A0A3Q2ZZK5_KRYMA Loading...

Single stranded DNA binding protein 4

AlphaFold DB , UniProt , Accession A0A3Q2ZZK5, Species KRYMA (Kryptolebias marmoratus, Mangrove killifish), Gene n/a, Length 385 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.6Very low51.8Low240 Ų240140.8 Ų140.8100%1.18281%0.811SS**  01020-70.1172.5173.200107.3
2Y36Very low54.5Low236 Ų236133.8 Ų133.893%0.92578%0.776SS**  trans-84119178-65.7-80.7000108.3K4Y2-K4 PolarHBondContact O-N 2.85Å
3A43Very low57.1Low102 Ų102133.6 Ų133.684%0.84377%0.771SS**  trans-60.6107.117400000108.2G5A3-G5 PolarHBondContact O-N 3.17Å
4K44.6Very low59.3Low204 Ų204129.1 Ų129.189%0.88775%0.75SS**  trans-55.5111.4172.6-171.3169.1-178.7174.80107.1Y2 K6Y2-K4 PolarHBondContact O-N 2.85Å; K4-K6 PolarHBondContact O-N 3.34Å
5G49.8Very low61.2Low64 Ų64127.1 Ų127.166%0.6673%0.731SS**  trans-48.6132.6178.300000109.6A3 G7A3-G5 PolarHBondContact O-N 3.17Å; G5-G7 PolarHBondContact O-N 2.73Å
6K48.3Very low63Low211 Ų211122.2 Ų122.292%0.91771%0.711SS**  trans-48.3112169.1-71.9176.8174.8178.20106.6K4 A8K4-K6 PolarHBondContact O-N 3.34Å; K6-A8 PolarHBondContact O-N 3.31Å
7G45.2Very low64.6Low62 Ų62126.1 Ų126.164%0.63971%0.711SS**  trans-51.7129.2174.100000107.7G5 V9G5-G7 PolarHBondContact O-N 2.73Å; G7-V9 VanDerWaalsContact C-N 3.25Å; G7-V9 PolarHBondContact O-N 3.26Å
8A56.7Low66.1Low101 Ų101123 Ų12384%0.83569%0.69SS**  trans-59.798.417000000106.5K6 V10K6-A8 PolarHBondContact O-N 3.31Å; A8-V10 PolarHBondContact O-N 3.01Å; A8-V10 VanDerWaalsContact O-N 3.15Å
9V63.8Low67.4Low124 Ų124122.8 Ų122.875%0.75268%0.681SS**PPolyproline II helixtrans-61.3118.9171.9172.30000105.1G7G7-V9 VanDerWaalsContact C-N 3.25Å; G7-V9 PolarHBondContact O-N 3.26Å
10V70Confident68.7Low124 Ų124121.3 Ų121.375%0.75267%0.671SS**PPolyproline II helixtrans-53.5124.5173.5178.60000106.7A8 S12A8-V10 PolarHBondContact O-N 3.01Å; A8-V10 VanDerWaalsContact O-N 3.15Å; V10-S12 PolarHBondContact O-N 3.47Å
11P74.8Confident69.9Low81 Ų81116.2 Ų116.253%0.52665%0.645SS.*PPolyproline II helixtrans-58.4131.2-178.821.9-30.7000108.7Q15P11-Q15 HydrophobicContact CB-CB 4.35Å
12S84.4Confident72.6Confident57 Ų57106.1 Ų106.140%0.39960%0.596SS.*PPolyproline II helixtrans-66.9154.8174.965.40000110V10 S14 Q15 A16V10-S12 PolarHBondContact O-N 3.47Å; S12-S14 PolarHBondContact O-N 2.98Å; S12-Q15 WeakPolarHBondContact O-CA 3.49Å; S12-Q15 WeakPolarHBondContact O-CB 3.43Å; S12-Q15 PolarHBondContact O-N 3.24Å; S12-Q15 WeakPolarHBondContact OG-CG 3.49Å; S12-A16 PolarHBondContact O-N 3.43Å
13D88.5Confident75.3Confident131 Ų13197.6 Ų97.670%0.70156%0.562SS**Hα-helixtrans-53.4-32.2177.2-70-52.9000112.6A16 R17D13-A16 PolarHBondContact O-N 3.21Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 WeakPolarHBondContact O-CG 3.29Å; D13-R17 PolarHBondContact O-N 3.15Å
14S87.4Confident77.8Confident70 Ų7094.7 Ų94.749%0.4953%0.534SS..Hα-helixtrans-62.8-47.5174-170.80000111.9S12 A16 R17 E18S12-S14 PolarHBondContact O-N 2.98Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 3.4Å; S14-R17 PolarHBondContact O-N 3.21Å; S14-E18 WeakPolarHBondContact O-CG 3.38Å; S14-E18 PolarHBondContact O-N 2.95Å
15Q88.4Confident80.2Confident99 Ų9986.5 Ų86.546%0.46350%0.498SS..Hα-helixtrans-63.8-38.4176.8-68175.412.800111.8P11 S12 E18 K19P11-Q15 HydrophobicContact CB-CB 4.35Å; S12-Q15 WeakPolarHBondContact O-CA 3.49Å; S12-Q15 WeakPolarHBondContact O-CB 3.43Å; S12-Q15 PolarHBondContact O-N 3.24Å; S12-Q15 WeakPolarHBondContact OG-CG 3.49Å; Q15-E18 PolarHBondContact O-N 3.15Å; Q15-K19 WeakPolarHBondContact O-CB 3.42Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 3.13Å
16A90.1Very high82.2Confident49 Ų4984 Ų8441%0.40547%0.469SS..Hα-helixtrans-63.7-43.917600000111.6S12 D13 S14 K19 L20S12-A16 PolarHBondContact O-N 3.43Å; D13-A16 PolarHBondContact O-N 3.21Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 3.4Å; A16-K19 PolarHBondContact O-N 2.99Å; A16-L20 VanDerWaalsContact O-CB 3.31Å; A16-L20 WeakPolarHBondContact O-CB 3.47Å; A16-L20 PolarHBondContact O-N 3.25Å
17R89.8Confident84.4Confident189 Ų18978.1 Ų78.171%0.71344%0.442SS*.Hα-helixtrans-62.4-42.6176-73.8171.3-175.3-152.91.6112.2D13 S14 L20 A21D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 WeakPolarHBondContact O-CG 3.29Å; D13-R17 PolarHBondContact O-N 3.15Å; S14-R17 PolarHBondContact O-N 3.21Å; R17-L20 PolarHBondContact O-N 3.04Å; R17-A21 WeakPolarHBondContact O-CB 3.33Å; R17-A21 PolarHBondContact O-N 3.42Å
18E91.2Very high86.7Confident70 Ų7076.7 Ų76.733%0.32742%0.419SS..Hα-helixtrans-63.1-45.1176.3-71.7-179174.700112S14 Q15 A21 L22 W46 K48S14-E18 WeakPolarHBondContact O-CG 3.38Å; S14-E18 PolarHBondContact O-N 2.95Å; Q15-E18 PolarHBondContact O-N 3.15Å; E18-A21 PolarHBondContact O-N 3.26Å; E18-L22 PolarHBondContact O-N 3.41Å; E18-L22 VanDerWaalsContact O-N 3.1Å; E18-W46 HydrophobicContact CB-CH2 4.23Å; E18-W46 HydrophobicContact CB-CZ3 4.42Å; E18-W46 WeakPolarHBondContact O-CH2 3.33Å; E18-K48 IonicContact OE1-NZ 2.67Å; E18-K48 PolarHBondContact OE1-NZ 3.01Å; E18-K48 IonicContact OE2-NZ 2.67Å; E18-K48 PolarHBondContact OE2-NZ 3.39Å
19K91.4Very high88.4Confident119 Ų11972.9 Ų72.952%0.51739%0.385SS..Hα-helixtrans-63.9-42.5176.4-75.2-70.1-175.3178.60111.8Q15 A16 L22 Y23Q15-K19 WeakPolarHBondContact O-CB 3.42Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 3.13Å; A16-K19 PolarHBondContact O-N 2.99Å; K19-L22 PolarHBondContact O-N 3.17Å; K19-Y23 HydrophobicContact CB-CE2 4.12Å; K19-Y23 WeakPolarHBondContact O-CD2 3.2Å; K19-Y23 VanDerWaalsContact O-CG 3.3Å; K19-Y23 PolarHBondContact O-N 3.4Å
20L93.4Very high89.7Confident92 Ų9270 Ų7048%0.48236%0.362SS..Hα-helixtrans-60.6-46176.2-179.862.1000111.3A16 R17 L22 Y23 V24 L59A16-L20 VanDerWaalsContact O-CB 3.31Å; A16-L20 WeakPolarHBondContact O-CB 3.47Å; A16-L20 PolarHBondContact O-N 3.25Å; R17-L20 PolarHBondContact O-N 3.04Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.08Å; L20-Y23 PolarHBondContact O-N 3.22Å; L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.36Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 2.92Å; L20-L59 HydrophobicContact CD1-CD1 4.41Å
21A94.2Very high90.8Very high16 Ų1667.8 Ų67.813%0.13235%0.349CS..Hα-helixtrans-58.2-42.9176.900000111.8R17 E18 Y23 V24 Y25 F40 I44 W46R17-A21 WeakPolarHBondContact O-CB 3.33Å; R17-A21 PolarHBondContact O-N 3.42Å; E18-A21 PolarHBondContact O-N 3.26Å; A21-Y23 PolarHBondContact O-N 3.04Å; A21-V24 PolarHBondContact O-N 3.48Å; A21-Y25 PolarHBondContact O-N 2.82Å; A21-F40 HydrophobicContact CB-CE1 4.3Å; A21-F40 HydrophobicContact CB-CZ 4.11Å; A21-F40 WeakPolarHBondContact O-CE1 3.3Å; A21-I44 HydrophobicContact CB-CD1 3.97Å; A21-W46 HydrophobicContact CB-CE3 4.37Å; A21-W46 HydrophobicContact CB-CZ3 3.88Å
22L93.8Very high91.7Very high28 Ų2866.5 Ų66.515%0.14735%0.351CS..Hα-helixtrans-61.3-44.4175.8-174.9142.5000112.1E18 K19 L20 Y25 E26 W46E18-L22 PolarHBondContact O-N 3.41Å; E18-L22 VanDerWaalsContact O-N 3.1Å; K19-L22 PolarHBondContact O-N 3.17Å; L20-L22 VanDerWaalsContact C-N 3.29Å; L20-L22 PolarHBondContact O-N 3.08Å; L22-Y25 PolarHBondContact O-N 3.06Å; L22-E26 PolarHBondContact O-N 2.96Å; L22-W46 HydrophobicContact CB-CH2 4.42Å; L22-W46 HydrophobicContact CB-CZ2 4.41Å; L22-W46 HydrophobicContact CD1-CZ2 4.34Å
23Y93.6Very high92.1Very high56 Ų5665.1 Ų65.122%0.2234%0.343CS..Hα-helixtrans-70.9-31.4179.2-58.8-44.4000113.3K19 L20 A21 Y27 F58K19-Y23 HydrophobicContact CB-CE2 4.12Å; K19-Y23 WeakPolarHBondContact O-CD2 3.2Å; K19-Y23 VanDerWaalsContact O-CG 3.3Å; K19-Y23 PolarHBondContact O-N 3.4Å; L20-Y23 PolarHBondContact O-N 3.22Å; A21-Y23 PolarHBondContact O-N 3.04Å; Y23-Y27 WeakPolarHBondContact O-CB 3.45Å; Y23-Y27 PolarHBondContact O-N 2.94Å; Y23-F58 HydrophobicContact CD1-CB 3.76Å; Y23-F58 AromaticContact CD1-CD1 3.82Å; Y23-F58 HydrophobicContact CD1-CD1 3.82Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.51Å; Y23-F58 HydrophobicContact CD2-CD1 3.51Å; Y23-F58 AromaticContact CD2-CE1 3.84Å; Y23-F58 HydrophobicContact CD2-CE1 3.84Å; Y23-F58 HydrophobicContact CD2-CG 4.48Å; Y23-F58 HydrophobicContact CE1-CB 3.81Å; Y23-F58 AromaticContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CE1 4.5Å; Y23-F58 AromaticContact CE1-CG 3.8Å; Y23-F58 HydrophobicContact CE1-CG 3.8Å; Y23-F58 AromaticContact CE2-CD1 3.42Å; Y23-F58 HydrophobicContact CE2-CD1 3.42Å; Y23-F58 VanDerWaalsContact CE2-CD1 3.42Å; Y23-F58 AromaticContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CE1 3.47Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CG 4.24Å; Y23-F58 HydrophobicContact CE2-CZ 4.32Å; Y23-F58 HydrophobicContact CG-CB 4.37Å; Y23-F58 AromaticContact CG-CD1 3.72Å; Y23-F58 HydrophobicContact CG-CD1 3.72Å; Y23-F58 HydrophobicContact CG-CE1 4.5Å; Y23-F58 HydrophobicContact CG-CG 4.4Å; Y23-F58 AromaticContact CZ-CD1 3.55Å; Y23-F58 AromaticContact CZ-CE1 3.84Å; Y23-F58 AromaticContact CZ-CG 3.9Å
24V94.6Very high92.4Very high41 Ų4163.7 Ų63.725%0.24833%0.332CS..Hα-helixtrans-66.4-42.7172169.90000110.5L20 A21 Y27 L28 F40 L59L20-V24 HydrophobicContact CD1-CG2 4.2Å; L20-V24 HydrophobicContact CG-CG2 4.36Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.41Å; L20-V24 PolarHBondContact O-N 2.92Å; A21-V24 PolarHBondContact O-N 3.48Å; V24-Y27 PolarHBondContact O-N 3.44Å; V24-L28 HydrophobicContact CG1-CD1 4.16Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.32Å; V24-L28 PolarHBondContact O-N 3.02Å; V24-F40 HydrophobicContact CB-CE1 4.29Å; V24-F40 HydrophobicContact CB-CZ 4.28Å; V24-F40 HydrophobicContact CG1-CE1 4.09Å; V24-F40 HydrophobicContact CG1-CE2 4.4Å; V24-F40 HydrophobicContact CG1-CZ 4Å; V24-L59 HydrophobicContact CG2-CD2 3.94Å
25Y94.1Very high92.8Very high32 Ų3268.9 Ų68.913%0.12535%0.346CS..Hα-helixtrans-61-47.8174.6173.5-101.2000112A21 L22 Y27 L28 L29 A37 L41 I50 L52A21-Y25 PolarHBondContact O-N 2.82Å; L22-Y25 PolarHBondContact O-N 3.06Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 3.17Å; Y25-L28 PolarHBondContact O-N 3.28Å; Y25-L29 HydrophobicContact CD1-CD1 4.06Å; Y25-L29 HydrophobicContact CE1-CD1 3.37Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.29Å; Y25-L29 HydrophobicContact CE2-CD2 4.41Å; Y25-L29 HydrophobicContact CE2-CG 4.29Å; Y25-L29 PolarHBondContact O-N 2.87Å; Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.39Å; Y25-A37 HydrophobicContact CE2-CB 3.64Å; Y25-A37 WeakPolarHBondContact CE2-O 3.33Å; Y25-L41 HydrophobicContact CD2-CD1 3.67Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.51Å; Y25-L41 HydrophobicContact CE1-CD1 4.35Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.26Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.35Å; Y25-L41 HydrophobicContact CG-CD2 3.95Å; Y25-L41 HydrophobicContact CG-CG 4.21Å; Y25-I50 HydrophobicContact CD1-CD1 3.86Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CB 4.47Å; Y25-I50 HydrophobicContact CE1-CD1 3.6Å; Y25-I50 HydrophobicContact CE1-CG2 3.7Å; Y25-I50 HydrophobicContact CG-CD1 4.43Å; Y25-L52 HydrophobicContact CD1-CD2 4.22Å; Y25-L52 HydrophobicContact CE1-CD2 3.97Å
26E93.5Very high93.1Very high12 Ų1267.3 Ų67.36%0.05635%0.346CS..Hα-helixtrans-56.1-46.4174.9178.8-176.7-12800111.3L22 L28 L29 H30 L52 G53 F58L22-E26 PolarHBondContact O-N 2.96Å; E26-L28 PolarHBondContact O-N 3.28Å; E26-L29 PolarHBondContact O-N 2.85Å; E26-H30 VanDerWaalsContact CG-CE1 3.43Å; E26-H30 WeakPolarHBondContact CG-CE1 3.31Å; E26-H30 PolarHBondContact O-N 2.94Å; E26-H30 IonicContact OE1-CE1 3.85Å; E26-L52 HydrophobicContact CB-CD2 4.34Å; E26-L52 HydrophobicContact CG-CD2 4.44Å; E26-G53 VanDerWaalsContact OE1-CA 3.29Å; E26-G53 WeakPolarHBondContact OE1-CA 3.26Å; E26-G53 PolarHBondContact OE1-N 3.48Å; E26-F58 PolarHBondContact OE2-N 2.86Å
27Y93.6Very high93.3Very high88 Ų8865 Ų6535%0.34533%0.327SS..Hα-helixtrans-58.8-48.3176.7171.1-103.6000112.1Y23 V24 Y25 L29 H30 V31 L59 H60Y23-Y27 WeakPolarHBondContact O-CB 3.45Å; Y23-Y27 PolarHBondContact O-N 2.94Å; V24-Y27 PolarHBondContact O-N 3.44Å; Y25-Y27 VanDerWaalsContact C-N 3.31Å; Y25-Y27 PolarHBondContact O-N 3.17Å; Y27-L29 PolarHBondContact O-N 3.16Å; Y27-H30 PolarHBondContact O-N 3.41Å; Y27-H30 VanDerWaalsContact O-N 3.13Å; Y27-V31 HydrophobicContact CD2-CG1 3.89Å; Y27-V31 HydrophobicContact CE1-CG1 4.16Å; Y27-V31 HydrophobicContact CE1-CG2 4.38Å; Y27-V31 HydrophobicContact CE2-CG1 3.38Å; Y27-V31 HydrophobicContact CG-CG1 4.48Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 3.06Å; Y27-L59 HydrophobicContact CG-CD2 4.31Å; Y27-H60 HydrophobicContact CD2-CB 4.28Å; Y27-H60 AromaticContact CE2-ND1 3.99Å
28L94.4Very high93.4Very high32 Ų3262.3 Ų62.317%0.16832%0.322CS..Hα-helixtrans-58.7-36.6178.7-71.9170.9000111.8V24 Y25 E26 V31 A33 A37 F40V24-L28 HydrophobicContact CG1-CD1 4.16Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.32Å; V24-L28 PolarHBondContact O-N 3.02Å; Y25-L28 PolarHBondContact O-N 3.28Å; E26-L28 PolarHBondContact O-N 3.28Å; L28-V31 WeakPolarHBondContact O-CG2 3.1Å; L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.09Å; L28-A33 CarbonylContact O-C 3.52Å; L28-A33 WeakPolarHBondContact O-CA 3.4Å; L28-A33 WeakPolarHBondContact O-CB 3.45Å; L28-A33 PolarHBondContact O-N 2.98Å; L28-A37 HydrophobicContact CB-CB 3.75Å; L28-A37 HydrophobicContact CD1-CB 4.48Å; L28-F40 HydrophobicContact CD1-CB 4.19Å; L28-F40 HydrophobicContact CD1-CD1 4.48Å; L28-F40 HydrophobicContact CD1-CG 4.35Å
29L92.2Very high93.7Very high21 Ų2162.4 Ų62.411%0.1133%0.328CS..Hα-helixtrans-68-47174.5-69.1178.6000112.1Y25 E26 Y27 V31 G32 Q34 A37 L52Y25-L29 HydrophobicContact CD1-CD1 4.06Å; Y25-L29 HydrophobicContact CE1-CD1 3.37Å; Y25-L29 HydrophobicContact CE1-CG 4.14Å; Y25-L29 HydrophobicContact CE2-CD1 4.29Å; Y25-L29 HydrophobicContact CE2-CD2 4.41Å; Y25-L29 HydrophobicContact CE2-CG 4.29Å; Y25-L29 PolarHBondContact O-N 2.87Å; E26-L29 PolarHBondContact O-N 2.85Å; Y27-L29 PolarHBondContact O-N 3.16Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 3.35Å; L29-G32 PolarHBondContact O-N 3.23Å; L29-Q34 VanDerWaalsContact CD2-NE2 3.27Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.27Å; L29-Q34 PolarHBondContact O-NE2 3.47Å; L29-A37 HydrophobicContact CD2-CB 3.76Å; L29-A37 HydrophobicContact CG-CB 4.11Å; L29-L52 HydrophobicContact CD1-CD1 3.64Å; L29-L52 HydrophobicContact CD1-CD2 3.52Å; L29-L52 HydrophobicContact CD1-CG 4.23Å
30H90.7Very high93.9Very high62 Ų6259 Ų5929%0.28731%0.313SS..Hα-helixtrans-65.8-32.2-178.2-70.3156.7000113.4E26 Y27 G32 P56 G57E26-H30 VanDerWaalsContact CG-CE1 3.43Å; E26-H30 WeakPolarHBondContact CG-CE1 3.31Å; E26-H30 PolarHBondContact O-N 2.94Å; E26-H30 IonicContact OE1-CE1 3.85Å; Y27-H30 PolarHBondContact O-N 3.41Å; Y27-H30 VanDerWaalsContact O-N 3.13Å; H30-G32 PolarHBondContact O-N 3.34Å; H30-P56 VanDerWaalsContact ND1-C 3.33Å; H30-P56 PolarHBondContact ND1-O 3.22Å; H30-G57 WeakPolarHBondContact ND1-CA 3.12Å; H30-G57 PolarHBondContact ND1-N 3.48Å
31V93.3Very high93.9Very high78 Ų7856 Ų5647%0.47330%0.297SS..THydrogen-bonded Turntrans-80.92.1173.6-56.50000113.6Y27 L28 L29 A33Y27-V31 HydrophobicContact CD2-CG1 3.89Å; Y27-V31 HydrophobicContact CE1-CG1 4.16Å; Y27-V31 HydrophobicContact CE1-CG2 4.38Å; Y27-V31 HydrophobicContact CE2-CG1 3.38Å; Y27-V31 HydrophobicContact CG-CG1 4.48Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 3.06Å; L28-V31 WeakPolarHBondContact O-CG2 3.1Å; L29-V31 VanDerWaalsContact C-N 3.33Å; L29-V31 PolarHBondContact O-N 3.35Å; V31-A33 HydrophobicContact CG2-CB 3.97Å
32G92.2Very high93.8Very high54 Ų5459.5 Ų59.556%0.55732%0.321SS*.THydrogen-bonded Turntrans82.17.2178.500000115L29 H30 Q34L29-G32 PolarHBondContact O-N 3.23Å; H30-G32 PolarHBondContact O-N 3.34Å; G32-Q34 PolarHBondContact O-N 2.92Å
33A94.6Very high93.9Very high29 Ų2965.1 Ų65.124%0.2435%0.346CS..  trans-81.753.917900000112.5L28 V31 K35 S36 A37L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.09Å; L28-A33 CarbonylContact O-C 3.52Å; L28-A33 WeakPolarHBondContact O-CA 3.4Å; L28-A33 WeakPolarHBondContact O-CB 3.45Å; L28-A33 PolarHBondContact O-N 2.98Å; V31-A33 HydrophobicContact CG2-CB 3.97Å; A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.25Å; A33-S36 PolarHBondContact O-N 2.9Å; A33-S36 VanDerWaalsContact O-N 3.17Å; A33-A37 PolarHBondContact O-N 3.09Å
34Q93.1Very high93.9Very high100 Ų10065.8 Ų65.847%0.46735%0.353SS..Hα-helixtrans-55.7-42.5-173.3-63.9-67.6-51.600113.4L29 G32 A37 Q38L29-Q34 VanDerWaalsContact CD2-NE2 3.27Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.27Å; L29-Q34 PolarHBondContact O-NE2 3.47Å; G32-Q34 PolarHBondContact O-N 2.92Å; Q34-A37 PolarHBondContact O-N 2.96Å; Q34-Q38 PolarHBondContact O-N 3.34Å
35K95.8Very high93.8Very high179 Ų17973.7 Ų73.778%0.77838%0.378SS*.Hα-helixtrans-65.2-46.2179.1-67.2-177-179.7179.10111.5A33 A37 Q38 T39A33-K35 VanDerWaalsContact C-N 3.33Å; A33-K35 PolarHBondContact O-N 3.25Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.42Å; K35-Q38 PolarHBondContact O-N 2.87Å; K35-T39 PolarHBondContact O-N 3.43Å; K35-T39 PolarHBondContact O-OG1 3.25Å
36S96.5Very high93.8Very high67 Ų6774.6 Ų74.647%0.46938%0.382SS..Hα-helixtrans-62.9-38.9177.3-54.90000111.7A33 Q38 T39 F40A33-S36 PolarHBondContact O-N 2.9Å; A33-S36 VanDerWaalsContact O-N 3.17Å; S36-Q38 PolarHBondContact O-N 3.44Å; S36-T39 PolarHBondContact O-N 3.48Å; S36-F40 WeakPolarHBondContact O-CB 3.07Å; S36-F40 PolarHBondContact O-N 2.91Å
37A94.4Very high93.5Very high0 Ų082.6 Ų82.60%042%0.419CS..Hα-helixtrans-60-44.1176.200000111.9Y25 L28 L29 A33 Q34 K35 L41Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.39Å; Y25-A37 HydrophobicContact CE2-CB 3.64Å; Y25-A37 WeakPolarHBondContact CE2-O 3.33Å; L28-A37 HydrophobicContact CB-CB 3.75Å; L28-A37 HydrophobicContact CD1-CB 4.48Å; L29-A37 HydrophobicContact CD2-CB 3.76Å; L29-A37 HydrophobicContact CG-CB 4.11Å; A33-A37 PolarHBondContact O-N 3.09Å; Q34-A37 PolarHBondContact O-N 2.96Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.42Å; A37-L41 PolarHBondContact O-N 3.18Å
38Q91.9Very high93.2Very high132 Ų13283.4 Ų83.462%0.61742%0.424SS*.Hα-helixtrans-69.8-42.1177.9-71-166.82.400113.2Q34 K35 S36 F40 L41 S42Q34-Q38 PolarHBondContact O-N 3.34Å; K35-Q38 PolarHBondContact O-N 2.87Å; S36-Q38 PolarHBondContact O-N 3.44Å; Q38-F40 VanDerWaalsContact C-N 3.3Å; Q38-F40 PolarHBondContact O-N 3.27Å; Q38-L41 PolarHBondContact O-N 2.99Å; Q38-S42 PolarHBondContact O-N 3.37Å; Q38-S42 PolarHBondContact O-OG 3.28Å
39T96.2Very high92.7Very high73 Ų7389.6 Ų89.645%0.44846%0.457SS..Hα-helixtrans-60.6-43.8175.1-60.50000110.6K35 S36 L41 S42 E43K35-T39 PolarHBondContact O-N 3.43Å; K35-T39 PolarHBondContact O-OG1 3.25Å; S36-T39 PolarHBondContact O-N 3.48Å; T39-L41 PolarHBondContact O-N 3.37Å; T39-S42 WeakPolarHBondContact O-CB 3.37Å; T39-S42 PolarHBondContact O-N 3.26Å; T39-S42 VanDerWaalsContact O-N 3.09Å; T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.36Å; T39-E43 WeakPolarHBondContact O-CG 3.46Å; T39-E43 PolarHBondContact O-N 2.9Å
40F95.8Very high92.2Very high48 Ų4891.2 Ų91.221%0.21147%0.466CS..Hα-helixtrans-57.4-47.5178.8175.7-109.3000112.7A21 V24 L28 S36 Q38 S42 E43 I44A21-F40 HydrophobicContact CB-CE1 4.3Å; A21-F40 HydrophobicContact CB-CZ 4.11Å; A21-F40 WeakPolarHBondContact O-CE1 3.3Å; V24-F40 HydrophobicContact CB-CE1 4.29Å; V24-F40 HydrophobicContact CB-CZ 4.28Å; V24-F40 HydrophobicContact CG1-CE1 4.09Å; V24-F40 HydrophobicContact CG1-CE2 4.4Å; V24-F40 HydrophobicContact CG1-CZ 4Å; L28-F40 HydrophobicContact CD1-CB 4.19Å; L28-F40 HydrophobicContact CD1-CD1 4.48Å; L28-F40 HydrophobicContact CD1-CG 4.35Å; S36-F40 WeakPolarHBondContact O-CB 3.07Å; S36-F40 PolarHBondContact O-N 2.91Å; Q38-F40 VanDerWaalsContact C-N 3.3Å; Q38-F40 PolarHBondContact O-N 3.27Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.05Å; F40-E43 PolarHBondContact O-N 3.45Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.34Å; F40-I44 HydrophobicContact CE1-CD1 3.78Å; F40-I44 HydrophobicContact CE2-CD1 4.47Å; F40-I44 HydrophobicContact CE2-CG2 3.99Å; F40-I44 HydrophobicContact CZ-CD1 3.89Å; F40-I44 HydrophobicContact CZ-CG2 4.36Å; F40-I44 WeakPolarHBondContact O-CG1 3.27Å; F40-I44 PolarHBondContact O-N 3.39Å; F40-I44 VanDerWaalsContact O-N 3.17Å
41L93.3Very high91.7Very high28 Ų2893.8 Ų93.815%0.14749%0.486CS..Hα-helixtrans-62-36.9176.3-67.9-178.1000112.7Y25 A37 Q38 T39 R45 W46 I50Y25-L41 HydrophobicContact CD2-CD1 3.67Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.51Å; Y25-L41 HydrophobicContact CE1-CD1 4.35Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.26Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.35Å; Y25-L41 HydrophobicContact CG-CD2 3.95Å; Y25-L41 HydrophobicContact CG-CG 4.21Å; A37-L41 PolarHBondContact O-N 3.18Å; Q38-L41 PolarHBondContact O-N 2.99Å; T39-L41 PolarHBondContact O-N 3.37Å; L41-R45 PolarHBondContact O-N 3.46Å; L41-W46 HydrophobicContact CB-CB 4.14Å; L41-W46 HydrophobicContact CD2-CB 3.72Å; L41-W46 HydrophobicContact CD2-CD2 4.37Å; L41-W46 HydrophobicContact CD2-CG 3.7Å; L41-W46 HydrophobicContact CG-CB 4.49Å; L41-W46 PolarHBondContact O-N 3.29Å; L41-I50 HydrophobicContact CD1-CD1 3.38Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å
42S92.8Very high91.1Very high90 Ų9094.7 Ų94.763%0.62949%0.487SS*.Hα-helixtrans-68.9-42.5-179.8-55.40000111.3Q38 T39 F40 R45Q38-S42 PolarHBondContact O-N 3.37Å; Q38-S42 PolarHBondContact O-OG 3.28Å; T39-S42 WeakPolarHBondContact O-CB 3.37Å; T39-S42 PolarHBondContact O-N 3.26Å; T39-S42 VanDerWaalsContact O-N 3.09Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.05Å; S42-R45 PolarHBondContact O-N 3.43Å
43E95.6Very high90.5Very high146 Ų14694 Ų9468%0.68248%0.48SS*.Hα-helixtrans-66.2-41.5-179.5-75.3-178.8-173.400112.6T39 F40 R45T39-E43 HydrophobicContact CG2-CG 4.24Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.36Å; T39-E43 WeakPolarHBondContact O-CG 3.46Å; T39-E43 PolarHBondContact O-N 2.9Å; F40-E43 PolarHBondContact O-N 3.45Å; E43-R45 PolarHBondContact O-N 3.27Å
44I93.6Very high89.9Confident70 Ų70100.6 Ų100.636%0.35951%0.506SS..THydrogen-bonded Turntrans-82.51.1178.873.1-177000112.8A21 F40 W46A21-I44 HydrophobicContact CB-CD1 3.97Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.34Å; F40-I44 HydrophobicContact CE1-CD1 3.78Å; F40-I44 HydrophobicContact CE2-CD1 4.47Å; F40-I44 HydrophobicContact CE2-CG2 3.99Å; F40-I44 HydrophobicContact CZ-CD1 3.89Å; F40-I44 HydrophobicContact CZ-CG2 4.36Å; F40-I44 WeakPolarHBondContact O-CG1 3.27Å; F40-I44 PolarHBondContact O-N 3.39Å; F40-I44 VanDerWaalsContact O-N 3.17Å; I44-W46 VanDerWaalsContact C-N 3.34Å; I44-W46 HydrophobicContact CD1-CB 4.1Å; I44-W46 HydrophobicContact CD1-CD2 4.34Å; I44-W46 HydrophobicContact CD1-CE3 3.71Å; I44-W46 HydrophobicContact CG1-CB 3.86Å; I44-W46 HydrophobicContact CG1-CE3 4.37Å; I44-W46 PolarHBondContact O-N 2.92Å
45R92.7Very high89.4Confident207 Ų20799.9 Ų99.978%0.78151%0.51SS*.THydrogen-bonded Turntrans51.153.3-175-56.9-178.5179.5-170.8-1.2111.4L41 S42 E43 E47L41-R45 PolarHBondContact O-N 3.46Å; S42-R45 PolarHBondContact O-N 3.43Å; E43-R45 PolarHBondContact O-N 3.27Å; R45-E47 PolarHBondContact O-N 3.4Å
46W93.3Very high88.5Confident51 Ų5194.7 Ų94.719%0.19350%0.495CS..  trans-73.5114.6-178-169-93.1000111.1E18 A21 L22 L41 I44 K48E18-W46 HydrophobicContact CB-CH2 4.23Å; E18-W46 HydrophobicContact CB-CZ3 4.42Å; E18-W46 WeakPolarHBondContact O-CH2 3.33Å; A21-W46 HydrophobicContact CB-CE3 4.37Å; A21-W46 HydrophobicContact CB-CZ3 3.88Å; L22-W46 HydrophobicContact CB-CH2 4.42Å; L22-W46 HydrophobicContact CB-CZ2 4.41Å; L22-W46 HydrophobicContact CD1-CZ2 4.34Å; L41-W46 HydrophobicContact CB-CB 4.14Å; L41-W46 HydrophobicContact CD2-CB 3.72Å; L41-W46 HydrophobicContact CD2-CD2 4.37Å; L41-W46 HydrophobicContact CD2-CG 3.7Å; L41-W46 HydrophobicContact CG-CB 4.49Å; L41-W46 PolarHBondContact O-N 3.29Å; I44-W46 VanDerWaalsContact C-N 3.34Å; I44-W46 HydrophobicContact CD1-CB 4.1Å; I44-W46 HydrophobicContact CD1-CD2 4.34Å; I44-W46 HydrophobicContact CD1-CE3 3.71Å; I44-W46 HydrophobicContact CG1-CB 3.86Å; I44-W46 HydrophobicContact CG1-CE3 4.37Å; I44-W46 PolarHBondContact O-N 2.92Å; W46-K48 HydrophobicContact CH2-CD 4.48Å; W46-K48 HydrophobicContact CZ2-CB 3.9Å; W46-K48 HydrophobicContact CZ2-CD 4.35Å; W46-K48 PolarHBondContact NE1-O 2.87Å
47E87.9Confident88.2Confident180 Ų18091.8 Ų91.884%0.84148%0.475SS*.  trans-1101-177.5-66.3178.8-176.700113.3R45R45-E47 PolarHBondContact O-N 3.4Å
48K87.2Confident88Confident105 Ų10596 Ų9646%0.45749%0.494SS..SBendtrans-92.6146.8-175-62.8177.8177.3-178.40111.3E18 W46E18-K48 IonicContact OE1-NZ 2.67Å; E18-K48 PolarHBondContact OE1-NZ 3.01Å; E18-K48 IonicContact OE2-NZ 2.67Å; E18-K48 PolarHBondContact OE2-NZ 3.39Å; W46-K48 HydrophobicContact CH2-CD 4.48Å; W46-K48 HydrophobicContact CZ2-CB 3.9Å; W46-K48 HydrophobicContact CZ2-CD 4.35Å; W46-K48 PolarHBondContact NE1-O 2.87Å
49N83.3Confident88.1Confident161 Ų16192 Ų9286%0.86148%0.476SS*.  trans-59.3141174.1-72-62000111.4
50I81.1Confident87.9Confident56 Ų5692 Ų9229%0.28747%0.471SS..  trans-109.9122.1-178.6-54.5175.6000109.3Y25 L41 L52Y25-I50 HydrophobicContact CD1-CD1 3.86Å; Y25-I50 HydrophobicContact CD1-CG2 3.8Å; Y25-I50 HydrophobicContact CE1-CB 4.47Å; Y25-I50 HydrophobicContact CE1-CD1 3.6Å; Y25-I50 HydrophobicContact CE1-CG2 3.7Å; Y25-I50 HydrophobicContact CG-CD1 4.43Å; L41-I50 HydrophobicContact CD1-CD1 3.38Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å; I50-L52 HydrophobicContact CG2-CD2 4.09Å; I50-L52 HydrophobicContact CG2-CG 4.37Å
51T80.4Confident87.7Confident115 Ų11592.4 Ų92.471%0.70648%0.48SS*.  trans-104.3120.1168.152.90000108.3
52L81.6Confident87.8Confident97 Ų9798.6 Ų98.651%0.50850%0.501SS..  trans-90136.3178-63.9169.1000110.1Y25 E26 L29 I50Y25-L52 HydrophobicContact CD1-CD2 4.22Å; Y25-L52 HydrophobicContact CE1-CD2 3.97Å; E26-L52 HydrophobicContact CB-CD2 4.34Å; E26-L52 HydrophobicContact CG-CD2 4.44Å; L29-L52 HydrophobicContact CD1-CD1 3.64Å; L29-L52 HydrophobicContact CD1-CD2 3.52Å; L29-L52 HydrophobicContact CD1-CG 4.23Å; I50-L52 HydrophobicContact CG2-CD2 4.09Å; I50-L52 HydrophobicContact CG2-CG 4.37Å
53G79.6Confident87.9Confident39 Ų39101 Ų10140%0.40250%0.497SS..  trans-86.7179.3171.500000112.5E26E26-G53 VanDerWaalsContact OE1-CA 3.29Å; E26-G53 WeakPolarHBondContact OE1-CA 3.26Å; E26-G53 PolarHBondContact OE1-N 3.48Å
54E82.4Confident87.8Confident168 Ų16896.9 Ų96.979%0.78548%0.483SS*.SBendtrans-70.7142.6174.3-69.9-70.3154.800111.1G57E54-G57 PolarHBondContact O-N 3.17Å; E54-G57 VanDerWaalsContact O-N 3.08Å
55P81.3Confident87.8Confident86 Ų8697.2 Ų97.256%0.55849%0.488SS*.THydrogen-bonded Turntrans-61.9144.8173.226.3-33.3000110.7
56P78Confident88Confident69 Ų6992.4 Ų92.445%0.44847%0.473SS..THydrogen-bonded Turncis-84.84.313.333.7-36.4000115.6H30 H60H30-P56 VanDerWaalsContact ND1-C 3.33Å; H30-P56 PolarHBondContact ND1-O 3.22Å; P56-H60 HydrophobicContact CB-CB 4.34Å
57G89.1Confident87.9Confident6 Ų696.1 Ų96.16%0.06249%0.487CS..  trans87.5165.6-178.600000114.1H30 E54 S61H30-G57 WeakPolarHBondContact ND1-CA 3.12Å; H30-G57 PolarHBondContact ND1-N 3.48Å; E54-G57 PolarHBondContact O-N 3.17Å; E54-G57 VanDerWaalsContact O-N 3.08Å; G57-S61 PolarHBondContact O-N 3.36Å; G57-S61 PolarHBondContact O-OG 3.4Å
58F91.8Very high88.2Confident90 Ų9089.3 Ų89.340%0.39546%0.457SS..Hα-helixtrans-67.5-47.8-172.6177.7-92.4000112.3Y23 E26 H60 S61 W62Y23-F58 HydrophobicContact CD1-CB 3.76Å; Y23-F58 AromaticContact CD1-CD1 3.82Å; Y23-F58 HydrophobicContact CD1-CD1 3.82Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.51Å; Y23-F58 HydrophobicContact CD2-CD1 3.51Å; Y23-F58 AromaticContact CD2-CE1 3.84Å; Y23-F58 HydrophobicContact CD2-CE1 3.84Å; Y23-F58 HydrophobicContact CD2-CG 4.48Å; Y23-F58 HydrophobicContact CE1-CB 3.81Å; Y23-F58 AromaticContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CD1 3.75Å; Y23-F58 HydrophobicContact CE1-CE1 4.5Å; Y23-F58 AromaticContact CE1-CG 3.8Å; Y23-F58 HydrophobicContact CE1-CG 3.8Å; Y23-F58 AromaticContact CE2-CD1 3.42Å; Y23-F58 HydrophobicContact CE2-CD1 3.42Å; Y23-F58 VanDerWaalsContact CE2-CD1 3.42Å; Y23-F58 AromaticContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CE1 3.47Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CG 4.24Å; Y23-F58 HydrophobicContact CE2-CZ 4.32Å; Y23-F58 HydrophobicContact CG-CB 4.37Å; Y23-F58 AromaticContact CG-CD1 3.72Å; Y23-F58 HydrophobicContact CG-CD1 3.72Å; Y23-F58 HydrophobicContact CG-CE1 4.5Å; Y23-F58 HydrophobicContact CG-CG 4.4Å; Y23-F58 AromaticContact CZ-CD1 3.55Å; Y23-F58 AromaticContact CZ-CE1 3.84Å; Y23-F58 AromaticContact CZ-CG 3.9Å; E26-F58 PolarHBondContact OE2-N 2.86Å; F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 3.1Å; F58-S61 PolarHBondContact O-N 3.39Å; F58-W62 AromaticContact CD2-CD1 3.97Å; F58-W62 AromaticContact CE1-CD1 3.85Å; F58-W62 HydrophobicContact CE1-CG 4.36Å; F58-W62 AromaticContact CE2-CD1 3.34Å; F58-W62 HydrophobicContact CE2-CG 4.48Å; F58-W62 AromaticContact CE2-NE1 3.59Å; F58-W62 AromaticContact CZ-CD1 3.27Å; F58-W62 HydrophobicContact CZ-CG 4.1Å; F58-W62 AromaticContact CZ-NE1 3.56Å; F58-W62 PolarHBondContact O-N 2.85Å
59L93.4Very high88.5Confident46 Ų4686.8 Ų86.824%0.24145%0.448CS..Hα-helixtrans-60.7-44.9-175.5-173.761.7000111.8L20 V24 Y27 W63L20-L59 HydrophobicContact CD1-CD1 4.41Å; V24-L59 HydrophobicContact CG2-CD2 3.94Å; Y27-L59 HydrophobicContact CG-CD2 4.31Å; L59-W63 WeakPolarHBondContact O-CB 3.29Å; L59-W63 PolarHBondContact O-N 3.37Å
60H91.7Very high88.8Confident75 Ų7583.2 Ų83.235%0.34742%0.423SS..Hα-helixtrans-64.5-47.9-178.1-171.475.2000111.2Y27 P56 F58 W62 W63 C64Y27-H60 HydrophobicContact CD2-CB 4.28Å; Y27-H60 AromaticContact CE2-ND1 3.99Å; P56-H60 HydrophobicContact CB-CB 4.34Å; F58-H60 VanDerWaalsContact C-N 3.35Å; F58-H60 PolarHBondContact O-N 3.1Å; H60-W62 PolarHBondContact O-N 3.36Å; H60-W63 PolarHBondContact O-N 3.27Å; H60-C64 PolarHBondContact O-N 2.92Å; H60-C64 PolarHBondContact O-SG 3.44Å
61S92.2Very high89.3Confident55 Ų5580.7 Ų80.739%0.38541%0.41SS..Hα-helixtrans-59.1-47.7179.8-54.10000111.8G57 F58 C64 V65G57-S61 PolarHBondContact O-N 3.36Å; G57-S61 PolarHBondContact O-OG 3.4Å; F58-S61 PolarHBondContact O-N 3.39Å; S61-C64 PolarHBondContact O-N 3.36Å; S61-V65 PolarHBondContact O-N 3.17Å
62W95.1Very high89.6Confident159 Ų15975.2 Ų75.260%0.60238%0.376SS*.Hα-helixtrans-68.2-37.7178.3-106.599.4000113F58 H60 V65 F66F58-W62 AromaticContact CD2-CD1 3.97Å; F58-W62 AromaticContact CE1-CD1 3.85Å; F58-W62 HydrophobicContact CE1-CG 4.36Å; F58-W62 AromaticContact CE2-CD1 3.34Å; F58-W62 HydrophobicContact CE2-CG 4.48Å; F58-W62 AromaticContact CE2-NE1 3.59Å; F58-W62 AromaticContact CZ-CD1 3.27Å; F58-W62 HydrophobicContact CZ-CG 4.1Å; F58-W62 AromaticContact CZ-NE1 3.56Å; F58-W62 PolarHBondContact O-N 2.85Å; H60-W62 PolarHBondContact O-N 3.36Å; W62-V65 PolarHBondContact O-N 2.67Å; W62-F66 WeakPolarHBondContact O-CB 3.42Å; W62-F66 PolarHBondContact O-N 3.03Å
63W95.4Very high89.9Confident141 Ų14171.3 Ų71.353%0.53436%0.358SS..Hα-helixtrans-64.7-40.1176.9-177.7-103.5000111.9L59 H60 V65 F66 W67L59-W63 WeakPolarHBondContact O-CB 3.29Å; L59-W63 PolarHBondContact O-N 3.37Å; H60-W63 PolarHBondContact O-N 3.27Å; W63-V65 PolarHBondContact O-N 2.67Å; W63-F66 AromaticContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 HydrophobicContact CH2-CD1 4.09Å; W63-F66 AromaticContact CH2-CE1 4Å; W63-F66 HydrophobicContact CH2-CE1 4Å; W63-F66 AromaticContact CZ3-CD1 3.63Å; W63-F66 HydrophobicContact CZ3-CD1 3.63Å; W63-F66 AromaticContact CZ3-CE1 3.78Å; W63-F66 HydrophobicContact CZ3-CE1 3.78Å; W63-F66 PolarHBondContact O-N 3.35Å; W63-W67 HydrophobicContact CZ2-CE3 4.31Å; W63-W67 VanDerWaalsContact O-CB 3.26Å; W63-W67 WeakPolarHBondContact O-CB 3.21Å; W63-W67 PolarHBondContact O-N 2.99Å
64C93.5Very high89.9Confident59 Ų5972.7 Ų72.740%0.39936%0.36SS..Hα-helixtrans-59.2-46.4174.6-72.20000111.7H60 S61 W67 D68H60-C64 PolarHBondContact O-N 2.92Å; H60-C64 PolarHBondContact O-SG 3.44Å; S61-C64 PolarHBondContact O-N 3.36Å; C64-W67 PolarHBondContact O-N 2.98Å; C64-D68 WeakPolarHBondContact O-CB 3.45Å; C64-D68 PolarHBondContact O-N 2.98Å
65V93.6Very high89.9Confident77 Ų7771.8 Ų71.847%0.46736%0.361SS..Hα-helixtrans-63.4-46.3176.8175.30000111.1S61 W62 W63 W67 D68 L69S61-V65 PolarHBondContact O-N 3.17Å; W62-V65 PolarHBondContact O-N 2.67Å; W63-V65 PolarHBondContact O-N 2.67Å; V65-W67 VanDerWaalsContact C-N 3.34Å; V65-W67 PolarHBondContact O-N 3.22Å; V65-D68 PolarHBondContact O-N 3.38Å; V65-L69 HydrophobicContact CG1-CD1 3.95Å; V65-L69 VanDerWaalsContact O-CD1 3.29Å; V65-L69 WeakPolarHBondContact O-CD1 3.31Å; V65-L69 PolarHBondContact O-N 3.22Å
66F95.1Very high89.7Confident105 Ų10572.7 Ų72.746%0.46135%0.353SS..Hα-helixtrans-58.8-47177.7170.7-96.9000111.8W62 W63 D68 L69 Y70W62-F66 WeakPolarHBondContact O-CB 3.42Å; W62-F66 PolarHBondContact O-N 3.03Å; W63-F66 AromaticContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CD1 3.87Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 HydrophobicContact CH2-CD1 4.09Å; W63-F66 AromaticContact CH2-CE1 4Å; W63-F66 HydrophobicContact CH2-CE1 4Å; W63-F66 AromaticContact CZ3-CD1 3.63Å; W63-F66 HydrophobicContact CZ3-CD1 3.63Å; W63-F66 AromaticContact CZ3-CE1 3.78Å; W63-F66 HydrophobicContact CZ3-CE1 3.78Å; W63-F66 PolarHBondContact O-N 3.35Å; F66-D68 VanDerWaalsContact C-N 3.34Å; F66-L69 PolarHBondContact O-N 3.33Å; F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.48Å; F66-Y70 PolarHBondContact O-N 3.18Å
67W93.2Very high89.5Confident129 Ų12972.9 Ų72.949%0.48935%0.345SS..Hα-helixtrans-63.4-42179.8-174.6-104.1000111.5W63 C64 V65 Y70 C71W63-W67 HydrophobicContact CZ2-CE3 4.31Å; W63-W67 VanDerWaalsContact O-CB 3.26Å; W63-W67 WeakPolarHBondContact O-CB 3.21Å; W63-W67 PolarHBondContact O-N 2.99Å; C64-W67 PolarHBondContact O-N 2.98Å; V65-W67 VanDerWaalsContact C-N 3.34Å; V65-W67 PolarHBondContact O-N 3.22Å; W67-Y70 HydrophobicContact CE3-CD1 4.01Å; W67-Y70 HydrophobicContact CH2-CD1 4.28Å; W67-Y70 HydrophobicContact CH2-CE1 4.27Å; W67-Y70 AromaticContact CZ3-CD1 3.78Å; W67-Y70 HydrophobicContact CZ3-CD1 3.78Å; W67-Y70 AromaticContact CZ3-CE1 3.96Å; W67-Y70 HydrophobicContact CZ3-CE1 3.96Å; W67-Y70 WeakPolarHBondContact O-CB 3.49Å; W67-Y70 PolarHBondContact O-N 2.58Å; W67-C71 VanDerWaalsContact CE2-SG 3.55Å; W67-C71 PolarHBondContact NE1-SG 3.34Å; W67-C71 WeakPolarHBondContact O-CB 3.44Å; W67-C71 PolarHBondContact O-N 2.96Å; W67-C71 PolarHBondContact O-SG 3.44Å; W67-C71 VanDerWaalsContact O-SG 3.37Å
68D93.3Very high88.8Confident38 Ų3880.2 Ų80.220%0.20338%0.377CS..Hα-helixtrans-62.8-45.4177.3-167.837000111.9C64 V65 F66 Y70 C71 A72 H82 S83 A86C64-D68 WeakPolarHBondContact O-CB 3.45Å; C64-D68 PolarHBondContact O-N 2.98Å; V65-D68 PolarHBondContact O-N 3.38Å; F66-D68 VanDerWaalsContact C-N 3.34Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.4Å; D68-C71 PolarHBondContact O-N 3.23Å; D68-A72 VanDerWaalsContact O-CB 3.29Å; D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 3.31Å; D68-H82 WeakPolarHBondContact OD1-CA 3.26Å; D68-S83 PolarHBondContact OD1-N 3.37Å; D68-S83 WeakPolarHBondContact OD2-CB 3.41Å; D68-S83 PolarHBondContact OD2-OG 3.46Å; D68-A86 HydrophobicContact CB-CB 4.34Å; D68-A86 VanDerWaalsContact OD2-CB 3.27Å; D68-A86 WeakPolarHBondContact OD2-CB 3.43Å
69L92.6Very high88.1Confident51 Ų5181.7 Ų81.727%0.26739%0.394SS..Hα-helixtrans-63.1-37.7172.5-93.374.3000112.2V65 F66 A72 A73 A86 F89 H90V65-L69 HydrophobicContact CG1-CD1 3.95Å; V65-L69 VanDerWaalsContact O-CD1 3.29Å; V65-L69 WeakPolarHBondContact O-CD1 3.31Å; V65-L69 PolarHBondContact O-N 3.22Å; F66-L69 PolarHBondContact O-N 3.33Å; L69-A72 PolarHBondContact O-N 2.91Å; L69-A73 PolarHBondContact O-N 2.97Å; L69-A86 HydrophobicContact CD1-CB 3.97Å; L69-A86 HydrophobicContact CG-CB 4.4Å; L69-F89 HydrophobicContact CD2-CD1 3.91Å; L69-F89 HydrophobicContact CD2-CE1 4.11Å; L69-H90 PolarHBondContact O-NE2 2.97Å
70Y90.5Very high87.4Confident87 Ų8781.6 Ų81.634%0.34140%0.397SS..Hα-helixtrans-66.3-42.3178.4177.9-102.4000111.7F66 W67 D68 A73 R76F66-Y70 VanDerWaalsContact O-CB 3.26Å; F66-Y70 WeakPolarHBondContact O-CB 3.48Å; F66-Y70 PolarHBondContact O-N 3.18Å; W67-Y70 HydrophobicContact CE3-CD1 4.01Å; W67-Y70 HydrophobicContact CH2-CD1 4.28Å; W67-Y70 HydrophobicContact CH2-CE1 4.27Å; W67-Y70 AromaticContact CZ3-CD1 3.78Å; W67-Y70 HydrophobicContact CZ3-CD1 3.78Å; W67-Y70 AromaticContact CZ3-CE1 3.96Å; W67-Y70 HydrophobicContact CZ3-CE1 3.96Å; W67-Y70 WeakPolarHBondContact O-CB 3.49Å; W67-Y70 PolarHBondContact O-N 2.58Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.4Å; Y70-A73 VanDerWaalsContact O-CB 3.25Å; Y70-A73 WeakPolarHBondContact O-CB 3.29Å; Y70-A73 PolarHBondContact O-N 3.48Å; Y70-R76 PolarHBondContact OH-NH1 2.73Å
71C91.1Very high86.8Confident2 Ų287.3 Ų87.31%0.01442%0.424CS..Hα-helixtrans-69-35.7175.4-71.10000112.3W67 D68 A73 R77 C80 H82W67-C71 VanDerWaalsContact CE2-SG 3.55Å; W67-C71 PolarHBondContact NE1-SG 3.34Å; W67-C71 WeakPolarHBondContact O-CB 3.44Å; W67-C71 PolarHBondContact O-N 2.96Å; W67-C71 PolarHBondContact O-SG 3.44Å; W67-C71 VanDerWaalsContact O-SG 3.37Å; D68-C71 PolarHBondContact O-N 3.23Å; C71-A73 PolarHBondContact O-N 3.37Å; C71-R77 WeakPolarHBondContact O-CA 3.45Å; C71-R77 PolarHBondContact O-N 3Å; C71-C80 HydrophobicContact CB-CB 3.72Å; C71-H82 HydrophobicContact CB-CB 3.95Å
72A88.1Confident86.6Confident0 Ų087.4 Ų87.40%042%0.418CS..THydrogen-bonded Turntrans-73.6-7.4176.500000114.3D68 L69 H82 A86D68-A72 VanDerWaalsContact O-CB 3.29Å; D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 3.31Å; L69-A72 PolarHBondContact O-N 2.91Å; A72-H82 HydrophobicContact CB-CB 4.02Å; A72-A86 HydrophobicContact CB-CB 3.59Å
73A87.6Confident86.2Confident15 Ų1581.7 Ų81.712%0.12440%0.402CS..SBendtrans-57.5139.9177.800000110.8L69 Y70 C71 D75 R76 R77L69-A73 PolarHBondContact O-N 2.97Å; Y70-A73 VanDerWaalsContact O-CB 3.25Å; Y70-A73 WeakPolarHBondContact O-CB 3.29Å; Y70-A73 PolarHBondContact O-N 3.48Å; C71-A73 PolarHBondContact O-N 3.37Å; A73-D75 PolarHBondContact O-N 3.27Å; A73-R76 PolarHBondContact O-N 2.94Å; A73-R77 WeakPolarHBondContact O-CB 3.44Å; A73-R77 PolarHBondContact O-N 2.88Å
74P78Confident85.7Confident69 Ų6979.8 Ų79.845%0.44841%0.411SS..THydrogen-bonded Turntrans-56.7-31.4-171.919.1-31.1000113.8R76P74-R76 VanDerWaalsContact C-N 3.28Å; P74-R76 PolarHBondContact O-N 3.42Å
75D82.6Confident85.5Confident149 Ų14984.1 Ų84.180%0.79743%0.425SS*.THydrogen-bonded Turntrans-73.2-16.6178.7-53.8-48.4000114A73A73-D75 PolarHBondContact O-N 3.27Å
76R78.9Confident85.2Confident104 Ų10480.6 Ų80.639%0.39240%0.404SS..THydrogen-bonded Turntrans-125.9-21.4-167.5-56.6-178.4-154.9-94.1-4.2114Y70 A73 P74 E78 T79 C80Y70-R76 PolarHBondContact OH-NH1 2.73Å; A73-R76 PolarHBondContact O-N 2.94Å; P74-R76 VanDerWaalsContact C-N 3.28Å; P74-R76 PolarHBondContact O-N 3.42Å; R76-E78 PolarHBondContact O-N 3.05Å; R76-T79 PolarHBondContact O-N 3.15Å; R76-T79 PolarHBondContact O-OG1 3.43Å; R76-C80 PolarHBondContact O-N 2.8Å
77R73.6Confident84.8Confident74 Ų7479.2 Ų79.228%0.27940%0.397SS..THydrogen-bonded Turntrans-58.5-21.6-172.272.3176.7-177.9-135.7-5.5115.3C71 A73 T79 H82 D91C71-R77 WeakPolarHBondContact O-CA 3.45Å; C71-R77 PolarHBondContact O-N 3Å; A73-R77 WeakPolarHBondContact O-CB 3.44Å; A73-R77 PolarHBondContact O-N 2.88Å; R77-T79 VanDerWaalsContact C-N 3.28Å; R77-T79 PolarHBondContact O-N 3.26Å; R77-H82 PolarHBondContact O-CE1 3.38Å; R77-D91 IonicContact NH1-OD1 3.79Å
78E72.8Confident84.5Confident159 Ų15974.7 Ų74.774%0.74339%0.387SS*.THydrogen-bonded Turntrans-75.5-17.7176.8-55.1-63.4148.600112.6R76R76-E78 PolarHBondContact O-N 3.05Å
79T77.6Confident84.2Confident122 Ų12279 Ų7975%0.74841%0.405SS*.THydrogen-bonded Turntrans-114.9-16.2-173.962.40000114.1R76 R77R76-T79 PolarHBondContact O-N 3.15Å; R76-T79 PolarHBondContact O-OG1 3.43Å; R77-T79 VanDerWaalsContact C-N 3.28Å; R77-T79 PolarHBondContact O-N 3.26Å
80C78.6Confident83.9Confident44 Ų4479 Ų7930%0.29740%0.404SS..SBendtrans-122.3135.5-176.1-64.10000110.9C71 R76 H82C71-C80 HydrophobicContact CB-CB 3.72Å; R76-C80 PolarHBondContact O-N 2.8Å; C80-H82 PolarHBondContact O-ND1 2.93Å
81E80.4Confident83.5Confident194 Ų19477.8 Ų77.891%0.90740%0.403SS*.  trans-68.2132.5171.9-164167.3-175.600109.8
82H87.3Confident83Confident58 Ų5886.1 Ų86.127%0.26944%0.435SS..  trans-149.9156.3-172.757-80000110.8D68 C71 A72 R77 C80D68-H82 WeakPolarHBondContact OD1-CA 3.26Å; C71-H82 HydrophobicContact CB-CB 3.95Å; A72-H82 HydrophobicContact CB-CB 4.02Å; R77-H82 PolarHBondContact O-CE1 3.38Å; C80-H82 PolarHBondContact O-ND1 2.93Å
83S86.6Confident82.2Confident38 Ų3889.7 Ų89.727%0.26646%0.46SS..  trans-76.9153179.492.10000112.4D68 E85 A86 K87D68-S83 PolarHBondContact OD1-N 3.37Å; D68-S83 WeakPolarHBondContact OD2-CB 3.41Å; D68-S83 PolarHBondContact OD2-OG 3.46Å; S83-E85 PolarHBondContact O-N 3.16Å; S83-E85 PolarHBondContact OG-N 3.49Å; S83-A86 PolarHBondContact O-N 2.82Å; S83-A86 PolarHBondContact OG-N 3.37Å; S83-K87 PolarHBondContact O-N 3.38Å; S83-K87 VanDerWaalsContact O-N 3.16Å
84S84.6Confident81.1Confident102 Ų10292.1 Ų92.171%0.71348%0.48SS*.Hα-helixtrans-63.8-27174.8520000113A88S84-A88 WeakPolarHBondContact O-CB 3.1Å; S84-A88 PolarHBondContact O-N 3.07Å
85E88.8Confident80.3Confident150 Ų15092.7 Ų92.770%0.70149%0.491SS*.Hα-helixtrans-73.1-43.6178.4-62.8-172.5156.300111.2S83 K87 A88 F89S83-E85 PolarHBondContact O-N 3.16Å; S83-E85 PolarHBondContact OG-N 3.49Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.44Å; E85-A88 PolarHBondContact O-N 2.85Å; E85-F89 PolarHBondContact O-N 3.45Å
86A87.4Confident79.1Confident2 Ų289.5 Ų89.52%0.01749%0.485CS..Hα-helixtrans-64.2-39.2175.900000112D68 L69 A72 S83 F89 H90D68-A86 HydrophobicContact CB-CB 4.34Å; D68-A86 VanDerWaalsContact OD2-CB 3.27Å; D68-A86 WeakPolarHBondContact OD2-CB 3.43Å; L69-A86 HydrophobicContact CD1-CB 3.97Å; L69-A86 HydrophobicContact CG-CB 4.4Å; A72-A86 HydrophobicContact CB-CB 3.59Å; S83-A86 PolarHBondContact O-N 2.82Å; S83-A86 PolarHBondContact OG-N 3.37Å; A86-F89 PolarHBondContact O-N 2.82Å; A86-H90 PolarHBondContact O-CD2 2.9Å; A86-H90 PolarHBondContact O-N 3.4Å
87K86.4Confident77.5Confident76 Ų7687 Ų8733%0.3349%0.487SS..Hα-helixtrans-60.6-48.2172.5-174.9179-178.4-620111.5S83 E85 F89 H90 D91S83-K87 PolarHBondContact O-N 3.38Å; S83-K87 VanDerWaalsContact O-N 3.16Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.44Å; K87-F89 VanDerWaalsContact C-N 3.27Å; K87-F89 PolarHBondContact O-N 2.84Å; K87-H90 PolarHBondContact O-N 3.3Å; K87-D91 IonicContact NZ-OD2 2.65Å; K87-D91 PolarHBondContact NZ-OD2 3.4Å; K87-D91 WeakPolarHBondContact O-CB 3.35Å; K87-D91 VanDerWaalsContact O-CG 3.3Å; K87-D91 PolarHBondContact O-N 3.35Å
88A87.1Confident76.1Confident34 Ų3489.6 Ų89.628%0.28151%0.513SS..Hα-helixtrans-60-38.5178.700000111.7S84 E85 H90 D91 Y92S84-A88 WeakPolarHBondContact O-CB 3.1Å; S84-A88 PolarHBondContact O-N 3.07Å; E85-A88 PolarHBondContact O-N 2.85Å; A88-H90 PolarHBondContact O-N 3.18Å; A88-D91 PolarHBondContact O-N 2.83Å; A88-Y92 HydrophobicContact CB-CD2 4.21Å; A88-Y92 HydrophobicContact CB-CE2 4.19Å; A88-Y92 WeakPolarHBondContact O-CB 3.5Å; A88-Y92 WeakPolarHBondContact O-CD2 3.22Å; A88-Y92 PolarHBondContact O-N 3.33Å
89F88Confident74.6Confident128 Ų12886.2 Ų86.256%0.56151%0.507SS*.Hα-helixtrans-59.7-46.4177.8-169.5-95.1000112.4L69 E85 A86 K87 S93L69-F89 HydrophobicContact CD2-CD1 3.91Å; L69-F89 HydrophobicContact CD2-CE1 4.11Å; E85-F89 PolarHBondContact O-N 3.45Å; A86-F89 PolarHBondContact O-N 2.82Å; K87-F89 VanDerWaalsContact C-N 3.27Å; K87-F89 PolarHBondContact O-N 2.84Å; F89-S93 VanDerWaalsContact O-CB 3.25Å; F89-S93 WeakPolarHBondContact O-CB 3.26Å; F89-S93 PolarHBondContact O-N 2.92Å
90H86.2Confident73.2Confident53 Ų5386.7 Ų86.725%0.24551%0.512CS..Hα-helixtrans-66.5-42.1175.1-77.9-73.3000112.4L69 A86 K87 A88 S93 A94L69-H90 PolarHBondContact O-NE2 2.97Å; A86-H90 PolarHBondContact O-CD2 2.9Å; A86-H90 PolarHBondContact O-N 3.4Å; K87-H90 PolarHBondContact O-N 3.3Å; A88-H90 PolarHBondContact O-N 3.18Å; H90-S93 PolarHBondContact O-N 3.48Å; H90-A94 WeakPolarHBondContact O-CB 3.25Å; H90-A94 PolarHBondContact O-N 3.34Å
91D82.8Confident71.8Confident61 Ų6190.7 Ų90.733%0.32654%0.535SS..Hα-helixtrans-65.7-41.2-179.2-70.4-18.6000111.9R77 K87 A88 A94 A95R77-D91 IonicContact NH1-OD1 3.79Å; K87-D91 IonicContact NZ-OD2 2.65Å; K87-D91 PolarHBondContact NZ-OD2 3.4Å; K87-D91 WeakPolarHBondContact O-CB 3.35Å; K87-D91 VanDerWaalsContact O-CG 3.3Å; K87-D91 PolarHBondContact O-N 3.35Å; A88-D91 PolarHBondContact O-N 2.83Å; D91-A94 PolarHBondContact O-N 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.49Å; D91-A95 PolarHBondContact O-N 3.29Å
92Y78.9Confident70.2Confident176 Ų17689.4 Ų89.469%0.6953%0.531SS*.Hα-helixtrans-69-38.2174-79.3-62.8000112.1A88 A94 A95 A96A88-Y92 HydrophobicContact CB-CD2 4.21Å; A88-Y92 HydrophobicContact CB-CE2 4.19Å; A88-Y92 WeakPolarHBondContact O-CB 3.5Å; A88-Y92 WeakPolarHBondContact O-CD2 3.22Å; A88-Y92 PolarHBondContact O-N 3.33Å; Y92-A94 VanDerWaalsContact C-N 3.32Å; Y92-A95 PolarHBondContact O-N 3.4Å; Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.32Å; Y92-A96 PolarHBondContact O-N 3.49Å
93S73Confident68.3Low75 Ų7590 Ų9052%0.52455%0.552SS.*Hα-helixtrans-69-32.3177.7-154.70000112F89 H90 A97F89-S93 VanDerWaalsContact O-CB 3.25Å; F89-S93 WeakPolarHBondContact O-CB 3.26Å; F89-S93 PolarHBondContact O-N 2.92Å; H90-S93 PolarHBondContact O-N 3.48Å; S93-A97 PolarHBondContact O-N 3.16Å
94A64.3Low66.2Low66 Ų6695.7 Ų95.755%0.54558%0.58SS.*Hα-helixtrans-73.2-35.7172.600000112.4H90 D91 Y92H90-A94 WeakPolarHBondContact O-CB 3.25Å; H90-A94 PolarHBondContact O-N 3.34Å; D91-A94 PolarHBondContact O-N 3.26Å; Y92-A94 VanDerWaalsContact C-N 3.32Å
95A61Low64.1Low81 Ų8198.7 Ų98.767%0.66959%0.585SS**Hα-helixtrans-74.4-23.7175.400000113.6D91 Y92D91-A95 WeakPolarHBondContact O-CB 3.49Å; D91-A95 PolarHBondContact O-N 3.29Å; Y92-A95 PolarHBondContact O-N 3.4Å
96A57.6Low62Low83 Ų8396.8 Ų96.869%0.68659%0.585SS**SBendtrans-87.2-8.7177.200000113.8Y92Y92-A96 VanDerWaalsContact O-CB 3.26Å; Y92-A96 WeakPolarHBondContact O-CB 3.32Å; Y92-A96 PolarHBondContact O-N 3.49Å
97A44.7Very low60.2Low52 Ų52102.9 Ų102.943%0.4363%0.625SS.*SBendtrans-69.7129.5165.600000108.5S93 S99S93-A97 PolarHBondContact O-N 3.16Å; A97-S99 VanDerWaalsContact C-N 3.28Å; A97-S99 PolarHBondContact O-N 3.29Å
98P44.7Very low58.2Low127 Ų127106.4 Ų106.483%0.82565%0.647SS**  trans-62.598.3165.826.6-31.1000106.9P100P98-P100 WeakPolarHBondContact O-CD 3.25Å
99S39.9Very low56.3Low89 Ų89111.8 Ų111.862%0.62267%0.671SS**  trans-60.1125.7174.4-790000108.2A97 V101A97-S99 VanDerWaalsContact C-N 3.28Å; A97-S99 PolarHBondContact O-N 3.29Å; S99-V101 PolarHBondContact O-N 3.04Å
100P49.9Very low53.8Low131 Ų131108.9 Ų108.985%0.85168%0.678SS**  trans-77.165.717132.9-32.7000109P98P98-P100 WeakPolarHBondContact O-CD 3.25Å
101V48.7Very low51.7Low128 Ų128115.1 Ų115.178%0.77671%0.709SS**  trans-99.281.5169.11450000107.3S99S99-V101 PolarHBondContact O-N 3.04Å
102M45.6Very low50Low168 Ų168117.6 Ų117.683%0.82873%0.728SS**  trans-161.657.3145.9-157162.4-78.700110.9
103G49.2Very low48.5Very low69 Ų69113.3 Ų113.371%0.71174%0.737SS**  trans-110.779.2162.100000109.2
104N42Very low46.7Very low158 Ų158113 Ų11385%0.84575%0.746SS**  trans170.381.4152.9-100.822.7000110
105M40.1Very low45.8Very low166 Ų166116.2 Ų116.282%0.81876%0.762SS**  trans-110116.2148.2-101.4170.9-179.400106.5
106P44.5Very low45.1Very low109 Ų109120.9 Ų120.971%0.70877%0.772SS**  trans-63.9139.5168.927.4-31.2000108.5N108P106-N108 PolarHBondContact O-N 2.94Å
107P50Low44.6Very low131 Ų131122.2 Ų122.285%0.85177%0.774SS**  trans-72104.1174.528-28.1000107.2
108N44.4Very low44.6Very low149 Ų149126.2 Ų126.280%0.79780%0.795SS**  trans-116.7118.9168.8-162.159.2000110.2P106P106-N108 PolarHBondContact O-N 2.94Å
109D47Very low44.3Very low148 Ų148123.2 Ų123.279%0.79179%0.787SS**  trans-51144.8172.3-63.9-77000114.3
110G35.6Very low44.3Very low67 Ų67129.1 Ų129.169%0.69180%0.802SS**  trans105.992.5137.100000120.3
111M42.7Very low43.9Very low184 Ų184132.7 Ų132.791%0.90681%0.805SS**  trans64.4165.4132.6-74.2-108.9177.300121
112P45.9Very low43.3Very low113 Ų113135.6 Ų135.673%0.73481%0.81SS**  cis-126162.6-17.629.4-9.2000113.6
113G47.9Very low42.6Very low85 Ų85131 Ų13188%0.87681%0.806SS**  trans-63.9136.2175.400000114
114G36.1Very low42.6Very low69 Ų69133.5 Ų133.571%0.71181%0.81SS**  trans-112.9146.6166.600000110.9
115P44.6Very low42.6Very low134 Ų134132.1 Ų132.187%0.8781%0.809SS**PPolyproline II helixtrans-76.6135.8-165.229.7-34000113.4
116M46.9Very low42.2Very low178 Ų178127.3 Ų127.388%0.87780%0.802SS**PPolyproline II helixtrans-83.6135.9172.9-146-165.7-59.600109.8
117P45.7Very low42.3Very low112 Ų112127.7 Ų127.773%0.72781%0.807SS**PPolyproline II helixtrans-72.3143.1176.227.9-32.7000111.7
118P45.4Very low41.6Very low136 Ų136130.6 Ų130.688%0.88381%0.81SS**PPolyproline II helixtrans-83.5119.7-174.831.8-30.4000110.9
119G38.1Very low41.5Very low64 Ų64128.9 Ų128.966%0.6681%0.806SS**  trans-150.898.9176.500000112.4
120F39.2Very low40.8Very low213 Ų213127.6 Ų127.693%0.93481%0.809SS**  trans61.378.3151.7-74.8-99.9000117.9Q122F120-Q122 PolarHBondContact O-N 3.32Å
121F41.7Very low41.2Very low206 Ų206129.2 Ų129.290%0.90481%0.808SS**  trans-70.9118149.6-137-93.7000108.4
122Q35.8Very low41.2Very low188 Ų188129.1 Ų129.188%0.87980%0.804SS**  172.3123.7128.6-93.2-165.377.700112.1F120F120-Q122 PolarHBondContact O-N 3.32Å
123G30.9Very low40.7Very low73 Ų73130.5 Ų130.575%0.75381%0.811SS**  trans176.2107.9157.300000112.7
124P49.8Very low40.2Very low121 Ų121135.4 Ų135.479%0.78681%0.811SS**  -119.8171.5129.137.5-28.3000108.3
125P42.1Very low40.6Very low129 Ų129137.3 Ų137.384%0.83881%0.811SS**  cis-130.5-177.6-4.537.4-18.4000112.7
126G32Very low40.9Very low65 Ų65136 Ų13667%0.6780%0.802SS**  trans117.6105.6149.800000117.6
127S47.3Very low41.1Very low117 Ų117133.7 Ų133.782%0.81880%0.801SS**  trans18.3109.1136.6500000119.1
128Q35.4Very low40.9Very low192 Ų192137 Ų13790%0.89781%0.806SS**  trans-150.2148.6138.8-95.2-151.7-4000112.2
129P40.8Very low40.8Very low112 Ų112137.3 Ų137.373%0.72780%0.8SS**PPolyproline II helixtrans-81.6147.7-166.933-34.8000113.4
130S32.9Very low41.3Very low121 Ų121140 Ų14085%0.84681%0.806SS**PPolyproline II helixtrans-62.4130.6171.6-55.90000111.8
131P45.1Very low41.6Very low102 Ų102134.5 Ų134.566%0.66279%0.794SS**PPolyproline II helixtrans-87.1145.3160.833.5-26000109.4
132H40.8Very low41.5Very low181 Ų181132.4 Ų132.484%0.83879%0.792SS**  trans112.667.4171.6-55.9-51.4000116.9
133T37Very low42.2Very low142 Ų142129.2 Ų129.287%0.87179%0.788SS**  trans-118.4106.6137.220.10000107.6
134Q36.8Very low43.1Very low188 Ų188134.6 Ų134.688%0.87980%0.795SS**PPolyproline II helixtrans-100.3122.7165.7-103.4-166.3-24.600108.9
135P45.4Very low42.9Very low109 Ų109138.1 Ų138.171%0.70880%0.804SS**PPolyproline II helixtrans-83.7153.9158.432-28000110.5
136P49.8Very low42.7Very low106 Ų106134.5 Ų134.569%0.68879%0.79SS**PPolyproline II helixtrans-70.3152.7179.828-32.2000112
137P50.8Low43.4Very low130 Ų130137.7 Ų137.784%0.84480%0.799SS**PPolyproline II helixtrans-76.4130.5-175.230-32.2000111.9
138H42.1Very low43.2Very low183 Ų183139.5 Ų139.585%0.84779%0.794SS**PPolyproline II helixtrans-82133.3171.3-72.8-56000111.4
139N43Very low43.8Very low142 Ų142134.1 Ų134.176%0.75979%0.79SS**PPolyproline II helixtrans-87.2124.7175.3-172.513.4000110.6S141N139-S141 PolarHBondContact O-N 2.86Å
140P47.9Very low43.7Very low121 Ų121136.4 Ų136.479%0.78679%0.791SS**  trans-94.561.1-172.637.1-34.3000113.1
141S45.3Very low44.6Very low96 Ų96136 Ų13667%0.67179%0.786SS**  trans-145.869.8174.9-65.80000112.6N139N139-S141 PolarHBondContact O-N 2.86Å
142N41.4Very low44.7Very low162 Ų162140.7 Ų140.787%0.86680%0.796SS**SBendtrans-172.7141.1142.4-11411.8000111.2
143P49.5Very low44.8Very low121 Ų121139.7 Ų139.779%0.78679%0.794SS**  trans-78143.9-177.730.4-31.6000113.2
144M50.6Low44.8Very low186 Ų186138 Ų13892%0.91679%0.788SS**  trans-47.7128.7174.6-83.4149.554.200114.6
145M44.8Very low45.3Very low196 Ų196134.6 Ų134.697%0.96678%0.782SS**  trans-166.2129146.5-115.7-179.4164.400111.2
146G38.1Very low45.4Very low53 Ų53140.9 Ų140.955%0.54679%0.791SS.*  trans124.4122.8158.900000116.4H148G146-H148 PolarHBondContact O-N 2.65Å
147P47.6Very low44.9Very low131 Ų131145.7 Ų145.785%0.85180%0.797SS**  trans-83112.5175.432.6-27.9000109.8
148H42.3Very low44.5Very low155 Ų155145.5 Ų145.572%0.71880%0.796SS**  trans-11892.1175.6-68.3-49.3000110.6G146 Q150G146-H148 PolarHBondContact O-N 2.65Å; H148-Q150 PolarHBondContact O-N 2.9Å
149G47.8Very low44.4Very low79 Ų79140.9 Ų140.981%0.81480%0.798SS**PPolyproline II helixtrans-62.3120.415400000108.8
150Q39.3Very low44.5Very low160 Ų160137 Ų13775%0.74879%0.791SS**PPolyproline II helixtrans-98.4127172-71-75.2-3400108.3H148 F152H148-Q150 PolarHBondContact O-N 2.9Å; Q150-F152 PolarHBondContact O-N 3.32Å
151P51.2Low44.1Very low114 Ų114137.6 Ų137.674%0.7480%0.795SS**PPolyproline II helixtrans-73.5121.116227.6-27.9000109.3M153P151-M153 VanDerWaalsContact C-N 3.34Å; P151-M153 PolarHBondContact O-N 3.07Å
152F47Very low44.1Very low200 Ų200144.2 Ų144.288%0.87781%0.805SS**SBendtrans-74.789170.1-167.2-93.5000108.4Q150Q150-F152 PolarHBondContact O-N 3.32Å
153M43.7Very low43.8Very low160 Ų160142 Ų14279%0.78880%0.8SS**  trans161106147.2-89.4174.4147.800109.6P151P151-M153 VanDerWaalsContact C-N 3.34Å; P151-M153 PolarHBondContact O-N 3.07Å
154S37.1Very low43.3Very low106 Ų106141.7 Ų141.774%0.74180%0.801SS**  trans-86.5138.3161.9-56.50000109.2R156S154-R156 PolarHBondContact O-N 3.23Å
155P47.3Very low42.9Very low117 Ų117141.6 Ų141.676%0.7680%0.803SS**  trans-62.7109.5168.5-20.432.3000110.1Y157P155-Y157 PolarHBondContact O-N 3.38Å; P155-Y157 VanDerWaalsContact O-N 3.15Å
156R47.8Very low42.9Very low240 Ų240140.1 Ų140.191%0.90679%0.787SS**  trans-79.187.7168-78.6-179.1174.1-177.8-1.2108.8S154S154-R156 PolarHBondContact O-N 3.23Å
157Y39.1Very low43Very low207 Ų207145.5 Ų145.581%0.81280%0.8SS**  trans-112.1127.3154.3-80.2-81.8000108.8P155 G159P155-Y157 PolarHBondContact O-N 3.38Å; P155-Y157 VanDerWaalsContact O-N 3.15Å; Y157-G159 PolarHBondContact O-N 3.45Å
158P41.7Very low42.4Very low127 Ų127145.4 Ų145.483%0.82580%0.799SS**  trans-66.2115.3164.8-11.927.1000108.2G160P158-G160 PolarHBondContact O-N 2.96Å; P158-G160 VanDerWaalsContact O-N 3.15Å
159G40.7Very low42.7Very low85 Ų85145.5 Ų145.588%0.87681%0.805SS**  trans-64.6109.3172.600000110.8Y157Y157-G159 PolarHBondContact O-N 3.45Å
160G45.2Very low42.5Very low60 Ų60149.2 Ų149.262%0.61980%0.801SS**  trans-104145.8159.600000110P158 R162P158-G160 PolarHBondContact O-N 2.96Å; P158-G160 VanDerWaalsContact O-N 3.15Å; G160-R162 PolarHBondContact O-N 2.97Å
161P38.8Very low42.5Very low134 Ų134147.1 Ų147.187%0.8780%0.801SS**  trans-70.5115.7-177.128.5-31.8000110
162R45.3Very low42.1Very low235 Ų235147.2 Ų147.289%0.88780%0.802SS**PPolyproline II helixtrans-78.1129.2173.3-128.1-177.2177.3-166.3-0.6109.2G160 S164G160-R162 PolarHBondContact O-N 2.97Å; R162-S164 PolarHBondContact O-N 3.49Å
163P35.8Very low41.7Very low117 Ų117141.2 Ų141.276%0.7680%0.796SS**PPolyproline II helixtrans-63130.9175-17.829.6000110.8L165P163-L165 PolarHBondContact O-N 2.97Å
164S39.1Very low41.3Very low114 Ų114139.5 Ų139.580%0.79780%0.8SS**PPolyproline II helixtrans-66116.8173-48.20000109.8R162 R166R162-S164 PolarHBondContact O-N 3.49Å; S164-R166 PolarHBondContact O-N 2.86Å
165L42.3Very low41.5Very low184 Ų184142.3 Ų142.396%0.96381%0.805SS**  trans-61.3101.5163.5-82155.8000108.2P163P163-L165 PolarHBondContact O-N 2.97Å
166R43.8Very low41.2Very low165 Ų165142.6 Ų142.662%0.62381%0.807SS**  trans-86.8124.7178.6-170.1177.3-175.9167.51.8109.5S164 Q170S164-R166 PolarHBondContact O-N 2.86Å; R166-Q170 PolarHBondContact NH2-O 3.31Å
167M39.4Very low40.3Very low166 Ų166134.4 Ų134.482%0.81880%0.797SS**  trans-58.3136.1164.5-71.1-83.4-87.500110N169M167-N169 PolarHBondContact O-N 3.27Å
168P36.2Very low40.1Very low129 Ų129130.1 Ų130.184%0.83880%0.797SS**SBendtrans-84.975.3-174.533.4-33.2000111.3
169N47.1Very low40.1Very low157 Ų157132.7 Ų132.784%0.8480%0.798SS**  trans-172.361.3152.1-152.134.2000116M167M167-N169 PolarHBondContact O-N 3.27Å
170Q43.8Very low40.5Very low157 Ų157133.9 Ų133.973%0.73479%0.79SS**  trans-143.6137.4167-104.1-169.9-2000113.2R166R166-Q170 PolarHBondContact NH2-O 3.31Å
171P39.2Very low40.4Very low115 Ų115138.6 Ų138.675%0.74780%0.801SS**  trans-75.8155.8-179.532.3-33.2000112
172P42.8Very low40.7Very low117 Ų117140.3 Ų140.376%0.7680%0.802SS**  trans-95135-169.133.9-29.6000114
173G39.5Very low40.7Very low73 Ų73134.8 Ų134.875%0.75380%0.796SS**  trans143.4101.9149.100000116.8
174S35.6Very low40.7Very low125 Ų125137 Ų13787%0.87480%0.802SS**  trans171.1127.1138.8560000111.5
175I40.3Very low40.6Very low164 Ų164136.1 Ų136.184%0.84180%0.795SS**  trans-120.2174.9163.2-31.5177.9000107.4
176P41.1Very low41.1Very low124 Ų124135.4 Ų135.481%0.80579%0.792SS**  -114.6160.6-92.836.7-20.6000113.3
177G29.8Very low40.8Very low67 Ų67133.4 Ų133.469%0.69179%0.793SS**  trans158.8131.1159.600000117
178S34.9Very low41.1Very low118 Ų118131.3 Ų131.383%0.82579%0.792SS**  trans56.4112.3148.451.90000120.2
179Q41Very low41.5Very low180 Ų180130.6 Ų130.684%0.84179%0.786SS**  trans-53.5149.2151.8-75.5-95.3-31.800111.3
180P49.4Very low41Very low110 Ų110134.9 Ų134.971%0.71479%0.79SS**  -145.9147.1100.234.7-17.3000116.3
181L42.4Very low41.1Very low159 Ų159133 Ų13383%0.83279%0.792SS**  trans57.9126138.6-59168.6000120.9
182L44.8Very low41Very low170 Ų170137.1 Ų137.189%0.8980%0.801SS**  trans-61161.4177-61.4161.2000114.2
183P45.7Very low40.6Very low120 Ų120135.5 Ų135.578%0.77981%0.805SS**  -130146.8116.136.2-27000113.6
184N35.9Very low40.3Very low164 Ų164141 Ų14188%0.87781%0.811SS**  trans-79.7122.7179.8-164.848.8000110.6
185S38.3Very low40.9Very low94 Ų94141 Ų14166%0.65781%0.808SS**  trans-171.8114.516143.10000113.9
186L52.7Low40.6Very low169 Ų169139.9 Ų139.989%0.88580%0.804SS**  trans76.491.1143.3-67.7151.2000119.7
187D37.8Very low40.8Very low124 Ų124142.3 Ų142.366%0.66381%0.806SS**  trans-61.7126.9158.1168.314.3000112.4T189D187-T189 PolarHBondContact OD1-N 2.78Å; D187-T189 VanDerWaalsContact OD1-N 3.17Å; D187-T189 PolarHBondContact OD1-OG1 2.91Å
188P45.2Very low41.2Very low121 Ų121143 Ų14379%0.78681%0.814SS**SBendtrans-100.954.4178.438.1-32.3000114
189T43.3Very low41.4Very low115 Ų115141.1 Ų141.171%0.70681%0.813SS**  trans-134.621.3176.6610000118.1D187D187-T189 PolarHBondContact OD1-N 2.78Å; D187-T189 VanDerWaalsContact OD1-N 3.17Å; D187-T189 PolarHBondContact OD1-OG1 2.91Å
190R38.3Very low41.8Very low247 Ų247138.2 Ų138.293%0.93281%0.81SS**  trans-100.7132.5171.2-159.7172.4-178.4138-0.5113.4
191P45.6Very low41.3Very low118 Ų118141.1 Ų141.177%0.76682%0.816SS**  trans-90.8143-167.135.1-34.4000114.2
192Q37.3Very low41.5Very low201 Ų201144.5 Ų144.594%0.93982%0.818SS**  trans-144.7125165.8-98-155.5-28.700111.8
193G32.6Very low41.3Very low83 Ų83145.3 Ų145.386%0.85682%0.819SS**  trans93.8108.2140.200000120
194H35Very low41.5Very low189 Ų189146.3 Ų146.388%0.87582%0.818SS**  trans-74.1161.9166.2-91.7-83.5000113
195P48.3Very low42.2Very low124 Ų124144.2 Ų144.281%0.80581%0.813SS**  -144.9144.693.335.9-17.8000116.4
196N34.1Very low43Very low140 Ų140145.7 Ų145.775%0.74982%0.82SS**  trans84.490.4143.4-148.519.2000120.2
197M44.3Very low42.7Very low175 Ų175149.6 Ų149.686%0.86282%0.823SS**  177.3115.5112-92.8-172.8-173.700110.9
198G39Very low42.7Very low83 Ų83147 Ų14786%0.85683%0.827SS**  trans77.2106.4152.500000119.7
199G38.8Very low42.4Very low78 Ų78150.8 Ų150.880%0.80484%0.836SS**  trans-79.4-165.815800000112.6
200P48.4Very low42Very low119 Ų119149 Ų14977%0.77384%0.84SS**  cis-130.2166.4-7.440.2-23.4000115.2
201M39.7Very low42Very low170 Ų170141.1 Ų141.184%0.83784%0.836SS**  trans64107.5141.1-67.6-91.9-142.500121.8
202R47.1Very low41.7Very low231 Ų231145.1 Ų145.187%0.87285%0.847SS**  12.8130.8126.7-64179.8176.2-88.9-1.1118.3
203M40.3Very low41.9Very low187 Ų187138.7 Ų138.792%0.92184%0.835SS**  trans-159.2138.2132.7-155.756.216700113.8
204N50Low42.5Very low140 Ų140140.8 Ų140.875%0.74983%0.833SS**PPolyproline II helixtrans-53.2153.8167.8-97.2-0.9000112.6P206N204-P206 WeakPolarHBondContact O-CD 3.43Å
205P50Low42.7Very low120 Ų120140.8 Ų140.878%0.77983%0.834SS**PPolyproline II helixtrans-77.1125.4168.930.5-28.9000110.3
206P54.5Low42Very low125 Ų125142.3 Ų142.381%0.81284%0.835SS**PPolyproline II helixtrans-84.9137.7175.732.9-29.6000111N204N204-P206 WeakPolarHBondContact O-CD 3.43Å
207R48.1Very low41.9Very low251 Ų251146 Ų14695%0.94784%0.84SS**PPolyproline II helixtrans-67.9125.2160.4-177.9176.8178.5115.4-4.2108.9
208G36.8Very low41.4Very low71 Ų71141.5 Ų141.573%0.73284%0.839SS**  trans93108.3152.300000118
209M39.9Very low41.3Very low199 Ų199141.4 Ų141.498%0.9884%0.837SS**  trans178.6119.7144.7-104.2-173.3164.400105.1
210G34.2Very low41.4Very low77 Ų77141 Ų14179%0.79483%0.834SS**  105.876.553.600000107.6
211G37.9Very low41.2Very low83 Ų83144.8 Ų144.886%0.85684%0.843SS**  trans-98.9115.3172.300000109.9
212M40.1Very low41.8Very low202 Ų202148.1 Ų148.1100%0.99585%0.846SS**  trans-62.9127.8-177.3-69.3157.59100112.5
213G41.2Very low41.9Very low66 Ų66142.9 Ų142.968%0.6884%0.842SS**  trans-146.5144162.300000108.8
214P44.7Very low42.6Very low127 Ų127139.5 Ų139.583%0.82583%0.834SS**  trans-79.6146.1-149.430.4-34.4000115.5
215Q40Very low42.4Very low189 Ų189138.4 Ų138.488%0.88384%0.835SS**  trans-5.6129.4162-69.5156.1-54.500118.5
216N33Very low42Very low156 Ų156140.8 Ų140.883%0.83484%0.841SS**  -163.2153119-149.83.9000113.7
217Y31.7Very low41.2Very low218 Ų218140.7 Ų140.786%0.85584%0.843SS**  trans-57.3152.5-170.4-92.8-115.3000119.5
218G34.3Very low40.7Very low80 Ų80138.1 Ų138.183%0.82585%0.845SS**  trans81.8131.2147.300000115.2
219G36.4Very low40.6Very low80 Ų80138.1 Ų138.183%0.82585%0.845SS**  cis131.111327.200000107.2
220G42.1Very low40.9Very low71 Ų71135.4 Ų135.473%0.73284%0.841SS**  trans75131.614900000120.9
221M42.3Very low41Very low197 Ų197135.6 Ų135.697%0.9784%0.844SS**  trans83118.1138-44.1-146.1-170.100119.7
222R53.6Low41.3Very low240 Ų240138.2 Ų138.291%0.90684%0.835SS**  trans-87154.4155.4-105.3177.4163.4-149.6-3.7108.4
223P48.8Very low41.4Very low122 Ų122135 Ų13579%0.79283%0.829SS**  -153.7-156.365.247.2-24.1000114.9
224P54.6Low41.2Very low116 Ų116134.6 Ų134.675%0.75383%0.826SS**  trans-100.4-158.2-135.136-11.5000113.2
225P45.8Very low41Very low117 Ų117135.8 Ų135.876%0.7682%0.822SS**  cis-134.5-168.7-4.437.8-14.3000114.3
226N42.4Very low40.8Very low170 Ų170134.7 Ų134.791%0.90982%0.822SS**  trans1.6122.5167.3-88.221.6000119.9
227S36.8Very low41.3Very low122 Ų122135.4 Ų135.485%0.85382%0.823SS**  trans-137.3133.4154.9650000112.4
228M38.8Very low41.4Very low198 Ų198128.3 Ų128.398%0.97582%0.816SS**  trans-74.2142.3-170.1-68.7150.5164.900113.4
229G34.6Very low41.8Very low71 Ų71130.8 Ų130.873%0.73282%0.818SS**  trans-106.8142.215800000110.5
230P46.6Very low41.9Very low141 Ų141131.1 Ų131.192%0.91682%0.821SS**  trans-89.3134.5-16333.5-32.9000113.8
231G36Very low41.6Very low82 Ų82131.3 Ų131.385%0.84582%0.822SS**  trans172.684.2171.400000112.3
232M44.5Very low41.4Very low137 Ų137133.9 Ų133.968%0.67582%0.822SS**  trans-122.7142.4168.4-107.6-90-17800107.1G234 M235M232-G234 VanDerWaalsContact SD-CA 3.57Å; M232-M235 HydrophobicContact SD-SD 4.42Å
233P42.1Very low40.6Very low134 Ų134125.8 Ų125.887%0.8781%0.812SS**  -142.1153.784.336.3-19.9000112.7
234G35.8Very low40.3Very low59 Ų59126 Ų12661%0.60881%0.814SS**  cis-158.2163.38.300000110.7M232M232-G234 VanDerWaalsContact SD-CA 3.57Å
235M41.8Very low39.5Very low152 Ų152132 Ų13275%0.74982%0.821SS**  trans-63.9142.5-178.3-71.686.2165.800113.7M232M232-M235 HydrophobicContact SD-SD 4.42Å
236N35.8Very low39.5Very low165 Ų165132.2 Ų132.288%0.88282%0.823SS**  trans-131.9112.1133.8-16929.4000108.3
237M42.3Very low39.1Very low172 Ų172130.5 Ų130.585%0.84781%0.814SS**  trans-82.6133.5173-82.3-179.2169.500109.6
238G33.8Very low39.5Very low69 Ų69130.2 Ų130.271%0.71181%0.809SS**  trans-178.3147.2166.800000111.8
239P42.5Very low39.2Very low132 Ų132127.8 Ų127.886%0.85780%0.8SS**  -106.3154.4-127.537.1-32.6000115.6
240G39.7Very low39.1Very low86 Ų86131.1 Ų131.189%0.88780%0.801SS**  trans64.2113.2141.300000118.9
241G34.8Very low38.7Very low75 Ų75132.8 Ų132.877%0.77380%0.802SS**  trans173.999.916400000112.8G243G241-G243 PolarHBondContact O-N 3.32Å
242R38.5Very low38.7Very low252 Ų252133.3 Ų133.395%0.95179%0.793SS**PPolyproline II helixtrans-59.1118.9170.6-68.3169.2171.7-107.90.5108.7
243G36.3Very low38.5Very low69 Ų69133.8 Ų133.871%0.71180%0.797SS**PPolyproline II helixtrans-66.6135.2171.100000110.7G241G241-G243 PolarHBondContact O-N 3.32Å
244P43.6Very low38Very low126 Ų126131.3 Ų131.382%0.81879%0.788SS**PPolyproline II helixtrans-75.9146.3175.730.1-30.7000111.1
245W36.4Very low37.7Very low242 Ų242139.1 Ų139.192%0.91780%0.8SS**  trans-43.4149179.7-65.284.9000115.4N247W245-N247 PolarHBondContact O-N 3Å
246P45.9Very low37.2Very low123 Ų123136.7 Ų136.780%0.79980%0.798SS**  trans-74.6121.6178.829.8-31.6000111.2
247N35.3Very low37.3Very low133 Ų133133.9 Ų133.971%0.71179%0.791SS**  trans-82.7131.9172.6-167.744.6000110.2W245 N249W245-N247 PolarHBondContact O-N 3Å; N247-N249 PolarHBondContact O-N 3.27Å
248P43.7Very low36.8Very low116 Ų116131.7 Ų131.775%0.75379%0.793SS**  trans-90.480.7177.235.1-29.9000110
249N33.3Very low36.8Very low148 Ų148133.9 Ų133.979%0.79180%0.798SS**  trans-129.190.4165.6-109.42.5000108.8N247N247-N249 PolarHBondContact O-N 3.27Å
250N31.8Very low36.9Very low140 Ų140133.5 Ų133.575%0.74980%0.795SS**  trans-108.487.7174.4-167-6.1000109.2S252N250-S252 PolarHBondContact OD1-N 3.4Å
251N38.9Very low36.7Very low176 Ų176133.2 Ų133.294%0.94179%0.792SS**  trans-11880.6152.4-93-28.4000106.4
252S36.8Very low36.5Very low94 Ų94137.7 Ų137.766%0.65780%0.798SS**  trans-138.2108.8164.3-179.20000108.6N250 A254N250-S252 PolarHBondContact OD1-N 3.4Å; S252-A254 PolarHBondContact O-N 3.43Å
253I39.6Very low36.5Very low146 Ų146136 Ų13675%0.74979%0.793SS**  trans-66121.8170.4-68157.1000107.1Y255I253-Y255 HydrophobicContact CG2-CE2 4.34Å; I253-Y255 PolarHBondContact O-N 2.79Å
254A31.7Very low36.5Very low82 Ų82139.1 Ų139.168%0.67880%0.799SS**  trans-65.6111.7175.900000110.9S252S252-A254 PolarHBondContact O-N 3.43Å
255Y28.4Very low36.4Very low224 Ų224136.3 Ų136.388%0.87879%0.793SS**  trans-95.793.6153.6-82.5-80.8000108.4I253 S257I253-Y255 HydrophobicContact CG2-CE2 4.34Å; I253-Y255 PolarHBondContact O-N 2.79Å; Y255-S257 PolarHBondContact O-N 3.3Å
256S32.4Very low36.9Very low101 Ų101130.7 Ų130.771%0.70679%0.787SS**  trans-72.8113.4170.4-63.50000110.7
257S36.8Very low37Very low105 Ų105130.6 Ų130.673%0.73479%0.787SS**  trans13.8125.3135.259.20000119.4Y255Y255-S257 PolarHBondContact O-N 3.3Å
258S33.4Very low37.1Very low126 Ų126128.5 Ų128.588%0.88180%0.796SS**  trans-150.4116.9144.1-63.20000109.7
259S33.1Very low36.7Very low116 Ų116127 Ų12781%0.81180%0.802SS**  trans-77.8-166.3176.5-540000112.5
260P45.4Very low36.8Very low124 Ų124124 Ų12481%0.80581%0.806SS**  -118152.4-78.235.1-19.1000114
261G34.9Very low37Very low80 Ų80121 Ų12183%0.82581%0.808SS**  trans53.2117.115000000121.9
262N30.4Very low37.6Very low168 Ų168118.7 Ų118.790%0.89880%0.803SS**  trans-154.7140.3139.5-152.925.8000112.2
263Y38.5Very low38.2Very low216 Ų216120 Ų12085%0.84781%0.809SS**  trans-56.6151-179.2-110-113.1000114.2
264V35.6Very low38.2Very low136 Ų136116.5 Ų116.582%0.82481%0.809SS**  trans148.5102.8138.6169.50000109.1
265G42.9Very low38.7Very low67 Ų67118.5 Ų118.569%0.69181%0.813SS**  trans-79.6164.9163.200000111.4
266P47.2Very low39.3Very low124 Ų124114.1 Ų114.181%0.80581%0.812SS**  -148.6-168.412345.4-28.3000111.9
267P47.5Very low40Very low121 Ų121117 Ų11779%0.78682%0.818SS**  -118.2151.1-108.225-1.4000114.9
268G37.2Very low40.2Very low88 Ų88119.2 Ų119.291%0.90782%0.818SS**  trans57.4123.6143.200000121.2
269G35.5Very low41Very low86 Ų86118.6 Ų118.689%0.88781%0.811SS**  trans153.4110.8145.200000117
270G34.7Very low41.2Very low84 Ų84118.1 Ų118.187%0.86681%0.808SS**  trans103.2107.9147.600000118.3
271G35.7Very low41.3Very low77 Ų77118.1 Ų118.179%0.79481%0.808SS**  trans-78.2-157.7167.700000113.8
272P52.5Low41.5Very low128 Ų128117 Ų11783%0.83180%0.797SS**  cis-138.9-145.818.140.4-14.9000113.5
273P49.2Very low42.2Very low120 Ų120117.1 Ų117.178%0.77980%0.797SS**  -123.1160.1-108.536.5-16000116.3
274G38.8Very low42.3Very low73 Ų73112.1 Ų112.175%0.75379%0.794SS**  trans90.491.9143.800000119.4
275T42.2Very low43Very low125 Ų125112.6 Ų112.677%0.76780%0.797SS**  trans-150.5130.9135.451.20000108.2I277T275-I277 PolarHBondContact O-N 3.49Å
276P42Very low42.9Very low132 Ų132116 Ų11686%0.85780%0.8SS**  trans-68.8122.6176.127.4-30.2000109.6M278P276-M278 PolarHBondContact O-N 3.17Å
277I47.3Very low42.6Very low160 Ų160113.2 Ų113.282%0.82178%0.783SS**  trans-65.6111.3172-62.5173.8000107.2T275T275-I277 PolarHBondContact O-N 3.49Å
278M39.4Very low42.8Very low153 Ų153113.5 Ų113.575%0.75479%0.788SS**PPolyproline II helixtrans-58.7129.3164.8-116.5-178.665.800108.2P276 S280P276-M278 PolarHBondContact O-N 3.17Å; M278-S280 PolarHBondContact O-N 3.3Å
279P51.5Low43.6Very low112 Ų112116.3 Ų116.373%0.72778%0.778SS**PPolyproline II helixtrans-64.7126169.826.4-30000108.3
280S37.6Very low44.3Very low107 Ų107118.1 Ų118.175%0.74877%0.767SS**PPolyproline II helixtrans-47.4131.7167-58.40000109.6M278 G282M278-S280 PolarHBondContact O-N 3.3Å; S280-G282 PolarHBondContact O-N 3.18Å
281P46.9Very low45.1Very low124 Ų124121.2 Ų121.281%0.80576%0.762SS**  trans-57.6112.8167.8-22.133.4000108.1
282G39.5Very low45.5Very low57 Ų57128 Ų12859%0.58877%0.765SS**  trans-59.7151-178.600000111.8S280 S284S280-G282 PolarHBondContact O-N 3.18Å; G282-S284 PolarHBondContact O-N 3.25Å; G282-S284 VanDerWaalsContact O-N 3.15Å
283D45.5Very low45.5Very low169 Ų169126.9 Ų126.990%0.90476%0.756SS**  trans-40.7117.1163.7-57.9-67.2000110.5
284S39Very low45.5Very low111 Ų111128.9 Ų128.978%0.77676%0.757SS**  trans-134.992.1170-73.50000108.8G282 N286G282-S284 PolarHBondContact O-N 3.25Å; G282-S284 VanDerWaalsContact O-N 3.15Å; S284-N286 PolarHBondContact O-N 2.98Å; S284-N286 VanDerWaalsContact O-N 3.08Å
285T50.4Low46Very low147 Ų147134 Ų13490%0.90276%0.763SS**  trans-51.597.4152.127.30000110.2
286N40.4Very low45.8Very low139 Ų139133.4 Ų133.474%0.74376%0.756SS**  trans-157.4123.7152.9-151.7-30.9000112.9S284S284-N286 PolarHBondContact O-N 2.98Å; S284-N286 VanDerWaalsContact O-N 3.08Å
287S42.2Very low46.1Very low65 Ų65133.2 Ų133.246%0.45575%0.754SS.*  trans60.1105.4149.647.50000122.5E289S287-E289 PolarHBondContact O-N 3.15Å; S287-E289 VanDerWaalsContact O-N 3.11Å
288S51Low46.2Very low127 Ų127131.8 Ų131.889%0.88875%0.747SS**SBendtrans-70.840.4160.451.70000115.2
289E53.8Low46.3Very low147 Ų147127.6 Ų127.669%0.68774%0.744SS**  trans-113.2-4.3-169.1-67.5176.3170.100115.2S287S287-E289 PolarHBondContact O-N 3.15Å; S287-E289 VanDerWaalsContact O-N 3.11Å
290N50.1Low46.1Very low123 Ų123128.6 Ų128.666%0.65875%0.75SS**SBendtrans-97.42.9-171.9-80.7-38.3000116.8
291I52.8Low46.4Very low149 Ų149127.5 Ų127.576%0.76476%0.756SS**SBendtrans-88.1-22.8-177.6-56.7-169.9000112.7
292Y44.3Very low46.1Very low220 Ų220125 Ų12586%0.86375%0.752SS**SBendtrans-89-9-179.8-79.7-78.1000115.3
293T52.1Low45.9Very low105 Ų105130.3 Ų130.364%0.64477%0.767SS**SBendtrans-96.1-11.2-172.8-42.40000114.2M295T293-M295 VanDerWaalsContact C-N 3.29Å; T293-M295 PolarHBondContact O-N 3.08Å
294M47.8Very low45.9Very low162 Ų162133.9 Ų133.980%0.79877%0.768SS**THydrogen-bonded Turntrans-80.3-3.2-179.8-74.2-172.7-79.400114.6
295M49.9Very low46Very low179 Ų179134.2 Ų134.288%0.88277%0.767SS**THydrogen-bonded Turntrans-11320.5-172.9-129.680.614400115.1T293T293-M295 VanDerWaalsContact C-N 3.29Å; T293-M295 PolarHBondContact O-N 3.08Å
296N38.8Very low45.3Very low113 Ų113134.1 Ų134.160%0.60476%0.761SS**  trans-134.5120.2176.7-157.439.9000111.7I298N296-I298 PolarHBondContact ND2-O 2.85Å; N296-I298 PolarHBondContact O-N 3.11Å; N296-I298 VanDerWaalsContact O-N 3.12Å
297P47.8Very low44.9Very low128 Ų128136.4 Ų136.483%0.83177%0.765SS**SBendtrans-79.917.9179.431.5-31000113.8
298I50.3Low45.3Very low130 Ų130138.4 Ų138.467%0.66778%0.776SS**  trans-137.4102.5-176.7-59.7169.4000108.8N296N296-I298 PolarHBondContact ND2-O 2.85Å; N296-I298 PolarHBondContact O-N 3.11Å; N296-I298 VanDerWaalsContact O-N 3.12Å
299G40.8Very low44.8Very low66 Ų66141.8 Ų141.868%0.6878%0.781SS**PPolyproline II helixtrans-82.9147.6175.800000112.7
300P47.5Very low44Very low132 Ų132137.9 Ų137.986%0.85778%0.78SS**PPolyproline II helixtrans-70.3135.9175.428.5-31.6000110.9
301G44Very low43.7Very low85 Ų85138.3 Ų138.388%0.87679%0.789SS**PPolyproline II helixtrans-62.1144.2-176.500000114.2
302G41.1Very low43.1Very low70 Ų70134.6 Ų134.672%0.72279%0.788SS**  trans173.2109.9166.700000112.9
303N35.1Very low43.2Very low169 Ų169129.5 Ų129.590%0.90478%0.781SS**  trans72.496.5164.4-70.1-15000120
304R44.8Very low42.6Very low245 Ų245132.4 Ų132.493%0.92579%0.793SS**PPolyproline II helixtrans-89.6132.5153.4-74.4-179.4171.7-176.6-2.8109.9
305P41.5Very low42.1Very low118 Ų118128.3 Ų128.377%0.76679%0.792SS**PPolyproline II helixtrans-69.6126.8160.1-13.328.2000110.3
306N35.4Very low41.9Very low145 Ų145125.5 Ų125.578%0.77579%0.787SS**PPolyproline II helixtrans-59.9122.7172.2179.664.7000111.5
307F32.3Very low42.1Very low187 Ų187129.1 Ų129.182%0.8280%0.803SS**  trans-106.2136.1157.6-82.4-79.9000109
308P50.6Low41.8Very low107 Ų107127.2 Ų127.270%0.69581%0.806SS**PPolyproline II helixtrans-80.7139.6-166.131.9-33.6000112.5G310P308-G310 PolarHBondContact O-N 3.38Å
309M39.3Very low41.2Very low198 Ų198124.2 Ų124.298%0.97581%0.807SS**PPolyproline II helixtrans-63.9122162.1-86.1-156.4-81.400109.7
310G37.4Very low41.2Very low65 Ų65130.9 Ų130.967%0.6782%0.823SS**PPolyproline II helixtrans-88.7155.1166.900000112P308P308-G310 PolarHBondContact O-N 3.38Å
311P44.6Very low40.6Very low132 Ų132128 Ų12886%0.85782%0.817SS**PPolyproline II helixtrans-77144.4-166.832.3-34.2000113
312G40.1Very low40.2Very low71 Ų71128.9 Ų128.973%0.73282%0.816SS**PPolyproline II helixtrans-73.9171173.900000113.8
313P47.3Very low40.1Very low112 Ų112133.1 Ų133.173%0.72782%0.819SS**  -143.5149.3124.735.5-18.8000115.2
314D38.3Very low40Very low167 Ų167132.1 Ų132.189%0.89381%0.809SS**  trans76.7104.2147.5-53-29.1000123.2
315G36.7Very low39.9Very low75 Ų75128.9 Ų128.977%0.77380%0.804SS**  trans148.1141.1140.400000117.2
316P47.3Very low39.7Very low121 Ų121131.2 Ų131.279%0.78681%0.805SS**  trans-121.6151.6-136.338.3-24.2000117.1
317M42.9Very low40.3Very low189 Ų189133 Ų13393%0.93181%0.808SS**  trans156.2108.6145.3-96.1-173.2-102.600107.8
318G40.7Very low40.6Very low87 Ų87133.2 Ų133.290%0.89781%0.814SS**  96.3127.37400000107.9
319G37.6Very low40Very low67 Ų67135.9 Ų135.969%0.69182%0.823SS**  cis177165.71.200000106.2
320M40.9Very low39.8Very low207 Ų207129.5 Ų129.5100%1.0281%0.807SS**  trans75.7128.6172.9-53.6172.5166.400115.1
321G35.4Very low39.8Very low71 Ų71131.5 Ų131.573%0.73281%0.811SS**  cis146.2102.81600000105.9
322A35.3Very low39.8Very low103 Ų103133.3 Ų133.385%0.85181%0.813SS**  74.1126.3118.200000117.5
323M38.6Very low39.5Very low160 Ų160133.7 Ų133.779%0.78882%0.817SS**  trans101.9100.1137.7-143.1149.8-169.700119.8
324E32.4Very low39.2Very low148 Ų148134.8 Ų134.869%0.69283%0.827SS**  trans58.1138.4131.3-72-178128.300123.8
325Q43.3Very low39.3Very low176 Ų176130.2 Ų130.282%0.82282%0.819SS**  trans-72.8122.9169.9-64.5174.3-5.500110.8
326H37.7Very low39.9Very low167 Ų167134.2 Ų134.277%0.77382%0.823SS**  trans-148.2136.2155.5-75.5-63.2000112.5
327H47.9Very low40.2Very low184 Ų184137.5 Ų137.585%0.85283%0.83SS**  trans-75.4133175.9-64.3-127.6000110
328M38.8Very low40.5Very low190 Ų190136.1 Ų136.194%0.93683%0.827SS**  trans-146.3128.5164.5-147.175.2176.800111.4
329N37.9Very low40.3Very low164 Ų164135.3 Ų135.388%0.87782%0.818SS**  trans-68139.8172.7174.127.1000112.2
330G35.1Very low40.6Very low63 Ų63140.5 Ų140.565%0.64983%0.829SS**  trans118.9128.8138.200000120
331S36.4Very low41.1Very low108 Ų108135.4 Ų135.476%0.75581%0.812SS**  trans109.7110.4134.6-150.50000119
332L45.4Very low41.3Very low170 Ų170142.3 Ų142.389%0.8982%0.821SS**  169.8122.8103-82.4172.2000109.9
333G33.4Very low41.3Very low79 Ų79144.6 Ų144.681%0.81482%0.819SS**  trans-96.4-179.1-175.400000115.7
334S40.8Very low41.5Very low134 Ų134141.6 Ų141.694%0.93781%0.814SS**  trans178.5129.7138.8-171.40000110.9
335G40.9Very low42.3Very low71 Ų71140.2 Ų140.273%0.73282%0.818SS**  trans133.858.3148.900000118.5
336D48.6Very low42Very low160 Ų160139.8 Ų139.886%0.85682%0.821SS**  trans-71.9135.1160.2-59.2-76.6000111.1
337M54.4Low42.1Very low189 Ų189138.6 Ų138.693%0.93182%0.82SS**  trans-152.5109.8155.9-101.7-79.9-156.500108.7
338D48.3Very low41.6Very low161 Ų161137.5 Ų137.586%0.86182%0.818SS**  trans-57156.6179.9-64.2-84.2000116
339G36.3Very low41.5Very low70 Ų70132.9 Ų132.972%0.72281%0.81SS**  trans150.592.2144.400000118.3
340L44.9Very low42.1Very low176 Ų176128.5 Ų128.592%0.92180%0.803SS**  trans99.9144.9148.1-59.6171.5000120.1
341P50.6Low42.4Very low100 Ų100134.8 Ų134.865%0.64982%0.818SS**  trans-105.3150-140.837.6-30.5000114.3N343P341-N343 PolarHBondContact O-N 3.12Å; P341-N343 VanDerWaalsContact O-N 3.17Å
342K40.3Very low42.4Very low215 Ų215137.8 Ų137.894%0.93583%0.825SS**  trans-72.599.8162-72-177.5177.9177.70108.9
343N34.4Very low42.1Very low152 Ų152137.2 Ų137.281%0.81382%0.823SS**  trans-83.4117.8170.2-122.8-31.3000109.8P341P341-N343 PolarHBondContact O-N 3.12Å; P341-N343 VanDerWaalsContact O-N 3.17Å
344S42.6Very low43Very low97 Ų97138.4 Ų138.468%0.67882%0.817SS**  trans-67.6174.1154.4-66.50000109.8
345P50.1Low43.3Very low118 Ų118138.8 Ų138.877%0.76682%0.816SS**  -143.4131.7102.833.1-17.2000113.1
346N37.7Very low43.1Very low168 Ų168138.6 Ų138.690%0.89881%0.814SS**  trans-14993.3137.1-115.723.8000109.1
347N38.1Very low43Very low141 Ų141138 Ų13875%0.75482%0.816SS**  trans-61150153.2-131.39.1000107.1
348M38.3Very low42.7Very low161 Ų161134.5 Ų134.579%0.79381%0.808SS**  cis-174.8159.119.6-173.8148.7166.200108
349A37.2Very low42.4Very low94 Ų94138.4 Ų138.478%0.77781%0.811SS**  trans81.396.7152.400000120.5
350G49.3Very low42.7Very low71 Ų71141.8 Ų141.873%0.73281%0.812SS**  70.589.2110.500000119.1
351M41.4Very low42.5Very low196 Ų196140.4 Ų140.497%0.96681%0.806SS**  trans-167.884.2147.8-99.7137.2170.200109.5
352N36.5Very low41.8Very low170 Ų170138.7 Ų138.791%0.90981%0.806SS**  trans-105.1110.9159.7-97.6-54.5000106.8
353N41Very low41.9Very low158 Ų158137.1 Ų137.185%0.84580%0.802SS**  trans-131.6123.5161.4-143.545.7000107.7
354P52Low42.1Very low104 Ų104138.8 Ų138.868%0.67581%0.807SS**  trans-79161.2177.232.5-32.3000111.3G356P354-G356 PolarHBondContact O-N 3.05Å
355P45.8Very low41.8Very low143 Ų143139.3 Ų139.393%0.92982%0.817SS**  trans-79.1113.1-177.331.1-30.3000110.2
356G38Very low41.1Very low67 Ų67136.8 Ų136.869%0.69181%0.813SS**  trans-143.3125.117200000110.4P354P354-G356 PolarHBondContact O-N 3.05Å
357T46.1Very low41Very low146 Ų146135.8 Ų135.890%0.89681%0.807SS**  trans-73.7143.3171.949.60000111.8
358P47.3Very low40.8Very low117 Ų117137.7 Ų137.776%0.7681%0.809SS**  -139.1132.3128.224-3.9000111.3
359R41.6Very low40.9Very low243 Ų243137.4 Ų137.492%0.91781%0.81SS**  72.3127.384.5-159.9168-176.5145.4-1113.3
360D44.3Very low40.8Very low141 Ų141139.7 Ų139.775%0.75481%0.81SS**  trans-51.9175.6-175.7-139.6-75000117
361D40.8Very low40.5Very low147 Ų147142.1 Ų142.179%0.78681%0.812SS**  trans100.3118.3163.9-57.3-56.8000119.7
362G35.5Very low40.3Very low64 Ų64142.2 Ų142.266%0.6681%0.808SS**  trans123.473.3134.200000119.8
363E42.1Very low40.3Very low181 Ų181142.4 Ų142.485%0.84680%0.803SS**  trans19132.813667.2-159130.100122.9
364M39.1Very low40.1Very low188 Ų188139.7 Ų139.793%0.92680%0.797SS**  126.2126.3126.3-145.8172.7-153.700117.3
365A35.4Very low39.4Very low107 Ų107143.4 Ų143.488%0.88481%0.805SS**  trans101.6111.1170.300000114.2
366G35.5Very low39.1Very low65 Ų65142.3 Ų142.367%0.6780%0.801SS**  cis132.6112.714.700000109.2
367N35.9Very low39.1Very low147 Ų147149.8 Ų149.879%0.78681%0.809SS**  trans62.4131.3163.5-57.4-16.6000116.5
368F34.2Very low38.6Very low181 Ų181147.6 Ų147.679%0.79480%0.8SS**  -162.2137.159.7-87.9-94.5000111.9
369L39.5Very low38.9Very low156 Ų156148.2 Ų148.282%0.81780%0.804SS**  trans74.799.6143.1-66162.4000121.4
370N35.8Very low38.7Very low142 Ų142144.1 Ų144.176%0.75980%0.801SS**  trans-54.3147.5146.5-84.2-33.4000112.8
371P43.8Very low38.7Very low121 Ų121146.2 Ų146.279%0.78681%0.808SS**  trans-124.681.7142.634.1-19.9000110.6
372F35.4Very low39.2Very low199 Ų199145.2 Ų145.287%0.87381%0.808SS**  trans-106.393.7148.7-82-78.8000107
373Q37.8Very low39.4Very low174 Ų174150.8 Ų150.881%0.81382%0.818SS**  trans-117.9101.7157.7-70.9-163.5-16.800104.4
374S37Very low39.6Very low101 Ų101147.7 Ų147.771%0.70682%0.817SS**  60.884.991.869.60000113.1
375E37Very low40Very low182 Ų182149 Ų14985%0.8584%0.835SS**  trans-148.7104150.6-108.6145.2134.200111.2
376S38.1Very low40.3Very low120 Ų120151.2 Ų151.284%0.83983%0.833SS**  trans-56.8123.4163.7-49.90000110.4
377Y38.8Very low40.5Very low223 Ų223155.7 Ų155.788%0.87584%0.841SS**  trans-129.4106161.7-118.7-90.8000109.9
378S36Very low40.8Very low101 Ų101156.2 Ų156.271%0.70684%0.844SS**  trans-75.3143.7168.2-61.40000110.2N380S378-N380 PolarHBondContact O-N 3.06Å
379P52.4Low41.2Very low130 Ų130154.7 Ų154.784%0.84485%0.847SS**  trans-80.2109.7168.630.9-27.8000109
380N39.3Very low41.3Very low157 Ų157154.6 Ų154.684%0.8485%0.849SS**PPolyproline II helixtrans-82.5120.3172.6-151.1-27.1000108.9S378 T382S378-N380 PolarHBondContact O-N 3.06Å; N380-T382 PolarHBondContact O-N 3.38Å
381M43.8Very low41.6Very low184 Ų184155.5 Ų155.591%0.90686%0.855SS**PPolyproline II helixtrans-63.9116171.3-83.4154.5144.300109.5
382T50.6Low41.5Very low127 Ų127157.9 Ų157.978%0.77986%0.86SS**PPolyproline II helixtrans-96.2116.1165.2-174.90000109.7N380N380-T382 PolarHBondContact O-N 3.38Å
383M40.2Very low41.9Very low180 Ų180154.8 Ų154.889%0.88786%0.859SS**PPolyproline II helixtrans-66.2128.9162.4-80.6-81.3-167.600108.5
384S46.9Very low42.3Very low116 Ų116153.2 Ų153.281%0.81186%0.863SS**PPolyproline II helixtrans-90.9140.4163.2-68.70000109.9
385V47.3Very low42.8Very low217 Ų217157.9 Ų157.9100%1.31588%0.878SS**  trans-63.20-173.7-179.30000113.1

Retrieved 385 of 385 residues in 539.3 ms (Link to these results)