ 3.29Å; Y43-F293 HydrophobicContact CE2-CZ 3.29Å; Y43-F293 AromaticContact CG-CD1 3.72Å; Y43-F293 HydrophobicContact CG-CD1 3.72Å; Y43-F293 HydrophobicContact CG-CD2 4.04Å; Y43-F293 AromaticContact CG-CE1 3.84Å; Y43-F293 HydrophobicContact CG-CE1 3.84Å; Y43-F293 HydrophobicContact CG-CE2 4.16Å; Y43-F293 AromaticContact CG-CG 3.84Å; Y43-F293 HydrophobicContact CG-CG 3.84Å; Y43-F293 HydrophobicContact CG-CZ 4.07Å; Y43-F293 AromaticContact CZ-CE2 3.78Å; Y43-F293 AromaticContact CZ-CZ 3.79Å; S45-F293 CarbonylContact C-O 3.59Å; S45-F293 VanDerWaalsContact CA-O 3.24Å; S45-F293 WeakPolarHBondContact CA-O 3.37Å; S45-F293 WeakPolarHBondContact CB-O 3.45Å; H46-F293 PolarHBondContact N-O 2.82Å; H46-F293 PolarHBondContact ND1-O 2.8Å; V50-F293 HydrophobicContact CG2-CD1 4.26Å; F52-F293 HydrophobicContact CB-CE1 4.03Å; F52-F293 HydrophobicContact CB-CZ 4.22Å; F52-F293 AromaticContact CD2-CE1 3.76Å; F52-F293 HydrophobicContact CD2-CE1 3.76Å; F52-F293 AromaticContact CD2-CZ 3.74Å; F52-F293 HydrophobicContact CD2-CZ 3.74Å; F52-F293 HydrophobicContact CE2-CZ 4.3Å; F52-F293 HydrophobicContact CG-CE1 4.15Å; F52-F293 HydrophobicContact CG-CZ 4.01Å; F289-F293 HydrophobicContact CD1-CE2 4.23Å; F289-F293 AromaticContact CE1-CE2 3.84Å; F289-F293 HydrophobicContact CE1-CE2 3.84Å; F289-F293 HydrophobicContact CE1-CZ 4.33Å; F289-F293 HydrophobicContact CZ-CE2 4.18Å; F289-F293 HydrophobicContact CZ-CZ 4.22Å; F290-F293 HydrophobicContact CD1-CD2 4.39Å; F290-F293 HydrophobicContact CD1-CE2 4.4Å; F290-F293 PolarHBondContact O-N 2.74Å; G291-F293 PolarHBondContact O-N 3.4Å; F293-L304 HydrophobicContact CD1-CD2 3.85Å; F293-L304 HydrophobicContact CE1-CD2 3.61Å
294T97.2Very high97.6Very high83 Ų8352.5 Ų52.551%0.50927%0.272SS..Hα-helixtrans-83.6-17.4174.463.60000113.4F290 G291 E296F290-T294 PolarHBondContact O-N 3.3Å; G291-T294 WeakPolarHBondContact CA-OG1 3.43Å; G291-T294 PolarHBondContact O-N 2.82Å; G291-T294 PolarHBondContact O-OG1 2.85Å; T294-E296 WeakPolarHBondContact OG1-CG 3.46Å; T294-E296 PolarHBondContact OG1-N 3.1Å
295G97.1Very high97.6Very high38 Ų3849.2 Ų49.239%0.39226%0.263SS..THydrogen-bonded Turntrans88.70.2-175.600000113.7H46 G291 T297H46-G295 PolarHBondContact ND1-N 2.95Å; G291-G295 CarbonylContact O-C 3.44Å; G291-G295 WeakPolarHBondContact O-CA 3.39Å; G291-G295 PolarHBondContact O-N 2.61Å; G295-T297 VanDerWaalsContact C-N 3.26Å; G295-T297 PolarHBondContact O-N 3.39Å
296E97.8Very high97.5Very high163 Ų16353.1 Ų53.176%0.76228%0.281SS*.SBendtrans-68-27.9173.2-69.3177.117600112.4G291 T294G291-E296 PolarHBondContact O-N 3.31Å; T294-E296 WeakPolarHBondContact OG1-CG 3.46Å; T294-E296 PolarHBondContact OG1-N 3.1Å
297T98.1Very high97.4Very high32 Ų3252.3 Ų52.320%0.19628%0.278CS..SBendtrans-110.6123171.6-580000109.3L229 A288 G291 L292 G295 D299L229-T297 HydrophobicContact CD2-CG2 4.27Å; A288-T297 WeakPolarHBondContact CA-OG1 3.5Å; A288-T297 WeakPolarHBondContact O-CB 3.32Å; A288-T297 WeakPolarHBondContact O-CG2 3.41Å; A288-T297 PolarHBondContact O-OG1 3.48Å; A288-T297 VanDerWaalsContact O-OG1 3.11Å; G291-T297 PolarHBondContact O-N 2.92Å; L292-T297 HydrophobicContact CD2-CG2 3.83Å; L292-T297 HydrophobicContact CG-CG2 4.26Å; G295-T297 VanDerWaalsContact C-N 3.26Å; G295-T297 PolarHBondContact O-N 3.39Å; T297-D299 PolarHBondContact O-N 3.37Å
298E97Very high96.7Very high138 Ų13852.5 Ų52.565%0.64528%0.282SS*.  trans-65.7126175.5-175.2-176-163.800110.6K300E298-K300 VanDerWaalsContact C-N 3.34Å; E298-K300 HydrophobicContact CB-CG 4.32Å; E298-K300 HydrophobicContact CG-CG 3.96Å; E298-K300 PolarHBondContact O-N 2.96Å; E298-K300 WeakPolarHBondContact OE2-CE 3.21Å
299D97.4Very high94.9Very high32 Ų3261.6 Ų61.617%0.17132%0.323CS..  trans-78.283.4170.1177.121.7000110.6L292 T297 W301 G302 W303 L304L292-D299 HydrophobicContact CD2-CB 4.15Å; T297-D299 PolarHBondContact O-N 3.37Å; D299-W301 PolarHBondContact O-N 3.13Å; D299-W301 PolarHBondContact OD1-N 3.4Å; D299-G302 PolarHBondContact OD1-N 3.25Å; D299-G302 WeakPolarHBondContact OD2-CA 3.46Å; D299-W303 VanDerWaalsContact CG-N 3.3Å; D299-W303 PolarHBondContact OD1-N 3.41Å; D299-W303 PolarHBondContact OD2-N 2.72Å; D299-L304 HydrophobicContact CB-CD1 4.07Å; D299-L304 HydrophobicContact CB-CG 4.17Å; D299-L304 WeakPolarHBondContact OD2-CG 3.47Å; D299-L304 PolarHBondContact OD2-N 2.82Å
300K96.8Very high94.7Very high120 Ų12064.6 Ų64.652%0.52234%0.339SS..THydrogen-bonded Turntrans-72.4-8.1178.4-59.1179.2-172.1174.10113.6E232 E298E232-K300 IonicContact OE2-NZ 2.75Å; E232-K300 PolarHBondContact OE2-NZ 3.33Å; E298-K300 VanDerWaalsContact C-N 3.34Å; E298-K300 HydrophobicContact CB-CG 4.32Å; E298-K300 HydrophobicContact CG-CG 3.96Å; E298-K300 PolarHBondContact O-N 2.96Å; E298-K300 WeakPolarHBondContact OE2-CE 3.21Å
301W97.3Very high94.6Very high85 Ų8565.2 Ų65.232%0.32235%0.345SS..THydrogen-bonded Turntrans-111.7-7.3-169.7-55.7-81000113.6L229 E232 D299 W303L229-W301 HydrophobicContact CD2-CH2 3.88Å; L229-W301 HydrophobicContact CD2-CZ3 3.9Å; E232-W301 HydrophobicContact CG-CH2 3.9Å; E232-W301 HydrophobicContact CG-CZ2 3.69Å; D299-W301 PolarHBondContact O-N 3.13Å; D299-W301 PolarHBondContact OD1-N 3.4Å; W301-W303 HydrophobicContact CB-CD2 3.91Å; W301-W303 VanDerWaalsContact CB-CE2 3.5Å; W301-W303 HydrophobicContact CB-CG 3.99Å; W301-W303 HydrophobicContact CB-CZ2 3.98Å; W301-W303 VanDerWaalsContact CB-NE1 3.32Å; W301-W303 HydrophobicContact CD2-CD2 4.43Å; W301-W303 HydrophobicContact CD2-CE3 4.47Å; W301-W303 AromaticContact CD2-CH2 3.79Å; W301-W303 HydrophobicContact CD2-CH2 3.79Å; W301-W303 AromaticContact CD2-CZ2 3.71Å; W301-W303 HydrophobicContact CD2-CZ2 3.71Å; W301-W303 HydrophobicContact CD2-CZ3 4.19Å; W301-W303 HydrophobicContact CE3-CD2 4.15Å; W301-W303 AromaticContact CE3-CE3 3.83Å; W301-W303 HydrophobicContact CE3-CE3 3.83Å; W301-W303 AromaticContact CE3-CH2 3.68Å; W301-W303 HydrophobicContact CE3-CH2 3.68Å; W301-W303 AromaticContact CE3-CZ2 3.99Å; W301-W303 HydrophobicContact CE3-CZ2 3.99Å; W301-W303 AromaticContact CE3-CZ3 3.61Å; W301-W303 HydrophobicContact CE3-CZ3 3.61Å; W301-W303 HydrophobicContact CG-CD2 4.38Å; W301-W303 AromaticContact CG-CE2 3.77Å; W301-W303 HydrophobicContact CG-CH2 4.3Å; W301-W303 AromaticContact CG-CZ2 3.71Å; W301-W303 HydrophobicContact CG-CZ2 3.71Å; W301-W303 HydrophobicContact CZ3-CE3 4.43Å; W301-W303 HydrophobicContact CZ3-CH2 4.07Å; W301-W303 AromaticContact CZ3-CZ3 3.89Å; W301-W303 HydrophobicContact CZ3-CZ3 3.89Å
302G97.2Very high94.4Very high62 Ų6268.7 Ų68.764%0.63936%0.363SS*.  trans68.437-175.600000112.3D299 L304D299-G302 PolarHBondContact OD1-N 3.25Å; D299-G302 WeakPolarHBondContact OD2-CA 3.46Å; G302-L304 VanDerWaalsContact C-N 3.32Å
303W98.3Very high94.2Very high9 Ų972.8 Ų72.83%0.03438%0.384CS..  trans-75.1-18.6177.3-69.9-16.1000113.9F52 R53 A225 K228 L229 L292 D299 W301F52-W303 HydrophobicContact CD2-CB 4.25Å; F52-W303 HydrophobicContact CE2-CB 4.01Å; F52-W303 HydrophobicContact CE2-CD2 4.26Å; F52-W303 AromaticContact CE2-CE3 3.8Å; F52-W303 HydrophobicContact CE2-CE3 3.8Å; F52-W303 HydrophobicContact CE2-CG 4.4Å; F52-W303 HydrophobicContact CZ-CE3 4.13Å; R53-W303 HydrophobicContact CG-CB 3.75Å; R53-W303 HydrophobicContact CG-CD2 4.13Å; R53-W303 HydrophobicContact CG-CG 3.61Å; R53-W303 PolarHBondContact N-O 3.32Å; A225-W303 HydrophobicContact CB-CE3 4.41Å; A225-W303 HydrophobicContact CB-CH2 3.86Å; A225-W303 HydrophobicContact CB-CZ2 4.42Å; A225-W303 HydrophobicContact CB-CZ3 3.84Å; K228-W303 HydrophobicContact CB-CH2 3.94Å; K228-W303 HydrophobicContact CB-CZ2 4.26Å; K228-W303 HydrophobicContact CD-CH2 4.07Å; K228-W303 HydrophobicContact CD-CZ2 3.52Å; L229-W303 HydrophobicContact CD1-CZ3 4.46Å; L229-W303 HydrophobicContact CD2-CZ3 4.4Å; L229-W303 HydrophobicContact CG-CZ3 4.23Å; L292-W303 HydrophobicContact CD1-CE3 3.86Å; L292-W303 HydrophobicContact CD1-CZ3 4.07Å; D299-W303 VanDerWaalsContact CG-N 3.3Å; D299-W303 PolarHBondContact OD1-N 3.41Å; D299-W303 PolarHBondContact OD2-N 2.72Å; W301-W303 HydrophobicContact CB-CD2 3.91Å; W301-W303 VanDerWaalsContact CB-CE2 3.5Å; W301-W303 HydrophobicContact CB-CG 3.99Å; W301-W303 HydrophobicContact CB-CZ2 3.98Å; W301-W303 VanDerWaalsContact CB-NE1 3.32Å; W301-W303 HydrophobicContact CD2-CD2 4.43Å; W301-W303 HydrophobicContact CD2-CE3 4.47Å; W301-W303 AromaticContact CD2-CH2 3.79Å; W301-W303 HydrophobicContact CD2-CH2 3.79Å; W301-W303 AromaticContact CD2-CZ2 3.71Å; W301-W303 HydrophobicContact CD2-CZ2 3.71Å; W301-W303 HydrophobicContact CD2-CZ3 4.19Å; W301-W303 HydrophobicContact CE3-CD2 4.15Å; W301-W303 AromaticContact CE3-CE3 3.83Å; W301-W303 HydrophobicContact CE3-CE3 3.83Å; W301-W303 AromaticContact CE3-CH2 3.68Å; W301-W303 HydrophobicContact CE3-CH2 3.68Å; W301-W303 AromaticContact CE3-CZ2 3.99Å; W301-W303 HydrophobicContact CE3-CZ2 3.99Å; W301-W303 AromaticContact CE3-CZ3 3.61Å; W301-W303 HydrophobicContact CE3-CZ3 3.61Å; W301-W303 HydrophobicContact CG-CD2 4.38Å; W301-W303 AromaticContact CG-CE2 3.77Å; W301-W303 HydrophobicContact CG-CH2 4.3Å; W301-W303 AromaticContact CG-CZ2 3.71Å; W301-W303 HydrophobicContact CG-CZ2 3.71Å; W301-W303 HydrophobicContact CZ3-CE3 4.43Å; W301-W303 HydrophobicContact CZ3-CH2 4.07Å; W301-W303 AromaticContact CZ3-CZ3 3.89Å; W301-W303 HydrophobicContact CZ3-CZ3 3.89Å
304L98.1Very high94Very high20 Ų2076.6 Ų76.611%0.10541%0.405CS..EExtended strand (participates in β ladder)trans-96.299.9-175.6-55.2-177.7000111.5V50 F52 L292 F293 D299 G302V50-L304 HydrophobicContact CB-CB 4.22Å; V50-L304 HydrophobicContact CG1-CB 4.29Å; V50-L304 HydrophobicContact CG2-CB 4.44Å; V50-L304 HydrophobicContact CG2-CD2 4.1Å; F52-L304 HydrophobicContact CD2-CD2 4.08Å; L292-L304 VanDerWaalsContact O-CD1 3.3Å; L292-L304 WeakPolarHBondContact O-CD1 3.36Å; F293-L304 HydrophobicContact CD1-CD2 3.85Å; F293-L304 HydrophobicContact CE1-CD2 3.61Å; D299-L304 HydrophobicContact CB-CD1 4.07Å; D299-L304 HydrophobicContact CB-CG 4.17Å; D299-L304 WeakPolarHBondContact OD2-CG 3.47Å; D299-L304 PolarHBondContact OD2-N 2.82Å; G302-L304 VanDerWaalsContact C-N 3.32Å
305D97.8Very high93.8Very high40 Ų4076.1 Ų76.121%0.21440%0.398CS..EExtended strand (participates in β ladder)trans-85.2113.5174.3-178.238.7000110.9V50 V51 H54 R84V50-D305 CarbonylContact C-O 3.55Å; V50-D305 VanDerWaalsContact CA-O 3.25Å; V50-D305 WeakPolarHBondContact CA-O 3.24Å; V51-D305 HydrophobicContact CB-CB 4.41Å; V51-D305 PolarHBondContact N-O 2.65Å; V51-D305 PolarHBondContact O-N 3.12Å; V51-D305 VanDerWaalsContact O-N 3.09Å; H54-D305 HydrophobicContact CB-CB 3.76Å; H54-D305 IonicContact CE1-OD2 3.29Å; H54-D305 IonicContact CG-OD2 2.78Å; H54-D305 IonicContact ND1-OD2 2.87Å; H54-D305 PolarHBondContact ND1-OD2 2.93Å; R84-D305 IonicContact CZ-OD2 3.07Å; R84-D305 IonicContact NH1-OD1 3.22Å; R84-D305 IonicContact NH1-OD2 2.68Å; R84-D305 PolarHBondContact NH1-OD2 3.43Å
306Q97.3Very high93.5Very high83 Ų8378.9 Ų78.939%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-72.3135.5-179.7-68-179.3-65.500111.3K47 V50 N308K47-Q306 PolarHBondContact O-NE2 2.59Å; V50-Q306 HydrophobicContact CG1-CG 3.98Å; Q306-N308 PolarHBondContact O-N 2.77Å
307V94.3Very high93.2Very high4 Ų472.4 Ų72.42%0.02437%0.37CS..  trans-73.4-15.6-178.8175.80000112.9P49 V51 R84 I87 R88P49-V307 HydrophobicContact CB-CB 4.21Å; P49-V307 HydrophobicContact CB-CG2 4.1Å; P49-V307 WeakPolarHBondContact O-CG2 3.46Å; P49-V307 PolarHBondContact O-N 3.36Å; V51-V307 HydrophobicContact CG2-CG2 3.87Å; R84-V307 HydrophobicContact CB-CG1 4.2Å; R84-V307 HydrophobicContact CG-CG1 4.39Å; R84-V307 HydrophobicContact CG-CG2 4.44Å; I87-V307 HydrophobicContact CB-CG1 4.1Å; I87-V307 HydrophobicContact CD1-CG2 3.9Å; I87-V307 HydrophobicContact CG2-CG1 3.83Å; I87-V307 HydrophobicContact CG2-CG2 4.26Å; R88-V307 HydrophobicContact CG-CG1 3.84Å; R88-V307 PolarHBondContact NE-O 2.71Å
308N81.4Confident92.8Very high116 Ų11675.8 Ų75.862%0.6239%0.385SS*.  trans4393.3-176.7-66.5-22.2000112.3R88 Q306R88-N308 WeakPolarHBondContact CD-O 3.45Å; R88-N308 PolarHBondContact NE-O 3.46Å; Q306-N308 PolarHBondContact O-N 2.77Å
309Q61Low92.4Very high200 Ų20070.1 Ų70.194%0.93536%0.361SS*.  trans-66.10178.8-69.3-173.41.900112.6

Retrieved 309 of 309 residues in 465.3 ms (Link to these results)

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