A0A077YY37_TRITR Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YY37, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 389 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
1M73.4Confident74.8Confident53 Ų5360.9 Ų60.926%0.26133%0.325SS..  0134.50-178.2-171.8-174.100108.1L3 V16 L57 L62 V63 E64M1-L3 HydrophobicContact CE-CD2 3.7Å; M1-L3 HydrophobicContact CE-CG 4.37Å; M1-L3 HydrophobicContact SD-CD2 4.48Å; M1-V16 WeakPolarHBondContact CB-O 3.41Å; M1-V16 PolarHBondContact N-O 3.26Å; M1-V16 PolarHBondContact O-N 3.05Å; M1-V16 VanDerWaalsContact O-O 3.11Å; M1-L57 HydrophobicContact SD-CD1 3.78Å; M1-L62 VanDerWaalsContact CE-C 3.45Å; M1-L62 HydrophobicContact CE-CB 4Å; M1-L62 WeakPolarHBondContact CE-O 3.32Å; M1-V63 VanDerWaalsContact CE-O 3.24Å; M1-V63 WeakPolarHBondContact CE-O 3.45Å; M1-E64 HydrophobicContact CG-CB 4.49Å
2I76.3Confident74.7Confident36 Ų3661 Ų6119%0.18532%0.322CS..EExtended strand (participates in β ladder)trans-97.2128173.9-57.9172.5000109.2Q13 E64 K65I2-Q13 HydrophobicContact CG2-CB 4.23Å; I2-E64 HydrophobicContact CB-CG 4.25Å; I2-E64 PolarHBondContact N-OE1 3.35Å; I2-K65 PolarHBondContact O-N 3.44Å
3L75.9Confident75Confident0 Ų065.7 Ų65.70%034%0.341CS..EExtended strand (participates in β ladder)trans-114.4152168.7-69.6176.9000110.1M1 V14 V16 L25 L57 D66 L68M1-L3 HydrophobicContact CE-CD2 3.7Å; M1-L3 HydrophobicContact CE-CG 4.37Å; M1-L3 HydrophobicContact SD-CD2 4.48Å; L3-V14 PolarHBondContact N-O 3.35Å; L3-V14 PolarHBondContact O-N 3Å; L3-V16 HydrophobicContact CD1-CG2 3.9Å; L3-V16 HydrophobicContact CG-CG2 4.18Å; L3-L25 HydrophobicContact CD1-CD1 4.29Å; L3-L25 HydrophobicContact CD1-CD2 3.65Å; L3-L57 HydrophobicContact CD1-CD1 3.92Å; L3-L57 HydrophobicContact CD1-CD2 4.4Å; L3-D66 HydrophobicContact CD2-CB 3.93Å; L3-L68 HydrophobicContact CD1-CD1 3.97Å
4L75.6Confident75.4Confident39 Ų3961.4 Ų61.420%0.20432%0.32CS..EExtended strand (participates in β ladder)trans-100.7125.6171.7-56.5179.6000108.3Q13 D66 C67 L68L4-Q13 HydrophobicContact CD2-CB 4.42Å; L4-Q13 HydrophobicContact CD2-CG 3.71Å; L4-D66 PolarHBondContact N-O 3.05Å; L4-C67 HydrophobicContact CB-CB 4.3Å; L4-C67 CarbonylContact O-C 3.54Å; L4-C67 WeakPolarHBondContact O-CA 3.09Å; L4-L68 PolarHBondContact O-N 3.35Å
5V79.9Confident75.9Confident0 Ų066.9 Ų66.90%034%0.342CS..EExtended strand (participates in β ladder)trans-115.3134.7174.7-171.60000109.5C11 E12 V14 F33 L42 L68 L70V5-C11 WeakPolarHBondContact O-CA 3.11Å; V5-E12 PolarHBondContact N-O 2.96Å; V5-E12 PolarHBondContact O-N 2.74Å; V5-V14 HydrophobicContact CB-CG2 4.14Å; V5-V14 HydrophobicContact CG2-CB 4.43Å; V5-V14 HydrophobicContact CG2-CG2 3.56Å; V5-F33 HydrophobicContact CB-CE2 4.03Å; V5-F33 HydrophobicContact CG1-CE2 3.75Å; V5-F33 WeakPolarHBondContact O-CZ 3.3Å; V5-L42 HydrophobicContact CG1-CD2 4.07Å; V5-L68 CarbonylContact C-O 3.55Å; V5-L68 WeakPolarHBondContact CA-O 3.48Å; V5-L68 HydrophobicContact CG2-CB 4.49Å; V5-L70 HydrophobicContact CG1-CB 4.4Å
6K76.7Confident76.3Confident74 Ų7463.7 Ų63.732%0.32233%0.327SS..EExtended strand (participates in β ladder)trans-121.1133.6-178.4-74.3-179.9-174.81630112.5R10 C11 C67 L68 H69 L70K6-R10 CarbonylContact C-O 3.6Å; K6-R10 WeakPolarHBondContact CA-O 3.34Å; K6-C11 HydrophobicContact CD-CB 4.27Å; K6-C11 WeakPolarHBondContact CE-SG 3.28Å; K6-C11 HydrophobicContact CG-CB 3.68Å; K6-C11 VanDerWaalsContact CG-SG 3.56Å; K6-C67 VanDerWaalsContact CD-SG 3.53Å; K6-C67 VanDerWaalsContact CE-SG 3.5Å; K6-L68 PolarHBondContact N-O 2.91Å; K6-H69 WeakPolarHBondContact O-CA 3.48Å; K6-L70 PolarHBondContact O-N 3.39Å
7F78.8Confident76.6Confident21 Ų2168.3 Ų68.39%0.09235%0.347CS..EExtended strand (participates in β ladder)trans-143.1130.5176.5-179.4-112.2000110.5G9 R10 F33 V35 L40 L70F7-G9 PolarHBondContact O-N 3.03Å; F7-R10 PolarHBondContact N-O 2.94Å; F7-R10 PolarHBondContact O-N 2.96Å; F7-F33 HydrophobicContact CB-CB 4.45Å; F7-F33 HydrophobicContact CB-CD1 3.73Å; F7-F33 HydrophobicContact CB-CD2 3.92Å; F7-F33 HydrophobicContact CB-CE1 3.9Å; F7-F33 HydrophobicContact CB-CE2 4.11Å; F7-F33 HydrophobicContact CB-CG 3.75Å; F7-F33 HydrophobicContact CB-CZ 4.09Å; F7-F33 HydrophobicContact CD1-CB 4.04Å; F7-F33 HydrophobicContact CD1-CD1 4.15Å; F7-F33 HydrophobicContact CD1-CG 4.16Å; F7-F33 HydrophobicContact CG-CB 4.43Å; F7-F33 HydrophobicContact CG-CD1 4.38Å; F7-F33 HydrophobicContact CG-CG 4.24Å; F7-V35 HydrophobicContact CE1-CG1 3.63Å; F7-V35 HydrophobicContact CE1-CG2 4.31Å; F7-V35 HydrophobicContact CZ-CB 4.42Å; F7-V35 HydrophobicContact CZ-CG1 3.81Å; F7-V35 HydrophobicContact CZ-CG2 4.29Å; F7-L40 HydrophobicContact CD2-CD1 4.47Å; F7-L40 HydrophobicContact CE2-CD1 3.88Å; F7-L40 HydrophobicContact CE2-CD2 4.28Å; F7-L40 HydrophobicContact CZ-CD1 4.28Å; F7-L70 HydrophobicContact CB-CB 4.26Å; F7-L70 HydrophobicContact CD2-CB 4.04Å; F7-L70 HydrophobicContact CD2-CD2 4.3Å; F7-L70 HydrophobicContact CD2-CG 4.39Å; F7-L70 WeakPolarHBondContact CD2-O 3.27Å
8K75.1Confident76.5Confident151 Ų15168 Ų6866%0.65735%0.35SS*.THydrogen-bonded Turntrans40.645.4177-64.9177.5-175.5160.20113.8R10 E38K8-R10 PolarHBondContact O-N 3.12Å; K8-E38 IonicContact NZ-OE1 3.97Å; K8-E38 PolarHBondContact NZ-OE1 2.92Å; K8-E38 IonicContact NZ-OE2 2.7Å; K8-E38 PolarHBondContact NZ-OE2 2.7Å
9G69Low76.6Confident86 Ų8669.7 Ų69.789%0.88737%0.365SS*.THydrogen-bonded Turntrans87.8-16.4178.300000116.4F7F7-G9 PolarHBondContact O-N 3.03Å
10R69.1Low77Confident150 Ų15067.7 Ų67.757%0.56635%0.354SS*.EExtended strand (participates in β ladder)trans-80.4151171.4-69.4-178.360.7176.3-2.5111.2K6 F7 K8 E12 F33K6-R10 CarbonylContact C-O 3.6Å; K6-R10 WeakPolarHBondContact CA-O 3.34Å; F7-R10 PolarHBondContact N-O 2.94Å; F7-R10 PolarHBondContact O-N 2.96Å; K8-R10 PolarHBondContact O-N 3.12Å; R10-E12 IonicContact CZ-OE1 3.39Å; R10-E12 IonicContact NE-OE1 3.47Å; R10-E12 PolarHBondContact NE-OE1 3.05Å; R10-E12 IonicContact NH2-OE1 3.27Å; R10-E12 PolarHBondContact NH2-OE1 3.4Å; R10-F33 HydrophobicContact CB-CE1 3.93Å
11C73.4Confident77.3Confident60 Ų6066.1 Ų66.141%0.40535%0.347SS..EExtended strand (participates in β ladder)trans-132.9130.8175.2-172.20000108.8V5 K6V5-C11 WeakPolarHBondContact O-CA 3.11Å; K6-C11 HydrophobicContact CD-CB 4.27Å; K6-C11 WeakPolarHBondContact CE-SG 3.28Å; K6-C11 HydrophobicContact CG-CB 3.68Å; K6-C11 VanDerWaalsContact CG-SG 3.56Å
12E73.7Confident77.6Confident62 Ų6263.8 Ų63.829%0.2934%0.336SS..EExtended strand (participates in β ladder)trans-133.4153.7-177.1-58.6-70.8171.200109.4V5 R10 L32 F33V5-E12 PolarHBondContact N-O 2.96Å; V5-E12 PolarHBondContact O-N 2.74Å; R10-E12 IonicContact CZ-OE1 3.39Å; R10-E12 IonicContact NE-OE1 3.47Å; R10-E12 PolarHBondContact NE-OE1 3.05Å; R10-E12 IonicContact NH2-OE1 3.27Å; R10-E12 PolarHBondContact NH2-OE1 3.4Å; E12-L32 HydrophobicContact CB-CD2 3.42Å; E12-L32 VanDerWaalsContact CB-CD2 3.42Å; E12-L32 HydrophobicContact CG-CD2 3.55Å; E12-F33 HydrophobicContact CB-CE1 4.4Å; E12-F33 HydrophobicContact CB-CZ 3.85Å; E12-F33 HydrophobicContact CG-CE1 3.53Å; E12-F33 HydrophobicContact CG-CE2 4.46Å; E12-F33 HydrophobicContact CG-CZ 3.49Å; E12-F33 VanDerWaalsContact CG-CZ 3.49Å
13Q78.6Confident77.9Confident122 Ų12267.1 Ų67.157%0.5735%0.349SS*.EExtended strand (participates in β ladder)trans-98133.6177.4-51.4-162.110.100110I2 L4I2-Q13 HydrophobicContact CG2-CB 4.23Å; L4-Q13 HydrophobicContact CD2-CB 4.42Å; L4-Q13 HydrophobicContact CD2-CG 3.71Å
14V80Confident78.4Confident6 Ų670.8 Ų70.84%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-120.9117.6-179.3-165.20000108.8L3 V5 V16 L25 V28 L32L3-V14 PolarHBondContact N-O 3.35Å; L3-V14 PolarHBondContact O-N 3Å; V5-V14 HydrophobicContact CB-CG2 4.14Å; V5-V14 HydrophobicContact CG2-CB 4.43Å; V5-V14 HydrophobicContact CG2-CG2 3.56Å; V14-V16 HydrophobicContact CG1-CG1 3.8Å; V14-L25 HydrophobicContact CG1-CD1 4.49Å; V14-V28 HydrophobicContact CG1-CG1 3.71Å; V14-L32 HydrophobicContact CG2-CD1 4.1Å
15H82.6Confident78.9Confident143 Ų14369 Ų6966%0.66236%0.359SS*.EExtended strand (participates in β ladder)trans-85.4117.1174-69.1-105.3000108.8
16V82.4Confident79.1Confident16 Ų1670.2 Ų70.210%0.09737%0.365CS..  trans-133.7156-178.3-67.70000112.8M1 L3 V14 I20 L25 L57M1-V16 WeakPolarHBondContact CB-O 3.41Å; M1-V16 PolarHBondContact N-O 3.26Å; M1-V16 PolarHBondContact O-N 3.05Å; M1-V16 VanDerWaalsContact O-O 3.11Å; L3-V16 HydrophobicContact CD1-CG2 3.9Å; L3-V16 HydrophobicContact CG-CG2 4.18Å; V14-V16 HydrophobicContact CG1-CG1 3.8Å; V16-I20 HydrophobicContact CB-CD1 4.47Å; V16-I20 HydrophobicContact CB-CG2 4.09Å; V16-I20 HydrophobicContact CG1-CD1 4.05Å; V16-I20 HydrophobicContact CG2-CG2 4.34Å; V16-L25 HydrophobicContact CG1-CD1 3.69Å; V16-L57 HydrophobicContact CG2-CD1 3.78Å
17E81.7Confident79.6Confident142 Ų14270.8 Ų70.866%0.66437%0.368SS*.  trans-78.2142.6170-62.5-177.3176.400110.1T19 I20E17-T19 PolarHBondContact O-N 3.5Å; E17-I20 VanDerWaalsContact O-CG2 3.3Å; E17-I20 WeakPolarHBondContact O-CG2 3.34Å; E17-I20 PolarHBondContact O-N 3.02Å; E17-I20 VanDerWaalsContact O-N 3.1Å
18P74.9Confident79.9Confident63 Ų6372.5 Ų72.541%0.40938%0.381SS..THydrogen-bonded Turntrans-60.2-19.7-179.8-23.834.5000114.7M58P18-M58 HydrophobicContact CB-CG 4.28Å
19T78.4Confident80.4Confident101 Ų10165.3 Ų65.362%0.6235%0.349SS*.THydrogen-bonded Turntrans-84.2-5.2-18043.80000114E17E17-T19 PolarHBondContact O-N 3.5Å
20I83.7Confident81.1Confident29 Ų2962.9 Ų62.915%0.14931%0.314CS..  trans-63.8138.9178.7-161.2172.6000110.7V16 E17 N24 L25 L57V16-I20 HydrophobicContact CB-CD1 4.47Å; V16-I20 HydrophobicContact CB-CG2 4.09Å; V16-I20 HydrophobicContact CG1-CD1 4.05Å; V16-I20 HydrophobicContact CG2-CG2 4.34Å; E17-I20 VanDerWaalsContact O-CG2 3.3Å; E17-I20 WeakPolarHBondContact O-CG2 3.34Å; E17-I20 PolarHBondContact O-N 3.02Å; E17-I20 VanDerWaalsContact O-N 3.1Å; I20-N24 HydrophobicContact CD1-CB 4.01Å; I20-N24 HydrophobicContact CG1-CB 3.62Å; I20-L25 HydrophobicContact CD1-CB 4.27Å; I20-L57 HydrophobicContact CG2-CD1 3.43Å; I20-L57 VanDerWaalsContact CG2-CD1 3.43Å; I20-L57 HydrophobicContact CG2-CD2 4.05Å; I20-L57 HydrophobicContact CG2-CG 3.62Å; I20-L57 PolarHBondContact O-N 3.01Å
21T83.8Confident81.9Confident35 Ų3561.7 Ų61.722%0.21531%0.313CS..BIsolated β-bridgetrans-80.1155172.1590000111K23 N24 L25 A55T21-K23 VanDerWaalsContact C-N 3.27Å; T21-K23 PolarHBondContact O-N 3.21Å; T21-N24 PolarHBondContact O-N 3.42Å; T21-N24 VanDerWaalsContact O-N 3.12Å; T21-N24 PolarHBondContact OG1-N 3.28Å; T21-N24 PolarHBondContact OG1-ND2 2.93Å; T21-N24 PolarHBondContact OG1-OD1 2.92Å; T21-L25 PolarHBondContact O-N 2.77Å; T21-A55 CarbonylContact C-O 3.58Å; T21-A55 WeakPolarHBondContact CA-O 3.34Å
22L80.4Confident82.4Confident4 Ų462 Ų622%0.02131%0.311CS..Hα-helixtrans-54.9-43177.4-165.689.9000112.3N24 L25 E26 V50 A55 L60L22-N24 VanDerWaalsContact C-N 3.35Å; L22-N24 PolarHBondContact O-N 2.99Å; L22-L25 PolarHBondContact O-N 3.41Å; L22-E26 PolarHBondContact O-N 2.93Å; L22-V50 HydrophobicContact CD1-CB 3.78Å; L22-V50 HydrophobicContact CD1-CG1 4.06Å; L22-V50 VanDerWaalsContact CD2-O 3.24Å; L22-V50 WeakPolarHBondContact CD2-O 3.41Å; L22-A55 PolarHBondContact N-O 3.46Å; L22-L60 HydrophobicContact CD1-CD1 3.8Å
23K82.8Confident82.8Confident105 Ų10559.9 Ų59.946%0.45730%0.301SS..Hα-helixtrans-57.9-45.1177.2-173.5-173.4173.5-168.30112.4T21 L25 E26 E27 A53T21-K23 VanDerWaalsContact C-N 3.27Å; T21-K23 PolarHBondContact O-N 3.21Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 3.46Å; K23-E26 WeakPolarHBondContact O-CB 3.26Å; K23-E26 PolarHBondContact O-N 3.12Å; K23-E27 WeakPolarHBondContact CE-OE1 3.42Å; K23-E27 PolarHBondContact O-N 3.2Å; K23-A53 HydrophobicContact CB-CB 4.41Å; K23-A53 WeakPolarHBondContact CB-O 3.33Å; K23-A53 PolarHBondContact N-O 3.42Å
24N85.8Confident83Confident78 Ų7863 Ų6342%0.41731%0.312SS..Hα-helixtrans-67.6-37.3179.5-68.43000110.9I20 T21 L22 E26 E27 V28I20-N24 HydrophobicContact CD1-CB 4.01Å; I20-N24 HydrophobicContact CG1-CB 3.62Å; T21-N24 PolarHBondContact O-N 3.42Å; T21-N24 VanDerWaalsContact O-N 3.12Å; T21-N24 PolarHBondContact OG1-N 3.28Å; T21-N24 PolarHBondContact OG1-ND2 2.93Å; T21-N24 PolarHBondContact OG1-OD1 2.92Å; L22-N24 VanDerWaalsContact C-N 3.35Å; L22-N24 PolarHBondContact O-N 2.99Å; N24-E26 VanDerWaalsContact C-N 3.34Å; N24-E27 PolarHBondContact O-N 3.48Å; N24-V28 WeakPolarHBondContact O-CG2 3.24Å; N24-V28 PolarHBondContact O-N 3.07Å
25L85.4Confident83.2Confident0 Ų063.5 Ų63.50%032%0.315CS..Hα-helixtrans-65.2-36.6173.9-174.964.3000112.3L3 V14 V16 I20 T21 L22 K23 S29 L42 L57 L68L3-L25 HydrophobicContact CD1-CD1 4.29Å; L3-L25 HydrophobicContact CD1-CD2 3.65Å; V14-L25 HydrophobicContact CG1-CD1 4.49Å; V16-L25 HydrophobicContact CG1-CD1 3.69Å; I20-L25 HydrophobicContact CD1-CB 4.27Å; T21-L25 PolarHBondContact O-N 2.77Å; L22-L25 PolarHBondContact O-N 3.41Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-L25 PolarHBondContact O-N 3.46Å; L25-S29 VanDerWaalsContact O-CB 3.3Å; L25-S29 WeakPolarHBondContact O-CB 3.29Å; L25-S29 PolarHBondContact O-N 2.9Å; L25-S29 PolarHBondContact O-OG 3.27Å; L25-L42 HydrophobicContact CB-CD1 4Å; L25-L42 HydrophobicContact CD2-CD1 3.86Å; L25-L42 HydrophobicContact CG-CD1 3.65Å; L25-L57 HydrophobicContact CD2-CD2 3.82Å; L25-L68 HydrophobicContact CD2-CD1 3.5Å
26E85.4Confident83Confident27 Ų2762.9 Ų62.913%0.12631%0.313CS..Hα-helixtrans-61.2-47171.7-99.2-175-154.700112.3L22 K23 N24 S29 K30 Y41 L42L22-E26 PolarHBondContact O-N 2.93Å; K23-E26 WeakPolarHBondContact O-CB 3.26Å; K23-E26 PolarHBondContact O-N 3.12Å; N24-E26 VanDerWaalsContact C-N 3.34Å; E26-S29 WeakPolarHBondContact O-CB 3.37Å; E26-S29 PolarHBondContact O-N 3.39Å; E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 VanDerWaalsContact O-CG 3.28Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.4Å; E26-K30 IonicContact OE2-NZ 2.96Å; E26-K30 PolarHBondContact OE2-NZ 3.45Å; E26-Y41 WeakPolarHBondContact OE1-CA 3.3Å; E26-L42 HydrophobicContact CB-CD1 4.3Å; E26-L42 HydrophobicContact CG-CB 4.04Å; E26-L42 HydrophobicContact CG-CD1 3.7Å; E26-L42 HydrophobicContact CG-CG 3.53Å; E26-L42 PolarHBondContact OE1-N 3.27Å
27E85.7Confident82.8Confident85 Ų8574.2 Ų74.240%0.39735%0.353SS..Hα-helixtrans-64.6-41.8179-71.5-178.8-160.100111.9K23 N24 S29 K30 K31K23-E27 WeakPolarHBondContact CE-OE1 3.42Å; K23-E27 PolarHBondContact O-N 3.2Å; N24-E27 PolarHBondContact O-N 3.48Å; E27-S29 VanDerWaalsContact C-N 3.34Å; E27-K30 PolarHBondContact O-N 2.89Å; E27-K31 WeakPolarHBondContact O-CG 3.47Å; E27-K31 PolarHBondContact O-N 3.05Å
28V87Confident82.6Confident58 Ų5871 Ų7135%0.35234%0.338SS..Hα-helixtrans-60.4-44.3172.5170.80000110.8V14 N24 K31 L32V14-V28 HydrophobicContact CG1-CG1 3.71Å; N24-V28 WeakPolarHBondContact O-CG2 3.24Å; N24-V28 PolarHBondContact O-N 3.07Å; V28-K31 PolarHBondContact O-N 3.5Å; V28-L32 WeakPolarHBondContact O-CB 3.21Å; V28-L32 PolarHBondContact O-N 3.26Å
29S84.6Confident82.8Confident0 Ų071.6 Ų71.60%034%0.344CS..Hα-helixtrans-63.9-43.6177.9-59.80000112.3L25 E26 E27 K31 L32 F33L25-S29 VanDerWaalsContact O-CB 3.3Å; L25-S29 WeakPolarHBondContact O-CB 3.29Å; L25-S29 PolarHBondContact O-N 2.9Å; L25-S29 PolarHBondContact O-OG 3.27Å; E26-S29 WeakPolarHBondContact O-CB 3.37Å; E26-S29 PolarHBondContact O-N 3.39Å; E27-S29 VanDerWaalsContact C-N 3.34Å; S29-K31 PolarHBondContact O-N 2.83Å; S29-L32 PolarHBondContact O-N 2.95Å; S29-F33 WeakPolarHBondContact O-CD2 3.4Å; S29-F33 PolarHBondContact O-N 3Å
30K84.7Confident83Confident34 Ų3466.9 Ų66.915%0.14832%0.315CS..Hα-helixtrans-61.2-43.5177.6-77.1161.9180157.40111.9E26 E27 K34 V35 L40 L70E26-K30 WeakPolarHBondContact O-CB 3.48Å; E26-K30 VanDerWaalsContact O-CG 3.28Å; E26-K30 WeakPolarHBondContact O-CG 3.36Å; E26-K30 PolarHBondContact O-N 3.4Å; E26-K30 IonicContact OE2-NZ 2.96Å; E26-K30 PolarHBondContact OE2-NZ 3.45Å; E27-K30 PolarHBondContact O-N 2.89Å; K30-K34 PolarHBondContact O-N 2.92Å; K30-K34 VanDerWaalsContact O-N 3.07Å; K30-V35 PolarHBondContact O-N 2.71Å; K30-L40 WeakPolarHBondContact CE-O 3.5Å; K30-L40 HydrophobicContact CG-CD1 4.32Å; K30-L40 PolarHBondContact NZ-O 2.8Å; K30-L70 HydrophobicContact CG-CD2 4.4Å
31K84Confident83Confident125 Ų12566.8 Ų66.854%0.54331%0.313SS..Hα-helixtrans-61.3-47.1173.6-72.4172.1179.3173.80111.5E27 V28 S29 F33 K34 E36E27-K31 WeakPolarHBondContact O-CG 3.47Å; E27-K31 PolarHBondContact O-N 3.05Å; V28-K31 PolarHBondContact O-N 3.5Å; S29-K31 PolarHBondContact O-N 2.83Å; K31-F33 VanDerWaalsContact C-N 3.35Å; K31-F33 PolarHBondContact O-N 3.02Å; K31-K34 PolarHBondContact O-N 3.42Å; K31-E36 HydrophobicContact CG-CG 4.08Å; K31-E36 WeakPolarHBondContact CG-OE1 3.31Å
32L84.1Confident82.8Confident67 Ų6765.1 Ų65.135%0.35130%0.303SS..Hα-helixtrans-63.8-37.4-176.8-168.2145.8000112.8E12 V14 V28 S29E12-L32 HydrophobicContact CB-CD2 3.42Å; E12-L32 VanDerWaalsContact CB-CD2 3.42Å; E12-L32 HydrophobicContact CG-CD2 3.55Å; V14-L32 HydrophobicContact CG2-CD1 4.1Å; V28-L32 WeakPolarHBondContact O-CB 3.21Å; V28-L32 PolarHBondContact O-N 3.26Å; S29-L32 PolarHBondContact O-N 2.95Å
33F83.1Confident82.5Confident18 Ų1865 Ų658%0.07930%0.302CS..THydrogen-bonded Turntrans-88.41.7173.5-71.9-71.7000114.8V5 F7 R10 E12 S29 K31 V35 L70V5-F33 HydrophobicContact CB-CE2 4.03Å; V5-F33 HydrophobicContact CG1-CE2 3.75Å; V5-F33 WeakPolarHBondContact O-CZ 3.3Å; F7-F33 HydrophobicContact CB-CB 4.45Å; F7-F33 HydrophobicContact CB-CD1 3.73Å; F7-F33 HydrophobicContact CB-CD2 3.92Å; F7-F33 HydrophobicContact CB-CE1 3.9Å; F7-F33 HydrophobicContact CB-CE2 4.11Å; F7-F33 HydrophobicContact CB-CG 3.75Å; F7-F33 HydrophobicContact CB-CZ 4.09Å; F7-F33 HydrophobicContact CD1-CB 4.04Å; F7-F33 HydrophobicContact CD1-CD1 4.15Å; F7-F33 HydrophobicContact CD1-CG 4.16Å; F7-F33 HydrophobicContact CG-CB 4.43Å; F7-F33 HydrophobicContact CG-CD1 4.38Å; F7-F33 HydrophobicContact CG-CG 4.24Å; R10-F33 HydrophobicContact CB-CE1 3.93Å; E12-F33 HydrophobicContact CB-CE1 4.4Å; E12-F33 HydrophobicContact CB-CZ 3.85Å; E12-F33 HydrophobicContact CG-CE1 3.53Å; E12-F33 HydrophobicContact CG-CE2 4.46Å; E12-F33 HydrophobicContact CG-CZ 3.49Å; E12-F33 VanDerWaalsContact CG-CZ 3.49Å; S29-F33 WeakPolarHBondContact O-CD2 3.4Å; S29-F33 PolarHBondContact O-N 3Å; K31-F33 VanDerWaalsContact C-N 3.35Å; K31-F33 PolarHBondContact O-N 3.02Å; F33-V35 VanDerWaalsContact C-N 3.34Å; F33-V35 HydrophobicContact CB-CG2 3.74Å; F33-V35 PolarHBondContact O-N 2.92Å; F33-L70 HydrophobicContact CD2-CD2 4.1Å
34K83.2Confident81.9Confident188 Ų18863.9 Ų63.982%0.81730%0.301SS*.THydrogen-bonded Turntrans5838.4-178.1-54.9-175.8178.9-175.90114.4K30 K31K30-K34 PolarHBondContact O-N 2.92Å; K30-K34 VanDerWaalsContact O-N 3.07Å; K31-K34 PolarHBondContact O-N 3.42Å
35V83.1Confident80.9Confident15 Ų1561.4 Ų61.49%0.09129%0.287CS..  trans-123.535-175.1-720000112.5F7 K30 F33 R37 E38 L40 L70F7-V35 HydrophobicContact CE1-CG1 3.63Å; F7-V35 HydrophobicContact CE1-CG2 4.31Å; F7-V35 HydrophobicContact CZ-CB 4.42Å; F7-V35 HydrophobicContact CZ-CG1 3.81Å; F7-V35 HydrophobicContact CZ-CG2 4.29Å; K30-V35 PolarHBondContact O-N 2.71Å; F33-V35 VanDerWaalsContact C-N 3.34Å; F33-V35 HydrophobicContact CB-CG2 3.74Å; F33-V35 PolarHBondContact O-N 2.92Å; V35-R37 PolarHBondContact O-N 2.86Å; V35-R37 VanDerWaalsContact O-N 3.12Å; V35-E38 HydrophobicContact CB-CB 4.35Å; V35-E38 HydrophobicContact CB-CG 4.25Å; V35-E38 HydrophobicContact CG1-CG 4.49Å; V35-E38 PolarHBondContact O-N 2.97Å; V35-L40 HydrophobicContact CB-CD1 3.88Å; V35-L40 HydrophobicContact CG2-CD1 3.33Å; V35-L70 HydrophobicContact CG2-CD2 4.04Å
36E78.1Confident80Confident131 Ų13166.1 Ų66.161%0.61231%0.308SS*.THydrogen-bonded Turntrans-56.6-27-177.8-62.7170.3-171.800114.5K31K31-E36 HydrophobicContact CG-CG 4.08Å; K31-E36 WeakPolarHBondContact CG-OE1 3.31Å
37R78.3Confident78.8Confident253 Ų25369.2 Ų69.296%0.95532%0.323SS*.THydrogen-bonded Turntrans-89.8-12.6179.1-61.4-175.7-177.5-176.40.4113.9V35V35-R37 PolarHBondContact O-N 2.86Å; V35-R37 VanDerWaalsContact O-N 3.12Å
38E77.9Confident78.1Confident75 Ų7569 Ų6935%0.3532%0.324SS..SBendtrans-81.3135178.3-64.3-173.2-168.900109.3K8 V35 L40K8-E38 IonicContact NZ-OE1 3.97Å; K8-E38 PolarHBondContact NZ-OE1 2.92Å; K8-E38 IonicContact NZ-OE2 2.7Å; K8-E38 PolarHBondContact NZ-OE2 2.7Å; V35-E38 HydrophobicContact CB-CB 4.35Å; V35-E38 HydrophobicContact CB-CG 4.25Å; V35-E38 HydrophobicContact CG1-CG 4.49Å; V35-E38 PolarHBondContact O-N 2.97Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 HydrophobicContact CB-CD1 4.08Å; E38-L40 HydrophobicContact CB-CD2 3.53Å; E38-L40 HydrophobicContact CB-CG 3.65Å; E38-L40 PolarHBondContact O-N 3.19Å
39S79.3Confident77.3Confident75 Ų7569.7 Ų69.752%0.52433%0.33SS..  trans-71.993.4168.751.80000108.2S72 Y73S39-S72 WeakPolarHBondContact O-CA 3.05Å; S39-Y73 VanDerWaalsContact O-CD2 3.27Å; S39-Y73 WeakPolarHBondContact O-CD2 3.28Å; S39-Y73 PolarHBondContact O-N 2.89Å
40L83.2Confident76.7Confident2 Ų270.3 Ų70.31%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-116.6155.2179.8-45.7179.9000112F7 K30 V35 E38 L70 I71F7-L40 HydrophobicContact CD2-CD1 4.47Å; F7-L40 HydrophobicContact CE2-CD1 3.88Å; F7-L40 HydrophobicContact CE2-CD2 4.28Å; F7-L40 HydrophobicContact CZ-CD1 4.28Å; K30-L40 WeakPolarHBondContact CE-O 3.5Å; K30-L40 HydrophobicContact CG-CD1 4.32Å; K30-L40 PolarHBondContact NZ-O 2.8Å; V35-L40 HydrophobicContact CB-CD1 3.88Å; V35-L40 HydrophobicContact CG2-CD1 3.33Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 HydrophobicContact CB-CD1 4.08Å; E38-L40 HydrophobicContact CB-CD2 3.53Å; E38-L40 HydrophobicContact CB-CG 3.65Å; E38-L40 PolarHBondContact O-N 3.19Å; L40-L70 HydrophobicContact CB-CD1 4.08Å; L40-L70 HydrophobicContact CB-CG 3.96Å; L40-L70 HydrophobicContact CD1-CD1 4.48Å; L40-L70 HydrophobicContact CD1-CD2 3.49Å; L40-L70 VanDerWaalsContact CD1-CD2 3.49Å; L40-L70 HydrophobicContact CD1-CG 3.66Å; L40-L70 HydrophobicContact CG-CG 4.43Å; L40-I71 CarbonylContact C-O 3.58Å; L40-I71 WeakPolarHBondContact CA-O 3.08Å; L40-I71 WeakPolarHBondContact CB-O 3.27Å
41Y82Confident76.1Confident28 Ų2871.3 Ų71.311%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-131.2159.417063.1-83.5000112.3E26 Q47 P49 L70 I71 Y73E26-Y41 WeakPolarHBondContact OE1-CA 3.3Å; Y41-Q47 PolarHBondContact OH-O 3.41Å; Y41-P49 HydrophobicContact CD2-CB 3.81Å; Y41-P49 HydrophobicContact CE2-CB 4.39Å; Y41-P49 HydrophobicContact CG-CB 4.5Å; Y41-L70 WeakPolarHBondContact O-CA 3.39Å; Y41-I71 WeakPolarHBondContact CD1-O 3.42Å; Y41-I71 HydrophobicContact CD2-CD1 4.31Å; Y41-I71 HydrophobicContact CE1-CB 4Å; Y41-I71 HydrophobicContact CE1-CG2 4.17Å; Y41-I71 HydrophobicContact CE2-CB 4.28Å; Y41-I71 HydrophobicContact CE2-CD1 3.53Å; Y41-I71 PolarHBondContact N-O 3.16Å; Y41-I71 PolarHBondContact O-N 3.19Å; Y41-Y73 AromaticContact CD1-CD1 3.92Å; Y41-Y73 HydrophobicContact CD1-CD1 3.92Å; Y41-Y73 HydrophobicContact CD1-CD2 4.02Å; Y41-Y73 AromaticContact CD1-CE1 3.63Å; Y41-Y73 HydrophobicContact CD1-CE1 3.63Å; Y41-Y73 AromaticContact CD1-CE2 3.74Å; Y41-Y73 HydrophobicContact CD1-CE2 3.74Å; Y41-Y73 HydrophobicContact CD1-CG 4.11Å; Y41-Y73 AromaticContact CD1-CZ 3.54Å; Y41-Y73 AromaticContact CE1-CD1 4Å; Y41-Y73 HydrophobicContact CE1-CD1 4Å; Y41-Y73 HydrophobicContact CE1-CE1 4.01Å; Y41-Y73 HydrophobicContact CE1-CG 4.35Å; Y41-Y73 HydrophobicContact CG-CE1 4.38Å; Y41-Y73 HydrophobicContact CG-CE2 4.38Å
42L81.1Confident75.7Confident0 Ų068.4 Ų68.40%035%0.353CS..EExtended strand (participates in β ladder)trans-89.7139.2174-76.3170.8000112.3V5 L25 E26 P49 V50 L68 H69 L70V5-L42 HydrophobicContact CG1-CD2 4.07Å; L25-L42 HydrophobicContact CB-CD1 4Å; L25-L42 HydrophobicContact CD2-CD1 3.86Å; L25-L42 HydrophobicContact CG-CD1 3.65Å; E26-L42 HydrophobicContact CB-CD1 4.3Å; E26-L42 HydrophobicContact CG-CB 4.04Å; E26-L42 HydrophobicContact CG-CD1 3.7Å; E26-L42 HydrophobicContact CG-CG 3.53Å; E26-L42 PolarHBondContact OE1-N 3.27Å; L42-P49 CarbonylContact O-C 3.44Å; L42-P49 VanDerWaalsContact O-CA 3.31Å; L42-P49 WeakPolarHBondContact O-CA 3.46Å; L42-V50 PolarHBondContact O-N 2.86Å; L42-L68 HydrophobicContact CD1-CD1 4.4Å; L42-L68 HydrophobicContact CD2-CB 4.02Å; L42-H69 CarbonylContact C-O 3.46Å; L42-H69 WeakPolarHBondContact CA-O 3.18Å; L42-L70 HydrophobicContact CD2-CD1 3.8Å; L42-L70 HydrophobicContact CG-CD1 4.12Å
43S74.5Confident75.1Confident0 Ų067.8 Ų67.80%036%0.358CS..EExtended strand (participates in β ladder)trans-141.1143.8-177.2-178.80000112.4N45 K46 Q47 D48 L68 H69S43-N45 PolarHBondContact OG-N 3.1Å; S43-N45 PolarHBondContact OG-OD1 3.45Å; S43-K46 PolarHBondContact OG-N 3.24Å; S43-Q47 PolarHBondContact OG-N 3.17Å; S43-Q47 VanDerWaalsContact OG-N 3.12Å; S43-D48 VanDerWaalsContact CA-O 3.28Å; S43-D48 WeakPolarHBondContact CA-O 3.19Å; S43-D48 WeakPolarHBondContact CB-O 3.43Å; S43-D48 PolarHBondContact OG-N 3.06Å; S43-D48 PolarHBondContact OG-O 2.83Å; S43-L68 CarbonylContact O-C 3.32Å; S43-L68 WeakPolarHBondContact O-CA 3.35Å; S43-H69 PolarHBondContact N-O 3.12Å; S43-H69 WeakPolarHBondContact O-CB 3.24Å; S43-H69 PolarHBondContact O-N 2.84Å
44L68.8Low74.8Confident82 Ų8273.3 Ų73.343%0.42939%0.388SS..SBendtrans-83.5-27.1169.3-78.4164.6000112.7V50 L62 L68L44-V50 HydrophobicContact CB-CG2 4.31Å; L44-V50 HydrophobicContact CD1-CG1 4.23Å; L44-V50 HydrophobicContact CD1-CG2 4.29Å; L44-V50 HydrophobicContact CG-CG2 3.85Å; L44-L62 HydrophobicContact CD1-CD2 4.08Å; L44-L62 HydrophobicContact CD2-CD2 3.87Å; L44-L62 HydrophobicContact CG-CD2 4.39Å; L44-L68 HydrophobicContact CD2-CD2 3.67Å; L44-L68 HydrophobicContact CG-CD2 3.86Å
45N65.4Low74.6Confident26 Ų2665 Ų6514%0.13935%0.354CS..SBendtrans-114.98.1-170.365.7-12.9000114.5S43 Q47 D48S43-N45 PolarHBondContact OG-N 3.1Å; S43-N45 PolarHBondContact OG-OD1 3.45Å; N45-Q47 PolarHBondContact O-N 3.15Å; N45-Q47 PolarHBondContact OD1-N 3.45Å; N45-Q47 VanDerWaalsContact OD1-N 3.16Å; N45-D48 PolarHBondContact ND2-OD2 3.07Å; N45-D48 PolarHBondContact OD1-N 2.91Å
46K67Low74.3Confident99 Ų9966 Ų6643%0.4336%0.36SS..SBendtrans66.215.9-173.3-52169.4-170.3161.60114.6S43 H69 I71S43-K46 PolarHBondContact OG-N 3.24Å; K46-H69 WeakPolarHBondContact CE-CE1 3.4Å; K46-H69 WeakPolarHBondContact CE-NE2 3.48Å; K46-H69 HydrophobicContact CG-CB 4.03Å; K46-H69 VanDerWaalsContact CG-CG 3.48Å; K46-I71 WeakPolarHBondContact O-CD1 3.42Å
47Q60.3Low73.9Confident93 Ų9359.8 Ų59.844%0.43533%0.331SS..SBendtrans-136.5-53.6-174.2-65.5-176.1-26.200112.5Y41 S43 N45Y41-Q47 PolarHBondContact OH-O 3.41Å; S43-Q47 PolarHBondContact OG-N 3.17Å; S43-Q47 VanDerWaalsContact OG-N 3.12Å; N45-Q47 PolarHBondContact O-N 3.15Å; N45-Q47 PolarHBondContact OD1-N 3.45Å; N45-Q47 VanDerWaalsContact OD1-N 3.16Å
48D69.5Low73.5Confident80 Ų8054.9 Ų54.943%0.42832%0.321SS..SBendtrans-101.5142.8-173.5-57-56000111S43 N45S43-D48 VanDerWaalsContact CA-O 3.28Å; S43-D48 WeakPolarHBondContact CA-O 3.19Å; S43-D48 WeakPolarHBondContact CB-O 3.43Å; S43-D48 PolarHBondContact OG-N 3.06Å; S43-D48 PolarHBondContact OG-O 2.83Å; N45-D48 PolarHBondContact ND2-OD2 3.07Å; N45-D48 PolarHBondContact OD1-N 2.91Å
49P71.9Confident73Confident73 Ų7358 Ų5847%0.47434%0.336SS..  trans-63.9142.1169.227.9-33.6000111.5Y41 L42 G51Y41-P49 HydrophobicContact CD2-CB 3.81Å; Y41-P49 HydrophobicContact CE2-CB 4.39Å; Y41-P49 HydrophobicContact CG-CB 4.5Å; L42-P49 CarbonylContact O-C 3.44Å; L42-P49 VanDerWaalsContact O-CA 3.31Å; L42-P49 WeakPolarHBondContact O-CA 3.46Å; P49-G51 VanDerWaalsContact C-N 3.35Å; P49-G51 PolarHBondContact O-N 3.03Å
50V71.7Confident72.5Confident12 Ų1256.6 Ų56.67%0.07332%0.322CS..  trans-76.883-179.4-175.30000111.1L22 L42 L44 L60 L68L22-V50 HydrophobicContact CD1-CB 3.78Å; L22-V50 HydrophobicContact CD1-CG1 4.06Å; L22-V50 VanDerWaalsContact CD2-O 3.24Å; L22-V50 WeakPolarHBondContact CD2-O 3.41Å; L42-V50 PolarHBondContact O-N 2.86Å; L44-V50 HydrophobicContact CB-CG2 4.31Å; L44-V50 HydrophobicContact CD1-CG1 4.23Å; L44-V50 HydrophobicContact CD1-CG2 4.29Å; L44-V50 HydrophobicContact CG-CG2 3.85Å; V50-L60 HydrophobicContact CG1-CD1 3.88Å; V50-L60 HydrophobicContact CG1-CD2 3.92Å; V50-L60 HydrophobicContact CG1-CG 4.34Å; V50-L68 HydrophobicContact CG2-CD2 3.87Å
51G72.3Confident71.8Confident55 Ų5559.2 Ų59.257%0.56735%0.35SS*.SBendtrans67.4-150.3173.500000113.8P49P49-G51 VanDerWaalsContact C-N 3.35Å; P49-G51 PolarHBondContact O-N 3.03Å
52A75.2Confident71.3Confident65 Ų6558.7 Ų58.754%0.53735%0.348SS..  trans-87.9144.1-178.300000111.8N54 A55A52-N54 PolarHBondContact O-N 3.16Å; A52-A55 VanDerWaalsContact O-CB 3.26Å; A52-A55 WeakPolarHBondContact O-CB 3.4Å; A52-A55 PolarHBondContact O-N 3.44Å
53A71.4Confident70.9Confident54 Ų5463 Ų6345%0.44637%0.374SS..THydrogen-bonded Turntrans-57.2-26.8-176.800000114.9K23K23-A53 HydrophobicContact CB-CB 4.41Å; K23-A53 WeakPolarHBondContact CB-O 3.33Å; K23-A53 PolarHBondContact N-O 3.42Å
54N77.7Confident70.7Confident133 Ų13368.4 Ų68.471%0.71140%0.4SS*.THydrogen-bonded Turntrans-91.3-6.6179.1-64.7-8.2000113.6A52A52-N54 PolarHBondContact O-N 3.16Å
55A78.5Confident70.9Confident14 Ų1471.3 Ų71.312%0.11641%0.409CS..  trans-67.4143.2179.900000111.1T21 L22 A52 E59 L60T21-A55 CarbonylContact C-O 3.58Å; T21-A55 WeakPolarHBondContact CA-O 3.34Å; L22-A55 PolarHBondContact N-O 3.46Å; A52-A55 VanDerWaalsContact O-CB 3.26Å; A52-A55 WeakPolarHBondContact O-CB 3.4Å; A52-A55 PolarHBondContact O-N 3.44Å; A55-E59 WeakPolarHBondContact CA-OE2 3.39Å; A55-L60 HydrophobicContact CB-CD1 4.32Å; A55-L60 HydrophobicContact CB-CD2 4.11Å; A55-L60 HydrophobicContact CB-CG 4.07Å
56T75.9Confident71.2Confident35 Ų3572.3 Ų72.322%0.21541%0.414CS..BIsolated β-bridgetrans-85.6158.8174.362.30000111.2M58 E59 L60T56-M58 PolarHBondContact O-N 3.3Å; T56-E59 PolarHBondContact N-OE2 3.12Å; T56-E59 PolarHBondContact O-N 2.72Å; T56-E59 VanDerWaalsContact O-N 3.17Å; T56-E59 VanDerWaalsContact OG1-CG 3.29Å; T56-E59 WeakPolarHBondContact OG1-CG 3.43Å; T56-E59 PolarHBondContact OG1-N 2.9Å; T56-E59 PolarHBondContact OG1-OE2 2.75Å; T56-L60 WeakPolarHBondContact O-CG 3.42Å; T56-L60 PolarHBondContact O-N 3.23Å; T56-L60 VanDerWaalsContact O-N 3.15Å
57L70.6Confident71.5Confident1 Ų168.8 Ų68.81%0.00540%0.402CS..THydrogen-bonded Turntrans-60.3-32.7178.6-53-176.2000112.8M1 L3 V16 I20 L25 L60 G61 L62M1-L57 HydrophobicContact SD-CD1 3.78Å; L3-L57 HydrophobicContact CD1-CD1 3.92Å; L3-L57 HydrophobicContact CD1-CD2 4.4Å; V16-L57 HydrophobicContact CG2-CD1 3.78Å; I20-L57 HydrophobicContact CG2-CD1 3.43Å; I20-L57 VanDerWaalsContact CG2-CD1 3.43Å; I20-L57 HydrophobicContact CG2-CD2 4.05Å; I20-L57 HydrophobicContact CG2-CG 3.62Å; I20-L57 PolarHBondContact O-N 3.01Å; L25-L57 HydrophobicContact CD2-CD2 3.82Å; L57-L60 PolarHBondContact O-N 2.79Å; L57-G61 PolarHBondContact O-N 3.02Å; L57-L62 HydrophobicContact CB-CB 4.44Å; L57-L62 HydrophobicContact CB-CD1 4.39Å; L57-L62 HydrophobicContact CD2-CD1 3.68Å; L57-L62 PolarHBondContact O-N 3.27Å; L57-L62 VanDerWaalsContact O-N 3.12Å
58M68.5Low72.4Confident150 Ų15064.4 Ų64.474%0.73938%0.381SS*.THydrogen-bonded Turntrans-63-45.5175.1-71.1-87.5-71.600112.3P18 T56 L60 G61P18-M58 HydrophobicContact CB-CG 4.28Å; T56-M58 PolarHBondContact O-N 3.3Å; M58-L60 VanDerWaalsContact C-N 3.28Å; M58-L60 PolarHBondContact O-N 2.89Å; M58-G61 PolarHBondContact O-N 2.92Å; M58-G61 VanDerWaalsContact O-N 3.16Å
59E68.4Low72.8Confident141 Ų14162 Ų6266%0.65937%0.368SS*.THydrogen-bonded Turntrans-67.4-30.5177.6-70.4161.5155.400112.3A55 T56 G61A55-E59 WeakPolarHBondContact CA-OE2 3.39Å; T56-E59 PolarHBondContact N-OE2 3.12Å; T56-E59 PolarHBondContact O-N 2.72Å; T56-E59 VanDerWaalsContact O-N 3.17Å; T56-E59 VanDerWaalsContact OG1-CG 3.29Å; T56-E59 WeakPolarHBondContact OG1-CG 3.43Å; T56-E59 PolarHBondContact OG1-N 2.9Å; T56-E59 PolarHBondContact OG1-OE2 2.75Å; E59-G61 VanDerWaalsContact C-N 3.26Å
60L69.3Low73.3Confident46 Ų4659 Ų5924%0.24135%0.347CS..THydrogen-bonded Turntrans-78.5-8.9175.4-64.9168.4000113.2L22 V50 A55 T56 L57 M58 L62L22-L60 HydrophobicContact CD1-CD1 3.8Å; V50-L60 HydrophobicContact CG1-CD1 3.88Å; V50-L60 HydrophobicContact CG1-CD2 3.92Å; V50-L60 HydrophobicContact CG1-CG 4.34Å; A55-L60 HydrophobicContact CB-CD1 4.32Å; A55-L60 HydrophobicContact CB-CD2 4.11Å; A55-L60 HydrophobicContact CB-CG 4.07Å; T56-L60 WeakPolarHBondContact O-CG 3.42Å; T56-L60 PolarHBondContact O-N 3.23Å; T56-L60 VanDerWaalsContact O-N 3.15Å; L57-L60 PolarHBondContact O-N 2.79Å; M58-L60 VanDerWaalsContact C-N 3.28Å; M58-L60 PolarHBondContact O-N 2.89Å; L60-L62 VanDerWaalsContact C-N 3.26Å; L60-L62 HydrophobicContact CB-CD1 4.09Å; L60-L62 HydrophobicContact CB-CG 4Å; L60-L62 HydrophobicContact CD1-CD1 4.14Å; L60-L62 PolarHBondContact O-N 3.41Å
61G68.7Low73.6Confident57 Ų5760 Ų6059%0.58835%0.352SS*.THydrogen-bonded Turntrans67.721.9-178.700000114.5L57 M58 E59L57-G61 PolarHBondContact O-N 3.02Å; M58-G61 PolarHBondContact O-N 2.92Å; M58-G61 VanDerWaalsContact O-N 3.16Å; E59-G61 VanDerWaalsContact C-N 3.26Å
62L70.7Confident73.8Confident16 Ų1660 Ų608%0.08434%0.344CS..  trans-71.1137.9-178.5-68.2169.2000111.1M1 L44 L57 L60 D66M1-L62 VanDerWaalsContact CE-C 3.45Å; M1-L62 HydrophobicContact CE-CB 4Å; M1-L62 WeakPolarHBondContact CE-O 3.32Å; L44-L62 HydrophobicContact CD1-CD2 4.08Å; L44-L62 HydrophobicContact CD2-CD2 3.87Å; L44-L62 HydrophobicContact CG-CD2 4.39Å; L57-L62 HydrophobicContact CB-CB 4.44Å; L57-L62 HydrophobicContact CB-CD1 4.39Å; L57-L62 HydrophobicContact CD2-CD1 3.68Å; L57-L62 PolarHBondContact O-N 3.27Å; L57-L62 VanDerWaalsContact O-N 3.12Å; L60-L62 VanDerWaalsContact C-N 3.26Å; L60-L62 HydrophobicContact CB-CD1 4.09Å; L60-L62 HydrophobicContact CB-CG 4Å; L60-L62 HydrophobicContact CD1-CD1 4.14Å; L60-L62 PolarHBondContact O-N 3.41Å; L62-D66 WeakPolarHBondContact CA-OD2 3.4Å; L62-D66 HydrophobicContact CD2-CB 4.26Å
63V72.4Confident73.6Confident90 Ų9063.3 Ų63.355%0.54534%0.343SS..  trans-115.1164.6-179.5-62.70000112.3M1 K65 D66M1-V63 VanDerWaalsContact CE-O 3.24Å; M1-V63 WeakPolarHBondContact CE-O 3.45Å; V63-K65 PolarHBondContact O-N 3.29Å; V63-D66 WeakPolarHBondContact CG2-OD1 3.35Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.48Å; V63-D66 PolarHBondContact N-OD2 2.72Å; V63-D66 VanDerWaalsContact O-CB 3.31Å; V63-D66 WeakPolarHBondContact O-CB 3.45Å; V63-D66 PolarHBondContact O-N 3.37Å; V63-D66 VanDerWaalsContact O-N 3.1Å
64E71.6Confident72.6Confident114 Ų11465.7 Ų65.753%0.53336%0.356SS..THydrogen-bonded Turntrans-63.1134.2-176.7-175.6157.7-110.300112M1 I2 D66M1-E64 HydrophobicContact CG-CB 4.49Å; I2-E64 HydrophobicContact CB-CG 4.25Å; I2-E64 PolarHBondContact N-OE1 3.35Å; E64-D66 VanDerWaalsContact C-N 3.34Å
65K71.4Confident70.5Confident143 Ų14364.4 Ų64.462%0.62237%0.365SS*.THydrogen-bonded Turntrans71.812.6-170.9-52.6177-175.6175.50115.9I2 V63I2-K65 PolarHBondContact O-N 3.44Å; V63-K65 PolarHBondContact O-N 3.29Å
66D73.2Confident68.1Low47 Ų4772.2 Ų72.225%0.25140%0.399SS..  trans-57.6144.4167.9-85.6-15000111.9L3 L4 L62 V63 E64L3-D66 HydrophobicContact CD2-CB 3.93Å; L4-D66 PolarHBondContact N-O 3.05Å; L62-D66 WeakPolarHBondContact CA-OD2 3.4Å; L62-D66 HydrophobicContact CD2-CB 4.26Å; V63-D66 WeakPolarHBondContact CG2-OD1 3.35Å; V63-D66 WeakPolarHBondContact CG2-OD2 3.48Å; V63-D66 PolarHBondContact N-OD2 2.72Å; V63-D66 VanDerWaalsContact O-CB 3.31Å; V63-D66 WeakPolarHBondContact O-CB 3.45Å; V63-D66 PolarHBondContact O-N 3.37Å; V63-D66 VanDerWaalsContact O-N 3.1Å; E64-D66 VanDerWaalsContact C-N 3.34Å
67C73.5Confident65.8Low26 Ų2682.6 Ų82.618%0.17643%0.434CS..EExtended strand (participates in β ladder)trans-107.6110.7-172.9-173.50000111L4 K6L4-C67 HydrophobicContact CB-CB 4.3Å; L4-C67 CarbonylContact O-C 3.54Å; L4-C67 WeakPolarHBondContact O-CA 3.09Å; K6-C67 VanDerWaalsContact CD-SG 3.53Å; K6-C67 VanDerWaalsContact CE-SG 3.5Å
68L78.8Confident63.6Low0 Ų087.4 Ų87.40%047%0.468CS..EExtended strand (participates in β ladder)trans-97.7152173.2-62.2167.3000110.8L3 L4 V5 K6 L25 L42 S43 L44 V50L3-L68 HydrophobicContact CD1-CD1 3.97Å; L4-L68 PolarHBondContact O-N 3.35Å; V5-L68 CarbonylContact C-O 3.55Å; V5-L68 WeakPolarHBondContact CA-O 3.48Å; V5-L68 HydrophobicContact CG2-CB 4.49Å; K6-L68 PolarHBondContact N-O 2.91Å; L25-L68 HydrophobicContact CD2-CD1 3.5Å; L42-L68 HydrophobicContact CD1-CD1 4.4Å; L42-L68 HydrophobicContact CD2-CB 4.02Å; S43-L68 CarbonylContact O-C 3.32Å; S43-L68 WeakPolarHBondContact O-CA 3.35Å; L44-L68 HydrophobicContact CD2-CD2 3.67Å; L44-L68 HydrophobicContact CG-CD2 3.86Å; V50-L68 HydrophobicContact CG2-CD2 3.87Å
69H76.4Confident61.5Low31 Ų3188 Ų8814%0.14447%0.473CS..EExtended strand (participates in β ladder)trans-119126.4179.9-72.2-76.6000109.1K6 L42 S43 K46 I71K6-H69 WeakPolarHBondContact O-CA 3.48Å; L42-H69 CarbonylContact C-O 3.46Å; L42-H69 WeakPolarHBondContact CA-O 3.18Å; S43-H69 PolarHBondContact N-O 3.12Å; S43-H69 WeakPolarHBondContact O-CB 3.24Å; S43-H69 PolarHBondContact O-N 2.84Å; K46-H69 WeakPolarHBondContact CE-CE1 3.4Å; K46-H69 WeakPolarHBondContact CE-NE2 3.48Å; K46-H69 HydrophobicContact CG-CB 4.03Å; K46-H69 VanDerWaalsContact CG-CG 3.48Å; H69-I71 HydrophobicContact CB-CG1 4.46Å
70L83.1Confident59.5Low8 Ų885.6 Ų85.64%0.04248%0.478CS..EExtended strand (participates in β ladder)trans-89.4124.1172.4-160.768.8000107.7V5 K6 F7 K30 F33 V35 L40 Y41 L42V5-L70 HydrophobicContact CG1-CB 4.4Å; K6-L70 PolarHBondContact O-N 3.39Å; F7-L70 HydrophobicContact CB-CB 4.26Å; F7-L70 HydrophobicContact CD2-CB 4.04Å; F7-L70 HydrophobicContact CD2-CD2 4.3Å; F7-L70 HydrophobicContact CD2-CG 4.39Å; F7-L70 WeakPolarHBondContact CD2-O 3.27Å; K30-L70 HydrophobicContact CG-CD2 4.4Å; F33-L70 HydrophobicContact CD2-CD2 4.1Å; V35-L70 HydrophobicContact CG2-CD2 4.04Å; L40-L70 HydrophobicContact CB-CD1 4.08Å; L40-L70 HydrophobicContact CB-CG 3.96Å; L40-L70 HydrophobicContact CD1-CD1 4.48Å; L40-L70 HydrophobicContact CD1-CD2 3.49Å; L40-L70 VanDerWaalsContact CD1-CD2 3.49Å; L40-L70 HydrophobicContact CD1-CG 3.66Å; L40-L70 HydrophobicContact CG-CG 4.43Å; Y41-L70 WeakPolarHBondContact O-CA 3.39Å; L42-L70 HydrophobicContact CD2-CD1 3.8Å; L42-L70 HydrophobicContact CG-CD1 4.12Å
71I78.6Confident57.3Low33 Ų3388.2 Ų88.217%0.16950%0.5CS..EExtended strand (participates in β ladder)trans-129.7141-173.3-48.9155.9000109.8L40 Y41 K46 H69L40-I71 CarbonylContact C-O 3.58Å; L40-I71 WeakPolarHBondContact CA-O 3.08Å; L40-I71 WeakPolarHBondContact CB-O 3.27Å; Y41-I71 WeakPolarHBondContact CD1-O 3.42Å; Y41-I71 HydrophobicContact CD2-CD1 4.31Å; Y41-I71 HydrophobicContact CE1-CB 4Å; Y41-I71 HydrophobicContact CE1-CG2 4.17Å; Y41-I71 HydrophobicContact CE2-CB 4.28Å; Y41-I71 HydrophobicContact CE2-CD1 3.53Å; Y41-I71 PolarHBondContact N-O 3.16Å; Y41-I71 PolarHBondContact O-N 3.19Å; K46-I71 WeakPolarHBondContact O-CD1 3.42Å; H69-I71 HydrophobicContact CB-CG1 4.46Å
72S76Confident55.1Low56 Ų5690.4 Ų90.439%0.39251%0.507SS..EExtended strand (participates in β ladder)trans-78.9135.9172.7520000112.7S39 S74S39-S72 WeakPolarHBondContact O-CA 3.05Å; S72-S74 PolarHBondContact O-N 3.15Å
73Y70.3Confident52.9Low134 Ų13494.3 Ų94.353%0.52554%0.535SS..PPolyproline II helixtrans-61.1118.3162.9-68.9-78.4000109S39 Y41 A75S39-Y73 VanDerWaalsContact O-CD2 3.27Å; S39-Y73 WeakPolarHBondContact O-CD2 3.28Å; S39-Y73 PolarHBondContact O-N 2.89Å; Y41-Y73 AromaticContact CD1-CD1 3.92Å; Y41-Y73 HydrophobicContact CD1-CD1 3.92Å; Y41-Y73 HydrophobicContact CD1-CD2 4.02Å; Y41-Y73 AromaticContact CD1-CE1 3.63Å; Y41-Y73 HydrophobicContact CD1-CE1 3.63Å; Y41-Y73 AromaticContact CD1-CE2 3.74Å; Y41-Y73 HydrophobicContact CD1-CE2 3.74Å; Y41-Y73 HydrophobicContact CD1-CG 4.11Å; Y41-Y73 AromaticContact CD1-CZ 3.54Å; Y41-Y73 AromaticContact CE1-CD1 4Å; Y41-Y73 HydrophobicContact CE1-CD1 4Å; Y41-Y73 HydrophobicContact CE1-CE1 4.01Å; Y41-Y73 HydrophobicContact CE1-CG 4.35Å; Y41-Y73 HydrophobicContact CG-CE1 4.38Å; Y41-Y73 HydrophobicContact CG-CE2 4.38Å; Y73-A75 PolarHBondContact O-N 2.88Å
74S50.7Low50.5Low104 Ų10498.4 Ų98.473%0.72755%0.548SS*.PPolyproline II helixtrans-71.4117.8176.148.40000110.2S72 E76S72-S74 PolarHBondContact O-N 3.15Å; S74-E76 PolarHBondContact O-N 2.8Å
75A32.9Very low49.1Very low107 Ų10799.9 Ų99.988%0.88457%0.565SS**  trans-78.162.7179.900000112.3Y73Y73-A75 PolarHBondContact O-N 2.88Å
76E29.9Very low47Very low178 Ų17899 Ų9983%0.83257%0.574SS**  trans-127.174.4170.9-73.9-171.6171.300110S74S74-E76 PolarHBondContact O-N 2.8Å
77R27.3Very low44.6Very low253 Ų253100.1 Ų100.196%0.95560%0.596SS**  trans-149.167.4164.2-99.8-172.9-179.9179.2-0.5109.7
78S24.4Very low42.5Very low102 Ų102102.8 Ų102.871%0.71361%0.612SS**  trans-91.1134.6160.649.50000109.7
79D24.1Very low40Very low161 Ų161107.3 Ų107.386%0.86163%0.632SS**SBendtrans75.2151.6165.1-54.3-29.9000120.6
80A25.1Very low37.9Very low91 Ų91110.7 Ų110.775%0.75266%0.656SS**  trans69.875.7171.700000119
81S24.4Very low35.1Very low101 Ų101118.9 Ų118.971%0.70669%0.691SS**  38.7127.3120.561.50000122.1
82S22.8Very low32.7Very low104 Ų104121.3 Ų121.373%0.72771%0.707SS**  trans68.7145.3140.256.60000121.4
83S23.5Very low30.4Very low97 Ų97123.2 Ų123.268%0.67872%0.717SS**  trans63.2111.4162.940.90000119
84E23.2Very low28.2Very low177 Ų177122.2 Ų122.283%0.82772%0.717SS**  63.2118.5127.1-61.5-177.6154.800121
85V41Very low27.3Very low144 Ų144121.7 Ų121.787%0.87371%0.705SS**  trans49.490.7149.9-163.90000117.8
86P27.3Very low27.4Very low126 Ų126120.5 Ų120.582%0.81869%0.688SS**  trans-123.9148.9138.833.9-22.6000110.1
87G24.3Very low27.5Very low70 Ų70117.6 Ų117.672%0.72269%0.688SS**  cis136.492.525.200000106.6K89G87-K89 PolarHBondContact O-N 2.76Å
88T27.7Very low27.9Very low81 Ų81109.5 Ų109.550%0.49766%0.663SS.*  trans-59.9123-175.8-4.40000112I322 L323T88-I322 HydrophobicContact CG2-CG2 4.11Å; T88-I322 WeakPolarHBondContact OG1-CG2 3.45Å; T88-I322 PolarHBondContact OG1-O 2.87Å; T88-L323 HydrophobicContact CG2-CD2 4.32Å
89K27.6Very low28.6Very low96 Ų96111.7 Ų111.742%0.41766%0.656SS.*  trans163.3159.3138.8-91.4149.9-166.1-87.10112.8G87 L323 V325G87-K89 PolarHBondContact O-N 2.76Å; K89-L323 HydrophobicContact CG-CD2 4.45Å; K89-V325 HydrophobicContact CD-CB 4.21Å; K89-V325 HydrophobicContact CD-CG1 4.28Å; K89-V325 HydrophobicContact CD-CG2 3.98Å; K89-V325 VanDerWaalsContact NZ-CB 3.34Å
90P31.4Very low29.8Very low102 Ų102108.1 Ų108.166%0.66264%0.641SS**  cis-128146.2-26.934.6-19.4000113.1V92P90-V92 PolarHBondContact O-N 2.81Å
91K25.4Very low30.9Very low179 Ų179108 Ų10878%0.77863%0.628SS**  trans-56.3124.3167.2-83.6175.2169.4173.50111.1
92V27.4Very low32.1Very low84 Ų84105.3 Ų105.351%0.50961%0.605SS.*  trans-116.5101.9156.5179.90000108.8P90 Q94P90-V92 PolarHBondContact O-N 2.81Å; V92-Q94 PolarHBondContact O-N 2.99Å; V92-Q94 VanDerWaalsContact O-N 3.11Å
93V27.7Very low33.7Very low97 Ų97100.8 Ų100.859%0.58857%0.573SS**  trans-75.498.1179.7-1780000109.2L95V93-L95 HydrophobicContact CG1-CG 4.37Å; V93-L95 PolarHBondContact O-N 2.9Å
94Q24.9Very low35.6Very low113 Ų11397.8 Ų97.853%0.52855%0.549SS..  trans-76.5101.1167.4-82.6-161-3.200110.6V92V92-Q94 PolarHBondContact O-N 2.99Å; V92-Q94 VanDerWaalsContact O-N 3.11Å
95L30.3Very low37.5Very low92 Ų9292.7 Ų92.748%0.48253%0.525SS..  trans-66151.1170.1-70.9158.2000111.3V93 S97 F259V93-L95 HydrophobicContact CG1-CG 4.37Å; V93-L95 PolarHBondContact O-N 2.9Å; L95-S97 PolarHBondContact O-N 3.37Å; L95-F259 HydrophobicContact CB-CD1 4.25Å; L95-F259 HydrophobicContact CB-CE1 3.55Å; L95-F259 HydrophobicContact CB-CZ 4.19Å; L95-F259 HydrophobicContact CD1-CD1 4.13Å; L95-F259 HydrophobicContact CD1-CE1 3.86Å; L95-F259 HydrophobicContact CD2-CE1 4.11Å; L95-F259 HydrophobicContact CG-CE1 4.03Å
96P35.3Very low38.8Very low82 Ų8290.4 Ų90.453%0.53251%0.505SS..  trans-64.1131.6-178.825-33.6000111.6L98 F259P96-L98 VanDerWaalsContact C-N 3.26Å; P96-L98 PolarHBondContact O-N 3.04Å; P96-F259 HydrophobicContact CG-CZ 4.23Å; P96-F259 WeakPolarHBondContact O-CE2 3.35Å; P96-F259 WeakPolarHBondContact O-CZ 3.08Å
97S32.3Very low40.9Very low117 Ų11786 Ų8682%0.81848%0.476SS*.  trans-74.374.8176.264.70000111.5L95L95-S97 PolarHBondContact O-N 3.37Å
98L35.5Very low43.6Very low84 Ų8482.9 Ų82.944%0.4444%0.442SS..  trans-67.7131155.2-66.9175.4000107.4P96 D102 V103 F259P96-L98 VanDerWaalsContact C-N 3.26Å; P96-L98 PolarHBondContact O-N 3.04Å; L98-D102 HydrophobicContact CB-CB 4.4Å; L98-D102 HydrophobicContact CD2-CB 4.27Å; L98-V103 HydrophobicContact CB-CG2 3.8Å; L98-V103 HydrophobicContact CD1-CG2 4.03Å; L98-F259 HydrophobicContact CB-CD2 4.48Å; L98-F259 HydrophobicContact CB-CE2 4.1Å; L98-F259 HydrophobicContact CD1-CE2 4.23Å; L98-F259 HydrophobicContact CG-CE2 4.35Å
99R39.7Very low46.1Very low147 Ų14780.3 Ų80.356%0.55543%0.429SS*.  trans-65.6151.8172-56.7174.1-62.1169.27.2107.6I101 D102 V103R99-I101 PolarHBondContact O-N 3.5Å; R99-D102 VanDerWaalsContact CB-OD2 3.26Å; R99-D102 WeakPolarHBondContact CB-OD2 3.2Å; R99-D102 WeakPolarHBondContact CG-OD2 3.32Å; R99-D102 IonicContact CZ-OD1 2.74Å; R99-D102 VanDerWaalsContact CZ-OD1 3.3Å; R99-D102 PolarHBondContact N-OD2 3.45Å; R99-D102 IonicContact NE-OD1 3.22Å; R99-D102 PolarHBondContact NE-OD1 3.08Å; R99-D102 IonicContact NE-OD2 3.16Å; R99-D102 PolarHBondContact NE-OD2 3.41Å; R99-D102 IonicContact NH2-OD1 2.75Å; R99-D102 PolarHBondContact NH2-OD1 3.34Å; R99-D102 PolarHBondContact O-N 3.46Å; R99-V103 PolarHBondContact O-N 3.29Å
100P48.7Very low48.6Very low86 Ų8681.5 Ų81.556%0.55844%0.435SS*.Hα-helixtrans-52.7-31.3175.4-28.235.7000113.3L104P100-L104 WeakPolarHBondContact O-CB 3.46Å; P100-L104 PolarHBondContact O-N 3.47Å; P100-L104 VanDerWaalsContact O-N 3.14Å
101I49Very low50.8Low90 Ų9076.9 Ų76.946%0.46241%0.405SS..Hα-helixtrans-62-47.2173.9-60.5168.1000111.4R99 V103 L104 E105R99-I101 PolarHBondContact O-N 3.5Å; I101-V103 VanDerWaalsContact C-N 3.28Å; I101-V103 PolarHBondContact O-N 2.69Å; I101-L104 CarbonylContact O-C 3.58Å; I101-L104 WeakPolarHBondContact O-CA 3.48Å; I101-L104 WeakPolarHBondContact O-CB 3.33Å; I101-L104 PolarHBondContact O-N 2.98Å; I101-L104 VanDerWaalsContact O-N 3.13Å; I101-E105 HydrophobicContact CG2-CG 4.49Å; I101-E105 PolarHBondContact O-N 3.03Å
102D49.5Very low53.5Low44 Ų4468.4 Ų68.424%0.23537%0.368CS..Hα-helixtrans-64.9-34.7-174-46.9-33.5000111.2L98 R99 E105 E106L98-D102 HydrophobicContact CB-CB 4.4Å; L98-D102 HydrophobicContact CD2-CB 4.27Å; R99-D102 VanDerWaalsContact CB-OD2 3.26Å; R99-D102 WeakPolarHBondContact CB-OD2 3.2Å; R99-D102 WeakPolarHBondContact CG-OD2 3.32Å; R99-D102 IonicContact CZ-OD1 2.74Å; R99-D102 VanDerWaalsContact CZ-OD1 3.3Å; R99-D102 PolarHBondContact N-OD2 3.45Å; R99-D102 IonicContact NE-OD1 3.22Å; R99-D102 PolarHBondContact NE-OD1 3.08Å; R99-D102 IonicContact NE-OD2 3.16Å; R99-D102 PolarHBondContact NE-OD2 3.41Å; R99-D102 IonicContact NH2-OD1 2.75Å; R99-D102 PolarHBondContact NH2-OD1 3.34Å; R99-D102 PolarHBondContact O-N 3.46Å; D102-E105 PolarHBondContact O-N 3.14Å; D102-E106 PolarHBondContact O-N 3.03Å
103V56.8Low56Low9 Ų971 Ų716%0.05537%0.369CS..Hα-helixtrans-76.3-35.4175.3-164.70000112.2L98 R99 I101 E105 T107 L262L98-V103 HydrophobicContact CB-CG2 3.8Å; L98-V103 HydrophobicContact CD1-CG2 4.03Å; R99-V103 PolarHBondContact O-N 3.29Å; I101-V103 VanDerWaalsContact C-N 3.28Å; I101-V103 PolarHBondContact O-N 2.69Å; V103-E105 VanDerWaalsContact C-N 3.32Å; V103-T107 VanDerWaalsContact O-CB 3.27Å; V103-T107 WeakPolarHBondContact O-CB 3.35Å; V103-T107 PolarHBondContact O-N 3.43Å; V103-T107 PolarHBondContact O-OG1 2.88Å; V103-L262 HydrophobicContact CB-CD1 4.17Å; V103-L262 HydrophobicContact CG1-CB 4.13Å; V103-L262 HydrophobicContact CG1-CD1 3.76Å; V103-L262 HydrophobicContact CG1-CD2 4.09Å; V103-L262 HydrophobicContact CG1-CG 4.2Å
104L62.1Low58.4Low34 Ų3469.5 Ų69.518%0.17836%0.358CS..Hα-helixtrans-59.8-41.2169.2-93.7155.8000111.3P100 I101 T107 F108 Y237P100-L104 WeakPolarHBondContact O-CB 3.46Å; P100-L104 PolarHBondContact O-N 3.47Å; P100-L104 VanDerWaalsContact O-N 3.14Å; I101-L104 CarbonylContact O-C 3.58Å; I101-L104 WeakPolarHBondContact O-CA 3.48Å; I101-L104 WeakPolarHBondContact O-CB 3.33Å; I101-L104 PolarHBondContact O-N 2.98Å; I101-L104 VanDerWaalsContact O-N 3.13Å; L104-T107 PolarHBondContact O-N 3.01Å; L104-F108 HydrophobicContact CB-CD2 4.36Å; L104-F108 HydrophobicContact CB-CE2 4.09Å; L104-F108 HydrophobicContact CD2-CD2 4.38Å; L104-F108 HydrophobicContact CD2-CE1 4.49Å; L104-F108 HydrophobicContact CD2-CE2 3.59Å; L104-F108 HydrophobicContact CD2-CZ 3.65Å; L104-F108 HydrophobicContact CG-CE2 4.44Å; L104-F108 WeakPolarHBondContact O-CB 3.42Å; L104-F108 WeakPolarHBondContact O-CD2 3.49Å; L104-F108 WeakPolarHBondContact O-CG 3.31Å; L104-F108 PolarHBondContact O-N 2.92Å; L104-Y237 HydrophobicContact CD1-CD1 4.42Å; L104-Y237 HydrophobicContact CD1-CE1 3.97Å; L104-Y237 HydrophobicContact CD2-CD1 3.96Å; L104-Y237 HydrophobicContact CD2-CD2 4.19Å; L104-Y237 HydrophobicContact CD2-CE1 3.77Å; L104-Y237 HydrophobicContact CD2-CE2 4.01Å; L104-Y237 HydrophobicContact CD2-CG 4.17Å; L104-Y237 HydrophobicContact CG-CE1 4.49Å
105E64.2Low60.9Low69 Ų6964.1 Ų64.132%0.32233%0.332SS..Hα-helixtrans-63.3-47.3176.1-74.7-175.5-148.500113.1I101 D102 V103 T107 F108 A109I101-E105 HydrophobicContact CG2-CG 4.49Å; I101-E105 PolarHBondContact O-N 3.03Å; D102-E105 PolarHBondContact O-N 3.14Å; V103-E105 VanDerWaalsContact C-N 3.32Å; E105-T107 PolarHBondContact O-N 2.79Å; E105-F108 PolarHBondContact O-N 2.79Å; E105-A109 VanDerWaalsContact O-CB 3.3Å; E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.1Å
106E68.8Low63.3Low97 Ų9760.1 Ų60.145%0.45331%0.312SS..Hα-helixtrans-57.9-40.8175-170.5-167.3171.300110.7D102 K110 K266D102-E106 PolarHBondContact O-N 3.03Å; E106-K110 PolarHBondContact O-N 2.83Å; E106-K266 IonicContact OE1-NZ 2.8Å; E106-K266 PolarHBondContact OE1-NZ 3.11Å; E106-K266 IonicContact OE2-NZ 3.81Å; E106-K266 PolarHBondContact OE2-NZ 3.38Å
107T71.7Confident65.1Low34 Ų3456.9 Ų56.921%0.20929%0.291CS..Hα-helixtrans-72.7-42.1-177-55.40000112.1V103 L104 E105 K110 A111 A138V103-T107 VanDerWaalsContact O-CB 3.27Å; V103-T107 WeakPolarHBondContact O-CB 3.35Å; V103-T107 PolarHBondContact O-N 3.43Å; V103-T107 PolarHBondContact O-OG1 2.88Å; L104-T107 PolarHBondContact O-N 3.01Å; E105-T107 PolarHBondContact O-N 2.79Å; T107-K110 PolarHBondContact O-N 2.83Å; T107-A111 VanDerWaalsContact O-CB 3.28Å; T107-A111 WeakPolarHBondContact O-CB 3.25Å; T107-A111 PolarHBondContact O-N 2.91Å; T107-A138 HydrophobicContact CG2-CB 4.04Å; T107-A138 WeakPolarHBondContact CG2-O 3.46Å
108F81Confident67.1Low3 Ų358.1 Ų58.11%0.01329%0.288CS..Hα-helixtrans-64.2-45.5171.4-72.5-49.9000111.4L104 E105 K110 A111 F112 A138 M225 L233 Y237L104-F108 HydrophobicContact CB-CD2 4.36Å; L104-F108 HydrophobicContact CB-CE2 4.09Å; L104-F108 HydrophobicContact CD2-CD2 4.38Å; L104-F108 HydrophobicContact CD2-CE1 4.49Å; L104-F108 HydrophobicContact CD2-CE2 3.59Å; L104-F108 HydrophobicContact CD2-CZ 3.65Å; L104-F108 HydrophobicContact CG-CE2 4.44Å; L104-F108 WeakPolarHBondContact O-CB 3.42Å; L104-F108 WeakPolarHBondContact O-CD2 3.49Å; L104-F108 WeakPolarHBondContact O-CG 3.31Å; L104-F108 PolarHBondContact O-N 2.92Å; E105-F108 PolarHBondContact O-N 2.79Å; F108-K110 VanDerWaalsContact C-N 3.27Å; F108-K110 PolarHBondContact O-N 2.92Å; F108-A111 PolarHBondContact O-N 2.87Å; F108-F112 WeakPolarHBondContact O-CB 3.2Å; F108-F112 PolarHBondContact O-N 2.79Å; F108-A138 HydrophobicContact CD1-CB 3.46Å; F108-A138 VanDerWaalsContact CD1-CB 3.46Å; F108-A138 HydrophobicContact CE1-CB 3.68Å; F108-A138 HydrophobicContact CG-CB 4.44Å; F108-M225 HydrophobicContact CB-SD 3.96Å; F108-L233 HydrophobicContact CB-CD1 4.19Å; F108-L233 HydrophobicContact CD1-CB 4.04Å; F108-L233 HydrophobicContact CD1-CD1 4.03Å; F108-L233 HydrophobicContact CD1-CG 4.45Å; F108-L233 HydrophobicContact CD2-CB 4.45Å; F108-L233 HydrophobicContact CE1-CB 3.93Å; F108-L233 HydrophobicContact CE2-CB 4.33Å; F108-L233 HydrophobicContact CG-CB 4.33Å; F108-L233 HydrophobicContact CG-CD1 4.15Å; F108-L233 HydrophobicContact CZ-CB 4.08Å; F108-Y237 HydrophobicContact CZ-CD2 4.31Å; F108-Y237 HydrophobicContact CZ-CG 4.05Å
109A78.8Confident68.7Low27 Ų2756.6 Ų56.622%0.22328%0.283CS..Hα-helixtrans-59.6-38.9178.700000111.9E105 R113 M225E105-A109 VanDerWaalsContact O-CB 3.3Å; E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.1Å; A109-R113 WeakPolarHBondContact O-CG 3.29Å; A109-R113 PolarHBondContact O-N 3.42Å; A109-M225 HydrophobicContact CB-CE 3.87Å; A109-M225 HydrophobicContact CB-SD 4.47Å
110K80.1Confident70.5Confident121 Ų12155 Ų5553%0.52629%0.29SS..Hα-helixtrans-67.8-53.8172.7-176.7173.6179.8176.70111.8E106 T107 F108 F112 R113 D114E106-K110 PolarHBondContact O-N 2.83Å; T107-K110 PolarHBondContact O-N 2.83Å; F108-K110 VanDerWaalsContact C-N 3.27Å; F108-K110 PolarHBondContact O-N 2.92Å; K110-F112 PolarHBondContact O-N 3.27Å; K110-R113 PolarHBondContact O-N 2.8Å; K110-D114 WeakPolarHBondContact CE-OD2 3.3Å; K110-D114 VanDerWaalsContact CG-OD2 3.24Å; K110-D114 WeakPolarHBondContact CG-OD2 3.45Å; K110-D114 VanDerWaalsContact O-CG 3.27Å; K110-D114 PolarHBondContact O-N 2.92Å
111A78.3Confident72.1Confident5 Ų552.6 Ų52.64%0.04127%0.273CS..Hα-helixtrans-60.2-28.6-179.500000113.3T107 F108 G115 V134 I137 A138T107-A111 VanDerWaalsContact O-CB 3.28Å; T107-A111 WeakPolarHBondContact O-CB 3.25Å; T107-A111 PolarHBondContact O-N 2.91Å; F108-A111 PolarHBondContact O-N 2.87Å; A111-G115 WeakPolarHBondContact O-CA 3.35Å; A111-G115 PolarHBondContact O-N 3.01Å; A111-V134 HydrophobicContact CB-CG1 4.17Å; A111-I137 HydrophobicContact CB-CB 4.24Å; A111-I137 HydrophobicContact CB-CG2 3.91Å; A111-A138 HydrophobicContact CB-CB 3.81Å
112F81.4Confident73.5Confident1 Ų155.4 Ų55.40%0.00428%0.284CS..Hα-helixtrans-75.8-32.6175.3-171.9-94.2000112.4F108 K110 M116 L131 V134 V220 Q221 V224 M225 I229F108-F112 WeakPolarHBondContact O-CB 3.2Å; F108-F112 PolarHBondContact O-N 2.79Å; K110-F112 PolarHBondContact O-N 3.27Å; F112-M116 HydrophobicContact CD1-CG 4.26Å; F112-M116 HydrophobicContact CD2-CG 3.93Å; F112-M116 HydrophobicContact CD2-SD 4.18Å; F112-M116 HydrophobicContact CE1-CG 4.32Å; F112-M116 HydrophobicContact CE2-CG 4Å; F112-M116 HydrophobicContact CE2-SD 3.81Å; F112-M116 HydrophobicContact CG-CG 4.07Å; F112-M116 HydrophobicContact CZ-CG 4.2Å; F112-M116 HydrophobicContact CZ-SD 4.21Å; F112-M116 WeakPolarHBondContact O-CB 3.29Å; F112-M116 WeakPolarHBondContact O-CG 3.11Å; F112-L131 HydrophobicContact CD2-CD2 4.49Å; F112-L131 HydrophobicContact CE2-CD2 4.08Å; F112-V134 HydrophobicContact CB-CG1 4.12Å; F112-V134 HydrophobicContact CD2-CG1 4.31Å; F112-V220 HydrophobicContact CE2-CG1 3.5Å; F112-V220 HydrophobicContact CZ-CG1 3.43Å; F112-V220 VanDerWaalsContact CZ-CG1 3.43Å; F112-Q221 WeakPolarHBondContact CE1-O 3.44Å; F112-Q221 WeakPolarHBondContact CZ-O 3.35Å; F112-V224 WeakPolarHBondContact CE1-O 3.48Å; F112-M225 HydrophobicContact CD1-CB 4.48Å; F112-I229 HydrophobicContact CD2-CG2 4.3Å; F112-I229 HydrophobicContact CE2-CD1 4.34Å; F112-I229 HydrophobicContact CE2-CG2 3.87Å; F112-I229 HydrophobicContact CZ-CD1 4.13Å
113R80.1Confident74.8Confident138 Ų13856.2 Ų56.252%0.52129%0.288SS..Hα-helixtrans-73.3-43.5170.9-71.3-174.7-58.1-133.3-1112.3A109 K110 R222A109-R113 WeakPolarHBondContact O-CG 3.29Å; A109-R113 PolarHBondContact O-N 3.42Å; K110-R113 PolarHBondContact O-N 2.8Å; R113-R222 PolarHBondContact O-NE 2.85Å; R113-R222 PolarHBondContact O-NH2 2.9Å
114D78.3Confident76Confident66 Ų6659.5 Ų59.535%0.35330%0.303SS..Hα-helixtrans-81.1-33.7-173-57.7-4.3000111.9K110 V148K110-D114 WeakPolarHBondContact CE-OD2 3.3Å; K110-D114 VanDerWaalsContact CG-OD2 3.24Å; K110-D114 WeakPolarHBondContact CG-OD2 3.45Å; K110-D114 VanDerWaalsContact O-CG 3.27Å; K110-D114 PolarHBondContact O-N 2.92Å; D114-V148 HydrophobicContact CB-CG1 3.75Å
115G77Confident77Confident0 Ų058.4 Ų58.40%030%0.297CS..Hα-helixtrans-95.4-23.8-172.800000115.9A111 I150A111-G115 WeakPolarHBondContact O-CA 3.35Å; A111-G115 PolarHBondContact O-N 3.01Å; G115-I150 PolarHBondContact O-N 3.11Å
116M79.9Confident77.9Confident9 Ų955.6 Ų55.64%0.04428%0.284CS..SBendtrans-65.7137.3-180-81.1-72.5-59.200111.7F112 L121 T130 V134 V220 R222F112-M116 HydrophobicContact CD1-CG 4.26Å; F112-M116 HydrophobicContact CD2-CG 3.93Å; F112-M116 HydrophobicContact CD2-SD 4.18Å; F112-M116 HydrophobicContact CE1-CG 4.32Å; F112-M116 HydrophobicContact CE2-CG 4Å; F112-M116 HydrophobicContact CE2-SD 3.81Å; F112-M116 HydrophobicContact CG-CG 4.07Å; F112-M116 HydrophobicContact CZ-CG 4.2Å; F112-M116 HydrophobicContact CZ-SD 4.21Å; F112-M116 WeakPolarHBondContact O-CB 3.29Å; F112-M116 WeakPolarHBondContact O-CG 3.11Å; M116-L121 HydrophobicContact CE-CD1 4.16Å; M116-T130 HydrophobicContact CE-CG2 4.22Å; M116-T130 HydrophobicContact SD-CG2 3.34Å; M116-T130 WeakPolarHBondContact SD-CG2 3.45Å; M116-V134 HydrophobicContact CG-CG2 4.49Å; M116-V220 HydrophobicContact CE-CB 4.35Å; M116-V220 HydrophobicContact CE-CG1 3.51Å; M116-V220 HydrophobicContact SD-CG1 3.78Å; M116-R222 HydrophobicContact CB-CB 4.39Å; M116-R222 HydrophobicContact CB-CG 3.91Å
117P74.2Confident78.7Confident14 Ų1451.1 Ų51.19%0.09126%0.263CS..  trans-70.5160.1176.831.1-34.3000111.4C119 L121 T130 I150P117-C119 VanDerWaalsContact C-N 3.31Å; P117-L121 HydrophobicContact CG-CD2 3.85Å; P117-T130 HydrophobicContact CG-CG2 4.37Å; P117-I150 HydrophobicContact CG-CD1 4.46Å
118N73.4Confident79.5Confident143 Ų14349.5 Ų49.577%0.76525%0.253SS*.SBendtrans-82.3-6.2176.5-70-27.1000113.8R222N118-R222 PolarHBondContact OD1-NH1 2.8Å
119C70.1Confident79.8Confident51 Ų5149.4 Ų49.435%0.34525%0.253SS..SBendtrans-96.7155.5-179.361.30000112.2P117P117-C119 VanDerWaalsContact C-N 3.31Å
120T77.3Confident80.2Confident114 Ų11448.1 Ų48.170%0.69924%0.242SC*.PPolyproline II helixtrans-68.3128.4171.5490000110.5R155T120-R155 PolarHBondContact O-NH2 2.96Å
121L81.8Confident80.7Confident36 Ų3642.3 Ų42.319%0.18822%0.217CC..PPolyproline II helixtrans-77125.9175.2-54.8174.8000108.9M116 P117 E126 V127 T130 W154 V220M116-L121 HydrophobicContact CE-CD1 4.16Å; P117-L121 HydrophobicContact CG-CD2 3.85Å; L121-E126 VanDerWaalsContact CA-OE2 3.29Å; L121-E126 WeakPolarHBondContact CA-OE2 3.16Å; L121-E126 HydrophobicContact CB-CB 4.25Å; L121-E126 HydrophobicContact CD2-CB 4.23Å; L121-V127 HydrophobicContact CB-CG2 3.95Å; L121-V127 HydrophobicContact CD1-CB 4.49Å; L121-V127 HydrophobicContact CD1-CG2 3.92Å; L121-T130 HydrophobicContact CD1-CG2 4.25Å; L121-W154 HydrophobicContact CD2-CH2 3.94Å; L121-W154 HydrophobicContact CD2-CZ2 4.12Å; L121-V220 HydrophobicContact CD1-CB 4.29Å
122Q77.7Confident81.3Confident148 Ų14842.1 Ų42.169%0.69222%0.215SC*.  trans-97.4-14.3-168-66.7-170.1-10.400114.3E126Q122-E126 PolarHBondContact N-OE2 3.2Å
123N78.5Confident81.7Confident61 Ų6142 Ų4233%0.32622%0.215SC..SBendtrans-153.9164.7-177.662.368.4000112.2M125 E126 V127N123-M125 PolarHBondContact O-N 3.04Å; N123-M125 WeakPolarHBondContact OD1-CA 3.37Å; N123-M125 WeakPolarHBondContact OD1-CB 3.41Å; N123-M125 PolarHBondContact OD1-N 3.17Å; N123-E126 WeakPolarHBondContact O-CB 3.19Å; N123-E126 PolarHBondContact O-N 3.5Å; N123-E126 VanDerWaalsContact O-N 3.15Å; N123-E126 PolarHBondContact OD1-N 3.46Å; N123-V127 PolarHBondContact O-N 3.48Å; N123-V127 VanDerWaalsContact O-N 3.15Å
124E80.9Confident82.1Confident79 Ų7935.5 Ų35.537%0.36919%0.19SC..Hα-helixtrans-59.6-29.2-178.9-62177.4162.100113.2V127 L128E124-V127 PolarHBondContact O-N 2.8Å; E124-L128 VanDerWaalsContact O-CB 3.29Å; E124-L128 WeakPolarHBondContact O-CB 3.33Å; E124-L128 PolarHBondContact O-N 2.89Å
125M82.8Confident82.7Confident10 Ų1032.3 Ų32.35%0.04917%0.173CC..Hα-helixtrans-74.4-35.9177.4-74.9-63.6-61.700112.7N123 V127 L128 S129 F163 C180 S182 A192 L213N123-M125 PolarHBondContact O-N 3.04Å; N123-M125 WeakPolarHBondContact OD1-CA 3.37Å; N123-M125 WeakPolarHBondContact OD1-CB 3.41Å; N123-M125 PolarHBondContact OD1-N 3.17Å; M125-V127 VanDerWaalsContact C-N 3.34Å; M125-L128 HydrophobicContact CE-CD2 4.13Å; M125-L128 HydrophobicContact SD-CD2 3.8Å; M125-S129 WeakPolarHBondContact O-CB 3.41Å; M125-S129 PolarHBondContact O-N 3.48Å; M125-S129 PolarHBondContact O-OG 2.88Å; M125-F163 HydrophobicContact CB-CD2 4.18Å; M125-F163 HydrophobicContact CB-CE2 3.66Å; M125-F163 HydrophobicContact CE-CD2 4.26Å; M125-C180 HydrophobicContact CE-CB 4.27Å; M125-S182 VanDerWaalsContact SD-CB 3.52Å; M125-A192 HydrophobicContact SD-CB 4.1Å; M125-L213 HydrophobicContact SD-CD2 4.04Å
126E84.2Confident83.3Confident11 Ų1132.3 Ų32.35%0.05117%0.173CC..Hα-helixtrans-63.9-41.6170.9-78.1-168.6178.700111.2L121 Q122 N123 T130 W154 R155 F163L121-E126 VanDerWaalsContact CA-OE2 3.29Å; L121-E126 WeakPolarHBondContact CA-OE2 3.16Å; L121-E126 HydrophobicContact CB-CB 4.25Å; L121-E126 HydrophobicContact CD2-CB 4.23Å; Q122-E126 PolarHBondContact N-OE2 3.2Å; N123-E126 WeakPolarHBondContact O-CB 3.19Å; N123-E126 PolarHBondContact O-N 3.5Å; N123-E126 VanDerWaalsContact O-N 3.15Å; N123-E126 PolarHBondContact OD1-N 3.46Å; E126-T130 VanDerWaalsContact O-CB 3.22Å; E126-T130 WeakPolarHBondContact O-CB 3.22Å; E126-T130 PolarHBondContact O-N 3.36Å; E126-T130 PolarHBondContact O-OG1 2.84Å; E126-W154 HydrophobicContact CB-CH2 3.81Å; E126-W154 HydrophobicContact CB-CZ3 4.31Å; E126-W154 HydrophobicContact CG-CH2 3.6Å; E126-W154 HydrophobicContact CG-CZ3 4.01Å; E126-R155 VanDerWaalsContact CD-NH2 3.34Å; E126-R155 IonicContact OE1-CZ 3.41Å; E126-R155 IonicContact OE1-NE 2.86Å; E126-R155 PolarHBondContact OE1-NE 3.38Å; E126-R155 IonicContact OE1-NH2 3.24Å; E126-R155 PolarHBondContact OE1-NH2 2.91Å; E126-R155 IonicContact OE2-CZ 3.63Å; E126-R155 IonicContact OE2-NE 3.73Å; E126-R155 IonicContact OE2-NH2 2.71Å; E126-R155 PolarHBondContact OE2-NH2 3.45Å; E126-F163 HydrophobicContact CB-CZ 4.5Å; E126-F163 HydrophobicContact CG-CE1 3.89Å; E126-F163 HydrophobicContact CG-CZ 3.55Å
127V85.6Confident83.6Confident3 Ų332.3 Ų32.32%0.01817%0.173CC..Hα-helixtrans-63.3-52.1174.1177.30000111.5L121 N123 E124 M125 S129 T130 L131 V216 P217 V220L121-V127 HydrophobicContact CB-CG2 3.95Å; L121-V127 HydrophobicContact CD1-CB 4.49Å; L121-V127 HydrophobicContact CD1-CG2 3.92Å; N123-V127 PolarHBondContact O-N 3.48Å; N123-V127 VanDerWaalsContact O-N 3.15Å; E124-V127 PolarHBondContact O-N 2.8Å; M125-V127 VanDerWaalsContact C-N 3.34Å; V127-S129 VanDerWaalsContact C-N 3.34Å; V127-S129 PolarHBondContact O-N 3.28Å; V127-T130 PolarHBondContact O-N 3.36Å; V127-L131 HydrophobicContact CG1-CD1 3.81Å; V127-L131 HydrophobicContact CG1-CG 4.27Å; V127-L131 WeakPolarHBondContact O-CG 3.24Å; V127-L131 PolarHBondContact O-N 2.84Å; V127-V216 HydrophobicContact CB-CG1 4.2Å; V127-V216 HydrophobicContact CG1-CG1 3.89Å; V127-P217 VanDerWaalsContact CG1-O 3.22Å; V127-P217 WeakPolarHBondContact CG1-O 3.42Å; V127-V220 HydrophobicContact CG1-CB 4.42Å; V127-V220 HydrophobicContact CG1-CG2 3.42Å; V127-V220 VanDerWaalsContact CG1-CG2 3.42Å
128L87.8Confident84.1Confident0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-51.8-53.3175.916964.2000111.3E124 M125 T130 L131 V132 A192 V194 I211 L213 V216 F232E124-L128 VanDerWaalsContact O-CB 3.29Å; E124-L128 WeakPolarHBondContact O-CB 3.33Å; E124-L128 PolarHBondContact O-N 2.89Å; M125-L128 HydrophobicContact CE-CD2 4.13Å; M125-L128 HydrophobicContact SD-CD2 3.8Å; L128-T130 VanDerWaalsContact C-N 3.31Å; L128-T130 PolarHBondContact O-N 3.45Å; L128-L131 PolarHBondContact O-N 3.4Å; L128-V132 HydrophobicContact CD1-CG2 3.96Å; L128-V132 HydrophobicContact CG-CG2 4.46Å; L128-V132 WeakPolarHBondContact O-CB 3.38Å; L128-V132 VanDerWaalsContact O-CG2 3.26Å; L128-V132 WeakPolarHBondContact O-CG2 3.21Å; L128-V132 PolarHBondContact O-N 2.74Å; L128-A192 HydrophobicContact CD2-CB 3.26Å; L128-V194 HydrophobicContact CD1-CG2 4.35Å; L128-I211 HydrophobicContact CD1-CD1 3.89Å; L128-I211 HydrophobicContact CD1-CG2 4.38Å; L128-L213 HydrophobicContact CD2-CD2 4.32Å; L128-V216 HydrophobicContact CB-CG1 4.1Å; L128-V216 HydrophobicContact CB-CG2 4.24Å; L128-V216 HydrophobicContact CD1-CG2 4.21Å; L128-F232 HydrophobicContact CD1-CE1 4.31Å; L128-F232 HydrophobicContact CD1-CZ 3.65Å
129S87.1Confident84.5Confident0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-64.5-37.9-175.1-56.60000111.5M125 V127 Y133 F163 F165M125-S129 WeakPolarHBondContact O-CB 3.41Å; M125-S129 PolarHBondContact O-N 3.48Å; M125-S129 PolarHBondContact O-OG 2.88Å; V127-S129 VanDerWaalsContact C-N 3.34Å; V127-S129 PolarHBondContact O-N 3.28Å; S129-Y133 WeakPolarHBondContact O-CB 3.45Å; S129-Y133 PolarHBondContact O-N 3.16Å; S129-F163 VanDerWaalsContact OG-CB 3.26Å; S129-F163 WeakPolarHBondContact OG-CB 3.37Å; S129-F163 WeakPolarHBondContact OG-CD2 3.34Å; S129-F163 WeakPolarHBondContact OG-CG 3.44Å; S129-F165 WeakPolarHBondContact O-CE2 3.35Å
130T87.9Confident85Confident0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-65.2-45.9174.5-61.60000112M116 P117 L121 E126 V127 L128 Y133 V134 I150M116-T130 HydrophobicContact CE-CG2 4.22Å; M116-T130 HydrophobicContact SD-CG2 3.34Å; M116-T130 WeakPolarHBondContact SD-CG2 3.45Å; P117-T130 HydrophobicContact CG-CG2 4.37Å; L121-T130 HydrophobicContact CD1-CG2 4.25Å; E126-T130 VanDerWaalsContact O-CB 3.22Å; E126-T130 WeakPolarHBondContact O-CB 3.22Å; E126-T130 PolarHBondContact O-N 3.36Å; E126-T130 PolarHBondContact O-OG1 2.84Å; V127-T130 PolarHBondContact O-N 3.36Å; L128-T130 VanDerWaalsContact C-N 3.31Å; L128-T130 PolarHBondContact O-N 3.45Å; T130-Y133 PolarHBondContact O-N 3.18Å; T130-V134 WeakPolarHBondContact O-CG2 3.34Å; T130-V134 PolarHBondContact O-N 3.07Å; T130-I150 HydrophobicContact CG2-CD1 3.82Å
131L89.8Confident85.5Confident0 Ų022.4 Ų22.40%011%0.105CC..Hα-helixtrans-67.9-36.5178.3-67.8176.7000112.1F112 V127 L128 V134 A135 P217 V220 I229 F232 L233F112-L131 HydrophobicContact CD2-CD2 4.49Å; F112-L131 HydrophobicContact CE2-CD2 4.08Å; V127-L131 HydrophobicContact CG1-CD1 3.81Å; V127-L131 HydrophobicContact CG1-CG 4.27Å; V127-L131 WeakPolarHBondContact O-CG 3.24Å; V127-L131 PolarHBondContact O-N 2.84Å; L128-L131 PolarHBondContact O-N 3.4Å; L131-V134 PolarHBondContact O-N 3.08Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.41Å; L131-P217 HydrophobicContact CD1-CG 3.86Å; L131-V220 HydrophobicContact CD1-CG2 4.23Å; L131-V220 HydrophobicContact CD2-CG1 4.42Å; L131-V220 HydrophobicContact CD2-CG2 4.42Å; L131-I229 HydrophobicContact CD2-CG2 3.9Å; L131-F232 HydrophobicContact CB-CD1 3.9Å; L131-F232 HydrophobicContact CB-CE1 3.73Å; L131-F232 HydrophobicContact CD1-CD1 3.6Å; L131-F232 HydrophobicContact CD1-CE1 3.88Å; L131-F232 HydrophobicContact CD1-CG 4.33Å; L131-F232 HydrophobicContact CG-CD1 4.37Å; L131-F232 HydrophobicContact CG-CE1 4.48Å; L131-L233 HydrophobicContact CB-CD2 4.22Å; L131-L233 HydrophobicContact CD2-CD2 4.26Å; L131-L233 WeakPolarHBondContact O-CD2 3.16Å
132V90.6Very high85.8Confident0 Ų024 Ų240%011%0.109CC..Hα-helixtrans-60.2-49.4170.8167.80000110.5L128 V134 A135 F136 I178 V194 V236L128-V132 HydrophobicContact CD1-CG2 3.96Å; L128-V132 HydrophobicContact CG-CG2 4.46Å; L128-V132 WeakPolarHBondContact O-CB 3.38Å; L128-V132 VanDerWaalsContact O-CG2 3.26Å; L128-V132 WeakPolarHBondContact O-CG2 3.21Å; L128-V132 PolarHBondContact O-N 2.74Å; V132-V134 PolarHBondContact O-N 2.84Å; V132-A135 WeakPolarHBondContact O-CB 3.35Å; V132-A135 PolarHBondContact O-N 3.18Å; V132-F136 HydrophobicContact CG1-CD2 4.16Å; V132-F136 HydrophobicContact CG1-CE2 4.05Å; V132-F136 WeakPolarHBondContact O-CD2 3.23Å; V132-F136 PolarHBondContact O-N 3.48Å; V132-I178 HydrophobicContact CG1-CG2 3.92Å; V132-V194 HydrophobicContact CG1-CG1 3.7Å; V132-V194 HydrophobicContact CG2-CG1 4.09Å; V132-V194 HydrophobicContact CG2-CG2 3.86Å; V132-V236 HydrophobicContact CG2-CG1 4.11Å
133Y90Very high86.2Confident0 Ų017.2 Ų17.20%08%0.077CC..Hα-helixtrans-57.2-49.3176.5-179.7-87000111.4S129 T130 A135 F136 I137 N143 G149 I150 F165 L167S129-Y133 WeakPolarHBondContact O-CB 3.45Å; S129-Y133 PolarHBondContact O-N 3.16Å; T130-Y133 PolarHBondContact O-N 3.18Å; Y133-A135 VanDerWaalsContact C-N 3.28Å; Y133-A135 PolarHBondContact O-N 3.04Å; Y133-F136 PolarHBondContact O-N 3.03Å; Y133-I137 HydrophobicContact CD1-CG1 3.71Å; Y133-I137 HydrophobicContact CE1-CD1 3.85Å; Y133-I137 HydrophobicContact CE1-CG1 3.28Å; Y133-I137 HydrophobicContact CE2-CD1 4.37Å; Y133-I137 HydrophobicContact CE2-CG1 4.49Å; Y133-I137 HydrophobicContact CG-CG1 4.46Å; Y133-I137 WeakPolarHBondContact O-CG1 3.45Å; Y133-I137 PolarHBondContact O-N 3.03Å; Y133-N143 WeakPolarHBondContact CE2-OD1 3.45Å; Y133-N143 PolarHBondContact OH-ND2 3.11Å; Y133-N143 PolarHBondContact OH-OD1 3.38Å; Y133-G149 PolarHBondContact OH-N 2.87Å; Y133-G149 PolarHBondContact OH-O 3.38Å; Y133-I150 HydrophobicContact CD1-CD1 4.01Å; Y133-I150 HydrophobicContact CD1-CG1 3.31Å; Y133-I150 HydrophobicContact CD2-CG1 4.06Å; Y133-I150 HydrophobicContact CE1-CB 4.46Å; Y133-I150 HydrophobicContact CE1-CG1 3.57Å; Y133-I150 HydrophobicContact CE2-CG1 4.28Å; Y133-I150 HydrophobicContact CG-CD1 4.1Å; Y133-I150 HydrophobicContact CG-CG1 3.6Å; Y133-F165 HydrophobicContact CD2-CB 4.39Å; Y133-F165 AromaticContact CD2-CD1 3.89Å; Y133-F165 HydrophobicContact CD2-CD1 3.89Å; Y133-F165 HydrophobicContact CD2-CD2 4.35Å; Y133-F165 HydrophobicContact CD2-CE1 4.25Å; Y133-F165 AromaticContact CD2-CG 3.95Å; Y133-F165 HydrophobicContact CD2-CG 3.95Å; Y133-F165 HydrophobicContact CE2-CD1 4.43Å; Y133-L167 HydrophobicContact CD2-CD2 4.19Å; Y133-L167 HydrophobicContact CE2-CD2 3.68Å
134V89.3Confident86.6Confident0 Ų017.5 Ų17.50%08%0.083CC..Hα-helixtrans-57.2-39176.21680000112.1A111 F112 M116 T130 L131 V132 F136 I137 A138 L233A111-V134 HydrophobicContact CB-CG1 4.17Å; F112-V134 HydrophobicContact CB-CG1 4.12Å; F112-V134 HydrophobicContact CD2-CG1 4.31Å; M116-V134 HydrophobicContact CG-CG2 4.49Å; T130-V134 WeakPolarHBondContact O-CG2 3.34Å; T130-V134 PolarHBondContact O-N 3.07Å; L131-V134 PolarHBondContact O-N 3.08Å; V132-V134 PolarHBondContact O-N 2.84Å; V134-F136 VanDerWaalsContact C-N 3.34Å; V134-F136 PolarHBondContact O-N 3.34Å; V134-I137 PolarHBondContact O-N 3.4Å; V134-A138 WeakPolarHBondContact O-CB 3.26Å; V134-A138 PolarHBondContact O-N 3.47Å; V134-L233 HydrophobicContact CB-CD2 4.31Å; V134-L233 HydrophobicContact CG1-CD1 4.27Å; V134-L233 HydrophobicContact CG1-CD2 4.03Å
135A89.7Confident86.8Confident0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-64-35.9176.900000112.8L131 V132 Y133 Q139 L233 V236 V241L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.41Å; V132-A135 WeakPolarHBondContact O-CB 3.35Å; V132-A135 PolarHBondContact O-N 3.18Å; Y133-A135 VanDerWaalsContact C-N 3.28Å; Y133-A135 PolarHBondContact O-N 3.04Å; A135-Q139 PolarHBondContact O-N 3.07Å; A135-L233 HydrophobicContact CB-CD2 4.05Å; A135-V236 HydrophobicContact CB-CB 4.35Å; A135-V236 HydrophobicContact CB-CG1 3.93Å; A135-V241 HydrophobicContact CB-CG2 3.91Å
136F90.1Very high86.8Confident0 Ų023.2 Ų23.20%012%0.116CC..Hα-helixtrans-72.1-42171.9-80.9-82.5000112.5V132 Y133 V134 A138 Q139 R140 F141 L167 I178 A196 L240 V241 V244V132-F136 HydrophobicContact CG1-CD2 4.16Å; V132-F136 HydrophobicContact CG1-CE2 4.05Å; V132-F136 WeakPolarHBondContact O-CD2 3.23Å; V132-F136 PolarHBondContact O-N 3.48Å; Y133-F136 PolarHBondContact O-N 3.03Å; V134-F136 VanDerWaalsContact C-N 3.34Å; V134-F136 PolarHBondContact O-N 3.34Å; F136-A138 VanDerWaalsContact C-N 3.25Å; F136-A138 PolarHBondContact O-N 3.22Å; F136-Q139 CarbonylContact O-C 3.51Å; F136-Q139 WeakPolarHBondContact O-CA 3.27Å; F136-Q139 PolarHBondContact O-N 2.9Å; F136-R140 PolarHBondContact O-N 2.76Å; F136-F141 HydrophobicContact CB-CB 4.1Å; F136-F141 HydrophobicContact CB-CD2 4.33Å; F136-F141 HydrophobicContact CB-CG 4.25Å; F136-F141 HydrophobicContact CD1-CD1 4.04Å; F136-F141 AromaticContact CD1-CD2 3.83Å; F136-F141 HydrophobicContact CD1-CD2 3.83Å; F136-F141 HydrophobicContact CD1-CE1 4.05Å; F136-F141 AromaticContact CD1-CE2 3.84Å; F136-F141 HydrophobicContact CD1-CE2 3.84Å; F136-F141 AromaticContact CD1-CG 3.92Å; F136-F141 HydrophobicContact CD1-CG 3.92Å; F136-F141 AromaticContact CD1-CZ 3.94Å; F136-F141 HydrophobicContact CD1-CZ 3.94Å; F136-F141 HydrophobicContact CE1-CE1 4.33Å; F136-F141 HydrophobicContact CE1-CE2 4.42Å; F136-F141 HydrophobicContact CE1-CZ 4.16Å; F136-F141 WeakPolarHBondContact O-CB 3.26Å; F136-F141 WeakPolarHBondContact O-CD2 3.38Å; F136-F141 PolarHBondContact O-N 3.12Å; F136-F141 VanDerWaalsContact O-N 3.12Å; F136-L167 HydrophobicContact CB-CD1 3.46Å; F136-L167 VanDerWaalsContact CB-CD1 3.46Å; F136-L167 HydrophobicContact CD1-CD1 4.2Å; F136-L167 HydrophobicContact CD2-CD1 4.1Å; F136-L167 HydrophobicContact CG-CD1 3.68Å; F136-I178 HydrophobicContact CD2-CD1 4.5Å; F136-I178 HydrophobicContact CD2-CG1 4.35Å; F136-I178 HydrophobicContact CE1-CD1 3.89Å; F136-I178 HydrophobicContact CE2-CD1 3.77Å; F136-I178 HydrophobicContact CE2-CG1 3.99Å; F136-I178 HydrophobicContact CE2-CG2 4Å; F136-I178 HydrophobicContact CZ-CD1 3.43Å; F136-I178 VanDerWaalsContact CZ-CD1 3.43Å; F136-I178 HydrophobicContact CZ-CG1 4.14Å; F136-A196 HydrophobicContact CZ-CB 4.38Å; F136-L240 HydrophobicContact CE2-CD2 3.93Å; F136-L240 HydrophobicContact CZ-CD2 3.96Å; F136-L240 HydrophobicContact CZ-CG 4.17Å; F136-V241 HydrophobicContact CD1-CB 4.48Å; F136-V241 HydrophobicContact CD1-CG1 3.86Å; F136-V241 HydrophobicContact CD1-CG2 4.19Å; F136-V241 HydrophobicContact CD2-CG2 3.96Å; F136-V241 HydrophobicContact CE1-CB 4.42Å; F136-V241 HydrophobicContact CE1-CG1 4.17Å; F136-V241 HydrophobicContact CE1-CG2 4.2Å; F136-V241 HydrophobicContact CE2-CG2 3.97Å; F136-V241 HydrophobicContact CG-CG1 4.28Å; F136-V241 HydrophobicContact CG-CG2 4.05Å; F136-V241 HydrophobicContact CZ-CG2 4.09Å; F136-V244 HydrophobicContact CE1-CB 4.25Å; F136-V244 HydrophobicContact CE1-CG1 4.22Å; F136-V244 HydrophobicContact CE1-CG2 4.34Å; F136-V244 HydrophobicContact CZ-CG2 4.35Å
137I87.3Confident86.6Confident8 Ų824.7 Ų24.74%0.04113%0.127CC..Hα-helixtrans-62.8-33.2176.3-63.6-50000111.9A111 Y133 V134 R140 F141 V148 L167A111-I137 HydrophobicContact CB-CB 4.24Å; A111-I137 HydrophobicContact CB-CG2 3.91Å; Y133-I137 HydrophobicContact CD1-CG1 3.71Å; Y133-I137 HydrophobicContact CE1-CD1 3.85Å; Y133-I137 HydrophobicContact CE1-CG1 3.28Å; Y133-I137 HydrophobicContact CE2-CD1 4.37Å; Y133-I137 HydrophobicContact CE2-CG1 4.49Å; Y133-I137 HydrophobicContact CG-CG1 4.46Å; Y133-I137 WeakPolarHBondContact O-CG1 3.45Å; Y133-I137 PolarHBondContact O-N 3.03Å; V134-I137 PolarHBondContact O-N 3.4Å; I137-R140 WeakPolarHBondContact O-CA 3.44Å; I137-R140 PolarHBondContact O-N 3.26Å; I137-F141 WeakPolarHBondContact CD1-O 3.38Å; I137-V148 HydrophobicContact CG2-CG1 3.89Å; I137-L167 HydrophobicContact CD1-CD2 4.47Å
138A84.4Confident86.4Confident4 Ų427.2 Ų27.23%0.03314%0.143CC..Hα-helixtrans-59.5-46.1171.100000110.9T107 F108 A111 V134 F136 R140T107-A138 HydrophobicContact CG2-CB 4.04Å; T107-A138 WeakPolarHBondContact CG2-O 3.46Å; F108-A138 HydrophobicContact CD1-CB 3.46Å; F108-A138 VanDerWaalsContact CD1-CB 3.46Å; F108-A138 HydrophobicContact CE1-CB 3.68Å; F108-A138 HydrophobicContact CG-CB 4.44Å; A111-A138 HydrophobicContact CB-CB 3.81Å; V134-A138 WeakPolarHBondContact O-CB 3.26Å; V134-A138 PolarHBondContact O-N 3.47Å; F136-A138 VanDerWaalsContact C-N 3.25Å; F136-A138 PolarHBondContact O-N 3.22Å; A138-R140 PolarHBondContact O-N 3.06Å
139Q81.7Confident86Confident35 Ų3528 Ų2816%0.16415%0.151CC..THydrogen-bonded Turntrans-75.422.3170.9-160.654.42100113.7A135 F136 F141 Y237 V241 Y245A135-Q139 PolarHBondContact O-N 3.07Å; F136-Q139 CarbonylContact O-C 3.51Å; F136-Q139 WeakPolarHBondContact O-CA 3.27Å; F136-Q139 PolarHBondContact O-N 2.9Å; Q139-F141 HydrophobicContact CB-CD2 4.12Å; Q139-F141 HydrophobicContact CB-CE2 4.19Å; Q139-F141 HydrophobicContact CG-CD2 4.48Å; Q139-F141 HydrophobicContact CG-CE2 4.14Å; Q139-F141 PolarHBondContact O-N 2.86Å; Q139-F141 VanDerWaalsContact O-N 3.16Å; Q139-Y237 HydrophobicContact CB-CE2 4.12Å; Q139-Y237 HydrophobicContact CG-CE2 4.23Å; Q139-Y237 PolarHBondContact OE1-OH 2.96Å; Q139-V241 HydrophobicContact CB-CG1 3.57Å; Q139-V241 HydrophobicContact CG-CG1 4.06Å; Q139-Y245 HydrophobicContact CG-CD1 4.49Å; Q139-Y245 HydrophobicContact CG-CD2 3.54Å; Q139-Y245 HydrophobicContact CG-CE2 4.16Å; Q139-Y245 HydrophobicContact CG-CG 3.75Å
140R81.3Confident85.7Confident75 Ų7528.9 Ų28.928%0.28316%0.155SC..THydrogen-bonded Turntrans62.414.8174.1-57.2177169.4-124.3-0.4116.2F136 I137 A138 P170 S265F136-R140 PolarHBondContact O-N 2.76Å; I137-R140 WeakPolarHBondContact O-CA 3.44Å; I137-R140 PolarHBondContact O-N 3.26Å; A138-R140 PolarHBondContact O-N 3.06Å; R140-P170 HydrophobicContact CB-CB 4.15Å; R140-P170 HydrophobicContact CB-CG 4.23Å; R140-P170 WeakPolarHBondContact O-CB 3.34Å; R140-S265 VanDerWaalsContact CZ-OG 3.23Å; R140-S265 PolarHBondContact NH1-O 2.78Å; R140-S265 VanDerWaalsContact NH2-C 3.28Å; R140-S265 PolarHBondContact NH2-O 3.08Å; R140-S265 PolarHBondContact NH2-OG 2.89Å
141F86.8Confident85.3Confident0 Ų030.9 Ų30.90%017%0.168CC..  trans-57.5156.8165.4-72-109.9000109.9F136 I137 Q139 L167 K168 H169 F176 V241 V244 Y245F136-F141 HydrophobicContact CB-CB 4.1Å; F136-F141 HydrophobicContact CB-CD2 4.33Å; F136-F141 HydrophobicContact CB-CG 4.25Å; F136-F141 HydrophobicContact CD1-CD1 4.04Å; F136-F141 AromaticContact CD1-CD2 3.83Å; F136-F141 HydrophobicContact CD1-CD2 3.83Å; F136-F141 HydrophobicContact CD1-CE1 4.05Å; F136-F141 AromaticContact CD1-CE2 3.84Å; F136-F141 HydrophobicContact CD1-CE2 3.84Å; F136-F141 AromaticContact CD1-CG 3.92Å; F136-F141 HydrophobicContact CD1-CG 3.92Å; F136-F141 AromaticContact CD1-CZ 3.94Å; F136-F141 HydrophobicContact CD1-CZ 3.94Å; F136-F141 HydrophobicContact CE1-CE1 4.33Å; F136-F141 HydrophobicContact CE1-CE2 4.42Å; F136-F141 HydrophobicContact CE1-CZ 4.16Å; F136-F141 WeakPolarHBondContact O-CB 3.26Å; F136-F141 WeakPolarHBondContact O-CD2 3.38Å; F136-F141 PolarHBondContact O-N 3.12Å; F136-F141 VanDerWaalsContact O-N 3.12Å; I137-F141 WeakPolarHBondContact CD1-O 3.38Å; Q139-F141 HydrophobicContact CB-CD2 4.12Å; Q139-F141 HydrophobicContact CB-CE2 4.19Å; Q139-F141 HydrophobicContact CG-CD2 4.48Å; Q139-F141 HydrophobicContact CG-CE2 4.14Å; Q139-F141 PolarHBondContact O-N 2.86Å; Q139-F141 VanDerWaalsContact O-N 3.16Å; F141-L167 HydrophobicContact CB-CB 4.32Å; F141-L167 HydrophobicContact CB-CD1 4.39Å; F141-L167 HydrophobicContact CD1-CB 4.11Å; F141-K168 WeakPolarHBondContact CA-O 3.23Å; F141-H169 HydrophobicContact CE1-CB 4.07Å; F141-H169 AromaticContact CE1-CD2 3.67Å; F141-H169 AromaticContact CZ-CD2 3.45Å; F141-H169 VanDerWaalsContact CZ-CD2 3.45Å; F141-H169 WeakPolarHBondContact CZ-CD2 3.46Å; F141-F176 HydrophobicContact CE1-CD2 4.08Å; F141-V241 HydrophobicContact CE2-CG1 4.3Å; F141-V244 HydrophobicContact CE1-CG1 4.41Å; F141-V244 HydrophobicContact CZ-CG1 4.14Å; F141-Y245 HydrophobicContact CE2-CD2 4.07Å
142R87.4Confident84.5Confident71 Ų7136.5 Ų36.527%0.26821%0.207SC..BIsolated β-bridgetrans-134.4164.2-179.3-65.9-65.6175.8-110.115110.8S147 V148 L167 K168R142-S147 WeakPolarHBondContact CD-O 3.44Å; R142-V148 VanDerWaalsContact CZ-CG2 3.45Å; R142-L167 CarbonylContact O-C 3.57Å; R142-L167 VanDerWaalsContact O-CA 3.3Å; R142-L167 WeakPolarHBondContact O-CA 3.09Å; R142-L167 WeakPolarHBondContact O-CD2 3.37Å; R142-K168 PolarHBondContact N-O 3.26Å; R142-K168 VanDerWaalsContact N-O 3.16Å; R142-K168 PolarHBondContact O-N 3.36Å
143N88Confident83.6Confident4 Ų439.8 Ų39.82%0.02123%0.225CC..  trans-65.5168.1165.2-65.7-22.1000110.1Y133 D145 D146 S147 G149Y133-N143 WeakPolarHBondContact CE2-OD1 3.45Å; Y133-N143 PolarHBondContact OH-ND2 3.11Å; Y133-N143 PolarHBondContact OH-OD1 3.38Å; N143-D145 WeakPolarHBondContact CB-OD1 3.06Å; N143-D145 PolarHBondContact O-N 3.15Å; N143-D146 PolarHBondContact O-N 3.43Å; N143-S147 WeakPolarHBondContact CB-OG 3.33Å; N143-S147 PolarHBondContact N-O 3.15Å; N143-S147 PolarHBondContact ND2-OG 2.88Å; N143-G149 PolarHBondContact ND2-O 3.37Å
144P86.2Confident82.9Confident67 Ų6740.2 Ų40.244%0.43523%0.227SC..THydrogen-bonded Turntrans-57.9-32.7-178.1-24.835.3000114.3D146 I166 M175P144-D146 VanDerWaalsContact C-N 3.26Å; P144-D146 PolarHBondContact O-N 2.86Å; P144-I166 HydrophobicContact CG-CB 4.33Å; P144-I166 HydrophobicContact CG-CG2 4.13Å; P144-M175 HydrophobicContact CB-CE 3.57Å; P144-M175 HydrophobicContact CG-CE 3.7Å
145D85.2Confident81.9Confident113 Ų11343.8 Ų43.860%0.60424%0.24SC*.THydrogen-bonded Turntrans-83.911.8177.566.8-21.8000113.8N143 S147N143-D145 WeakPolarHBondContact CB-OD1 3.06Å; N143-D145 PolarHBondContact O-N 3.15Å; D145-S147 PolarHBondContact O-N 2.64Å; D145-S147 WeakPolarHBondContact OD1-CB 3.24Å; D145-S147 PolarHBondContact OD1-N 3.11Å; D145-S147 VanDerWaalsContact OD1-N 3.12Å; D145-S147 PolarHBondContact OD1-OG 3.3Å; D145-S147 VanDerWaalsContact OD2-CB 3.32Å; D145-S147 WeakPolarHBondContact OD2-CB 3.31Å; D145-S147 PolarHBondContact OD2-OG 3.48Å
146D81.7Confident80.9Confident96 Ų9650.6 Ų50.651%0.51328%0.277SS..SBendtrans62.39-173.2-66.2-50000115.4N143 P144 K168N143-D146 PolarHBondContact O-N 3.43Å; P144-D146 VanDerWaalsContact C-N 3.26Å; P144-D146 PolarHBondContact O-N 2.86Å; D146-K168 WeakPolarHBondContact OD1-CD 3.45Å; D146-K168 WeakPolarHBondContact OD1-CE 3.37Å; D146-K168 IonicContact OD1-NZ 3.82Å; D146-K168 PolarHBondContact OD1-NZ 2.89Å; D146-K168 IonicContact OD2-NZ 3.48Å; D146-K168 PolarHBondContact OD2-NZ 3.46Å
147S81.7Confident79.4Confident42 Ų4255.5 Ų55.529%0.29430%0.302SS..  trans-70.7164177.370.50000113.3R142 N143 D145R142-S147 WeakPolarHBondContact CD-O 3.44Å; N143-S147 WeakPolarHBondContact CB-OG 3.33Å; N143-S147 PolarHBondContact N-O 3.15Å; N143-S147 PolarHBondContact ND2-OG 2.88Å; D145-S147 PolarHBondContact O-N 2.64Å; D145-S147 WeakPolarHBondContact OD1-CB 3.24Å; D145-S147 PolarHBondContact OD1-N 3.11Å; D145-S147 VanDerWaalsContact OD1-N 3.12Å; D145-S147 PolarHBondContact OD1-OG 3.3Å; D145-S147 VanDerWaalsContact OD2-CB 3.32Å; D145-S147 WeakPolarHBondContact OD2-CB 3.31Å; D145-S147 PolarHBondContact OD2-OG 3.48Å
148V80.6Confident78Confident57 Ų5756 Ų5635%0.34531%0.307SS..  trans-123.4127.7176-175.20000108.6D114 I137 R142D114-V148 HydrophobicContact CB-CG1 3.75Å; I137-V148 HydrophobicContact CG2-CG1 3.89Å; R142-V148 VanDerWaalsContact CZ-CG2 3.45Å
149G80.2Confident76.9Confident16 Ų1659.4 Ų59.417%0.16533%0.33CS..SBendtrans124.5140.6-175.300000110.3Y133 N143 P151Y133-G149 PolarHBondContact OH-N 2.87Å; Y133-G149 PolarHBondContact OH-O 3.38Å; N143-G149 PolarHBondContact ND2-O 3.37Å; G149-P151 WeakPolarHBondContact O-CD 3.35Å
150I80.7Confident75.9Confident18 Ų1861.8 Ų61.89%0.09236%0.356CS..  trans-56.4126.3174.6-69.3-178000108.9G115 P117 T130 Y133 S152 W154 F165G115-I150 PolarHBondContact O-N 3.11Å; P117-I150 HydrophobicContact CG-CD1 4.46Å; T130-I150 HydrophobicContact CG2-CD1 3.82Å; Y133-I150 HydrophobicContact CD1-CD1 4.01Å; Y133-I150 HydrophobicContact CD1-CG1 3.31Å; Y133-I150 HydrophobicContact CD2-CG1 4.06Å; Y133-I150 HydrophobicContact CE1-CB 4.46Å; Y133-I150 HydrophobicContact CE1-CG1 3.57Å; Y133-I150 HydrophobicContact CE2-CG1 4.28Å; Y133-I150 HydrophobicContact CG-CD1 4.1Å; Y133-I150 HydrophobicContact CG-CG1 3.6Å; I150-S152 PolarHBondContact O-N 3.07Å; I150-W154 HydrophobicContact CG2-CB 3.49Å; I150-W154 VanDerWaalsContact CG2-CB 3.49Å; I150-W154 HydrophobicContact CG2-CD2 3.66Å; I150-W154 HydrophobicContact CG2-CE3 4.32Å; I150-W154 HydrophobicContact CG2-CG 3.25Å; I150-F165 HydrophobicContact CG2-CE1 4.12Å
151P79Confident75.3Confident42 Ų4262.7 Ų62.727%0.27336%0.362SS..  trans-52.8139177.2-27.535.5000111.4G149 D153 W154G149-P151 WeakPolarHBondContact O-CD 3.35Å; P151-D153 WeakPolarHBondContact CB-OD1 3.5Å; P151-D153 PolarHBondContact O-N 3.37Å; P151-W154 VanDerWaalsContact O-CB 3.23Å; P151-W154 WeakPolarHBondContact O-CB 3.37Å; P151-W154 PolarHBondContact O-N 2.75Å
152S72.9Confident75Confident118 Ų11866.3 Ų66.383%0.82538%0.378SS*.G310 helixtrans-61.6-29.2-173.545.90000113.8I150 W154I150-S152 PolarHBondContact O-N 3.07Å; S152-W154 VanDerWaalsContact C-N 3.3Å; S152-W154 PolarHBondContact O-N 2.72Å
153D71.5Confident74.8Confident70 Ų7063.1 Ų63.137%0.37437%0.366SS..G310 helixtrans-81.53.517762.8-42.7000113.9P151 R155 D156 L157P151-D153 WeakPolarHBondContact CB-OD1 3.5Å; P151-D153 PolarHBondContact O-N 3.37Å; D153-R155 PolarHBondContact O-N 3.3Å; D153-D156 PolarHBondContact O-N 3.21Å; D153-L157 PolarHBondContact O-N 3.06Å; D153-L157 VanDerWaalsContact O-N 3.11Å; D153-L157 WeakPolarHBondContact OD2-CD1 3.45Å
154W75.1Confident74.7Confident9 Ų966.7 Ų66.73%0.03438%0.381CS..G310 helixtrans-54.5-31.1-178.873.3-68.3000114.2L121 E126 I150 P151 S152 S158 F163 F165L121-W154 HydrophobicContact CD2-CH2 3.94Å; L121-W154 HydrophobicContact CD2-CZ2 4.12Å; E126-W154 HydrophobicContact CB-CH2 3.81Å; E126-W154 HydrophobicContact CB-CZ3 4.31Å; E126-W154 HydrophobicContact CG-CH2 3.6Å; E126-W154 HydrophobicContact CG-CZ3 4.01Å; I150-W154 HydrophobicContact CG2-CB 3.49Å; I150-W154 VanDerWaalsContact CG2-CB 3.49Å; I150-W154 HydrophobicContact CG2-CD2 3.66Å; I150-W154 HydrophobicContact CG2-CE3 4.32Å; I150-W154 HydrophobicContact CG2-CG 3.25Å; P151-W154 VanDerWaalsContact O-CB 3.23Å; P151-W154 WeakPolarHBondContact O-CB 3.37Å; P151-W154 PolarHBondContact O-N 2.75Å; S152-W154 VanDerWaalsContact C-N 3.3Å; S152-W154 PolarHBondContact O-N 2.72Å; W154-S158 VanDerWaalsContact O-CB 3.24Å; W154-S158 WeakPolarHBondContact O-CB 3.05Å; W154-S158 PolarHBondContact O-N 2.75Å; W154-S158 PolarHBondContact O-OG 3.45Å; W154-F163 AromaticContact CE3-CD1 3.73Å; W154-F163 HydrophobicContact CE3-CD1 3.73Å; W154-F163 AromaticContact CE3-CE1 3.76Å; W154-F163 HydrophobicContact CE3-CE1 3.76Å; W154-F163 HydrophobicContact CH2-CE1 4.27Å; W154-F163 AromaticContact CZ3-CD1 3.64Å; W154-F163 HydrophobicContact CZ3-CD1 3.64Å; W154-F163 AromaticContact CZ3-CE1 3.36Å; W154-F163 HydrophobicContact CZ3-CE1 3.36Å; W154-F163 HydrophobicContact CZ3-CZ 4.4Å; W154-F165 HydrophobicContact CB-CE1 4.19Å; W154-F165 HydrophobicContact CE3-CE1 4.42Å; W154-F165 HydrophobicContact CE3-CZ 4.34Å
155R69.6Low74.8Confident75 Ų7564 Ų6428%0.28336%0.363SS..G310 helixtrans-71.7-36.3174.8-79.4-173168.4153.65.3112.3T120 E126 D153 L157 S158T120-R155 PolarHBondContact O-NH2 2.96Å; E126-R155 VanDerWaalsContact CD-NH2 3.34Å; E126-R155 IonicContact OE1-CZ 3.41Å; E126-R155 IonicContact OE1-NE 2.86Å; E126-R155 PolarHBondContact OE1-NE 3.38Å; E126-R155 IonicContact OE1-NH2 3.24Å; E126-R155 PolarHBondContact OE1-NH2 2.91Å; E126-R155 IonicContact OE2-CZ 3.63Å; E126-R155 IonicContact OE2-NE 3.73Å; E126-R155 IonicContact OE2-NH2 2.71Å; E126-R155 PolarHBondContact OE2-NH2 3.45Å; D153-R155 PolarHBondContact O-N 3.3Å; R155-L157 VanDerWaalsContact C-N 3.31Å; R155-S158 PolarHBondContact O-N 3.42Å
156D67.3Low75Confident142 Ų14261.5 Ų61.576%0.75935%0.348SS*.THydrogen-bonded Turntrans-73.3-29.6-179.7-53.6-44000111.3D153 S158D153-D156 PolarHBondContact O-N 3.21Å; D156-S158 PolarHBondContact O-N 3.22Å
157L58Low75.5Confident103 Ų10357 Ų5754%0.53932%0.324SS..THydrogen-bonded Turntrans-77.5-3.8171.8-63.9175.9000114.2D153 R155D153-L157 PolarHBondContact O-N 3.06Å; D153-L157 VanDerWaalsContact O-N 3.11Å; D153-L157 WeakPolarHBondContact OD2-CD1 3.45Å; R155-L157 VanDerWaalsContact C-N 3.31Å
158S59Low75.8Confident19 Ų1957.4 Ų57.413%0.13332%0.321CS..  trans-127132.4-170.1-590000111.7W154 R155 D156 F162 F163W154-S158 VanDerWaalsContact O-CB 3.24Å; W154-S158 WeakPolarHBondContact O-CB 3.05Å; W154-S158 PolarHBondContact O-N 2.75Å; W154-S158 PolarHBondContact O-OG 3.45Å; R155-S158 PolarHBondContact O-N 3.42Å; D156-S158 PolarHBondContact O-N 3.22Å; S158-F162 CarbonylContact C-O 3.48Å; S158-F162 WeakPolarHBondContact CA-O 3.28Å; S158-F162 VanDerWaalsContact CB-O 3.22Å; S158-F162 WeakPolarHBondContact CB-O 3.3Å; S158-F163 WeakPolarHBondContact OG-CA 3.29Å; S158-F163 WeakPolarHBondContact OG-CD1 3.47Å
159S61Low76.1Confident75 Ų7554.7 Ų54.752%0.52431%0.305SS..BIsolated β-bridgetrans-91.4167.7169.278.70000110.1K161 F162S159-K161 PolarHBondContact O-N 2.86Å; S159-F162 PolarHBondContact N-O 2.82Å; S159-F162 PolarHBondContact O-N 3.32Å; S159-F162 VanDerWaalsContact O-O 3.08Å; S159-F162 WeakPolarHBondContact OG-CB 3.49Å
160A60.3Low75.9Confident85 Ų8555.3 Ų55.370%0.70231%0.305SS*.THydrogen-bonded Turntrans-52.2-15.3-171.200000116.7
161K68.5Low75.6Confident94 Ų9455.2 Ų55.241%0.40931%0.306SS..THydrogen-bonded Turntrans-137.515.6174.3-61-171.6178.4-172.90114.4S159 T181 S182 I184S159-K161 PolarHBondContact O-N 2.86Å; K161-T181 WeakPolarHBondContact O-CA 3.36Å; K161-S182 PolarHBondContact O-N 3.03Å; K161-I184 HydrophobicContact CD-CG1 4.44Å
162F80.7Confident75.7Confident76 Ų7655.9 Ų55.933%0.33331%0.309SS..EExtended strand (participates in β ladder)trans-136.4117.5179174.8-85.8000109.5S158 S159 K164 T179 C180 T181S158-F162 CarbonylContact C-O 3.48Å; S158-F162 WeakPolarHBondContact CA-O 3.28Å; S158-F162 VanDerWaalsContact CB-O 3.22Å; S158-F162 WeakPolarHBondContact CB-O 3.3Å; S159-F162 PolarHBondContact N-O 2.82Å; S159-F162 PolarHBondContact O-N 3.32Å; S159-F162 VanDerWaalsContact O-O 3.08Å; S159-F162 WeakPolarHBondContact OG-CB 3.49Å; F162-K164 HydrophobicContact CE1-CB 3.82Å; F162-K164 HydrophobicContact CZ-CB 4.2Å; F162-T179 HydrophobicContact CE2-CG2 3.99Å; F162-T179 HydrophobicContact CZ-CG2 3.79Å; F162-C180 WeakPolarHBondContact CA-O 3.19Å; F162-T181 HydrophobicContact CD2-CG2 3.58Å; F162-T181 HydrophobicContact CE2-CG2 4.07Å
163F84Confident76.1Confident5 Ų551.4 Ų51.42%0.02228%0.282CS..EExtended strand (participates in β ladder)trans-118.8141.1175.3-69.3-96.4000110.3M125 E126 S129 W154 S158 T179 C180M125-F163 HydrophobicContact CB-CD2 4.18Å; M125-F163 HydrophobicContact CB-CE2 3.66Å; M125-F163 HydrophobicContact CE-CD2 4.26Å; E126-F163 HydrophobicContact CB-CZ 4.5Å; E126-F163 HydrophobicContact CG-CE1 3.89Å; E126-F163 HydrophobicContact CG-CZ 3.55Å; S129-F163 VanDerWaalsContact OG-CB 3.26Å; S129-F163 WeakPolarHBondContact OG-CB 3.37Å; S129-F163 WeakPolarHBondContact OG-CD2 3.34Å; S129-F163 WeakPolarHBondContact OG-CG 3.44Å; W154-F163 AromaticContact CE3-CD1 3.73Å; W154-F163 HydrophobicContact CE3-CD1 3.73Å; W154-F163 AromaticContact CE3-CE1 3.76Å; W154-F163 HydrophobicContact CE3-CE1 3.76Å; W154-F163 HydrophobicContact CH2-CE1 4.27Å; W154-F163 AromaticContact CZ3-CD1 3.64Å; W154-F163 HydrophobicContact CZ3-CD1 3.64Å; W154-F163 AromaticContact CZ3-CE1 3.36Å; W154-F163 HydrophobicContact CZ3-CE1 3.36Å; W154-F163 HydrophobicContact CZ3-CZ 4.4Å; S158-F163 WeakPolarHBondContact OG-CA 3.29Å; S158-F163 WeakPolarHBondContact OG-CD1 3.47Å; F163-T179 CarbonylContact O-C 3.51Å; F163-T179 WeakPolarHBondContact O-CA 3.24Å; F163-C180 HydrophobicContact CB-CB 4.29Å; F163-C180 PolarHBondContact N-O 2.9Å; F163-C180 PolarHBondContact O-N 2.79Å
164K85.5Confident76.9Confident79 Ų7950.4 Ų50.434%0.34327%0.274SS..EExtended strand (participates in β ladder)trans-133.4129.1-179-179.5-172.9171.3-1670110.9F162 I178 T179F162-K164 HydrophobicContact CE1-CB 3.82Å; F162-K164 HydrophobicContact CZ-CB 4.2Å; K164-I178 CarbonylContact C-O 3.4Å; K164-I178 WeakPolarHBondContact CA-O 3.47Å; K164-T179 HydrophobicContact CB-CG2 4.29Å; K164-T179 HydrophobicContact CG-CG2 4.16Å
165F88.2Confident77.6Confident10 Ų1051.6 Ų51.64%0.04428%0.28CS..EExtended strand (participates in β ladder)trans-120.2153.3168-52.2-71.9000110.2S129 Y133 I150 W154 L167 I178S129-F165 WeakPolarHBondContact O-CE2 3.35Å; Y133-F165 HydrophobicContact CD2-CB 4.39Å; Y133-F165 AromaticContact CD2-CD1 3.89Å; Y133-F165 HydrophobicContact CD2-CD1 3.89Å; Y133-F165 HydrophobicContact CD2-CD2 4.35Å; Y133-F165 HydrophobicContact CD2-CE1 4.25Å; Y133-F165 AromaticContact CD2-CG 3.95Å; Y133-F165 HydrophobicContact CD2-CG 3.95Å; Y133-F165 HydrophobicContact CE2-CD1 4.43Å; I150-F165 HydrophobicContact CG2-CE1 4.12Å; W154-F165 HydrophobicContact CB-CE1 4.19Å; W154-F165 HydrophobicContact CE3-CE1 4.42Å; W154-F165 HydrophobicContact CE3-CZ 4.34Å; F165-L167 HydrophobicContact CB-CG 4.47Å; F165-I178 HydrophobicContact CB-CB 4.38Å; F165-I178 PolarHBondContact N-O 2.71Å; F165-I178 PolarHBondContact O-N 3.48Å
166I90Very high78.7Confident60 Ų6048.2 Ų48.231%0.30827%0.268SS..EExtended strand (participates in β ladder)trans-118.1121.7168.1-58.7178.9000107.2P144 M175 F176 L199P144-I166 HydrophobicContact CG-CB 4.33Å; P144-I166 HydrophobicContact CG-CG2 4.13Å; I166-M175 HydrophobicContact CG2-CE 3.69Å; I166-F176 CarbonylContact C-O 3.6Å; I166-F176 WeakPolarHBondContact CA-O 2.97Å; I166-L199 HydrophobicContact CD1-CD1 4.5Å; I166-L199 HydrophobicContact CG2-CD1 3.93Å
167L91.5Very high79.8Confident1 Ų144 Ų441%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-126.4133.2-173.3-68-179000111.8Y133 F136 I137 F141 R142 F165 F176 I178Y133-L167 HydrophobicContact CD2-CD2 4.19Å; Y133-L167 HydrophobicContact CE2-CD2 3.68Å; F136-L167 HydrophobicContact CB-CD1 3.46Å; F136-L167 VanDerWaalsContact CB-CD1 3.46Å; F136-L167 HydrophobicContact CD1-CD1 4.2Å; F136-L167 HydrophobicContact CD2-CD1 4.1Å; F136-L167 HydrophobicContact CG-CD1 3.68Å; I137-L167 HydrophobicContact CD1-CD2 4.47Å; F141-L167 HydrophobicContact CB-CB 4.32Å; F141-L167 HydrophobicContact CB-CD1 4.39Å; F141-L167 HydrophobicContact CD1-CB 4.11Å; R142-L167 CarbonylContact O-C 3.57Å; R142-L167 VanDerWaalsContact O-CA 3.3Å; R142-L167 WeakPolarHBondContact O-CA 3.09Å; R142-L167 WeakPolarHBondContact O-CD2 3.37Å; F165-L167 HydrophobicContact CB-CG 4.47Å; L167-F176 PolarHBondContact N-O 3.04Å; L167-F176 PolarHBondContact O-N 3.28Å; L167-I178 HydrophobicContact CD1-CG1 3.93Å; L167-I178 HydrophobicContact CG-CG1 4.37Å
168K88.7Confident81.3Confident51 Ų5139.1 Ų39.122%0.22222%0.217CC..EExtended strand (participates in β ladder)trans-87.8128177.7-172.2173.5175.4-172.90110.3F141 R142 D146 K174 M175F141-K168 WeakPolarHBondContact CA-O 3.23Å; R142-K168 PolarHBondContact N-O 3.26Å; R142-K168 VanDerWaalsContact N-O 3.16Å; R142-K168 PolarHBondContact O-N 3.36Å; D146-K168 WeakPolarHBondContact OD1-CD 3.45Å; D146-K168 WeakPolarHBondContact OD1-CE 3.37Å; D146-K168 IonicContact OD1-NZ 3.82Å; D146-K168 PolarHBondContact OD1-NZ 2.89Å; D146-K168 IonicContact OD2-NZ 3.48Å; D146-K168 PolarHBondContact OD2-NZ 3.46Å; K168-K174 WeakPolarHBondContact CA-O 3.27Å; K168-M175 HydrophobicContact CB-CE 4.4Å; K168-M175 HydrophobicContact CB-SD 3.72Å; K168-M175 HydrophobicContact CD-SD 4.29Å; K168-M175 HydrophobicContact CG-SD 3.8Å
169H85.7Confident82.8Confident1 Ų138.6 Ų38.61%0.00521%0.213CC..  trans-73.9128.5178.8-175.2-95.7000110.7F141 V171 T172 G173 K174 F176 Y245F141-H169 HydrophobicContact CE1-CB 4.07Å; F141-H169 AromaticContact CE1-CD2 3.67Å; F141-H169 AromaticContact CZ-CD2 3.45Å; F141-H169 VanDerWaalsContact CZ-CD2 3.45Å; F141-H169 WeakPolarHBondContact CZ-CD2 3.46Å; H169-V171 VanDerWaalsContact C-N 3.26Å; H169-V171 PolarHBondContact O-N 3.28Å; H169-V171 VanDerWaalsContact O-N 3.15Å; H169-T172 PolarHBondContact ND1-N 2.91Å; H169-T172 PolarHBondContact ND1-OG1 3.29Å; H169-G173 WeakPolarHBondContact O-CA 3.5Å; H169-G173 PolarHBondContact O-N 3.25Å; H169-K174 HydrophobicContact CB-CB 4.39Å; H169-K174 WeakPolarHBondContact CB-O 3.41Å; H169-K174 PolarHBondContact N-O 2.94Å; H169-F176 HydrophobicContact CB-CD2 4.09Å; H169-F176 HydrophobicContact CB-CE2 3.76Å; H169-Y245 AromaticContact NE2-CD2 3.51Å
170P76.9Confident84.1Confident28 Ų2835 Ų3518%0.18219%0.188CC..THydrogen-bonded Turntrans-67.1-21.2-166.424.4-34.7000115.3R140 Y245R140-P170 HydrophobicContact CB-CB 4.15Å; R140-P170 HydrophobicContact CB-CG 4.23Å; R140-P170 WeakPolarHBondContact O-CB 3.34Å; P170-Y245 HydrophobicContact CG-CD2 4.4Å; P170-Y245 HydrophobicContact CG-CE2 3.92Å
171V74.6Confident85.4Confident16 Ų1632.8 Ų32.810%0.09717%0.166CC..THydrogen-bonded Turntrans-100-50-176.3-163.50000112H169 Y245 P250 L253 V270H169-V171 VanDerWaalsContact C-N 3.26Å; H169-V171 PolarHBondContact O-N 3.28Å; H169-V171 VanDerWaalsContact O-N 3.15Å; V171-Y245 HydrophobicContact CG2-CE2 4.13Å; V171-P250 HydrophobicContact CG1-CG 3.65Å; V171-L253 HydrophobicContact CG1-CD1 3.64Å; V171-L253 HydrophobicContact CG2-CD1 4.1Å; V171-V270 HydrophobicContact CG2-CB 4.4Å; V171-V270 HydrophobicContact CG2-CG1 3.7Å
172T80Confident86.1Confident57 Ų5729 Ų2935%0.3515%0.151SC..THydrogen-bonded Turntrans-91.4-18.3-173.355.40000113.3H169 K174 H248H169-T172 PolarHBondContact ND1-N 2.91Å; H169-T172 PolarHBondContact ND1-OG1 3.29Å; T172-K174 PolarHBondContact O-N 2.94Å; T172-K174 PolarHBondContact OG1-N 3.18Å; T172-H248 WeakPolarHBondContact CG2-O 3.23Å
173G82.9Confident85.7Confident24 Ų2429.4 Ų29.425%0.24716%0.157CC..  trans70.93.3-172.200000114.7H169H169-G173 WeakPolarHBondContact O-CA 3.5Å; H169-G173 PolarHBondContact O-N 3.25Å
174K86.9Confident84.4Confident48 Ų4835.6 Ų35.621%0.20919%0.189CC..  trans-59.6148.8175.1-80.3-171.5155.8-150.20111.5K168 H169 T172 F176 D198 W200K168-K174 WeakPolarHBondContact CA-O 3.27Å; H169-K174 HydrophobicContact CB-CB 4.39Å; H169-K174 WeakPolarHBondContact CB-O 3.41Å; H169-K174 PolarHBondContact N-O 2.94Å; T172-K174 PolarHBondContact O-N 2.94Å; T172-K174 PolarHBondContact OG1-N 3.18Å; K174-F176 HydrophobicContact CB-CE2 3.68Å; K174-F176 HydrophobicContact CB-CZ 4.23Å; K174-D198 WeakPolarHBondContact CD-OD2 3.3Å; K174-D198 WeakPolarHBondContact CE-OD2 3.11Å; K174-D198 IonicContact NZ-OD2 2.63Å; K174-D198 PolarHBondContact NZ-OD2 3.05Å; K174-W200 HydrophobicContact CB-CE3 4.47Å; K174-W200 HydrophobicContact CG-CD2 4.31Å; K174-W200 HydrophobicContact CG-CE3 3.66Å; K174-W200 HydrophobicContact CG-CZ3 3.85Å
175M91.2Very high83Confident35 Ų3534.6 Ų34.617%0.17220%0.195CC..EExtended strand (participates in β ladder)trans-104.5123.2-176.2-59.9-58.6-75.200110.7P144 I166 K168 L199 W200P144-M175 HydrophobicContact CB-CE 3.57Å; P144-M175 HydrophobicContact CG-CE 3.7Å; I166-M175 HydrophobicContact CG2-CE 3.69Å; K168-M175 HydrophobicContact CB-CE 4.4Å; K168-M175 HydrophobicContact CB-SD 3.72Å; K168-M175 HydrophobicContact CD-SD 4.29Å; K168-M175 HydrophobicContact CG-SD 3.8Å; M175-L199 HydrophobicContact CB-CB 4.3Å; M175-L199 HydrophobicContact CB-CD1 4.12Å; M175-L199 WeakPolarHBondContact O-CB 3.28Å; M175-L199 PolarHBondContact O-N 3.06Å; M175-W200 HydrophobicContact CG-CZ2 4.36Å
176F91.2Very high81.2Confident3 Ų340.8 Ų40.81%0.01324%0.236CC..EExtended strand (participates in β ladder)trans-109.4129.5-179.8-71.1-88.8000110.8F141 I166 L167 H169 K174 I178 E197 D198 V244 H248F141-F176 HydrophobicContact CE1-CD2 4.08Å; I166-F176 CarbonylContact C-O 3.6Å; I166-F176 WeakPolarHBondContact CA-O 2.97Å; L167-F176 PolarHBondContact N-O 3.04Å; L167-F176 PolarHBondContact O-N 3.28Å; H169-F176 HydrophobicContact CB-CD2 4.09Å; H169-F176 HydrophobicContact CB-CE2 3.76Å; K174-F176 HydrophobicContact CB-CE2 3.68Å; K174-F176 HydrophobicContact CB-CZ 4.23Å; F176-I178 HydrophobicContact CB-CD1 4.13Å; F176-E197 CarbonylContact C-O 3.6Å; F176-E197 VanDerWaalsContact CA-O 3.3Å; F176-E197 WeakPolarHBondContact CA-O 3.49Å; F176-D198 HydrophobicContact CD1-CB 4.35Å; F176-D198 HydrophobicContact CE1-CB 3.75Å; F176-D198 HydrophobicContact CZ-CB 4.22Å; F176-V244 HydrophobicContact CD1-CG1 3.73Å; F176-V244 HydrophobicContact CE1-CG1 3.83Å; F176-V244 HydrophobicContact CG-CG1 4.17Å; F176-V244 HydrophobicContact CZ-CG1 4.38Å; F176-H248 AromaticContact CE1-CD2 3.69Å; F176-H248 AromaticContact CE1-NE2 3.57Å; F176-H248 AromaticContact CZ-CD2 3.23Å; F176-H248 WeakPolarHBondContact CZ-CD2 3.34Å; F176-H248 AromaticContact CZ-CG 3.91Å; F176-H248 AromaticContact CZ-NE2 3.43Å; F176-H248 WeakPolarHBondContact CZ-NE2 3.36Å
177K90.5Very high79.4Confident54 Ų5446.1 Ų46.124%0.23526%0.257CS..EExtended strand (participates in β ladder)trans-88.5117.6167.5167.1-177.2154.9-149.10107.9T179 A196 E197 L199K177-T179 HydrophobicContact CG-CG2 4.13Å; K177-A196 WeakPolarHBondContact O-CA 3.18Å; K177-E197 HydrophobicContact CB-CB 4.43Å; K177-E197 WeakPolarHBondContact CD-OE2 3.49Å; K177-E197 VanDerWaalsContact CE-OE2 3.24Å; K177-E197 WeakPolarHBondContact CE-OE2 3.47Å; K177-E197 PolarHBondContact N-O 3.09Å; K177-E197 IonicContact NZ-OE1 3.74Å; K177-E197 IonicContact NZ-OE2 2.64Å; K177-E197 PolarHBondContact NZ-OE2 3.04Å; K177-E197 PolarHBondContact O-N 2.89Å; K177-L199 HydrophobicContact CB-CD1 4.11Å; K177-L199 HydrophobicContact CB-CD2 3.78Å; K177-L199 HydrophobicContact CB-CG 3.9Å; K177-L199 HydrophobicContact CD-CD2 4.17Å
178I91.3Very high77.8Confident1 Ų152.9 Ų52.91%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-102.7121.5173.9-48.6-53.7000107.8V132 F136 K164 F165 L167 F176 V194 Q195 A196V132-I178 HydrophobicContact CG1-CG2 3.92Å; F136-I178 HydrophobicContact CD2-CD1 4.5Å; F136-I178 HydrophobicContact CD2-CG1 4.35Å; F136-I178 HydrophobicContact CE1-CD1 3.89Å; F136-I178 HydrophobicContact CE2-CD1 3.77Å; F136-I178 HydrophobicContact CE2-CG1 3.99Å; F136-I178 HydrophobicContact CE2-CG2 4Å; F136-I178 HydrophobicContact CZ-CD1 3.43Å; F136-I178 VanDerWaalsContact CZ-CD1 3.43Å; F136-I178 HydrophobicContact CZ-CG1 4.14Å; K164-I178 CarbonylContact C-O 3.4Å; K164-I178 WeakPolarHBondContact CA-O 3.47Å; F165-I178 HydrophobicContact CB-CB 4.38Å; F165-I178 PolarHBondContact N-O 2.71Å; F165-I178 PolarHBondContact O-N 3.48Å; L167-I178 HydrophobicContact CD1-CG1 3.93Å; L167-I178 HydrophobicContact CG-CG1 4.37Å; F176-I178 HydrophobicContact CB-CD1 4.13Å; I178-V194 HydrophobicContact CG2-CG1 4.18Å; I178-Q195 CarbonylContact C-O 3.53Å; I178-Q195 VanDerWaalsContact CA-O 3.31Å; I178-Q195 WeakPolarHBondContact CA-O 3.44Å; I178-A196 HydrophobicContact CD1-CB 3.52Å
179T89.3Confident76.7Confident7 Ų757.2 Ų57.24%0.04332%0.324CS..EExtended strand (participates in β ladder)trans-120.4127.2176.443.60000111.2F162 F163 K164 K177 V194 Q195F162-T179 HydrophobicContact CE2-CG2 3.99Å; F162-T179 HydrophobicContact CZ-CG2 3.79Å; F163-T179 CarbonylContact O-C 3.51Å; F163-T179 WeakPolarHBondContact O-CA 3.24Å; K164-T179 HydrophobicContact CB-CG2 4.29Å; K164-T179 HydrophobicContact CG-CG2 4.16Å; K177-T179 HydrophobicContact CG-CG2 4.13Å; T179-V194 WeakPolarHBondContact O-CA 3.42Å; T179-Q195 PolarHBondContact N-O 3.06Å; T179-Q195 PolarHBondContact O-N 2.69Å
180C88.5Confident76.3Confident0 Ų058.2 Ų58.20%033%0.332CS..EExtended strand (participates in β ladder)trans-109119172.7-54.10000108.6M125 F162 F163 F193 V194M125-C180 HydrophobicContact CE-CB 4.27Å; F162-C180 WeakPolarHBondContact CA-O 3.19Å; F163-C180 HydrophobicContact CB-CB 4.29Å; F163-C180 PolarHBondContact N-O 2.9Å; F163-C180 PolarHBondContact O-N 2.79Å; C180-F193 WeakPolarHBondContact CA-O 3.3Å; C180-V194 HydrophobicContact CB-CG2 4.49Å
181T87.4Confident76.7Confident38 Ų3859 Ų5923%0.23334%0.336CS..EExtended strand (participates in β ladder)trans-126.3150.4179.7680000110.2K161 F162 A192 F193K161-T181 WeakPolarHBondContact O-CA 3.36Å; F162-T181 HydrophobicContact CD2-CG2 3.58Å; F162-T181 HydrophobicContact CE2-CG2 4.07Å; T181-A192 CarbonylContact O-C 3.42Å; T181-A192 WeakPolarHBondContact O-CA 3.48Å; T181-A192 WeakPolarHBondContact O-CB 3.38Å; T181-F193 PolarHBondContact N-O 3.2Å; T181-F193 PolarHBondContact O-N 3.5Å
182S82.8Confident77.2Confident14 Ų1458.2 Ų58.210%0.09833%0.332CS..EExtended strand (participates in β ladder)trans-123.9139.9170.2175.10000111.1M125 K161M125-S182 VanDerWaalsContact SD-CB 3.52Å; K161-S182 PolarHBondContact O-N 3.03Å
183N73Confident77.6Confident85 Ų8558.8 Ų58.846%0.45533%0.33SS..  trans-58.2144.8169.4-82.5-17000110.7A185 T191N183-A185 VanDerWaalsContact C-N 3.27Å; N183-A185 PolarHBondContact O-N 3.44Å; N183-T191 PolarHBondContact N-O 3.31Å
184I55.6Low78Confident136 Ų13657.7 Ų57.770%0.69732%0.318SS*.  trans-77.5-14.1-176.2-66.4171.3000112.1K161 P186K161-I184 HydrophobicContact CD-CG1 4.44Å; I184-P186 WeakPolarHBondContact O-CD 3.37Å
185A57Low78.2Confident58 Ų5859 Ų5948%0.47933%0.325SS..  trans-52.5118.2-173.300000112.9N183 K187N183-A185 VanDerWaalsContact C-N 3.27Å; N183-A185 PolarHBondContact O-N 3.44Å; A185-K187 PolarHBondContact O-N 3.39Å
186P50.2Low78.2Confident139 Ų13957.4 Ų57.490%0.90332%0.317SS*.  trans-78.635.8-177.333.9-37.7000113I184I184-P186 WeakPolarHBondContact O-CD 3.37Å
187K51.6Low78.2Confident172 Ų17260 Ų6075%0.74833%0.329SS*.SBendtrans-102.2152.5177.5-71.4-171176.3-176.90110.2A185 N189 A190A185-K187 PolarHBondContact O-N 3.39Å; K187-N189 PolarHBondContact O-N 2.98Å; K187-A190 PolarHBondContact O-N 3.01Å
188V58.7Low78.1Confident144 Ų14457.8 Ų57.887%0.87332%0.32SS*.SBendtrans-51.8-23.4-177.2-172.60000113.9
189N64.7Low77.9Confident142 Ų14261.1 Ų61.176%0.75934%0.337SS*.  trans-102.949.9-179.7-59.7-6.9000112K187 T191K187-N189 PolarHBondContact O-N 2.98Å; N189-T191 PolarHBondContact O-N 3.09Å
190A77.9Confident77.6Confident21 Ų2168.5 Ų68.517%0.17437%0.365CS..  trans-63.4133.4173.200000110.6K187 L213K187-A190 PolarHBondContact O-N 3.01Å; A190-L213 HydrophobicContact CB-CB 4.43Å; A190-L213 HydrophobicContact CB-CD1 3.79Å; A190-L213 HydrophobicContact CB-CG 4.23Å; A190-L213 PolarHBondContact O-N 2.83Å
191T85Confident77.2Confident44 Ų4471.3 Ų71.327%0.2738%0.38SS..EExtended strand (participates in β ladder)trans-118.2133178.653.30000110.6N183 N189N183-T191 PolarHBondContact N-O 3.31Å; N189-T191 PolarHBondContact O-N 3.09Å
192A85.3Confident76.6Confident0 Ų075.1 Ų75.10%041%0.405CS..EExtended strand (participates in β ladder)trans-95.3150.7167.100000111.2M125 L128 T181 S210 I211 L213M125-A192 HydrophobicContact SD-CB 4.1Å; L128-A192 HydrophobicContact CD2-CB 3.26Å; T181-A192 CarbonylContact O-C 3.42Å; T181-A192 WeakPolarHBondContact O-CA 3.48Å; T181-A192 WeakPolarHBondContact O-CB 3.38Å; A192-S210 CarbonylContact O-C 3.58Å; A192-S210 WeakPolarHBondContact O-CA 3.38Å; A192-I211 PolarHBondContact N-O 3.28Å; A192-I211 PolarHBondContact O-N 2.76Å; A192-L213 HydrophobicContact CB-CD2 3.82Å
193F89.2Confident76.3Confident70 Ų7079.7 Ų79.731%0.30744%0.437SS..EExtended strand (participates in β ladder)trans-117.7125.2174-59.9-89.5000108C180 T181 V209C180-F193 WeakPolarHBondContact CA-O 3.3Å; T181-F193 PolarHBondContact N-O 3.2Å; T181-F193 PolarHBondContact O-N 3.5Å; F193-V209 WeakPolarHBondContact CA-O 3.34Å
194V90.4Very high76.5Confident0 Ų077 Ų770%043%0.426CS..EExtended strand (participates in β ladder)trans-108.9122.8172.4-173.60000107.1L128 V132 I178 T179 C180 S208 V209 I211 L240L128-V194 HydrophobicContact CD1-CG2 4.35Å; V132-V194 HydrophobicContact CG1-CG1 3.7Å; V132-V194 HydrophobicContact CG2-CG1 4.09Å; V132-V194 HydrophobicContact CG2-CG2 3.86Å; I178-V194 HydrophobicContact CG2-CG1 4.18Å; T179-V194 WeakPolarHBondContact O-CA 3.42Å; C180-V194 HydrophobicContact CB-CG2 4.49Å; V194-S208 CarbonylContact O-C 3.58Å; V194-S208 WeakPolarHBondContact O-CA 3.45Å; V194-V209 HydrophobicContact CB-CG1 3.82Å; V194-V209 HydrophobicContact CG2-CG1 4.47Å; V194-V209 PolarHBondContact N-O 2.78Å; V194-V209 PolarHBondContact O-N 2.78Å; V194-I211 HydrophobicContact CG2-CD1 3.91Å; V194-L240 HydrophobicContact CB-CD2 4.19Å; V194-L240 HydrophobicContact CG1-CD2 3.47Å; V194-L240 VanDerWaalsContact CG1-CD2 3.47Å
195Q91.4Very high77.6Confident76 Ų7678 Ų7836%0.35543%0.428SS..EExtended strand (participates in β ladder)trans-120.6144.2-178.6-62.6177-4200110I178 T179 V206 H207I178-Q195 CarbonylContact C-O 3.53Å; I178-Q195 VanDerWaalsContact CA-O 3.31Å; I178-Q195 WeakPolarHBondContact CA-O 3.44Å; T179-Q195 PolarHBondContact N-O 3.06Å; T179-Q195 PolarHBondContact O-N 2.69Å; Q195-V206 HydrophobicContact CB-CG1 4.06Å; Q195-V206 HydrophobicContact CG-CG1 4.42Å; Q195-H207 CarbonylContact C-O 3.52Å; Q195-H207 WeakPolarHBondContact CA-O 3.21Å
196A91.4Very high78.9Confident1 Ų178.2 Ų78.21%0.00842%0.423CS..EExtended strand (participates in β ladder)trans-126.4125.2173.100000109.4F136 K177 I178 H207 L240 V244F136-A196 HydrophobicContact CZ-CB 4.38Å; K177-A196 WeakPolarHBondContact O-CA 3.18Å; I178-A196 HydrophobicContact CD1-CB 3.52Å; A196-H207 HydrophobicContact CB-CB 4.42Å; A196-H207 PolarHBondContact N-O 2.68Å; A196-H207 PolarHBondContact O-N 3.41Å; A196-L240 HydrophobicContact CB-CD1 4.14Å; A196-V244 HydrophobicContact CB-CG2 3.56Å
197E90.6Very high80.7Confident58 Ų5873 Ų7327%0.27139%0.387SS..EExtended strand (participates in β ladder)trans-127130.9-173.5179-174.5173.600109.1F176 K177 L199 V206F176-E197 CarbonylContact C-O 3.6Å; F176-E197 VanDerWaalsContact CA-O 3.3Å; F176-E197 WeakPolarHBondContact CA-O 3.49Å; K177-E197 HydrophobicContact CB-CB 4.43Å; K177-E197 WeakPolarHBondContact CD-OE2 3.49Å; K177-E197 VanDerWaalsContact CE-OE2 3.24Å; K177-E197 WeakPolarHBondContact CE-OE2 3.47Å; K177-E197 PolarHBondContact N-O 3.09Å; K177-E197 IonicContact NZ-OE1 3.74Å; K177-E197 IonicContact NZ-OE2 2.64Å; K177-E197 PolarHBondContact NZ-OE2 3.04Å; K177-E197 PolarHBondContact O-N 2.89Å; E197-L199 PolarHBondContact O-N 3.36Å; E197-V206 HydrophobicContact CG-CG2 4.43Å
198D89.5Confident82.5Confident7 Ų768.2 Ų68.24%0.03738%0.375CS..EExtended strand (participates in β ladder)trans-76.9117.4173.5-172.7-15.8000109.4K174 F176 W200 D201 A204 H248K174-D198 WeakPolarHBondContact CD-OD2 3.3Å; K174-D198 WeakPolarHBondContact CE-OD2 3.11Å; K174-D198 IonicContact NZ-OD2 2.63Å; K174-D198 PolarHBondContact NZ-OD2 3.05Å; F176-D198 HydrophobicContact CD1-CB 4.35Å; F176-D198 HydrophobicContact CE1-CB 3.75Å; F176-D198 HydrophobicContact CZ-CB 4.22Å; D198-W200 PolarHBondContact O-N 2.76Å; D198-W200 PolarHBondContact OD1-N 3.02Å; D198-D201 CarbonylContact O-C 3.42Å; D198-D201 PolarHBondContact O-N 2.91Å; D198-A204 HydrophobicContact CB-CB 4.22Å; D198-H248 IonicContact OD2-CE1 2.71Å; D198-H248 IonicContact OD2-NE2 2.78Å
199L87.5Confident84.1Confident72 Ų7262.2 Ų62.238%0.37734%0.339SS..THydrogen-bonded Turntrans-73.5-11.1-178.1-70.3170.5000113.5I166 M175 K177 E197I166-L199 HydrophobicContact CD1-CD1 4.5Å; I166-L199 HydrophobicContact CG2-CD1 3.93Å; M175-L199 HydrophobicContact CB-CB 4.3Å; M175-L199 HydrophobicContact CB-CD1 4.12Å; M175-L199 WeakPolarHBondContact O-CB 3.28Å; M175-L199 PolarHBondContact O-N 3.06Å; K177-L199 HydrophobicContact CB-CD1 4.11Å; K177-L199 HydrophobicContact CB-CD2 3.78Å; K177-L199 HydrophobicContact CB-CG 3.9Å; K177-L199 HydrophobicContact CD-CD2 4.17Å; E197-L199 PolarHBondContact O-N 3.36Å
200W81.9Confident85.2Confident162 Ų16259 Ų5961%0.61433%0.327SS*.THydrogen-bonded Turntrans-97-14.1177.3-65.80.9000113.1K174 M175 D198K174-W200 HydrophobicContact CB-CE3 4.47Å; K174-W200 HydrophobicContact CG-CD2 4.31Å; K174-W200 HydrophobicContact CG-CE3 3.66Å; K174-W200 HydrophobicContact CG-CZ3 3.85Å; M175-W200 HydrophobicContact CG-CZ2 4.36Å; D198-W200 PolarHBondContact O-N 2.76Å; D198-W200 PolarHBondContact OD1-N 3.02Å
201D79.5Confident85.7Confident59 Ų5958.1 Ų58.132%0.31632%0.319SS..  trans-135.890176.4-176.8-1.8000110.1D198 S203 A204D198-D201 CarbonylContact O-C 3.42Å; D198-D201 PolarHBondContact O-N 2.91Å; D201-S203 PolarHBondContact O-N 3.41Å; D201-S203 VanDerWaalsContact O-N 3.08Å; D201-S203 WeakPolarHBondContact OD1-CA 3.36Å; D201-S203 WeakPolarHBondContact OD1-CB 2.92Å; D201-S203 PolarHBondContact OD1-N 2.74Å; D201-S203 PolarHBondContact OD1-OG 3.46Å; D201-A204 HydrophobicContact CB-CB 3.95Å; D201-A204 WeakPolarHBondContact O-CB 3.17Å; D201-A204 PolarHBondContact O-N 2.81Å; D201-A204 PolarHBondContact OD1-N 2.92Å; D201-A204 VanDerWaalsContact OD1-N 3.17Å
202P74.8Confident85.7Confident118 Ų11858.4 Ų58.477%0.76632%0.322SS*.THydrogen-bonded Turntrans-62.7-12.2176.4-21.533.5000114.1
203S77.5Confident85.5Confident110 Ų11059.1 Ų59.177%0.76933%0.326SS*.THydrogen-bonded Turntrans-94.4-6.1175.6720000113.4D201D201-S203 PolarHBondContact O-N 3.41Å; D201-S203 VanDerWaalsContact O-N 3.08Å; D201-S203 WeakPolarHBondContact OD1-CA 3.36Å; D201-S203 WeakPolarHBondContact OD1-CB 2.92Å; D201-S203 PolarHBondContact OD1-N 2.74Å; D201-S203 PolarHBondContact OD1-OG 3.46Å
204A76.4Confident85.2Confident28 Ų2859.6 Ų59.623%0.23135%0.35CS..SBendtrans-63.7152.9175.800000112.1D198 D201 V206D198-A204 HydrophobicContact CB-CB 4.22Å; D201-A204 HydrophobicContact CB-CB 3.95Å; D201-A204 WeakPolarHBondContact O-CB 3.17Å; D201-A204 PolarHBondContact O-N 2.81Å; D201-A204 PolarHBondContact OD1-N 2.92Å; D201-A204 VanDerWaalsContact OD1-N 3.17Å; A204-V206 PolarHBondContact O-N 3.25Å; A204-V206 VanDerWaalsContact O-N 3.13Å
205Q79Confident84.9Confident157 Ų15763.7 Ų63.773%0.73437%0.369SS*.  trans-65.2114.1177.8-173.7-179.927.700110.9H207Q205-H207 PolarHBondContact O-N 3.48Å; Q205-H207 VanDerWaalsContact O-N 3.1Å
206V84.7Confident84.6Confident63 Ų6360.4 Ų60.438%0.38235%0.354SS..  trans-63.8113.2170.8179.30000109.2Q195 E197 A204Q195-V206 HydrophobicContact CB-CG1 4.06Å; Q195-V206 HydrophobicContact CG-CG1 4.42Å; E197-V206 HydrophobicContact CG-CG2 4.43Å; A204-V206 PolarHBondContact O-N 3.25Å; A204-V206 VanDerWaalsContact O-N 3.13Å
207H88.2Confident84.3Confident29 Ų2961 Ų6113%0.13436%0.358CS..EExtended strand (participates in β ladder)trans-77.9124.8174.9-63.4-63.7000109.1Q195 A196 Q205 L240 V244Q195-H207 CarbonylContact C-O 3.52Å; Q195-H207 WeakPolarHBondContact CA-O 3.21Å; A196-H207 HydrophobicContact CB-CB 4.42Å; A196-H207 PolarHBondContact N-O 2.68Å; A196-H207 PolarHBondContact O-N 3.41Å; Q205-H207 PolarHBondContact O-N 3.48Å; Q205-H207 VanDerWaalsContact O-N 3.1Å; H207-L240 HydrophobicContact CB-CD1 3.82Å; H207-V244 HydrophobicContact CB-CG2 3.95Å
208S89.3Confident83.8Confident71 Ų7168.1 Ų68.150%0.49738%0.383SS..EExtended strand (participates in β ladder)trans-130.7151.8-179.561.40000113V194V194-S208 CarbonylContact O-C 3.58Å; V194-S208 WeakPolarHBondContact O-CA 3.45Å
209V91.1Very high83Confident19 Ų1975.1 Ų75.112%0.11542%0.415CS..EExtended strand (participates in β ladder)trans-139.8137.317160.70000109.5F193 V194 I211 L240F193-V209 WeakPolarHBondContact CA-O 3.34Å; V194-V209 HydrophobicContact CB-CG1 3.82Å; V194-V209 HydrophobicContact CG2-CG1 4.47Å; V194-V209 PolarHBondContact N-O 2.78Å; V194-V209 PolarHBondContact O-N 2.78Å; V209-I211 HydrophobicContact CG1-CD1 4.28Å; V209-I211 HydrophobicContact CG1-CG1 4.44Å; V209-I211 HydrophobicContact CG2-CG1 4.22Å; V209-L240 HydrophobicContact CG1-CB 3.98Å; V209-L240 HydrophobicContact CG1-CD2 4.18Å; V209-L240 HydrophobicContact CG1-CG 4.48Å
210S88.8Confident82.5Confident73 Ų7372.7 Ų72.751%0.5140%0.403SS..EExtended strand (participates in β ladder)trans-94.8135.9169.149.70000110.4A192A192-S210 CarbonylContact O-C 3.58Å; A192-S210 WeakPolarHBondContact O-CA 3.38Å
211I87.9Confident82.1Confident3 Ų370.9 Ų70.92%0.01540%0.402CS..EExtended strand (participates in β ladder)trans-131.1116.3-177.2-60.8175.3000107.5L128 A192 V194 V209 L213 V216 F232 V236L128-I211 HydrophobicContact CD1-CD1 3.89Å; L128-I211 HydrophobicContact CD1-CG2 4.38Å; A192-I211 PolarHBondContact N-O 3.28Å; A192-I211 PolarHBondContact O-N 2.76Å; V194-I211 HydrophobicContact CG2-CD1 3.91Å; V209-I211 HydrophobicContact CG1-CD1 4.28Å; V209-I211 HydrophobicContact CG1-CG1 4.44Å; V209-I211 HydrophobicContact CG2-CG1 4.22Å; I211-L213 PolarHBondContact O-N 3.06Å; I211-V216 HydrophobicContact CG2-CG2 4.11Å; I211-F232 HydrophobicContact CD1-CZ 4.25Å; I211-F232 HydrophobicContact CG2-CE2 3.8Å; I211-F232 HydrophobicContact CG2-CZ 4.1Å; I211-V236 HydrophobicContact CD1-CG2 3.93Å
212P85.9Confident81.6Confident50 Ų5074.5 Ų74.533%0.32541%0.411SS..EExtended strand (participates in β ladder)trans-61.3131.5169.3-17.329.8000110G214 E215P212-G214 PolarHBondContact O-N 3.32Å; P212-E215 HydrophobicContact CB-CG 4.21Å; P212-E215 HydrophobicContact CG-CG 4.22Å; P212-E215 WeakPolarHBondContact O-CB 3.1Å; P212-E215 PolarHBondContact O-N 2.86Å
213L80.7Confident81.4Confident16 Ų1671 Ų718%0.08440%0.397CS..G310 helixtrans-61.7-29.1179.9-70.9-173.3000112.4M125 L128 A190 A192 I211 E215 V216M125-L213 HydrophobicContact SD-CD2 4.04Å; L128-L213 HydrophobicContact CD2-CD2 4.32Å; A190-L213 HydrophobicContact CB-CB 4.43Å; A190-L213 HydrophobicContact CB-CD1 3.79Å; A190-L213 HydrophobicContact CB-CG 4.23Å; A190-L213 PolarHBondContact O-N 2.83Å; A192-L213 HydrophobicContact CB-CD2 3.82Å; I211-L213 PolarHBondContact O-N 3.06Å; L213-E215 PolarHBondContact O-N 2.77Å; L213-E215 VanDerWaalsContact O-N 3.13Å; L213-V216 HydrophobicContact CD2-CG2 4.13Å; L213-V216 WeakPolarHBondContact O-CB 3.44Å; L213-V216 PolarHBondContact O-N 2.97Å
214G81.8Confident81.4Confident79 Ų7969.7 Ų69.781%0.81438%0.384SS*.G310 helixtrans-63.6-12172.900000115.6P212P212-G214 PolarHBondContact O-N 3.32Å
215E85Confident81.6Confident86 Ų8670.4 Ų70.440%0.40238%0.383SS..G310 helixtrans-91.2-14.8170.1-63.6-178.4171.400113.3P212 L213 F232 K235P212-E215 HydrophobicContact CB-CG 4.21Å; P212-E215 HydrophobicContact CG-CG 4.22Å; P212-E215 WeakPolarHBondContact O-CB 3.1Å; P212-E215 PolarHBondContact O-N 2.86Å; L213-E215 PolarHBondContact O-N 2.77Å; L213-E215 VanDerWaalsContact O-N 3.13Å; E215-F232 WeakPolarHBondContact O-CD2 3.31Å; E215-K235 IonicContact OE1-NZ 2.68Å; E215-K235 PolarHBondContact OE1-NZ 3.02Å; E215-K235 IonicContact OE2-NZ 3.5Å; E215-K235 PolarHBondContact OE2-NZ 3.36Å
216V84.6Confident81.9Confident7 Ų764.9 Ų64.94%0.04236%0.361CS..SBendtrans-73.2130.6-179.6-177.20000108.4V127 L128 I211 L213 R218 F232V127-V216 HydrophobicContact CB-CG1 4.2Å; V127-V216 HydrophobicContact CG1-CG1 3.89Å; L128-V216 HydrophobicContact CB-CG1 4.1Å; L128-V216 HydrophobicContact CB-CG2 4.24Å; L128-V216 HydrophobicContact CD1-CG2 4.21Å; I211-V216 HydrophobicContact CG2-CG2 4.11Å; L213-V216 HydrophobicContact CD2-CG2 4.13Å; L213-V216 WeakPolarHBondContact O-CB 3.44Å; L213-V216 PolarHBondContact O-N 2.97Å; V216-R218 PolarHBondContact O-N 3.25Å; V216-F232 HydrophobicContact CB-CE2 4.43Å; V216-F232 HydrophobicContact CG2-CE2 3.93Å; V216-F232 HydrophobicContact CG2-CZ 4.13Å
217P85.3Confident81.8Confident13 Ų1367.3 Ų67.38%0.08437%0.369CS..  trans-54.5130.9172.3-26.435.4000110.9V127 L131 E219 V220 I229 F232V127-P217 VanDerWaalsContact CG1-O 3.22Å; V127-P217 WeakPolarHBondContact CG1-O 3.42Å; L131-P217 HydrophobicContact CD1-CG 3.86Å; P217-E219 PolarHBondContact O-N 3.41Å; P217-V220 HydrophobicContact CB-CG2 4.18Å; P217-I229 HydrophobicContact CB-CG1 4.14Å; P217-I229 HydrophobicContact CG-CG1 3.97Å; P217-F232 HydrophobicContact CG-CB 4.31Å; P217-F232 HydrophobicContact CG-CG 4.45Å
218R79.4Confident81.7Confident209 Ų20969.4 Ų69.479%0.78939%0.387SS*.SBendtrans-68.2-35.9-177.6-70-176.3178172.60.6113.5V216V216-R218 PolarHBondContact O-N 3.25Å
219E73.6Confident81.5Confident154 Ų15466.2 Ų66.272%0.7236%0.364SS*.  trans-133.1142-179.4-68.8-178.3-165.200109.9P217P217-E219 PolarHBondContact O-N 3.41Å
220V77.8Confident81.2Confident20 Ų2067.4 Ų67.412%0.12137%0.367CS..  trans-136.4116.7178.9178.60000108.1F112 M116 L121 V127 L131 P217 I229F112-V220 HydrophobicContact CE2-CG1 3.5Å; F112-V220 HydrophobicContact CZ-CG1 3.43Å; F112-V220 VanDerWaalsContact CZ-CG1 3.43Å; M116-V220 HydrophobicContact CE-CB 4.35Å; M116-V220 HydrophobicContact CE-CG1 3.51Å; M116-V220 HydrophobicContact SD-CG1 3.78Å; L121-V220 HydrophobicContact CD1-CB 4.29Å; V127-V220 HydrophobicContact CG1-CB 4.42Å; V127-V220 HydrophobicContact CG1-CG2 3.42Å; V127-V220 VanDerWaalsContact CG1-CG2 3.42Å; L131-V220 HydrophobicContact CD1-CG2 4.23Å; L131-V220 HydrophobicContact CD2-CG1 4.42Å; L131-V220 HydrophobicContact CD2-CG2 4.42Å; P217-V220 HydrophobicContact CB-CG2 4.18Å; V220-I229 HydrophobicContact CB-CD1 4.4Å; V220-I229 HydrophobicContact CG1-CD1 4.03Å; V220-I229 HydrophobicContact CG2-CD1 4.01Å; V220-I229 HydrophobicContact CG2-CG1 4.25Å
221Q72.3Confident81Confident125 Ų12568.4 Ų68.458%0.58437%0.37SS*.  trans-100.8132.7177.6-65.4-178.22.200109.9F112 G223 V224F112-Q221 WeakPolarHBondContact CE1-O 3.44Å; F112-Q221 WeakPolarHBondContact CZ-O 3.35Å; Q221-G223 PolarHBondContact O-N 2.77Å; Q221-V224 HydrophobicContact CB-CB 4.27Å; Q221-V224 HydrophobicContact CB-CG2 4.32Å; Q221-V224 PolarHBondContact O-N 2.78Å; Q221-V224 VanDerWaalsContact O-N 3.1Å
222R70.6Confident81.1Confident134 Ų13468.6 Ų68.651%0.50637%0.371SS..THydrogen-bonded Turntrans-58.6127.4-179.3-174.9169.3-173.8-134.4-8.5110.4R113 M116 N118 V224R113-R222 PolarHBondContact O-NE 2.85Å; R113-R222 PolarHBondContact O-NH2 2.9Å; M116-R222 HydrophobicContact CB-CB 4.39Å; M116-R222 HydrophobicContact CB-CG 3.91Å; N118-R222 PolarHBondContact OD1-NH1 2.8Å; R222-V224 VanDerWaalsContact C-N 3.33Å; R222-V224 PolarHBondContact O-N 2.55Å
223G69.7Low81.1Confident46 Ų4666.2 Ų66.247%0.47436%0.356SS..THydrogen-bonded Turntrans85.3-13.7-178.800000116.1Q221Q221-G223 PolarHBondContact O-N 2.77Å
224V77.5Confident81.4Confident82 Ų8267.4 Ų67.450%0.49737%0.365SS..  trans-101.4100176.7-1750000110.4F112 Q221 R222 S226F112-V224 WeakPolarHBondContact CE1-O 3.48Å; Q221-V224 HydrophobicContact CB-CB 4.27Å; Q221-V224 HydrophobicContact CB-CG2 4.32Å; Q221-V224 PolarHBondContact O-N 2.78Å; Q221-V224 VanDerWaalsContact O-N 3.1Å; R222-V224 VanDerWaalsContact C-N 3.33Å; R222-V224 PolarHBondContact O-N 2.55Å; V224-S226 PolarHBondContact O-N 3.14Å
225M81.2Confident81.6Confident42 Ų4267.4 Ų67.421%0.20734%0.342CS..  trans-93.389.8177.4-171.4170.871.900110.6F108 A109 F112 I229 K230F108-M225 HydrophobicContact CB-SD 3.96Å; A109-M225 HydrophobicContact CB-CE 3.87Å; A109-M225 HydrophobicContact CB-SD 4.47Å; F112-M225 HydrophobicContact CD1-CB 4.48Å; M225-I229 HydrophobicContact CG-CG2 4.14Å; M225-K230 HydrophobicContact CE-CD 4.17Å; M225-K230 HydrophobicContact CE-CG 3.91Å; M225-K230 HydrophobicContact CG-CG 3.78Å; M225-K230 HydrophobicContact SD-CG 4.04Å
226S83.9Confident81.8Confident41 Ų4163.4 Ų63.429%0.28732%0.324SS..  trans-65.5160.9174.770.80000112.1V224 S228 I229 K230V224-S226 PolarHBondContact O-N 3.14Å; S226-S228 VanDerWaalsContact C-N 3.27Å; S226-S228 PolarHBondContact O-N 3.16Å; S226-S228 PolarHBondContact OG-OG 3.31Å; S226-I229 WeakPolarHBondContact O-CB 3.34Å; S226-I229 PolarHBondContact O-N 3.41Å; S226-I229 VanDerWaalsContact O-N 3.11Å; S226-I229 WeakPolarHBondContact OG-CD1 3.36Å; S226-I229 VanDerWaalsContact OG-CG1 3.3Å; S226-I229 WeakPolarHBondContact OG-CG1 3.37Å; S226-I229 PolarHBondContact OG-N 3.13Å; S226-K230 PolarHBondContact O-N 3.49Å
227E83.4Confident81.9Confident115 Ų11563.6 Ų63.654%0.53732%0.324SS..Hα-helixtrans-62.5-34.5177.6-158.457.9-142.100112.4I229 K230 V231E227-I229 PolarHBondContact O-N 2.71Å; E227-K230 PolarHBondContact O-N 2.86Å; E227-K230 IonicContact OE1-NZ 3.94Å; E227-K230 WeakPolarHBondContact OE2-CD 3.32Å; E227-K230 VanDerWaalsContact OE2-CE 3.29Å; E227-K230 WeakPolarHBondContact OE2-CE 3.42Å; E227-K230 IonicContact OE2-NZ 3.84Å; E227-K230 PolarHBondContact OE2-NZ 2.88Å; E227-V231 WeakPolarHBondContact O-CG2 3.44Å; E227-V231 PolarHBondContact O-N 2.79Å
228S85.2Confident81.9Confident73 Ų7367 Ų6751%0.5134%0.341SS..Hα-helixtrans-62.6-40.4173.152.80000112.5S226 F232S226-S228 VanDerWaalsContact C-N 3.27Å; S226-S228 PolarHBondContact O-N 3.16Å; S226-S228 PolarHBondContact OG-OG 3.31Å; S228-F232 VanDerWaalsContact O-CB 3.29Å; S228-F232 WeakPolarHBondContact O-CB 3.29Å; S228-F232 PolarHBondContact O-N 3.31Å
229I86.3Confident82.3Confident3 Ų358.7 Ų58.72%0.01532%0.315CS..Hα-helixtrans-64.8-42.6174.2-69.3164.1000110.6F112 L131 P217 V220 M225 S226 E227 F232 L233F112-I229 HydrophobicContact CD2-CG2 4.3Å; F112-I229 HydrophobicContact CE2-CD1 4.34Å; F112-I229 HydrophobicContact CE2-CG2 3.87Å; F112-I229 HydrophobicContact CZ-CD1 4.13Å; L131-I229 HydrophobicContact CD2-CG2 3.9Å; P217-I229 HydrophobicContact CB-CG1 4.14Å; P217-I229 HydrophobicContact CG-CG1 3.97Å; V220-I229 HydrophobicContact CB-CD1 4.4Å; V220-I229 HydrophobicContact CG1-CD1 4.03Å; V220-I229 HydrophobicContact CG2-CD1 4.01Å; V220-I229 HydrophobicContact CG2-CG1 4.25Å; M225-I229 HydrophobicContact CG-CG2 4.14Å; S226-I229 WeakPolarHBondContact O-CB 3.34Å; S226-I229 PolarHBondContact O-N 3.41Å; S226-I229 VanDerWaalsContact O-N 3.11Å; S226-I229 WeakPolarHBondContact OG-CD1 3.36Å; S226-I229 VanDerWaalsContact OG-CG1 3.3Å; S226-I229 WeakPolarHBondContact OG-CG1 3.37Å; S226-I229 PolarHBondContact OG-N 3.13Å; E227-I229 PolarHBondContact O-N 2.71Å; I229-F232 PolarHBondContact O-N 3.42Å; I229-L233 HydrophobicContact CG2-CD1 3.8Å; I229-L233 HydrophobicContact CG2-CG 4.24Å; I229-L233 WeakPolarHBondContact O-CB 3.33Å; I229-L233 VanDerWaalsContact O-CG 3.31Å; I229-L233 WeakPolarHBondContact O-CG 3.05Å; I229-L233 PolarHBondContact O-N 2.89Å
230K84Confident83Confident44 Ų4451.4 Ų51.419%0.19128%0.281CS..Hα-helixtrans-60.2-51.2176.6-63.5-173.7-156.1162.60112.1M225 S226 E227 F232 L233 C234M225-K230 HydrophobicContact CE-CD 4.17Å; M225-K230 HydrophobicContact CE-CG 3.91Å; M225-K230 HydrophobicContact CG-CG 3.78Å; M225-K230 HydrophobicContact SD-CG 4.04Å; S226-K230 PolarHBondContact O-N 3.49Å; E227-K230 PolarHBondContact O-N 2.86Å; E227-K230 IonicContact OE1-NZ 3.94Å; E227-K230 WeakPolarHBondContact OE2-CD 3.32Å; E227-K230 VanDerWaalsContact OE2-CE 3.29Å; E227-K230 WeakPolarHBondContact OE2-CE 3.42Å; E227-K230 IonicContact OE2-NZ 3.84Å; E227-K230 PolarHBondContact OE2-NZ 2.88Å; K230-F232 VanDerWaalsContact C-N 3.26Å; K230-F232 PolarHBondContact O-N 3.34Å; K230-L233 PolarHBondContact O-N 3.36Å; K230-C234 WeakPolarHBondContact O-CB 3.27Å; K230-C234 PolarHBondContact O-N 2.85Å; K230-C234 PolarHBondContact O-SG 2.93Å; K230-C234 VanDerWaalsContact O-SG 3.41Å
231V86Confident83.5Confident94 Ų9450.4 Ų50.457%0.5728%0.275SS*.Hα-helixtrans-58.6-42.3179.5171.90000110.4E227 C234 K235E227-V231 WeakPolarHBondContact O-CG2 3.44Å; E227-V231 PolarHBondContact O-N 2.79Å; V231-C234 PolarHBondContact O-N 2.77Å; V231-K235 PolarHBondContact O-N 3.24Å
232F88Confident84Confident8 Ų849.3 Ų49.34%0.03527%0.268CS..Hα-helixtrans-63.1-49.6175.9-172.1-90.2000112.8L128 L131 I211 E215 V216 P217 S228 I229 K230 C234 K235 V236L128-F232 HydrophobicContact CD1-CE1 4.31Å; L128-F232 HydrophobicContact CD1-CZ 3.65Å; L131-F232 HydrophobicContact CB-CD1 3.9Å; L131-F232 HydrophobicContact CB-CE1 3.73Å; L131-F232 HydrophobicContact CD1-CD1 3.6Å; L131-F232 HydrophobicContact CD1-CE1 3.88Å; L131-F232 HydrophobicContact CD1-CG 4.33Å; L131-F232 HydrophobicContact CG-CD1 4.37Å; L131-F232 HydrophobicContact CG-CE1 4.48Å; I211-F232 HydrophobicContact CD1-CZ 4.25Å; I211-F232 HydrophobicContact CG2-CE2 3.8Å; I211-F232 HydrophobicContact CG2-CZ 4.1Å; E215-F232 WeakPolarHBondContact O-CD2 3.31Å; V216-F232 HydrophobicContact CB-CE2 4.43Å; V216-F232 HydrophobicContact CG2-CE2 3.93Å; V216-F232 HydrophobicContact CG2-CZ 4.13Å; P217-F232 HydrophobicContact CG-CB 4.31Å; P217-F232 HydrophobicContact CG-CG 4.45Å; S228-F232 VanDerWaalsContact O-CB 3.29Å; S228-F232 WeakPolarHBondContact O-CB 3.29Å; S228-F232 PolarHBondContact O-N 3.31Å; I229-F232 PolarHBondContact O-N 3.42Å; K230-F232 VanDerWaalsContact C-N 3.26Å; K230-F232 PolarHBondContact O-N 3.34Å; F232-C234 VanDerWaalsContact C-N 3.34Å; F232-C234 PolarHBondContact O-N 3.33Å; F232-K235 WeakPolarHBondContact O-CB 3.49Å; F232-K235 PolarHBondContact O-N 2.95Å; F232-K235 VanDerWaalsContact O-N 3.09Å; F232-V236 HydrophobicContact CD1-CG2 4.02Å; F232-V236 HydrophobicContact CE1-CG2 3.53Å; F232-V236 HydrophobicContact CZ-CG2 3.87Å; F232-V236 PolarHBondContact O-N 3.18Å
233L87.5Confident84.8Confident0 Ų048.1 Ų48.10%027%0.267CS..Hα-helixtrans-59.8-43.2177.3-73.9173.2000111.6F108 L131 V134 A135 I229 K230 K235 V236 Y237F108-L233 HydrophobicContact CB-CD1 4.19Å; F108-L233 HydrophobicContact CD1-CB 4.04Å; F108-L233 HydrophobicContact CD1-CD1 4.03Å; F108-L233 HydrophobicContact CD1-CG 4.45Å; F108-L233 HydrophobicContact CD2-CB 4.45Å; F108-L233 HydrophobicContact CE1-CB 3.93Å; F108-L233 HydrophobicContact CE2-CB 4.33Å; F108-L233 HydrophobicContact CG-CB 4.33Å; F108-L233 HydrophobicContact CG-CD1 4.15Å; F108-L233 HydrophobicContact CZ-CB 4.08Å; L131-L233 HydrophobicContact CB-CD2 4.22Å; L131-L233 HydrophobicContact CD2-CD2 4.26Å; L131-L233 WeakPolarHBondContact O-CD2 3.16Å; V134-L233 HydrophobicContact CB-CD2 4.31Å; V134-L233 HydrophobicContact CG1-CD1 4.27Å; V134-L233 HydrophobicContact CG1-CD2 4.03Å; A135-L233 HydrophobicContact CB-CD2 4.05Å; I229-L233 HydrophobicContact CG2-CD1 3.8Å; I229-L233 HydrophobicContact CG2-CG 4.24Å; I229-L233 WeakPolarHBondContact O-CB 3.33Å; I229-L233 VanDerWaalsContact O-CG 3.31Å; I229-L233 WeakPolarHBondContact O-CG 3.05Å; I229-L233 PolarHBondContact O-N 2.89Å; K230-L233 PolarHBondContact O-N 3.36Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 3.27Å; L233-V236 PolarHBondContact O-N 2.93Å; L233-Y237 WeakPolarHBondContact O-CB 3.42Å; L233-Y237 PolarHBondContact O-N 3.48Å
234C85.5Confident85.6Confident40 Ų4046 Ų4627%0.2724%0.244SC..Hα-helixtrans-60.5-38173.6-76.90000112.6K230 V231 F232 N238K230-C234 WeakPolarHBondContact O-CB 3.27Å; K230-C234 PolarHBondContact O-N 2.85Å; K230-C234 PolarHBondContact O-SG 2.93Å; K230-C234 VanDerWaalsContact O-SG 3.41Å; V231-C234 PolarHBondContact O-N 2.77Å; F232-C234 VanDerWaalsContact C-N 3.34Å; F232-C234 PolarHBondContact O-N 3.33Å; C234-N238 WeakPolarHBondContact O-CB 3.48Å; C234-N238 PolarHBondContact O-N 2.96Å; C234-N238 VanDerWaalsContact O-N 3.08Å; C234-N238 PolarHBondContact O-ND2 3.11Å
235K87.1Confident85.8Confident79 Ų7942.9 Ų42.934%0.34322%0.224SC..Hα-helixtrans-65.2-54.8174.9-173.9176.2-177177.60110.9E215 V231 F232 L233 Y237 N238 S239E215-K235 IonicContact OE1-NZ 2.68Å; E215-K235 PolarHBondContact OE1-NZ 3.02Å; E215-K235 IonicContact OE2-NZ 3.5Å; E215-K235 PolarHBondContact OE2-NZ 3.36Å; V231-K235 PolarHBondContact O-N 3.24Å; F232-K235 WeakPolarHBondContact O-CB 3.49Å; F232-K235 PolarHBondContact O-N 2.95Å; F232-K235 VanDerWaalsContact O-N 3.09Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 3.27Å; K235-Y237 VanDerWaalsContact C-N 3.29Å; K235-Y237 PolarHBondContact O-N 2.84Å; K235-N238 PolarHBondContact O-N 3.26Å; K235-S239 VanDerWaalsContact O-CB 3.25Å; K235-S239 WeakPolarHBondContact O-CB 3.28Å; K235-S239 PolarHBondContact O-N 3.34Å; K235-S239 PolarHBondContact O-OG 3.01Å
236V88.8Confident85.6Confident2 Ų242.8 Ų42.81%0.01223%0.234CC..Hα-helixtrans-57.7-42.9178.8176.40000111.4V132 A135 I211 F232 L233 L240 V241V132-V236 HydrophobicContact CG2-CG1 4.11Å; A135-V236 HydrophobicContact CB-CB 4.35Å; A135-V236 HydrophobicContact CB-CG1 3.93Å; I211-V236 HydrophobicContact CD1-CG2 3.93Å; F232-V236 HydrophobicContact CD1-CG2 4.02Å; F232-V236 HydrophobicContact CE1-CG2 3.53Å; F232-V236 HydrophobicContact CZ-CG2 3.87Å; F232-V236 PolarHBondContact O-N 3.18Å; L233-V236 PolarHBondContact O-N 2.93Å; V236-L240 WeakPolarHBondContact O-CB 3.34Å; V236-L240 PolarHBondContact O-N 3.5Å; V236-V241 HydrophobicContact CG1-CG2 4.41Å; V236-V241 PolarHBondContact O-N 3.35Å
237Y87.4Confident85.4Confident12 Ų1243.6 Ų43.65%0.04724%0.243CC..Iπ-helixtrans-60.2-53.2178.5176.6-95.2000112.3L104 F108 Q139 L233 K235 V241 K242L104-Y237 HydrophobicContact CD1-CD1 4.42Å; L104-Y237 HydrophobicContact CD1-CE1 3.97Å; L104-Y237 HydrophobicContact CD2-CD1 3.96Å; L104-Y237 HydrophobicContact CD2-CD2 4.19Å; L104-Y237 HydrophobicContact CD2-CE1 3.77Å; L104-Y237 HydrophobicContact CD2-CE2 4.01Å; L104-Y237 HydrophobicContact CD2-CG 4.17Å; L104-Y237 HydrophobicContact CG-CE1 4.49Å; F108-Y237 HydrophobicContact CZ-CD2 4.31Å; F108-Y237 HydrophobicContact CZ-CG 4.05Å; Q139-Y237 HydrophobicContact CB-CE2 4.12Å; Q139-Y237 HydrophobicContact CG-CE2 4.23Å; Q139-Y237 PolarHBondContact OE1-OH 2.96Å; L233-Y237 WeakPolarHBondContact O-CB 3.42Å; L233-Y237 PolarHBondContact O-N 3.48Å; K235-Y237 VanDerWaalsContact C-N 3.29Å; K235-Y237 PolarHBondContact O-N 2.84Å; Y237-V241 HydrophobicContact CD2-CB 3.99Å; Y237-V241 HydrophobicContact CD2-CG1 4.13Å; Y237-V241 HydrophobicContact CE2-CG1 4.39Å; Y237-V241 PolarHBondContact O-N 2.85Å; Y237-K242 HydrophobicContact CD1-CB 4.49Å; Y237-K242 HydrophobicContact CE1-CB 4.18Å; Y237-K242 HydrophobicContact CE1-CD 4.33Å; Y237-K242 HydrophobicContact CE1-CG 4.5Å; Y237-K242 VanDerWaalsContact O-CB 3.27Å; Y237-K242 WeakPolarHBondContact O-CB 3.4Å; Y237-K242 PolarHBondContact O-N 3.48Å
238N85Confident84.9Confident84 Ų8439.9 Ų39.945%0.44923%0.225SC..Iπ-helixtrans-70.7-33.6-178.5-73.7-58000112.9C234 K235C234-N238 WeakPolarHBondContact O-CB 3.48Å; C234-N238 PolarHBondContact O-N 2.96Å; C234-N238 VanDerWaalsContact O-N 3.08Å; C234-N238 PolarHBondContact O-ND2 3.11Å; K235-N238 PolarHBondContact O-N 3.26Å
239S86.9Confident84.2Confident34 Ų3438.6 Ų38.624%0.23821%0.211CC..Iπ-helixtrans-79.1-31.6-178-61.60000113.8K235 K243K235-S239 VanDerWaalsContact O-CB 3.25Å; K235-S239 WeakPolarHBondContact O-CB 3.28Å; K235-S239 PolarHBondContact O-N 3.34Å; K235-S239 PolarHBondContact O-OG 3.01Å; S239-K243 WeakPolarHBondContact O-CD 3.47Å; S239-K243 WeakPolarHBondContact O-CE 3.45Å; S239-K243 PolarHBondContact O-NZ 3.38Å
240L90Very high83.2Confident1 Ų139.5 Ų39.51%0.00522%0.217CC..Iπ-helixtrans-128.6-66.7-174.1-176.269.2000112.8F136 V194 A196 H207 V209 V236 K242 K243 V244F136-L240 HydrophobicContact CE2-CD2 3.93Å; F136-L240 HydrophobicContact CZ-CD2 3.96Å; F136-L240 HydrophobicContact CZ-CG 4.17Å; V194-L240 HydrophobicContact CB-CD2 4.19Å; V194-L240 HydrophobicContact CG1-CD2 3.47Å; V194-L240 VanDerWaalsContact CG1-CD2 3.47Å; A196-L240 HydrophobicContact CB-CD1 4.14Å; H207-L240 HydrophobicContact CB-CD1 3.82Å; V209-L240 HydrophobicContact CG1-CB 3.98Å; V209-L240 HydrophobicContact CG1-CD2 4.18Å; V209-L240 HydrophobicContact CG1-CG 4.48Å; V236-L240 WeakPolarHBondContact O-CB 3.34Å; V236-L240 PolarHBondContact O-N 3.5Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.41Å; L240-K243 WeakPolarHBondContact O-CA 3.49Å; L240-K243 WeakPolarHBondContact O-CB 3.36Å; L240-K243 PolarHBondContact O-N 3.4Å; L240-V244 HydrophobicContact CD1-CG2 4.12Å; L240-V244 HydrophobicContact CG-CG2 4.29Å; L240-V244 PolarHBondContact O-N 3.25Å
241V87.1Confident82.2Confident0 Ų042.1 Ų42.10%024%0.239CC..Iπ-helixtrans-57.4-43.7-166.8-174.60000112.3A135 F136 Q139 F141 V236 Y237 K243 V244 Y245A135-V241 HydrophobicContact CB-CG2 3.91Å; F136-V241 HydrophobicContact CD1-CB 4.48Å; F136-V241 HydrophobicContact CD1-CG1 3.86Å; F136-V241 HydrophobicContact CD1-CG2 4.19Å; F136-V241 HydrophobicContact CD2-CG2 3.96Å; F136-V241 HydrophobicContact CE1-CB 4.42Å; F136-V241 HydrophobicContact CE1-CG1 4.17Å; F136-V241 HydrophobicContact CE1-CG2 4.2Å; F136-V241 HydrophobicContact CE2-CG2 3.97Å; F136-V241 HydrophobicContact CG-CG1 4.28Å; F136-V241 HydrophobicContact CG-CG2 4.05Å; F136-V241 HydrophobicContact CZ-CG2 4.09Å; Q139-V241 HydrophobicContact CB-CG1 3.57Å; Q139-V241 HydrophobicContact CG-CG1 4.06Å; F141-V241 HydrophobicContact CE2-CG1 4.3Å; V236-V241 HydrophobicContact CG1-CG2 4.41Å; V236-V241 PolarHBondContact O-N 3.35Å; Y237-V241 HydrophobicContact CD2-CB 3.99Å; Y237-V241 HydrophobicContact CD2-CG1 4.13Å; Y237-V241 HydrophobicContact CE2-CG1 4.39Å; Y237-V241 PolarHBondContact O-N 2.85Å; V241-K243 VanDerWaalsContact C-N 3.28Å; V241-K243 PolarHBondContact O-N 3.17Å; V241-V244 PolarHBondContact O-N 3.36Å; V241-Y245 WeakPolarHBondContact O-CB 3.19Å; V241-Y245 PolarHBondContact O-N 2.88Å
242K83.7Confident80.9Confident101 Ų10140.2 Ų40.244%0.43922%0.222SC..Hα-helixtrans-61.9-34.2177.7-173.6180179.9-178.50112.6Y237 L240 G246Y237-K242 HydrophobicContact CD1-CB 4.49Å; Y237-K242 HydrophobicContact CE1-CB 4.18Å; Y237-K242 HydrophobicContact CE1-CD 4.33Å; Y237-K242 HydrophobicContact CE1-CG 4.5Å; Y237-K242 VanDerWaalsContact O-CB 3.27Å; Y237-K242 WeakPolarHBondContact O-CB 3.4Å; Y237-K242 PolarHBondContact O-N 3.48Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.41Å; K242-G246 PolarHBondContact O-N 3.2Å
243K86.4Confident79.7Confident110 Ų11040 Ų4048%0.47822%0.221SC..Hα-helixtrans-72.5-47.9176.7-61179-173.91580110.9S239 L240 V241 Y245 G246 A247S239-K243 WeakPolarHBondContact O-CD 3.47Å; S239-K243 WeakPolarHBondContact O-CE 3.45Å; S239-K243 PolarHBondContact O-NZ 3.38Å; L240-K243 WeakPolarHBondContact O-CA 3.49Å; L240-K243 WeakPolarHBondContact O-CB 3.36Å; L240-K243 PolarHBondContact O-N 3.4Å; V241-K243 VanDerWaalsContact C-N 3.28Å; V241-K243 PolarHBondContact O-N 3.17Å; K243-Y245 VanDerWaalsContact C-N 3.34Å; K243-Y245 PolarHBondContact O-N 2.91Å; K243-G246 PolarHBondContact O-N 3.1Å; K243-A247 VanDerWaalsContact O-CB 3.28Å; K243-A247 WeakPolarHBondContact O-CB 3.37Å; K243-A247 PolarHBondContact O-N 3.47Å
244V86.3Confident78.5Confident0 Ų043.1 Ų43.10%025%0.247CC..Hα-helixtrans-59.4-46.1177.6-179.30000110.6F136 F141 F176 A196 H207 L240 V241 H248F136-V244 HydrophobicContact CE1-CB 4.25Å; F136-V244 HydrophobicContact CE1-CG1 4.22Å; F136-V244 HydrophobicContact CE1-CG2 4.34Å; F136-V244 HydrophobicContact CZ-CG2 4.35Å; F141-V244 HydrophobicContact CE1-CG1 4.41Å; F141-V244 HydrophobicContact CZ-CG1 4.14Å; F176-V244 HydrophobicContact CD1-CG1 3.73Å; F176-V244 HydrophobicContact CE1-CG1 3.83Å; F176-V244 HydrophobicContact CG-CG1 4.17Å; F176-V244 HydrophobicContact CZ-CG1 4.38Å; A196-V244 HydrophobicContact CB-CG2 3.56Å; H207-V244 HydrophobicContact CB-CG2 3.95Å; L240-V244 HydrophobicContact CD1-CG2 4.12Å; L240-V244 HydrophobicContact CG-CG2 4.29Å; L240-V244 PolarHBondContact O-N 3.25Å; V241-V244 PolarHBondContact O-N 3.36Å; V244-H248 PolarHBondContact O-CD2 3.42Å
245Y82.7Confident77.3Confident18 Ų1846.7 Ų46.77%0.07126%0.26CS..Hα-helixtrans-64.1-50176.6-176.9-88.6000111.5Q139 F141 H169 P170 V171 V241 K243 A247 H248 E249Q139-Y245 HydrophobicContact CG-CD1 4.49Å; Q139-Y245 HydrophobicContact CG-CD2 3.54Å; Q139-Y245 HydrophobicContact CG-CE2 4.16Å; Q139-Y245 HydrophobicContact CG-CG 3.75Å; F141-Y245 HydrophobicContact CE2-CD2 4.07Å; H169-Y245 AromaticContact NE2-CD2 3.51Å; P170-Y245 HydrophobicContact CG-CD2 4.4Å; P170-Y245 HydrophobicContact CG-CE2 3.92Å; V171-Y245 HydrophobicContact CG2-CE2 4.13Å; V241-Y245 WeakPolarHBondContact O-CB 3.19Å; V241-Y245 PolarHBondContact O-N 2.88Å; K243-Y245 VanDerWaalsContact C-N 3.34Å; K243-Y245 PolarHBondContact O-N 2.91Å; Y245-A247 PolarHBondContact O-N 3.42Å; Y245-H248 CarbonylContact O-C 3.54Å; Y245-H248 PolarHBondContact O-N 3.07Å; Y245-E249 HydrophobicContact CD1-CB 4.45Å; Y245-E249 HydrophobicContact CE1-CB 4.24Å; Y245-E249 VanDerWaalsContact CE1-CD 3.43Å; Y245-E249 HydrophobicContact CE1-CG 4.19Å; Y245-E249 VanDerWaalsContact CE1-OE1 3.27Å; Y245-E249 WeakPolarHBondContact CE1-OE1 3.4Å; Y245-E249 PolarHBondContact O-N 3.16Å; Y245-E249 PolarHBondContact OH-OE1 3.29Å
246G77.4Confident75.9Confident40 Ų4044.5 Ų44.541%0.41225%0.252SS..Hα-helixtrans-64.9-33.3-178.200000114.5K242 K243 H248 E249K242-G246 PolarHBondContact O-N 3.2Å; K243-G246 PolarHBondContact O-N 3.1Å; G246-H248 PolarHBondContact O-N 3.27Å; G246-E249 PolarHBondContact O-N 2.87Å
247A78.8Confident74.3Confident57 Ų5748.5 Ų48.547%0.47128%0.278SS..Hα-helixtrans-64.2-21.3176.200000113.3K243 Y245K243-A247 VanDerWaalsContact O-CB 3.28Å; K243-A247 WeakPolarHBondContact O-CB 3.37Å; K243-A247 PolarHBondContact O-N 3.47Å; Y245-A247 PolarHBondContact O-N 3.42Å
248H73.8Confident72.8Confident37 Ų3752.9 Ų52.917%0.17130%0.298CS..THydrogen-bonded Turntrans-124.312.7179.9-57.1-69.6000113T172 F176 D198 V244 Y245 G246T172-H248 WeakPolarHBondContact CG2-O 3.23Å; F176-H248 AromaticContact CE1-CD2 3.69Å; F176-H248 AromaticContact CE1-NE2 3.57Å; F176-H248 AromaticContact CZ-CD2 3.23Å; F176-H248 WeakPolarHBondContact CZ-CD2 3.34Å; F176-H248 AromaticContact CZ-CG 3.91Å; F176-H248 AromaticContact CZ-NE2 3.43Å; F176-H248 WeakPolarHBondContact CZ-NE2 3.36Å; D198-H248 IonicContact OD2-CE1 2.71Å; D198-H248 IonicContact OD2-NE2 2.78Å; V244-H248 PolarHBondContact O-CD2 3.42Å; Y245-H248 CarbonylContact O-C 3.54Å; Y245-H248 PolarHBondContact O-N 3.07Å; G246-H248 PolarHBondContact O-N 3.27Å
249E69.9Low71.5Confident46 Ų4650.9 Ų50.922%0.21529%0.286CS..SBendtrans-74.6127173.3-179.1157.9-134.400109.3Y245 G246 L253 A254Y245-E249 HydrophobicContact CD1-CB 4.45Å; Y245-E249 HydrophobicContact CE1-CB 4.24Å; Y245-E249 VanDerWaalsContact CE1-CD 3.43Å; Y245-E249 HydrophobicContact CE1-CG 4.19Å; Y245-E249 VanDerWaalsContact CE1-OE1 3.27Å; Y245-E249 WeakPolarHBondContact CE1-OE1 3.4Å; Y245-E249 PolarHBondContact O-N 3.16Å; Y245-E249 PolarHBondContact OH-OE1 3.29Å; G246-E249 PolarHBondContact O-N 2.87Å; E249-L253 HydrophobicContact CG-CB 3.8Å; E249-L253 WeakPolarHBondContact OE1-CB 3.49Å; E249-A254 HydrophobicContact CG-CB 4.16Å
250P64.5Low70.1Confident22 Ų2251.1 Ų51.114%0.14329%0.286CS..  trans-58136.5174.5-25.334.9000111V171 Y252 L253 A254V171-P250 HydrophobicContact CG1-CG 3.65Å; P250-Y252 HydrophobicContact CB-CD1 3.8Å; P250-Y252 HydrophobicContact CB-CE1 3.25Å; P250-Y252 HydrophobicContact CB-CE2 4.35Å; P250-Y252 HydrophobicContact CG-CE1 4.23Å; P250-Y252 PolarHBondContact O-N 2.78Å; P250-L253 HydrophobicContact CG-CD1 4.49Å; P250-L253 PolarHBondContact O-N 2.95Å; P250-A254 PolarHBondContact O-N 2.94Å
251P63.3Low68.7Low100 Ų10051.7 Ų51.765%0.64929%0.29SS*.Hα-helixtrans-55-26.9-171.6-30.435.1000115.6Q255P251-Q255 VanDerWaalsContact O-CG 3.28Å; P251-Q255 WeakPolarHBondContact O-CG 3.44Å; P251-Q255 PolarHBondContact O-N 3.12Å; P251-Q255 PolarHBondContact O-NE2 3.15Å
252Y59.5Low67.3Low54 Ų5453.9 Ų53.921%0.21230%0.302CS..Hα-helixtrans-76.9-26.5177.162.9-93.5000113.7P250 S274 T277P250-Y252 HydrophobicContact CB-CD1 3.8Å; P250-Y252 HydrophobicContact CB-CE1 3.25Å; P250-Y252 HydrophobicContact CB-CE2 4.35Å; P250-Y252 HydrophobicContact CG-CE1 4.23Å; P250-Y252 PolarHBondContact O-N 2.78Å; Y252-S274 WeakPolarHBondContact OH-CB 3.48Å; Y252-S274 PolarHBondContact OH-OG 3.36Å; Y252-T277 HydrophobicContact CD2-CG2 3.8Å; Y252-T277 HydrophobicContact CE2-CG2 4.13Å
253L62Low66Low2 Ų251.4 Ų51.41%0.0130%0.295CS..Hα-helixtrans-75.6-39.9172.5-68.3-171.1000110.7V171 E249 P250 Q255 L256 V270 F273V171-L253 HydrophobicContact CG1-CD1 3.64Å; V171-L253 HydrophobicContact CG2-CD1 4.1Å; E249-L253 HydrophobicContact CG-CB 3.8Å; E249-L253 WeakPolarHBondContact OE1-CB 3.49Å; P250-L253 HydrophobicContact CG-CD1 4.49Å; P250-L253 PolarHBondContact O-N 2.95Å; L253-Q255 PolarHBondContact O-N 3.31Å; L253-Q255 VanDerWaalsContact O-N 3.16Å; L253-L256 HydrophobicContact CD2-CD1 3.97Å; L253-L256 WeakPolarHBondContact O-CB 3.35Å; L253-L256 PolarHBondContact O-N 2.85Å; L253-V270 HydrophobicContact CD1-CG1 4.11Å; L253-F273 HydrophobicContact CD2-CD1 4.05Å; L253-F273 HydrophobicContact CD2-CE1 3.82Å
254A61.9Low64.7Low66 Ų6648.9 Ų48.955%0.54529%0.286SS..Hα-helixtrans-62-21.817600000113.5E249 P250E249-A254 HydrophobicContact CG-CB 4.16Å; P250-A254 PolarHBondContact O-N 2.94Å
255Q60.5Low63.5Low115 Ų11549.2 Ų49.254%0.53729%0.288SS..THydrogen-bonded Turntrans-83.5-21.3174.1-72.91671500113.4P251 L253P251-Q255 VanDerWaalsContact O-CG 3.28Å; P251-Q255 WeakPolarHBondContact O-CG 3.44Å; P251-Q255 PolarHBondContact O-N 3.12Å; P251-Q255 PolarHBondContact O-NE2 3.15Å; L253-Q255 PolarHBondContact O-N 3.31Å; L253-Q255 VanDerWaalsContact O-N 3.16Å
256L57.7Low62.3Low34 Ų3453.8 Ų53.818%0.17831%0.308CS..SBendtrans-75.7139176.1-67.6172.3000109.5L253 Q258 V261 F273L253-L256 HydrophobicContact CD2-CD1 3.97Å; L253-L256 WeakPolarHBondContact O-CB 3.35Å; L253-L256 PolarHBondContact O-N 2.85Å; L256-Q258 PolarHBondContact O-N 3.35Å; L256-V261 HydrophobicContact CB-CG2 3.63Å; L256-V261 HydrophobicContact CD1-CG2 3.97Å; L256-V261 HydrophobicContact CG-CG2 4.48Å; L256-F273 HydrophobicContact CD1-CE1 3.56Å; L256-F273 HydrophobicContact CD1-CZ 3.58Å
257P55.6Low61.4Low86 Ų8661.2 Ų61.256%0.55833%0.325SS*.  trans-59139.1170.8-17.129000109.1F259 P260P257-F259 PolarHBondContact O-N 3.16Å; P257-F259 VanDerWaalsContact O-N 3.09Å; P257-P260 HydrophobicContact CB-CG 4.33Å; P257-P260 VanDerWaalsContact O-CD 3.22Å; P257-P260 WeakPolarHBondContact O-CD 3.3Å
258Q56.7Low60.6Low103 Ų10361.6 Ų61.648%0.48132%0.319SS..Hα-helixtrans-57.8-31.9-174.2-67.9-174-29.200112.6L256 V261 L262L256-Q258 PolarHBondContact O-N 3.35Å; Q258-V261 PolarHBondContact O-N 2.95Å; Q258-L262 HydrophobicContact CB-CD1 4.26Å; Q258-L262 WeakPolarHBondContact O-CB 3.48Å; Q258-L262 WeakPolarHBondContact O-CD1 3.25Å; Q258-L262 VanDerWaalsContact O-CG 3.23Å; Q258-L262 WeakPolarHBondContact O-CG 3.08Å; Q258-L262 PolarHBondContact O-N 3.12Å
259F56.5Low60.3Low42 Ų4262.2 Ų62.218%0.18433%0.327CS..Hα-helixtrans-64-55.4-176.9-179.9-79.9000113.7L95 P96 L98 P257 V261 L262 V263L95-F259 HydrophobicContact CB-CD1 4.25Å; L95-F259 HydrophobicContact CB-CE1 3.55Å; L95-F259 HydrophobicContact CB-CZ 4.19Å; L95-F259 HydrophobicContact CD1-CD1 4.13Å; L95-F259 HydrophobicContact CD1-CE1 3.86Å; L95-F259 HydrophobicContact CD2-CE1 4.11Å; L95-F259 HydrophobicContact CG-CE1 4.03Å; P96-F259 HydrophobicContact CG-CZ 4.23Å; P96-F259 WeakPolarHBondContact O-CE2 3.35Å; P96-F259 WeakPolarHBondContact O-CZ 3.08Å; L98-F259 HydrophobicContact CB-CD2 4.48Å; L98-F259 HydrophobicContact CB-CE2 4.1Å; L98-F259 HydrophobicContact CD1-CE2 4.23Å; L98-F259 HydrophobicContact CG-CE2 4.35Å; P257-F259 PolarHBondContact O-N 3.16Å; P257-F259 VanDerWaalsContact O-N 3.09Å; F259-V261 VanDerWaalsContact C-N 3.28Å; F259-V261 PolarHBondContact O-N 3.27Å; F259-L262 PolarHBondContact O-N 3.44Å; F259-L262 VanDerWaalsContact O-N 3.11Å; F259-V263 HydrophobicContact CD1-CG2 4Å; F259-V263 HydrophobicContact CE1-CG2 3.46Å; F259-V263 VanDerWaalsContact CE1-CG2 3.46Å; F259-V263 HydrophobicContact CE2-CG2 4.22Å; F259-V263 HydrophobicContact CZ-CG2 3.59Å; F259-V263 WeakPolarHBondContact O-CG2 3.44Å; F259-V263 PolarHBondContact O-N 2.72Å
260P57.3Low60.2Low39 Ų3960.5 Ų60.525%0.25332%0.32SS..Hα-helixtrans-49.4-44.2169.4-3133.8000114.2P257 L262 V263 I264P257-P260 HydrophobicContact CB-CG 4.33Å; P257-P260 VanDerWaalsContact O-CD 3.22Å; P257-P260 WeakPolarHBondContact O-CD 3.3Å; P260-L262 PolarHBondContact O-N 2.87Å; P260-V263 PolarHBondContact O-N 2.99Å; P260-I264 WeakPolarHBondContact O-CB 3.43Å; P260-I264 VanDerWaalsContact O-CG1 3.24Å; P260-I264 WeakPolarHBondContact O-CG1 3.47Å; P260-I264 PolarHBondContact O-N 2.68Å
261V61Low60.4Low14 Ų1465.4 Ų65.49%0.08534%0.339CS..Hα-helixtrans-61.6-45.3177.6-176.30000110.5L256 Q258 F259 S265 F273L256-V261 HydrophobicContact CB-CG2 3.63Å; L256-V261 HydrophobicContact CD1-CG2 3.97Å; L256-V261 HydrophobicContact CG-CG2 4.48Å; Q258-V261 PolarHBondContact O-N 2.95Å; F259-V261 VanDerWaalsContact C-N 3.28Å; F259-V261 PolarHBondContact O-N 3.27Å; V261-S265 WeakPolarHBondContact O-CB 3.22Å; V261-S265 PolarHBondContact O-N 2.7Å; V261-S265 PolarHBondContact O-OG 3.22Å; V261-F273 HydrophobicContact CG1-CE1 4.45Å; V261-F273 HydrophobicContact CG2-CE1 4.21Å
262L58.7Low60.6Low46 Ų4664.2 Ų64.224%0.24133%0.328CS..Hα-helixtrans-64.3-41178.2-74.6159.9000112.5V103 Q258 F259 P260 S265 K266V103-L262 HydrophobicContact CB-CD1 4.17Å; V103-L262 HydrophobicContact CG1-CB 4.13Å; V103-L262 HydrophobicContact CG1-CD1 3.76Å; V103-L262 HydrophobicContact CG1-CD2 4.09Å; V103-L262 HydrophobicContact CG1-CG 4.2Å; Q258-L262 HydrophobicContact CB-CD1 4.26Å; Q258-L262 WeakPolarHBondContact O-CB 3.48Å; Q258-L262 WeakPolarHBondContact O-CD1 3.25Å; Q258-L262 VanDerWaalsContact O-CG 3.23Å; Q258-L262 WeakPolarHBondContact O-CG 3.08Å; Q258-L262 PolarHBondContact O-N 3.12Å; F259-L262 PolarHBondContact O-N 3.44Å; F259-L262 VanDerWaalsContact O-N 3.11Å; P260-L262 PolarHBondContact O-N 2.87Å; L262-S265 WeakPolarHBondContact CA-OG 3.26Å; L262-S265 PolarHBondContact O-OG 2.89Å; L262-S265 VanDerWaalsContact O-OG 3.05Å; L262-K266 PolarHBondContact O-N 3.18Å
263V55.7Low61Low48 Ų4862.5 Ų62.529%0.29132%0.321SS..Hα-helixtrans-69.8-51.5177.3174.10000111.8F259 P260 S265 K266 Y267F259-V263 HydrophobicContact CD1-CG2 4Å; F259-V263 HydrophobicContact CE1-CG2 3.46Å; F259-V263 VanDerWaalsContact CE1-CG2 3.46Å; F259-V263 HydrophobicContact CE2-CG2 4.22Å; F259-V263 HydrophobicContact CZ-CG2 3.59Å; F259-V263 WeakPolarHBondContact O-CG2 3.44Å; F259-V263 PolarHBondContact O-N 2.72Å; P260-V263 PolarHBondContact O-N 2.99Å; V263-S265 PolarHBondContact O-N 3.02Å; V263-K266 WeakPolarHBondContact O-CB 3.16Å; V263-K266 PolarHBondContact O-N 3.44Å; V263-Y267 WeakPolarHBondContact O-CD2 3.33Å
264I59.3Low61.3Low58 Ų5862.8 Ų62.830%0.29732%0.323SS..Hα-helixtrans-61.5-37.1179.6-63.9166000110P260 K266 Y267 L268 F273P260-I264 WeakPolarHBondContact O-CB 3.43Å; P260-I264 VanDerWaalsContact O-CG1 3.24Å; P260-I264 WeakPolarHBondContact O-CG1 3.47Å; P260-I264 PolarHBondContact O-N 2.68Å; I264-K266 PolarHBondContact O-N 2.87Å; I264-Y267 PolarHBondContact O-N 3.02Å; I264-L268 HydrophobicContact CG2-CB 4.47Å; I264-L268 HydrophobicContact CG2-CD1 4.06Å; I264-L268 PolarHBondContact O-N 2.97Å; I264-F273 HydrophobicContact CB-CD2 4.33Å; I264-F273 HydrophobicContact CB-CE2 4.44Å; I264-F273 HydrophobicContact CD1-CD2 4.28Å; I264-F273 HydrophobicContact CD1-CE2 3.59Å; I264-F273 HydrophobicContact CD1-CZ 3.89Å; I264-F273 HydrophobicContact CG2-CB 4.34Å; I264-F273 HydrophobicContact CG2-CD2 3.46Å; I264-F273 VanDerWaalsContact CG2-CD2 3.46Å; I264-F273 HydrophobicContact CG2-CE2 3.92Å; I264-F273 HydrophobicContact CG2-CG 3.94Å
265S61.5Low61.6Low6 Ų661.8 Ų61.84%0.04231%0.309CS..THydrogen-bonded Turntrans-71-4.6176.771.80000114.6R140 V261 L262 V263 Y267 L268R140-S265 VanDerWaalsContact CZ-OG 3.23Å; R140-S265 PolarHBondContact NH1-O 2.78Å; R140-S265 VanDerWaalsContact NH2-C 3.28Å; R140-S265 PolarHBondContact NH2-O 3.08Å; R140-S265 PolarHBondContact NH2-OG 2.89Å; V261-S265 WeakPolarHBondContact O-CB 3.22Å; V261-S265 PolarHBondContact O-N 2.7Å; V261-S265 PolarHBondContact O-OG 3.22Å; L262-S265 WeakPolarHBondContact CA-OG 3.26Å; L262-S265 PolarHBondContact O-OG 2.89Å; L262-S265 VanDerWaalsContact O-OG 3.05Å; V263-S265 PolarHBondContact O-N 3.02Å; S265-Y267 VanDerWaalsContact C-N 3.27Å; S265-L268 CarbonylContact C-O 3.58Å; S265-L268 VanDerWaalsContact CA-O 3.24Å; S265-L268 WeakPolarHBondContact CA-O 3.45Å
266K57.5Low61.9Low114 Ų11460.2 Ų60.250%0.49630%0.304SS..THydrogen-bonded Turntrans-71.8-22.8163.9-62-161.2179.2-165.70112.1E106 L262 V263 I264E106-K266 IonicContact OE1-NZ 2.8Å; E106-K266 PolarHBondContact OE1-NZ 3.11Å; E106-K266 IonicContact OE2-NZ 3.81Å; E106-K266 PolarHBondContact OE2-NZ 3.38Å; L262-K266 PolarHBondContact O-N 3.18Å; V263-K266 WeakPolarHBondContact O-CB 3.16Å; V263-K266 PolarHBondContact O-N 3.44Å; I264-K266 PolarHBondContact O-N 2.87Å
267Y58.1Low62.3Low196 Ų19659.4 Ų59.477%0.76930%0.3SS*.THydrogen-bonded Turntrans-111.6-36.1-176.1-57.8-82000113.8V263 I264 S265V263-Y267 WeakPolarHBondContact O-CD2 3.33Å; I264-Y267 PolarHBondContact O-N 3.02Å; S265-Y267 VanDerWaalsContact C-N 3.27Å
268L61.4Low62.8Low66 Ų6662.3 Ų62.335%0.34630%0.3SS..SBendtrans-112.4151.7177.1-65.6174.6000110.4I264 S265 D272 F273 L276I264-L268 HydrophobicContact CG2-CB 4.47Å; I264-L268 HydrophobicContact CG2-CD1 4.06Å; I264-L268 PolarHBondContact O-N 2.97Å; S265-L268 CarbonylContact C-O 3.58Å; S265-L268 VanDerWaalsContact CA-O 3.24Å; S265-L268 WeakPolarHBondContact CA-O 3.45Å; L268-D272 HydrophobicContact CB-CB 4.45Å; L268-F273 HydrophobicContact CB-CB 4.39Å; L268-L276 HydrophobicContact CD1-CD2 3.77Å
269S68.2Low63.1Low49 Ų4961 Ų6134%0.34330%0.299SS..  trans-66155.416684.10000109.5K271 D272 F273S269-K271 PolarHBondContact O-N 3.5Å; S269-K271 PolarHBondContact OG-N 3.43Å; S269-D272 VanDerWaalsContact CB-OD2 3.3Å; S269-D272 WeakPolarHBondContact CB-OD2 3.22Å; S269-D272 PolarHBondContact O-N 3.42Å; S269-D272 PolarHBondContact OG-N 3.32Å; S269-D272 PolarHBondContact OG-OD2 3.33Å; S269-F273 PolarHBondContact O-N 2.95Å
270V67.4Low63.4Low10 Ų1062.1 Ų62.16%0.06131%0.312CS..Hα-helixtrans-64.1-31.1178.4-166.40000110.5V171 L253 S274V171-V270 HydrophobicContact CG2-CB 4.4Å; V171-V270 HydrophobicContact CG2-CG1 3.7Å; L253-V270 HydrophobicContact CD1-CG1 4.11Å; V270-S274 WeakPolarHBondContact O-CB 3.21Å; V270-S274 PolarHBondContact O-N 3.36Å
271K68.3Low63.7Low126 Ų12664 Ų6455%0.54832%0.316SS..Hα-helixtrans-61.6-46.3170-176.8-175.7177.9-173.50111.8S269 S274 N275S269-K271 PolarHBondContact O-N 3.5Å; S269-K271 PolarHBondContact OG-N 3.43Å; K271-S274 WeakPolarHBondContact O-CB 3.46Å; K271-S274 PolarHBondContact O-N 2.93Å; K271-N275 WeakPolarHBondContact O-CB 3.43Å; K271-N275 PolarHBondContact O-N 3.09Å; K271-N275 PolarHBondContact O-ND2 3.43Å; K271-N275 PolarHBondContact O-OD1 2.84Å
272D68.5Low64Low75 Ų7567.2 Ų67.240%0.40133%0.33SS..Hα-helixtrans-73-33.7-179.9-59.1-42.9000112.4L268 S269 N275 L276L268-D272 HydrophobicContact CB-CB 4.45Å; S269-D272 VanDerWaalsContact CB-OD2 3.3Å; S269-D272 WeakPolarHBondContact CB-OD2 3.22Å; S269-D272 PolarHBondContact O-N 3.42Å; S269-D272 PolarHBondContact OG-N 3.32Å; S269-D272 PolarHBondContact OG-OD2 3.33Å; D272-N275 PolarHBondContact O-N 2.84Å; D272-L276 VanDerWaalsContact O-CB 3.23Å; D272-L276 WeakPolarHBondContact O-CB 3.33Å; D272-L276 PolarHBondContact O-N 3.2Å
273F68.2Low64.2Low17 Ų1768.1 Ų68.18%0.07534%0.335CS..Hα-helixtrans-66.5-39.4169.8177.3-119000112L253 L256 V261 I264 L268 S269 L276 T277L253-F273 HydrophobicContact CD2-CD1 4.05Å; L253-F273 HydrophobicContact CD2-CE1 3.82Å; L256-F273 HydrophobicContact CD1-CE1 3.56Å; L256-F273 HydrophobicContact CD1-CZ 3.58Å; V261-F273 HydrophobicContact CG1-CE1 4.45Å; V261-F273 HydrophobicContact CG2-CE1 4.21Å; I264-F273 HydrophobicContact CB-CD2 4.33Å; I264-F273 HydrophobicContact CB-CE2 4.44Å; I264-F273 HydrophobicContact CD1-CD2 4.28Å; I264-F273 HydrophobicContact CD1-CE2 3.59Å; I264-F273 HydrophobicContact CD1-CZ 3.89Å; I264-F273 HydrophobicContact CG2-CB 4.34Å; I264-F273 HydrophobicContact CG2-CD2 3.46Å; I264-F273 VanDerWaalsContact CG2-CD2 3.46Å; I264-F273 HydrophobicContact CG2-CE2 3.92Å; I264-F273 HydrophobicContact CG2-CG 3.94Å; L268-F273 HydrophobicContact CB-CB 4.39Å; S269-F273 PolarHBondContact O-N 2.95Å; F273-L276 PolarHBondContact O-N 2.94Å; F273-T277 VanDerWaalsContact O-CB 3.31Å; F273-T277 WeakPolarHBondContact O-CB 3.41Å; F273-T277 PolarHBondContact O-N 3.38Å; F273-T277 PolarHBondContact O-OG1 3.33Å
274S66.6Low64.5Low8 Ų869.1 Ų69.16%0.05634%0.336CS..Hα-helixtrans-61.3-44.7170.3145.40000111.6Y252 V270 K271 T277 R278Y252-S274 WeakPolarHBondContact OH-CB 3.48Å; Y252-S274 PolarHBondContact OH-OG 3.36Å; V270-S274 WeakPolarHBondContact O-CB 3.21Å; V270-S274 PolarHBondContact O-N 3.36Å; K271-S274 WeakPolarHBondContact O-CB 3.46Å; K271-S274 PolarHBondContact O-N 2.93Å; S274-T277 PolarHBondContact O-N 3.05Å; S274-R278 WeakPolarHBondContact O-CB 3.32Å; S274-R278 PolarHBondContact O-N 3.46Å
275N69.1Low65.1Low45 Ų4573.7 Ų73.724%0.24135%0.35CS..Hα-helixtrans-61.5-49.4175-67.6-24.3000111K271 D272 T277 R278 T279K271-N275 WeakPolarHBondContact O-CB 3.43Å; K271-N275 PolarHBondContact O-N 3.09Å; K271-N275 PolarHBondContact O-ND2 3.43Å; K271-N275 PolarHBondContact O-OD1 2.84Å; D272-N275 PolarHBondContact O-N 2.84Å; N275-T277 PolarHBondContact O-N 2.86Å; N275-R278 WeakPolarHBondContact O-CB 3.29Å; N275-R278 PolarHBondContact O-N 3.24Å; N275-R278 PolarHBondContact OD1-NH2 3.23Å; N275-T279 WeakPolarHBondContact O-CB 3.23Å; N275-T279 PolarHBondContact O-N 2.96Å; N275-T279 PolarHBondContact O-OG1 2.95Å; N275-T279 VanDerWaalsContact O-OG1 3.06Å
276L67.6Low65.6Low82 Ų8276.1 Ų76.143%0.42936%0.36SS..Hα-helixtrans-58.7-46.5176.5179.563.7000111.1L268 D272 F273 R278 T279 C280L268-L276 HydrophobicContact CD1-CD2 3.77Å; D272-L276 VanDerWaalsContact O-CB 3.23Å; D272-L276 WeakPolarHBondContact O-CB 3.33Å; D272-L276 PolarHBondContact O-N 3.2Å; F273-L276 PolarHBondContact O-N 2.94Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 2.88Å; L276-T279 PolarHBondContact O-N 3.35Å; L276-C280 WeakPolarHBondContact O-CB 3.38Å; L276-C280 PolarHBondContact O-N 3.29Å; L276-C280 PolarHBondContact O-SG 3.17Å
277T64.8Low66Low17 Ų1774.1 Ų74.110%0.10435%0.349CS..Hα-helixtrans-60.9-42.8177.8-57.60000111.3Y252 F273 S274 N275 K281 F333Y252-T277 HydrophobicContact CD2-CG2 3.8Å; Y252-T277 HydrophobicContact CE2-CG2 4.13Å; F273-T277 VanDerWaalsContact O-CB 3.31Å; F273-T277 WeakPolarHBondContact O-CB 3.41Å; F273-T277 PolarHBondContact O-N 3.38Å; F273-T277 PolarHBondContact O-OG1 3.33Å; S274-T277 PolarHBondContact O-N 3.05Å; N275-T277 PolarHBondContact O-N 2.86Å; T277-K281 WeakPolarHBondContact O-CB 3.3Å; T277-K281 PolarHBondContact O-N 3.44Å; T277-F333 HydrophobicContact CG2-CZ 4.19Å
278R65.7Low66.3Low147 Ų14771.6 Ų71.656%0.55535%0.349SS*.Hα-helixtrans-63.9-45.5173.9170.8167.850.4154-4.6112S274 N275 L276 K281 E282S274-R278 WeakPolarHBondContact O-CB 3.32Å; S274-R278 PolarHBondContact O-N 3.46Å; N275-R278 WeakPolarHBondContact O-CB 3.29Å; N275-R278 PolarHBondContact O-N 3.24Å; N275-R278 PolarHBondContact OD1-NH2 3.23Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 2.88Å; R278-K281 PolarHBondContact O-N 3.07Å; R278-E282 PolarHBondContact O-N 3.44Å
279T64.3Low66.9Low75 Ų7571.3 Ų71.346%0.4635%0.348SS..Hα-helixtrans-62.7-43.9176.1-63.30000111.4N275 L276 K281 E282 L283N275-T279 WeakPolarHBondContact O-CB 3.23Å; N275-T279 PolarHBondContact O-N 2.96Å; N275-T279 PolarHBondContact O-OG1 2.95Å; N275-T279 VanDerWaalsContact O-OG1 3.06Å; L276-T279 PolarHBondContact O-N 3.35Å; T279-K281 VanDerWaalsContact C-N 3.33Å; T279-K281 PolarHBondContact O-N 3.2Å; T279-E282 PolarHBondContact O-N 3.33Å; T279-L283 HydrophobicContact CG2-CD1 3.9Å; T279-L283 HydrophobicContact CG2-CG 4.33Å; T279-L283 WeakPolarHBondContact O-CB 3.48Å; T279-L283 VanDerWaalsContact O-CG 3.26Å; T279-L283 WeakPolarHBondContact O-CG 3.34Å; T279-L283 PolarHBondContact O-N 2.9Å
280C61.5Low67Low67 Ų6770 Ų7045%0.45334%0.343SS..Hα-helixtrans-62.1-39.9174.1-69.50000111.7L276 H284L276-C280 WeakPolarHBondContact O-CB 3.38Å; L276-C280 PolarHBondContact O-N 3.29Å; L276-C280 PolarHBondContact O-SG 3.17Å; C280-H284 WeakPolarHBondContact O-CB 3.32Å; C280-H284 PolarHBondContact O-N 3.3Å
281K64.4Low67.3Low79 Ų7974.8 Ų74.834%0.34337%0.367SS..Hα-helixtrans-66.6-38175.4-172.2171.6-175.3170.70112.2T277 R278 T279 H284 R285T277-K281 WeakPolarHBondContact O-CB 3.3Å; T277-K281 PolarHBondContact O-N 3.44Å; R278-K281 PolarHBondContact O-N 3.07Å; T279-K281 VanDerWaalsContact C-N 3.33Å; T279-K281 PolarHBondContact O-N 3.2Å; K281-H284 PolarHBondContact O-N 2.95Å; K281-R285 WeakPolarHBondContact O-CG 3.41Å; K281-R285 PolarHBondContact O-N 3.45Å
282E67.3Low67.5Low80 Ų8070.1 Ų70.137%0.37435%0.347SS..Hα-helixtrans-71.2-44.8176.5-142.463.7-162.400111.5R278 T279 H284 R285 H286R278-E282 PolarHBondContact O-N 3.44Å; T279-E282 PolarHBondContact O-N 3.33Å; E282-H284 PolarHBondContact O-N 3.25Å; E282-R285 WeakPolarHBondContact O-CB 3.29Å; E282-R285 PolarHBondContact O-N 3.42Å; E282-R285 VanDerWaalsContact O-N 3.11Å; E282-R285 IonicContact OE1-CZ 3.28Å; E282-R285 IonicContact OE1-NH1 2.71Å; E282-R285 PolarHBondContact OE1-NH1 2.71Å; E282-R285 IonicContact OE2-CZ 3.3Å; E282-R285 IonicContact OE2-NE 2.72Å; E282-R285 IonicContact OE2-NH1 3.04Å; E282-R285 PolarHBondContact OE2-NH1 2.87Å; E282-H286 PolarHBondContact O-CD2 2.75Å; E282-H286 VanDerWaalsContact O-CD2 3.29Å; E282-H286 PolarHBondContact O-N 3.31Å
283L63.7Low67.5Low66 Ų6668.9 Ų68.935%0.34634%0.337SS..Hα-helixtrans-59-36.1171.6-71.2170.5000112T279 H286 W287 F292 W293T279-L283 HydrophobicContact CG2-CD1 3.9Å; T279-L283 HydrophobicContact CG2-CG 4.33Å; T279-L283 WeakPolarHBondContact O-CB 3.48Å; T279-L283 VanDerWaalsContact O-CG 3.26Å; T279-L283 WeakPolarHBondContact O-CG 3.34Å; T279-L283 PolarHBondContact O-N 2.9Å; L283-H286 CarbonylContact O-C 3.55Å; L283-H286 PolarHBondContact O-N 3.47Å; L283-W287 PolarHBondContact O-N 3.5Å; L283-W287 VanDerWaalsContact O-N 3.12Å; L283-F292 HydrophobicContact CD2-CE1 4.08Å; L283-F292 HydrophobicContact CD2-CZ 4.02Å; L283-W293 HydrophobicContact CD2-CH2 4.02Å
284H61.3Low67.3Low69 Ų6970.2 Ų70.232%0.31934%0.342SS..Hα-helixtrans-70.4-32.1176.1-173.959.6000112.8C280 K281 E282 H286 W287C280-H284 WeakPolarHBondContact O-CB 3.32Å; C280-H284 PolarHBondContact O-N 3.3Å; K281-H284 PolarHBondContact O-N 2.95Å; E282-H284 PolarHBondContact O-N 3.25Å; H284-H286 PolarHBondContact O-N 2.91Å; H284-W287 WeakPolarHBondContact O-CB 3.42Å; H284-W287 PolarHBondContact O-N 2.82Å
285R72Confident67.4Low154 Ų15475.5 Ų75.558%0.58137%0.366SS*.Hα-helixtrans-62.5-31.8170.6-73.1168.2167.2171-2.3112.6K281 E282K281-R285 WeakPolarHBondContact O-CG 3.41Å; K281-R285 PolarHBondContact O-N 3.45Å; E282-R285 WeakPolarHBondContact O-CB 3.29Å; E282-R285 PolarHBondContact O-N 3.42Å; E282-R285 VanDerWaalsContact O-N 3.11Å; E282-R285 IonicContact OE1-CZ 3.28Å; E282-R285 IonicContact OE1-NH1 2.71Å; E282-R285 PolarHBondContact OE1-NH1 2.71Å; E282-R285 IonicContact OE2-CZ 3.3Å; E282-R285 IonicContact OE2-NE 2.72Å; E282-R285 IonicContact OE2-NH1 3.04Å; E282-R285 PolarHBondContact OE2-NH1 2.87Å
286H71.3Confident67.3Low56 Ų5675.9 Ų75.926%0.25937%0.367SS..THydrogen-bonded Turntrans-92.710.3174.3-65.2-75.5000112.9E282 L283 H284 D288 D289 F292 W293E282-H286 PolarHBondContact O-CD2 2.75Å; E282-H286 VanDerWaalsContact O-CD2 3.29Å; E282-H286 PolarHBondContact O-N 3.31Å; L283-H286 CarbonylContact O-C 3.55Å; L283-H286 PolarHBondContact O-N 3.47Å; H284-H286 PolarHBondContact O-N 2.91Å; H286-D288 PolarHBondContact O-N 2.62Å; H286-D289 HydrophobicContact CB-CB 4.15Å; H286-D289 IonicContact ND1-OD2 2.62Å; H286-D289 PolarHBondContact ND1-OD2 3.5Å; H286-D289 WeakPolarHBondContact O-CB 3.4Å; H286-D289 PolarHBondContact O-N 3.22Å; H286-F292 HydrophobicContact CB-CB 4.16Å; H286-F292 HydrophobicContact CB-CD1 3.47Å; H286-F292 VanDerWaalsContact CB-CD1 3.47Å; H286-F292 HydrophobicContact CB-CD2 4.07Å; H286-F292 HydrophobicContact CB-CE1 3.73Å; H286-F292 HydrophobicContact CB-CE2 4.28Å; H286-F292 HydrophobicContact CB-CG 3.65Å; H286-F292 HydrophobicContact CB-CZ 4.13Å; H286-F292 AromaticContact CD2-CE2 3.83Å; H286-F292 AromaticContact CG-CD2 3.68Å; H286-F292 AromaticContact CG-CE2 3.89Å; H286-F292 AromaticContact CG-CG 3.75Å; H286-F292 AromaticContact ND1-CD2 3.71Å; H286-F292 AromaticContact ND1-CG 3.86Å; H286-W293 PolarHBondContact O-NE1 3.15Å
287W66.5Low66.8Low73 Ų7375 Ų7528%0.27736%0.36SS..THydrogen-bonded Turntrans-56.6-49-174.7-170.1-88.7000112.2L283 H284 D289 W293 G315 P316 S317L283-W287 PolarHBondContact O-N 3.5Å; L283-W287 VanDerWaalsContact O-N 3.12Å; H284-W287 WeakPolarHBondContact O-CB 3.42Å; H284-W287 PolarHBondContact O-N 2.82Å; W287-D289 VanDerWaalsContact C-N 3.29Å; W287-D289 PolarHBondContact O-N 2.81Å; W287-W293 PolarHBondContact O-NE1 3.22Å; W287-G315 WeakPolarHBondContact O-CA 3.33Å; W287-P316 HydrophobicContact CE3-CG 4.04Å; W287-P316 HydrophobicContact CH2-CB 3.54Å; W287-P316 HydrophobicContact CH2-CG 3.66Å; W287-P316 HydrophobicContact CZ2-CB 3.92Å; W287-P316 HydrophobicContact CZ2-CG 4.14Å; W287-P316 HydrophobicContact CZ3-CB 4.01Å; W287-P316 HydrophobicContact CZ3-CG 3.58Å; W287-S317 PolarHBondContact NE1-OG 2.94Å
288D65.1Low66.7Low142 Ų14276 Ų7676%0.75937%0.368SS*.THydrogen-bonded Turntrans-84.1-2.8179.2-51.7-46.1000113H286 G290H286-D288 PolarHBondContact O-N 2.62Å; D288-G290 VanDerWaalsContact C-N 3.34Å; D288-G290 PolarHBondContact O-N 2.8Å
289D73.2Confident66.4Low61 Ų6174.2 Ų74.233%0.32636%0.361SS..  trans-8377.7179.2-174.2-7.4000110.2H286 W287 L291 F292 W293H286-D289 HydrophobicContact CB-CB 4.15Å; H286-D289 IonicContact ND1-OD2 2.62Å; H286-D289 PolarHBondContact ND1-OD2 3.5Å; H286-D289 WeakPolarHBondContact O-CB 3.4Å; H286-D289 PolarHBondContact O-N 3.22Å; W287-D289 VanDerWaalsContact C-N 3.29Å; W287-D289 PolarHBondContact O-N 2.81Å; D289-L291 PolarHBondContact O-N 2.86Å; D289-L291 PolarHBondContact OD1-N 2.87Å; D289-F292 HydrophobicContact CB-CB 3.9Å; D289-F292 WeakPolarHBondContact O-CB 3.44Å; D289-F292 PolarHBondContact O-N 3.02Å; D289-F292 VanDerWaalsContact O-N 3.07Å; D289-F292 PolarHBondContact OD1-N 2.94Å; D289-F292 WeakPolarHBondContact OD2-CB 3.31Å; D289-W293 PolarHBondContact O-N 2.82Å
290G70Confident65.9Low22 Ų2273.6 Ų73.623%0.22736%0.355CS..Hα-helixtrans-56.7-19.7176.800000113.9D288 K294D288-G290 VanDerWaalsContact C-N 3.34Å; D288-G290 PolarHBondContact O-N 2.8Å; G290-K294 VanDerWaalsContact O-CB 3.25Å; G290-K294 WeakPolarHBondContact O-CB 3.2Å; G290-K294 PolarHBondContact O-N 3.32Å
291L73.7Confident65.7Low110 Ų11077 Ų7758%0.57636%0.362SS*.Hα-helixtrans-81.3-38.3176.5-163.2147000111.5D289 K294 Q295D289-L291 PolarHBondContact O-N 2.86Å; D289-L291 PolarHBondContact OD1-N 2.87Å; L291-K294 WeakPolarHBondContact O-CB 3.46Å; L291-K294 PolarHBondContact O-N 2.72Å; L291-Q295 HydrophobicContact CD2-CG 4.31Å; L291-Q295 WeakPolarHBondContact O-CG 3.42Å; L291-Q295 PolarHBondContact O-N 2.86Å
292F73.6Confident65.3Low28 Ų2878.7 Ų78.712%0.12337%0.37CS..Hα-helixtrans-58.4-47.5165.9170.1-88.3000111.4L283 H286 D289 K294 Q295 M296L283-F292 HydrophobicContact CD2-CE1 4.08Å; L283-F292 HydrophobicContact CD2-CZ 4.02Å; H286-F292 HydrophobicContact CB-CB 4.16Å; H286-F292 HydrophobicContact CB-CD1 3.47Å; H286-F292 VanDerWaalsContact CB-CD1 3.47Å; H286-F292 HydrophobicContact CB-CD2 4.07Å; H286-F292 HydrophobicContact CB-CE1 3.73Å; H286-F292 HydrophobicContact CB-CE2 4.28Å; H286-F292 HydrophobicContact CB-CG 3.65Å; H286-F292 HydrophobicContact CB-CZ 4.13Å; H286-F292 AromaticContact CD2-CE2 3.83Å; H286-F292 AromaticContact CG-CD2 3.68Å; H286-F292 AromaticContact CG-CE2 3.89Å; H286-F292 AromaticContact CG-CG 3.75Å; H286-F292 AromaticContact ND1-CD2 3.71Å; H286-F292 AromaticContact ND1-CG 3.86Å; D289-F292 HydrophobicContact CB-CB 3.9Å; D289-F292 WeakPolarHBondContact O-CB 3.44Å; D289-F292 PolarHBondContact O-N 3.02Å; D289-F292 VanDerWaalsContact O-N 3.07Å; D289-F292 PolarHBondContact OD1-N 2.94Å; D289-F292 WeakPolarHBondContact OD2-CB 3.31Å; F292-K294 VanDerWaalsContact C-N 3.34Å; F292-K294 PolarHBondContact O-N 2.98Å; F292-Q295 PolarHBondContact O-N 2.82Å; F292-Q295 VanDerWaalsContact O-N 3.17Å; F292-M296 HydrophobicContact CD1-CG 4.15Å; F292-M296 HydrophobicContact CD2-CE 4.06Å; F292-M296 HydrophobicContact CE1-CE 4.37Å; F292-M296 HydrophobicContact CE1-CG 3.83Å; F292-M296 HydrophobicContact CE2-CE 3.33Å; F292-M296 HydrophobicContact CE2-CG 4.33Å; F292-M296 HydrophobicContact CZ-CE 3.52Å; F292-M296 HydrophobicContact CZ-CG 3.93Å; F292-M296 HydrophobicContact CZ-SD 4.38Å; F292-M296 WeakPolarHBondContact O-CG 3.43Å; F292-M296 PolarHBondContact O-N 3.28Å
293W67.2Low64.5Low49 Ų4977.6 Ų77.619%0.18637%0.368CS..Hα-helixtrans-65.2-37.3177-65.6106.7000112.2L283 H286 W287 D289 Q295 M296 F297 P316L283-W293 HydrophobicContact CD2-CH2 4.02Å; H286-W293 PolarHBondContact O-NE1 3.15Å; W287-W293 PolarHBondContact O-NE1 3.22Å; D289-W293 PolarHBondContact O-N 2.82Å; W293-Q295 PolarHBondContact O-N 2.85Å; W293-M296 PolarHBondContact O-N 3.39Å; W293-F297 WeakPolarHBondContact O-CB 3.39Å; W293-F297 PolarHBondContact O-N 3.49Å; W293-P316 HydrophobicContact CH2-CG 3.83Å; W293-P316 HydrophobicContact CZ2-CG 3.84Å; W293-P316 HydrophobicContact CZ3-CG 4.22Å
294K64.5Low63.7Low44 Ų4482.4 Ų82.419%0.19139%0.393CS..Hα-helixtrans-58.4-44.9170-176.9170.1-175.1167.20112G290 L291 F292 F297 S298 P307 F310G290-K294 VanDerWaalsContact O-CB 3.25Å; G290-K294 WeakPolarHBondContact O-CB 3.2Å; G290-K294 PolarHBondContact O-N 3.32Å; L291-K294 WeakPolarHBondContact O-CB 3.46Å; L291-K294 PolarHBondContact O-N 2.72Å; F292-K294 VanDerWaalsContact C-N 3.34Å; F292-K294 PolarHBondContact O-N 2.98Å; K294-F297 PolarHBondContact O-N 2.95Å; K294-S298 VanDerWaalsContact O-CB 3.3Å; K294-S298 WeakPolarHBondContact O-CB 3.21Å; K294-S298 PolarHBondContact O-N 3.01Å; K294-S298 PolarHBondContact O-OG 3.41Å; K294-P307 PolarHBondContact NZ-O 2.91Å; K294-F310 VanDerWaalsContact CA-CZ 3.44Å; K294-F310 HydrophobicContact CB-CD1 3.94Å; K294-F310 HydrophobicContact CB-CD2 4.06Å; K294-F310 HydrophobicContact CB-CE1 3.69Å; K294-F310 HydrophobicContact CB-CE2 3.82Å; K294-F310 HydrophobicContact CB-CG 4.13Å; K294-F310 HydrophobicContact CB-CZ 3.62Å; K294-F310 HydrophobicContact CD-CB 3.75Å; K294-F310 HydrophobicContact CD-CD1 3.9Å; K294-F310 HydrophobicContact CD-CD2 4.02Å; K294-F310 HydrophobicContact CD-CG 3.62Å; K294-F310 HydrophobicContact CG-CB 4.36Å; K294-F310 HydrophobicContact CG-CD1 4.07Å; K294-F310 HydrophobicContact CG-CD2 3.66Å; K294-F310 HydrophobicContact CG-CE1 4.27Å; K294-F310 HydrophobicContact CG-CE2 3.88Å; K294-F310 HydrophobicContact CG-CG 3.77Å; K294-F310 HydrophobicContact CG-CZ 4.18Å
295Q69.7Low63Low119 Ų11980.5 Ų80.556%0.55639%0.385SS*.Hα-helixtrans-66-43.8176.9-74178.32.200112.4L291 F292 W293 F297 S298 R299L291-Q295 HydrophobicContact CD2-CG 4.31Å; L291-Q295 WeakPolarHBondContact O-CG 3.42Å; L291-Q295 PolarHBondContact O-N 2.86Å; F292-Q295 PolarHBondContact O-N 2.82Å; F292-Q295 VanDerWaalsContact O-N 3.17Å; W293-Q295 PolarHBondContact O-N 2.85Å; Q295-F297 VanDerWaalsContact C-N 3.33Å; Q295-F297 PolarHBondContact O-N 3.3Å; Q295-S298 PolarHBondContact O-N 3.49Å; Q295-R299 VanDerWaalsContact O-CB 3.29Å; Q295-R299 WeakPolarHBondContact O-CB 3.34Å; Q295-R299 PolarHBondContact O-N 3.48Å
296M65.3Low61.8Low54 Ų5476 Ų7627%0.26638%0.376SS..Hα-helixtrans-61.8-42.3175.9-69.3-65.6162.200111.3F292 W293 R299 D300F292-M296 HydrophobicContact CD1-CG 4.15Å; F292-M296 HydrophobicContact CD2-CE 4.06Å; F292-M296 HydrophobicContact CE1-CE 4.37Å; F292-M296 HydrophobicContact CE1-CG 3.83Å; F292-M296 HydrophobicContact CE2-CE 3.33Å; F292-M296 HydrophobicContact CE2-CG 4.33Å; F292-M296 HydrophobicContact CZ-CE 3.52Å; F292-M296 HydrophobicContact CZ-CG 3.93Å; F292-M296 HydrophobicContact CZ-SD 4.38Å; F292-M296 WeakPolarHBondContact O-CG 3.43Å; F292-M296 PolarHBondContact O-N 3.28Å; W293-M296 PolarHBondContact O-N 3.39Å; M296-R299 PolarHBondContact O-N 2.77Å; M296-R299 PolarHBondContact SD-NH1 3.13Å; M296-R299 PolarHBondContact SD-NH2 2.98Å; M296-R299 VanDerWaalsContact SD-NH2 3.36Å; M296-D300 WeakPolarHBondContact O-CB 3.26Å; M296-D300 PolarHBondContact O-N 2.87Å
297F57.9Low60.7Low64 Ų6478.3 Ų78.328%0.28140%0.396SS..Hα-helixtrans-66.4-51176.2-171.5-92.5000111.8W293 K294 Q295 R299 D300 F301 V303 F310 I313W293-F297 WeakPolarHBondContact O-CB 3.39Å; W293-F297 PolarHBondContact O-N 3.49Å; K294-F297 PolarHBondContact O-N 2.95Å; Q295-F297 VanDerWaalsContact C-N 3.33Å; Q295-F297 PolarHBondContact O-N 3.3Å; F297-R299 PolarHBondContact O-N 2.63Å; F297-D300 PolarHBondContact O-N 2.78Å; F297-F301 HydrophobicContact CB-CD2 4.49Å; F297-F301 HydrophobicContact CD1-CD2 4.41Å; F297-F301 AromaticContact CD2-CD2 3.41Å; F297-F301 HydrophobicContact CD2-CD2 3.41Å; F297-F301 VanDerWaalsContact CD2-CD2 3.41Å; F297-F301 AromaticContact CD2-CE2 3.59Å; F297-F301 HydrophobicContact CD2-CE2 3.59Å; F297-F301 HydrophobicContact CD2-CG 4.39Å; F297-F301 AromaticContact CE2-CD2 3.58Å; F297-F301 HydrophobicContact CE2-CD2 3.58Å; F297-F301 AromaticContact CE2-CE2 3.73Å; F297-F301 HydrophobicContact CE2-CE2 3.73Å; F297-F301 HydrophobicContact CE2-CG 4.2Å; F297-F301 HydrophobicContact CE2-CZ 4.45Å; F297-F301 AromaticContact CG-CD2 3.87Å; F297-F301 HydrophobicContact CG-CD2 3.87Å; F297-F301 HydrophobicContact CG-CE2 4.42Å; F297-F301 HydrophobicContact CZ-CD2 4.16Å; F297-F301 HydrophobicContact CZ-CG 4.4Å; F297-F301 WeakPolarHBondContact O-CB 3.36Å; F297-F301 WeakPolarHBondContact O-CD2 3.33Å; F297-F301 PolarHBondContact O-N 2.83Å; F297-V303 HydrophobicContact CD1-CG2 4.29Å; F297-V303 HydrophobicContact CE1-CB 4.39Å; F297-V303 HydrophobicContact CE1-CG2 3.77Å; F297-F310 HydrophobicContact CB-CE2 4.29Å; F297-F310 HydrophobicContact CD1-CE2 4.16Å; F297-F310 HydrophobicContact CG-CE2 4.34Å; F297-I313 HydrophobicContact CD2-CD1 4.38Å; F297-I313 HydrophobicContact CE2-CD1 4.48Å
298S62.2Low59.8Low38 Ų3881.8 Ų81.827%0.26642%0.42SS..Hα-helixtrans-61.9-29.1175.8-78.70000112.9K294 Q295 K302 V303K294-S298 VanDerWaalsContact O-CB 3.3Å; K294-S298 WeakPolarHBondContact O-CB 3.21Å; K294-S298 PolarHBondContact O-N 3.01Å; K294-S298 PolarHBondContact O-OG 3.41Å; Q295-S298 PolarHBondContact O-N 3.49Å; S298-K302 CarbonylContact O-C 3.5Å; S298-K302 WeakPolarHBondContact O-CA 3.34Å; S298-K302 PolarHBondContact O-N 3.45Å; S298-K302 VanDerWaalsContact O-N 3.08Å; S298-V303 PolarHBondContact O-N 2.92Å; S298-V303 PolarHBondContact OG-O 3.18Å; S298-V303 VanDerWaalsContact OG-O 3.08Å
299R60.4Low58.8Low108 Ų10879.3 Ų79.341%0.40840%0.404SS..Hα-helixtrans-70.1-60.7170.4-177.8-162.670.1-152.9-8.2111.4Q295 M296 F297 F301 K302Q295-R299 VanDerWaalsContact O-CB 3.29Å; Q295-R299 WeakPolarHBondContact O-CB 3.34Å; Q295-R299 PolarHBondContact O-N 3.48Å; M296-R299 PolarHBondContact O-N 2.77Å; M296-R299 PolarHBondContact SD-NH1 3.13Å; M296-R299 PolarHBondContact SD-NH2 2.98Å; M296-R299 VanDerWaalsContact SD-NH2 3.36Å; F297-R299 PolarHBondContact O-N 2.63Å; R299-F301 VanDerWaalsContact C-N 3.31Å; R299-F301 PolarHBondContact O-N 2.88Å; R299-K302 PolarHBondContact O-N 2.83Å
300D53.3Low57.4Low62 Ų6277.8 Ų77.833%0.33240%0.395SS..Hα-helixtrans-71.9-25.6-169-72.1-31.8000113.4M296 F297 R366M296-D300 WeakPolarHBondContact O-CB 3.26Å; M296-D300 PolarHBondContact O-N 2.87Å; F297-D300 PolarHBondContact O-N 2.78Å; D300-R366 IonicContact OD1-CZ 2.69Å; D300-R366 IonicContact OD1-NH1 3.43Å; D300-R366 IonicContact OD1-NH2 2.78Å; D300-R366 PolarHBondContact OD1-NH2 3.21Å
301F56.4Low56.2Low138 Ų13881.5 Ų81.561%0.60542%0.415SS*.THydrogen-bonded Turntrans-109.41.6178.1-59.8-82.1000113.4F297 R299 V303F297-F301 HydrophobicContact CB-CD2 4.49Å; F297-F301 HydrophobicContact CD1-CD2 4.41Å; F297-F301 AromaticContact CD2-CD2 3.41Å; F297-F301 HydrophobicContact CD2-CD2 3.41Å; F297-F301 VanDerWaalsContact CD2-CD2 3.41Å; F297-F301 AromaticContact CD2-CE2 3.59Å; F297-F301 HydrophobicContact CD2-CE2 3.59Å; F297-F301 HydrophobicContact CD2-CG 4.39Å; F297-F301 AromaticContact CE2-CD2 3.58Å; F297-F301 HydrophobicContact CE2-CD2 3.58Å; F297-F301 AromaticContact CE2-CE2 3.73Å; F297-F301 HydrophobicContact CE2-CE2 3.73Å; F297-F301 HydrophobicContact CE2-CG 4.2Å; F297-F301 HydrophobicContact CE2-CZ 4.45Å; F297-F301 AromaticContact CG-CD2 3.87Å; F297-F301 HydrophobicContact CG-CD2 3.87Å; F297-F301 HydrophobicContact CG-CE2 4.42Å; F297-F301 HydrophobicContact CZ-CD2 4.16Å; F297-F301 HydrophobicContact CZ-CG 4.4Å; F297-F301 WeakPolarHBondContact O-CB 3.36Å; F297-F301 WeakPolarHBondContact O-CD2 3.33Å; F297-F301 PolarHBondContact O-N 2.83Å; R299-F301 VanDerWaalsContact C-N 3.31Å; R299-F301 PolarHBondContact O-N 2.88Å; F301-V303 HydrophobicContact CB-CG2 3.54Å; F301-V303 WeakPolarHBondContact O-CG2 3.36Å; F301-V303 PolarHBondContact O-N 3.1Å
302K55.9Low54.7Low116 Ų11678.9 Ų78.950%0.50441%0.414SS..  trans48.729.6-178.9-65.3-164.3174.9-169.70114.9S298 R299 I304 E364S298-K302 CarbonylContact O-C 3.5Å; S298-K302 WeakPolarHBondContact O-CA 3.34Å; S298-K302 PolarHBondContact O-N 3.45Å; S298-K302 VanDerWaalsContact O-N 3.08Å; R299-K302 PolarHBondContact O-N 2.83Å; K302-I304 PolarHBondContact O-N 2.83Å; K302-E364 WeakPolarHBondContact CE-OE2 3.24Å; K302-E364 IonicContact NZ-OE2 3.71Å; K302-E364 PolarHBondContact NZ-OE2 2.91Å; K302-E364 VanDerWaalsContact NZ-OE2 3.16Å
303V51.2Low53.3Low57 Ų5778.8 Ų78.835%0.34542%0.415SS..  trans-80.6114.4-173.2-159.50000110.2F297 S298 F301 V305F297-V303 HydrophobicContact CD1-CG2 4.29Å; F297-V303 HydrophobicContact CE1-CB 4.39Å; F297-V303 HydrophobicContact CE1-CG2 3.77Å; S298-V303 PolarHBondContact O-N 2.92Å; S298-V303 PolarHBondContact OG-O 3.18Å; S298-V303 VanDerWaalsContact OG-O 3.08Å; F301-V303 HydrophobicContact CB-CG2 3.54Å; F301-V303 WeakPolarHBondContact O-CG2 3.36Å; F301-V303 PolarHBondContact O-N 3.1Å; V303-V305 HydrophobicContact CB-CG2 3.71Å; V303-V305 HydrophobicContact CG1-CB 4.45Å; V303-V305 HydrophobicContact CG1-CG2 3.36Å; V303-V305 PolarHBondContact O-N 3.03Å
304I48Very low52.1Low167 Ų16778.1 Ų78.186%0.85642%0.423SS*.  trans-72.270.1161.1-49.5174.1000107.2K302 P306K302-I304 PolarHBondContact O-N 2.83Å; I304-P306 WeakPolarHBondContact O-CD 3.15Å
305V46.8Very low51.1Low28 Ų2876 Ų7617%0.1741%0.414CS..  trans-74.9126.3168.2-162.90000106.7V303 E309 F310V303-V305 HydrophobicContact CB-CG2 3.71Å; V303-V305 HydrophobicContact CG1-CB 4.45Å; V303-V305 HydrophobicContact CG1-CG2 3.36Å; V303-V305 PolarHBondContact O-N 3.03Å; V305-E309 HydrophobicContact CG1-CB 3.66Å; V305-E309 WeakPolarHBondContact CG1-O 3.44Å; V305-F310 HydrophobicContact CG1-CB 4.45Å
306P46.6Very low49.8Very low59 Ų5971.7 Ų71.738%0.38340%0.396SS..  trans-48.5148.5165.6-26.234.4000110.5I304 D308 E309I304-P306 WeakPolarHBondContact O-CD 3.15Å; P306-D308 PolarHBondContact O-N 2.87Å; P306-E309 HydrophobicContact CB-CB 4.33Å; P306-E309 HydrophobicContact CG-CB 4.39Å; P306-E309 PolarHBondContact O-N 2.89Å
307P46.7Very low48.7Very low105 Ų10571.9 Ų71.968%0.68240%0.403SS*.G310 helixtrans-50.2-35.4-177.615.6-28.6000112.8K294K294-P307 PolarHBondContact NZ-O 2.91Å
308D48.1Very low48Very low147 Ų14773.1 Ų73.179%0.78641%0.412SS*.G310 helixtrans-86-12.8-175.2-48.8-52.3000115.5P306P306-D308 PolarHBondContact O-N 2.87Å
309E44.4Very low46.9Very low90 Ų9076.9 Ų76.942%0.42143%0.429SS..G310 helixtrans-103.34.4-173.4-89.3-168.9166.300114.6V305 P306 P311 V349V305-E309 HydrophobicContact CG1-CB 3.66Å; V305-E309 WeakPolarHBondContact CG1-O 3.44Å; P306-E309 HydrophobicContact CB-CB 4.33Å; P306-E309 HydrophobicContact CG-CB 4.39Å; P306-E309 PolarHBondContact O-N 2.89Å; E309-P311 WeakPolarHBondContact O-CD 3.22Å; E309-P311 VanDerWaalsContact O-N 3.09Å; E309-V349 HydrophobicContact CG-CG1 4.43Å; E309-V349 HydrophobicContact CG-CG2 4.42Å
310F42.6Very low45.6Very low28 Ų2877.5 Ų77.512%0.12344%0.436CS..  trans-64.6115.8172.4-174.2-112.4000108.3K294 F297 V305 G312 I313K294-F310 VanDerWaalsContact CA-CZ 3.44Å; K294-F310 HydrophobicContact CB-CD1 3.94Å; K294-F310 HydrophobicContact CB-CD2 4.06Å; K294-F310 HydrophobicContact CB-CE1 3.69Å; K294-F310 HydrophobicContact CB-CE2 3.82Å; K294-F310 HydrophobicContact CB-CG 4.13Å; K294-F310 HydrophobicContact CB-CZ 3.62Å; K294-F310 HydrophobicContact CD-CB 3.75Å; K294-F310 HydrophobicContact CD-CD1 3.9Å; K294-F310 HydrophobicContact CD-CD2 4.02Å; K294-F310 HydrophobicContact CD-CG 3.62Å; K294-F310 HydrophobicContact CG-CB 4.36Å; K294-F310 HydrophobicContact CG-CD1 4.07Å; K294-F310 HydrophobicContact CG-CD2 3.66Å; K294-F310 HydrophobicContact CG-CE1 4.27Å; K294-F310 HydrophobicContact CG-CE2 3.88Å; K294-F310 HydrophobicContact CG-CG 3.77Å; K294-F310 HydrophobicContact CG-CZ 4.18Å; F297-F310 HydrophobicContact CB-CE2 4.29Å; F297-F310 HydrophobicContact CD1-CE2 4.16Å; F297-F310 HydrophobicContact CG-CE2 4.34Å; V305-F310 HydrophobicContact CG1-CB 4.45Å; F310-G312 PolarHBondContact O-N 2.81Å; F310-I313 HydrophobicContact CE1-CB 4.15Å; F310-I313 HydrophobicContact CZ-CB 3.87Å; F310-I313 HydrophobicContact CZ-CD1 4.37Å; F310-I313 HydrophobicContact CZ-CG1 4.11Å
311P45.6Very low44.8Very low100 Ų10080.4 Ų80.465%0.64946%0.459SS*.  trans-77.381-174.731.9-32.5000107.1E309 I313E309-P311 WeakPolarHBondContact O-CD 3.22Å; E309-P311 VanDerWaalsContact O-N 3.09Å; P311-I313 WeakPolarHBondContact O-CG1 3.24Å; P311-I313 PolarHBondContact O-N 2.91Å
312G42.2Very low43.8Very low55 Ų5579.6 Ų79.657%0.56746%0.459SS*.  trans-37.189.2-152.200000115.1F310 G314F310-G312 PolarHBondContact O-N 2.81Å; G312-G314 PolarHBondContact O-N 3.13Å
313I43.4Very low42.7Very low27 Ų2776.3 Ų76.314%0.13845%0.447CS..  trans-7189.6172.1-55.7179.6000105.6F297 F310 P311 G315 D318F297-I313 HydrophobicContact CD2-CD1 4.38Å; F297-I313 HydrophobicContact CE2-CD1 4.48Å; F310-I313 HydrophobicContact CE1-CB 4.15Å; F310-I313 HydrophobicContact CZ-CB 3.87Å; F310-I313 HydrophobicContact CZ-CD1 4.37Å; F310-I313 HydrophobicContact CZ-CG1 4.11Å; P311-I313 WeakPolarHBondContact O-CG1 3.24Å; P311-I313 PolarHBondContact O-N 2.91Å; I313-G315 VanDerWaalsContact CG2-O 3.27Å; I313-G315 WeakPolarHBondContact CG2-O 3.5Å; I313-G315 PolarHBondContact O-N 2.96Å; I313-D318 WeakPolarHBondContact CA-OD2 3.12Å; I313-D318 HydrophobicContact CG2-CB 4.38Å
314G44Very low42Very low35 Ų3581.4 Ų81.436%0.36147%0.472SS..  trans-7353.9176.100000110.8G312 D318G312-G314 PolarHBondContact O-N 3.13Å; G314-D318 PolarHBondContact N-OD2 3.21Å
315G41.5Very low41.2Very low0 Ų076.8 Ų76.80%045%0.452CS..SBendtrans80.7178-16800000114.1W287 I313 S317 D318W287-G315 WeakPolarHBondContact O-CA 3.33Å; I313-G315 VanDerWaalsContact CG2-O 3.27Å; I313-G315 WeakPolarHBondContact CG2-O 3.5Å; I313-G315 PolarHBondContact O-N 2.96Å; G315-S317 PolarHBondContact O-N 3.17Å; G315-D318 PolarHBondContact O-N 2.6Å
316P43.9Very low40.6Very low27 Ų2781 Ų8118%0.17548%0.479CS..G310 helixtrans-64.2-1.6-177.8-22.234.3000115.2W287 W293 D318 L319W287-P316 HydrophobicContact CE3-CG 4.04Å; W287-P316 HydrophobicContact CH2-CB 3.54Å; W287-P316 HydrophobicContact CH2-CG 3.66Å; W287-P316 HydrophobicContact CZ2-CB 3.92Å; W287-P316 HydrophobicContact CZ2-CG 4.14Å; W287-P316 HydrophobicContact CZ3-CB 4.01Å; W287-P316 HydrophobicContact CZ3-CG 3.58Å; W293-P316 HydrophobicContact CH2-CG 3.83Å; W293-P316 HydrophobicContact CZ2-CG 3.84Å; W293-P316 HydrophobicContact CZ3-CG 4.22Å; P316-D318 PolarHBondContact O-N 3.15Å; P316-L319 HydrophobicContact CB-CD1 4.2Å; P316-L319 WeakPolarHBondContact O-CB 3.43Å; P316-L319 PolarHBondContact O-N 2.99Å; P316-L319 VanDerWaalsContact O-N 3.15Å
317S41.3Very low40Very low58 Ų5885.7 Ų85.741%0.40649%0.491SS..G310 helixtrans-49.5-44.4166.8-45.90000111.4W287 G315 L319 H320W287-S317 PolarHBondContact NE1-OG 2.94Å; G315-S317 PolarHBondContact O-N 3.17Å; S317-L319 VanDerWaalsContact C-N 3.28Å; S317-L319 PolarHBondContact O-N 3.08Å; S317-H320 PolarHBondContact O-N 2.85Å
318D43.4Very low39.2Very low90 Ų9090.3 Ų90.348%0.48150%0.495SS..G310 helixtrans-78-10.3-177.5-58.8-50.8000113.9I313 G314 G315 P316 H320I313-D318 WeakPolarHBondContact CA-OD2 3.12Å; I313-D318 HydrophobicContact CG2-CB 4.38Å; G314-D318 PolarHBondContact N-OD2 3.21Å; G315-D318 PolarHBondContact O-N 2.6Å; P316-D318 PolarHBondContact O-N 3.15Å; D318-H320 PolarHBondContact O-N 2.67Å
319L40.2Very low38.5Very low118 Ų11887.3 Ų87.362%0.61848%0.478SS*.G310 helixtrans-78.3-4.1172.1-62.9176.7000112.5P316 S317P316-L319 HydrophobicContact CB-CD1 4.2Å; P316-L319 WeakPolarHBondContact O-CB 3.43Å; P316-L319 PolarHBondContact O-N 2.99Å; P316-L319 VanDerWaalsContact O-N 3.15Å; S317-L319 VanDerWaalsContact C-N 3.28Å; S317-L319 PolarHBondContact O-N 3.08Å
320H33Very low37.9Very low120 Ų12087.5 Ų87.556%0.55649%0.487SS*.  trans-129.988.1174.9-86-65.7000112.6S317 D318 I322 L323S317-H320 PolarHBondContact O-N 2.85Å; D318-H320 PolarHBondContact O-N 2.67Å; H320-I322 PolarHBondContact O-N 3.05Å; H320-L323 HydrophobicContact CB-CB 4.39Å; H320-L323 HydrophobicContact CB-CD1 4.24Å; H320-L323 PolarHBondContact O-N 2.87Å
321P35.5Very low37.4Very low124 Ų12491.9 Ų91.981%0.80551%0.512SS*.THydrogen-bonded Turntrans-60.91.4178-22.532.4000116.6
322I36.3Very low37.1Very low121 Ų12190.8 Ų90.862%0.62150%0.5SS*.THydrogen-bonded Turntrans-118.13.6-170.8-68.8173.6000111.1T88 H320T88-I322 HydrophobicContact CG2-CG2 4.11Å; T88-I322 WeakPolarHBondContact OG1-CG2 3.45Å; T88-I322 PolarHBondContact OG1-O 2.87Å; H320-I322 PolarHBondContact O-N 3.05Å
323L31.8Very low36.8Very low46 Ų4690.5 Ų90.524%0.24148%0.483CS..  trans-129.857.9-179-66.6171.3000111.4T88 K89 H320 V325 Y327T88-L323 HydrophobicContact CG2-CD2 4.32Å; K89-L323 HydrophobicContact CG-CD2 4.45Å; H320-L323 HydrophobicContact CB-CB 4.39Å; H320-L323 HydrophobicContact CB-CD1 4.24Å; H320-L323 PolarHBondContact O-N 2.87Å; L323-V325 PolarHBondContact O-N 2.64Å; L323-Y327 HydrophobicContact CD1-CD2 4.35Å; L323-Y327 HydrophobicContact CD1-CE2 4.03Å
324D35.5Very low36.3Very low165 Ų16593.8 Ų93.888%0.88251%0.506SS*.  trans-72.953.3171.3-161.618.4000112
325V32.7Very low35.9Very low69 Ų6995.6 Ų95.642%0.41851%0.513SS..SBendtrans-145.7120.4177172.30000105.2K89 L323 Y327K89-V325 HydrophobicContact CD-CB 4.21Å; K89-V325 HydrophobicContact CD-CG1 4.28Å; K89-V325 HydrophobicContact CD-CG2 3.98Å; K89-V325 VanDerWaalsContact NZ-CB 3.34Å; L323-V325 PolarHBondContact O-N 2.64Å; V325-Y327 PolarHBondContact O-N 3.41Å
326P33Very low35.9Very low116 Ų116101.4 Ų101.475%0.75355%0.551SS**  trans-53.7118.1-173.921.7-33.5000109.5R328P326-R328 PolarHBondContact O-N 2.71Å
327Y34.1Very low35.5Very low158 Ų158111.2 Ų111.262%0.6258%0.584SS**  trans-76.663.7177.4-133.9-78.4000108.8L323 V325 L329L323-Y327 HydrophobicContact CD1-CD2 4.35Å; L323-Y327 HydrophobicContact CD1-CE2 4.03Å; V325-Y327 PolarHBondContact O-N 3.41Å; Y327-L329 VanDerWaalsContact C-N 3.31Å; Y327-L329 PolarHBondContact O-N 2.86Å
328R30.1Very low35.2Very low203 Ų203113.3 Ų113.377%0.76661%0.605SS**  trans-59.2105.6156.6-75.1-163.2-178.6-170.12.8105.7P326P326-R328 PolarHBondContact O-N 2.71Å
329L32.8Very low34.4Very low83 Ų83112.2 Ų112.244%0.43562%0.615SS.*  trans-46.1131.7147-81.6120.7000105.9Y327 D331Y327-L329 VanDerWaalsContact C-N 3.31Å; Y327-L329 PolarHBondContact O-N 2.86Å; L329-D331 PolarHBondContact O-N 3.24Å
330P31.8Very low33.9Very low95 Ų95112.6 Ų112.662%0.61762%0.624SS**  trans-52.1144.516824.8-33.1000107.7I332P330-I332 HydrophobicContact CG-CD1 4.08Å; P330-I332 HydrophobicContact CG-CG1 4.35Å; P330-I332 WeakPolarHBondContact O-CG1 3.16Å; P330-I332 PolarHBondContact O-N 3.17Å
331D34.1Very low33.7Very low119 Ų119113.2 Ų113.264%0.63664%0.637SS**SBendtrans-67.561.3-171.1-68.2-64.8000113.2L329 F333L329-D331 PolarHBondContact O-N 3.24Å; D331-F333 PolarHBondContact O-N 2.64Å
332I37.6Very low33.2Very low77 Ų77116.8 Ų116.840%0.39564%0.64SS.*SBendtrans-65.9-27.2167-61.8163.2000109P330P330-I332 HydrophobicContact CG-CD1 4.08Å; P330-I332 HydrophobicContact CG-CG1 4.35Å; P330-I332 WeakPolarHBondContact O-CG1 3.16Å; P330-I332 PolarHBondContact O-N 3.17Å
333F36.7Very low33Very low50 Ų50116.9 Ų116.922%0.21965%0.649CS.*SBendtrans-122.597.8174-51.6-64.4000108.7T277 D331 S335T277-F333 HydrophobicContact CG2-CZ 4.19Å; D331-F333 PolarHBondContact O-N 2.64Å; F333-S335 PolarHBondContact O-N 3.47Å
334P31.9Very low32.8Very low95 Ų95120.5 Ų120.562%0.61768%0.678SS**  trans-60113.817422.2-32.1000109.9P336P334-P336 WeakPolarHBondContact O-CD 3.49Å
335S36.3Very low32.3Very low73 Ų73119.8 Ų119.851%0.5167%0.671SS.*  trans-69.1123.2175.4-84.90000110.1F333 R337F333-S335 PolarHBondContact O-N 3.47Å; S335-R337 PolarHBondContact O-N 3.44Å; S335-R337 VanDerWaalsContact O-N 3.09Å
336P41.1Very low32.1Very low122 Ų122127.9 Ų127.979%0.79269%0.694SS**SBendtrans-69.2-8.6-172.7-23.734.9000116.1P334P334-P336 WeakPolarHBondContact O-CD 3.49Å
337R36.2Very low31.8Very low234 Ų234126.2 Ų126.288%0.88370%0.697SS**  trans-151.8116.1-174.2-67.6-174.8175.6175.6-2.7111.9S335S335-R337 PolarHBondContact O-N 3.44Å; S335-R337 VanDerWaalsContact O-N 3.09Å
338A34Very low31.4Very low101 Ų101130.7 Ų130.784%0.83571%0.713SS**  trans-155.391.1157.200000109.3
339G26.8Very low31.4Very low67 Ų67125.9 Ų125.969%0.69171%0.706SS**  trans-80175.916300000111.1
340P31.3Very low31.3Very low126 Ų126127.2 Ų127.282%0.81872%0.72SS**  trans-71.4153.3-166.827.1-34.6000115.8
341T27.5Very low31Very low134 Ų134126.7 Ų126.782%0.82273%0.732SS**  trans-72.7153.3-169.3-29.50000115.4
342F26.3Very low30.7Very low198 Ų198124.5 Ų124.587%0.86874%0.737SS**  trans-131.9138.4162.6-77.9-82.5000111.5
343P31.5Very low30.3Very low124 Ų124127.4 Ų127.481%0.80576%0.761SS**  trans-109.4153.6-174.239.3-33.3000115.4
344S28.1Very low29.9Very low121 Ų121136.2 Ų136.285%0.84679%0.793SS**  trans-165.7176.1170.7-164.20000111.9
345M25.1Very low29.8Very low150 Ų150142.5 Ų142.574%0.73981%0.806SS**  -159.5115.3-92.5-105.5-75.6-161.500113.3
346R26.9Very low29.4Very low240 Ų240145.5 Ų145.591%0.90682%0.816SS**  trans56.3131.7157.1-63.8176.2178.8-153.8-1121.2
347G27.5Very low29.1Very low80 Ų80145.2 Ų145.283%0.82582%0.815SS**  trans-167.6150.215900000111.7
348R26.6Very low29.3Very low252 Ų252139.2 Ų139.295%0.95181%0.806SS**  trans-112146.3-177.1-74.6-174176-161.8-0.6112.4
349V29.2Very low29.3Very low102 Ų102143.6 Ų143.662%0.61881%0.806SS**  trans-115.5131.3174.6-178.70000111.1E309E309-V349 HydrophobicContact CG-CG1 4.43Å; E309-V349 HydrophobicContact CG-CG2 4.42Å
350P31.4Very low30.1Very low111 Ų111144.7 Ų144.772%0.72180%0.801SS**  trans-106139.8162.921.9-4000112.1
351G25.6Very low30.3Very low85 Ų85146.3 Ų146.388%0.87680%0.802SS**  trans-88.7160.3-172.600000116.8
352G27.6Very low30.9Very low72 Ų72144.2 Ų144.274%0.74279%0.785SS**  trans-157.3158.7172.700000112
353P29.3Very low31.4Very low138 Ų138140 Ų14090%0.89678%0.778SS**  trans-91.4159.4-15934.8-36.6000116.8
354R27.7Very low32.4Very low236 Ų236139.8 Ų139.889%0.89177%0.766SS**  trans-77.8150-177.8-60.8169.4171.4165.6-5.5114.1
355Y29.3Very low32.7Very low226 Ų226136.8 Ų136.889%0.88675%0.754SS**  trans-154138.9140.1-149.5-91.5000112.1
356D28.5Very low33.2Very low136 Ų136137.5 Ų137.573%0.72775%0.749SS**PPolyproline II helixtrans-95.1137.1-177-65.5-62.7000112.6
357P34.3Very low33.6Very low117 Ų117133.2 Ų133.276%0.7674%0.742SS**PPolyproline II helixtrans-90.2153.8162.434.3-31.4000112.3
358P42.1Very low33.9Very low108 Ų108139.1 Ų139.170%0.70174%0.74SS**PPolyproline II helixtrans-101.4131.7-165.837.3-31.6000114.2
359F32.1Very low34.3Very low192 Ų192134.5 Ų134.584%0.84273%0.733SS**  trans77.2150.7168.7-60.4-70.8000117.9
360P44.1Very low34.5Very low90 Ų90137.5 Ų137.558%0.58474%0.74SS**  trans-124.8166.6-137.542-29.7000115
361I36.7Very low34.9Very low161 Ų161137.6 Ų137.683%0.82674%0.741SS**  trans-123.1127162.2-63.1178.3000109.1
362D38.8Very low35.3Very low89 Ų89140.1 Ų140.148%0.47674%0.742SS.*  trans-115.3113.7-178.8177.621.4000110.3E364 G365D362-E364 PolarHBondContact OD1-N 2.89Å; D362-G365 PolarHBondContact OD1-N 3.07Å; D362-G365 PolarHBondContact OD2-N 3.11Å
363P38Very low35.9Very low111 Ų111140.3 Ų140.372%0.72174%0.743SS**SBendtrans-1067.5167.737.1-30.4000113.8
364E52.9Low36.3Very low118 Ų118145.1 Ų145.155%0.55174%0.744SS**SBendtrans-116.32.5-175.2-68.4176.6137.700113.9K302 D362 R366K302-E364 WeakPolarHBondContact CE-OE2 3.24Å; K302-E364 IonicContact NZ-OE2 3.71Å; K302-E364 PolarHBondContact NZ-OE2 2.91Å; K302-E364 VanDerWaalsContact NZ-OE2 3.16Å; D362-E364 PolarHBondContact OD1-N 2.89Å; E364-R366 PolarHBondContact O-N 3.48Å
365G32.4Very low36.8Very low58 Ų58145.3 Ų145.360%0.59874%0.744SS**  trans69.434.5155.800000115.5D362 I367D362-G365 PolarHBondContact OD1-N 3.07Å; D362-G365 PolarHBondContact OD2-N 3.11Å; G365-I367 PolarHBondContact O-N 3.24Å; G365-I367 VanDerWaalsContact O-N 3.15Å
366R37.1Very low37.4Very low165 Ų165142.7 Ų142.762%0.62374%0.74SS**  trans-77.9102.1173.9-72.7-167-178.9178.55.3110.3D300 E364 R368D300-R366 IonicContact OD1-CZ 2.69Å; D300-R366 IonicContact OD1-NH1 3.43Å; D300-R366 IonicContact OD1-NH2 2.78Å; D300-R366 PolarHBondContact OD1-NH2 3.21Å; E364-R366 PolarHBondContact O-N 3.48Å; R366-R368 PolarHBondContact O-N 2.77Å; R366-R368 VanDerWaalsContact O-N 3.11Å
367I34.7Very low38Very low151 Ų151142 Ų14277%0.77474%0.743SS**  trans-47.1112-179.2-59.6168.8000111.5G365 L369G365-I367 PolarHBondContact O-N 3.24Å; G365-I367 VanDerWaalsContact O-N 3.15Å; I367-L369 HydrophobicContact CG2-CD2 4.44Å; I367-L369 PolarHBondContact O-N 3.24Å
368R34.4Very low38.2Very low204 Ų204147.5 Ų147.577%0.7775%0.749SS**  trans-76.198.4168.4-76-173.7174.4-172.9-1.5110.2R366 Q370R366-R368 PolarHBondContact O-N 2.77Å; R366-R368 VanDerWaalsContact O-N 3.11Å; R368-Q370 PolarHBondContact O-N 3.23Å
369L33.3Very low38.2Very low154 Ų154148.3 Ų148.381%0.80675%0.754SS**PPolyproline II helixtrans-67.2122.4160.2-65.2174.1000108.5I367I367-L369 HydrophobicContact CG2-CD2 4.44Å; I367-L369 PolarHBondContact O-N 3.24Å
370Q34.8Very low38.6Very low165 Ų165144.5 Ų144.577%0.77174%0.742SS**PPolyproline II helixtrans-69131.9177.6-68-171.711.300110.2R368R368-Q370 PolarHBondContact O-N 3.23Å
371P39.3Very low38.7Very low113 Ų113144.9 Ų144.973%0.73474%0.744SS**PPolyproline II helixtrans-61.2143.7172.8-22.733.7000111.3G373P371-G373 PolarHBondContact O-N 2.89Å
372P34.5Very low38.8Very low139 Ų139144.7 Ų144.790%0.90375%0.745SS**THydrogen-bonded Turntrans-62.7129.2-177.1-20.231.8000112.2
373G39.9Very low38.8Very low75 Ų75145.2 Ų145.277%0.77376%0.756SS**THydrogen-bonded Turntrans119.3-2.9157.200000119.1P371P371-G373 PolarHBondContact O-N 2.89Å
374R38.3Very low38.4Very low239 Ų239149.1 Ų149.190%0.90276%0.758SS**  trans-88.8111.6173.6-77.8-166.9174.9-167.3-0.7112.2
375R37.6Very low37.7Very low240 Ų240153.1 Ų153.191%0.90677%0.773SS**PPolyproline II helixtrans-60.4142.8174.6-64.4176.6175.7178.7-2.7110.7
376H41.7Very low37.7Very low171 Ų171154.6 Ų154.679%0.79277%0.773SS**PPolyproline II helixtrans-55.5139.2176.3-70.9-88.8000111.9
377P41.9Very low37.7Very low121 Ų121152.2 Ų152.279%0.78678%0.779SS**PPolyproline II helixtrans-59.4151163.1-1932.4000110.7
378R38.4Very low37.8Very low234 Ų234155 Ų15588%0.88379%0.785SS**PPolyproline II helixtrans-68.9149.5173.2-73-178.4172.8-178.7-2.9110.2
379P41.2Very low37.8Very low124 Ų124157.1 Ų157.181%0.80581%0.811SS**PPolyproline II helixtrans-64.7130.5168.3-10.326.3000108.5
380D40.6Very low38.1Very low112 Ų112157.3 Ų157.360%0.59981%0.811SS**  803451.8-41.69.2000113.6D382 S383D380-D382 PolarHBondContact O-N 2.75Å; D380-D382 VanDerWaalsContact O-N 3.14Å; D380-S383 VanDerWaalsContact O-CB 3.32Å; D380-S383 WeakPolarHBondContact O-CB 3.48Å; D380-S383 PolarHBondContact O-N 2.94Å; D380-S383 PolarHBondContact O-OG 2.88Å
381P46.1Very low38.2Very low98 Ų98156.9 Ų156.964%0.63681%0.813SS**THydrogen-bonded Turntrans-65.6-22-164.528.2-33.6000114.1S383P381-S383 VanDerWaalsContact C-N 3.27Å; P381-S383 PolarHBondContact O-N 2.93Å
382D38.9Very low38.2Very low157 Ų157159.3 Ų159.384%0.8482%0.818SS**THydrogen-bonded Turntrans-81.8-2.9176.4-62.6-31000113.3D380 Y384D380-D382 PolarHBondContact O-N 2.75Å; D380-D382 VanDerWaalsContact O-N 3.14Å; D382-Y384 PolarHBondContact O-N 2.92Å
383S37.8Very low38.4Very low100 Ų100160.5 Ų160.570%0.69981%0.813SS**  trans-81.841.5175-58.90000112.7D380 P381 F385D380-S383 VanDerWaalsContact O-CB 3.32Å; D380-S383 WeakPolarHBondContact O-CB 3.48Å; D380-S383 PolarHBondContact O-N 2.94Å; D380-S383 PolarHBondContact O-OG 2.88Å; P381-S383 VanDerWaalsContact C-N 3.27Å; P381-S383 PolarHBondContact O-N 2.93Å; S383-F385 PolarHBondContact O-N 3.43Å
384Y31.3Very low38.3Very low194 Ų194165.9 Ų165.976%0.76182%0.815SS**  trans-97.783.9-177.2-153.4-83.3000111.3D382D382-Y384 PolarHBondContact O-N 2.92Å
385F36.8Very low38.3Very low201 Ų201161 Ų16188%0.88281%0.809SS**PPolyproline II helixtrans-81.5120.2164.4-95.7-86.8000109.6S383S383-F385 PolarHBondContact O-N 3.43Å
386P32.9Very low38.4Very low90 Ų90155.4 Ų155.458%0.58480%0.802SS**PPolyproline II helixtrans-70.5157.3-17629.3-35.2000112.1
387P38.2Very low38.1Very low115 Ų115154.2 Ų154.275%0.74780%0.803SS**PPolyproline II helixtrans-73.5144.5-170.630.6-35.8000112.3
388F36.6Very low37.8Very low209 Ų209156.9 Ų156.992%0.91781%0.805SS**PPolyproline II helixtrans-66.6137152.9-71.4-86.7000108.7
389L34.6Very low37.7Very low249 Ų249149.9 Ų149.9100%1.30480%0.798SS**  trans-60.10-177.4-71.5156.1000113.3

Retrieved 389 of 389 residues in 137.9 ms (Link to these results)

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