A0A077ZL41_TRITR Loading...

MoeA C and MoeA N and MoCF biosynth domain contai ning protein

Catalyzes two steps in the biosynthesis of the molybdenum cofactor. In the first step, molybdopterin is adenylated. Subsequently, molybdate is inserted into adenylated molybdopterin and AMP is released.

AlphaFold DB , UniProt , Accession A0A077ZL41, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 411 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
1M36.2Very low70.9Confident233 Ų23397.5 Ų97.5100%1.14853%0.534SS*.  016.10-76179.8-16900112.8
2E36.8Very low73.1Confident167 Ų16795.6 Ų95.678%0.7853%0.527SS*.  trans-95.3-8.9-173.7-76.2172.3140.800116.1T4 T5E2-T4 VanDerWaalsContact C-N 3.28Å; E2-T4 PolarHBondContact O-N 3.21Å; E2-T4 VanDerWaalsContact O-N 3.16Å; E2-T5 PolarHBondContact O-OG1 3Å
3F48Very low74.9Confident206 Ų20688.2 Ų88.290%0.90449%0.487SS*.THydrogen-bonded Turntrans-79.97-170.6-79.5-79.8000116.2
4T51.6Low76.4Confident51 Ų5182.9 Ų82.931%0.31346%0.457SS..THydrogen-bonded Turntrans-127.5-9.3-171.161.30000115.2E2 G6 L7E2-T4 VanDerWaalsContact C-N 3.28Å; E2-T4 PolarHBondContact O-N 3.21Å; E2-T4 VanDerWaalsContact O-N 3.16Å; T4-G6 PolarHBondContact O-N 3.03Å; T4-L7 PolarHBondContact O-N 3.07Å
5T54.5Low77.7Confident126 Ų12684.4 Ų84.477%0.77346%0.464SS*.THydrogen-bonded Turntrans-63.7117.6174.729.70000109.5E2E2-T5 PolarHBondContact O-OG1 3Å
6G80.3Confident78.9Confident78 Ų7883.7 Ų83.780%0.80446%0.457SS*.THydrogen-bonded Turntrans1001.8179.100000116.7T4T4-G6 PolarHBondContact O-N 3.03Å
7L89.2Confident80Confident30 Ų3078.8 Ų78.816%0.15743%0.43CS..PPolyproline II helixtrans-81.3130.5172.2-64.4173.9000111.6T4 K275 A277 K282 R345T4-L7 PolarHBondContact O-N 3.07Å; L7-K275 CarbonylContact C-O 3.56Å; L7-K275 WeakPolarHBondContact CA-O 3.34Å; L7-K275 HydrophobicContact CD2-CB 3.73Å; L7-K275 WeakPolarHBondContact CD2-O 3.47Å; L7-A277 HydrophobicContact CB-CB 3.87Å; L7-A277 HydrophobicContact CD1-CB 4.48Å; L7-K282 HydrophobicContact CD2-CD 4.24Å; L7-K282 HydrophobicContact CD2-CG 4.31Å; L7-R345 HydrophobicContact CD1-CG 4.36Å
8M95Very high80.9Confident48 Ų4876.4 Ų76.424%0.23642%0.417CS..BIsolated β-bridgetrans-77.1138.9175.8-177.3-177.1-89.100110.5T12 A13 E16 W274 K275 L276 A277M8-T12 HydrophobicContact CE-CG2 4.49Å; M8-T12 HydrophobicContact CG-CG2 4.04Å; M8-A13 HydrophobicContact CG-CB 4.3Å; M8-A13 HydrophobicContact SD-CB 3.69Å; M8-E16 WeakPolarHBondContact CE-OE2 3.44Å; M8-W274 HydrophobicContact CE-CG 4.41Å; M8-W274 HydrophobicContact SD-CB 4.45Å; M8-W274 HydrophobicContact SD-CD2 3.88Å; M8-W274 HydrophobicContact SD-CE3 4.24Å; M8-W274 HydrophobicContact SD-CG 3.96Å; M8-K275 PolarHBondContact N-O 2.89Å; M8-L276 HydrophobicContact CB-CD2 4.43Å; M8-L276 HydrophobicContact CG-CD2 4.5Å; M8-L276 CarbonylContact O-C 3.28Å; M8-L276 WeakPolarHBondContact O-CA 3.45Å; M8-L276 HydrophobicContact SD-CD2 4.41Å; M8-A277 WeakPolarHBondContact O-CB 3.32Å; M8-A277 PolarHBondContact O-N 3.37Å
9S96.6Very high81.8Confident27 Ų2777 Ų7719%0.18943%0.427CS..PPolyproline II helixtrans-73155.917685.10000111.6D11 T12 A13S9-D11 VanDerWaalsContact C-N 3.31Å; S9-D11 PolarHBondContact O-N 3.29Å; S9-T12 PolarHBondContact O-N 3.2Å; S9-T12 WeakPolarHBondContact OG-CB 3.39Å; S9-T12 PolarHBondContact OG-N 3.44Å; S9-T12 PolarHBondContact OG-OG1 2.99Å; S9-A13 PolarHBondContact O-N 2.85Å
10L96.5Very high82.5Confident12 Ų1278.4 Ų78.46%0.06343%0.425CS..Hα-helixtrans-59.7-44.3175.2-178.866.9000111.1T12 A13 L14 I278 Q310 L311 L346 F348L10-T12 PolarHBondContact O-N 2.83Å; L10-A13 PolarHBondContact O-N 2.77Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 2.91Å; L10-I278 HydrophobicContact CB-CG2 3.87Å; L10-I278 HydrophobicContact CD1-CG2 4.23Å; L10-I278 HydrophobicContact CG-CG2 4.44Å; L10-Q310 HydrophobicContact CD1-CB 4.4Å; L10-Q310 HydrophobicContact CD2-CB 4.4Å; L10-L311 HydrophobicContact CD1-CD1 4.36Å; L10-L311 HydrophobicContact CD1-CD2 3.55Å; L10-L311 HydrophobicContact CD1-CG 3.87Å; L10-L346 HydrophobicContact CB-CD2 4.47Å; L10-L346 HydrophobicContact CD2-CD2 4.16Å; L10-F348 HydrophobicContact CD2-CE2 3.9Å; L10-F348 HydrophobicContact CD2-CZ 3.54Å
11D95.5Very high83.2Confident95 Ų9574.8 Ų74.851%0.50841%0.406SS..Hα-helixtrans-63.8-41-179.1-58.2-43000111.7S9 N15S9-D11 VanDerWaalsContact C-N 3.31Å; S9-D11 PolarHBondContact O-N 3.29Å; D11-N15 VanDerWaalsContact O-CB 3.28Å; D11-N15 WeakPolarHBondContact O-CB 3.5Å; D11-N15 PolarHBondContact O-N 3Å; D11-N15 PolarHBondContact O-ND2 3.47Å
12T96.9Very high86.1Confident74 Ų7469 Ų6945%0.45438%0.384SS..Hα-helixtrans-60.4-49.7174.6-54.80000110.8M8 S9 L10 L14 N15 E16M8-T12 HydrophobicContact CE-CG2 4.49Å; M8-T12 HydrophobicContact CG-CG2 4.04Å; S9-T12 PolarHBondContact O-N 3.2Å; S9-T12 WeakPolarHBondContact OG-CB 3.39Å; S9-T12 PolarHBondContact OG-N 3.44Å; S9-T12 PolarHBondContact OG-OG1 2.99Å; L10-T12 PolarHBondContact O-N 2.83Å; T12-L14 PolarHBondContact O-N 3.2Å; T12-N15 PolarHBondContact O-N 3.18Å; T12-E16 WeakPolarHBondContact O-CB 3.49Å; T12-E16 PolarHBondContact O-N 2.8Å
13A96.7Very high89Confident0 Ų063.6 Ų63.60%036%0.363CS..Hα-helixtrans-60.7-47.118000000111.8M8 S9 L10 E16 M17 W274 L276 L311M8-A13 HydrophobicContact CG-CB 4.3Å; M8-A13 HydrophobicContact SD-CB 3.69Å; S9-A13 PolarHBondContact O-N 2.85Å; L10-A13 PolarHBondContact O-N 2.77Å; A13-E16 PolarHBondContact O-N 2.92Å; A13-M17 VanDerWaalsContact O-CG 3.28Å; A13-M17 WeakPolarHBondContact O-CG 3.17Å; A13-M17 PolarHBondContact O-N 2.75Å; A13-W274 HydrophobicContact CB-CE3 3.77Å; A13-W274 HydrophobicContact CB-CZ3 3.76Å; A13-L276 HydrophobicContact CB-CD2 3.41Å; A13-L276 VanDerWaalsContact CB-CD2 3.41Å; A13-L311 HydrophobicContact CB-CD2 4.42Å
14L96.3Very high91.4Very high13 Ų1354.9 Ų54.97%0.06833%0.326CS..Hα-helixtrans-63.6-45.9-179.6-171.8144.5000111.6L10 T12 E16 M17 L18 Q310 L311 P314 L327L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 2.91Å; T12-L14 PolarHBondContact O-N 3.2Å; L14-E16 VanDerWaalsContact C-N 3.33Å; L14-E16 PolarHBondContact O-N 3.45Å; L14-M17 PolarHBondContact O-N 2.88Å; L14-L18 HydrophobicContact CD2-CD1 3.46Å; L14-L18 VanDerWaalsContact CD2-CD1 3.46Å; L14-L18 HydrophobicContact CD2-CG 4.1Å; L14-L18 HydrophobicContact CG-CD1 4.22Å; L14-L18 HydrophobicContact CG-CG 4.44Å; L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 3.21Å; L14-Q310 WeakPolarHBondContact CD1-O 3.49Å; L14-L311 HydrophobicContact CB-CD2 4.04Å; L14-L311 HydrophobicContact CD1-CD2 4.47Å; L14-P314 HydrophobicContact CD1-CB 4.06Å; L14-P314 HydrophobicContact CD1-CG 3.96Å; L14-L327 HydrophobicContact CD1-CD2 3.71Å
15N96.1Very high93.6Very high106 Ų10658 Ų5857%0.56735%0.345SS*.Hα-helixtrans-62.2-41.4176.5-72.8-30.6000111.7D11 T12 S19D11-N15 VanDerWaalsContact O-CB 3.28Å; D11-N15 WeakPolarHBondContact O-CB 3.5Å; D11-N15 PolarHBondContact O-N 3Å; D11-N15 PolarHBondContact O-ND2 3.47Å; T12-N15 PolarHBondContact O-N 3.18Å; N15-S19 VanDerWaalsContact O-CB 3.24Å; N15-S19 WeakPolarHBondContact O-CB 3.38Å; N15-S19 PolarHBondContact O-N 3.45Å; N15-S19 PolarHBondContact O-OG 3.42Å
16E97Very high95.7Very high73 Ų7355.1 Ų55.134%0.34133%0.328SS..Hα-helixtrans-62.8-48.8176.4-169.3175.5150.700111.4M8 T12 A13 L14 L18 S19 W274M8-E16 WeakPolarHBondContact CE-OE2 3.44Å; T12-E16 WeakPolarHBondContact O-CB 3.49Å; T12-E16 PolarHBondContact O-N 2.8Å; A13-E16 PolarHBondContact O-N 2.92Å; L14-E16 VanDerWaalsContact C-N 3.33Å; L14-E16 PolarHBondContact O-N 3.45Å; E16-L18 PolarHBondContact O-N 3.26Å; E16-S19 PolarHBondContact O-N 2.91Å; E16-S19 PolarHBondContact O-OG 3.38Å; E16-W274 HydrophobicContact CB-CH2 4.46Å; E16-W274 HydrophobicContact CG-CZ2 4.28Å
17M97Very high96.5Very high1 Ų156.7 Ų56.71%0.00532%0.315CS..Hα-helixtrans-55.1-54.9174.8-69.3173.468.200111.4A13 L14 S19 R20 V21 W274 F284 F286 L311 L315A13-M17 VanDerWaalsContact O-CG 3.28Å; A13-M17 WeakPolarHBondContact O-CG 3.17Å; A13-M17 PolarHBondContact O-N 2.75Å; L14-M17 PolarHBondContact O-N 2.88Å; M17-S19 VanDerWaalsContact C-N 3.3Å; M17-S19 PolarHBondContact O-N 3.01Å; M17-R20 PolarHBondContact O-N 3.06Å; M17-V21 WeakPolarHBondContact O-CG2 3.26Å; M17-W274 HydrophobicContact CG-CH2 3.36Å; M17-W274 HydrophobicContact CG-CZ3 3.43Å; M17-W274 VanDerWaalsContact CG-CZ3 3.43Å; M17-W274 HydrophobicContact SD-CH2 4.32Å; M17-W274 HydrophobicContact SD-CZ3 3.77Å; M17-F284 HydrophobicContact CE-CE1 3.85Å; M17-F284 HydrophobicContact CE-CZ 3.93Å; M17-F284 HydrophobicContact SD-CE1 3.63Å; M17-F284 HydrophobicContact SD-CZ 4.3Å; M17-F286 HydrophobicContact CB-CE1 4.11Å; M17-F286 HydrophobicContact CB-CZ 4.07Å; M17-F286 HydrophobicContact CE-CD2 3.84Å; M17-F286 HydrophobicContact CE-CE2 3.92Å; M17-F286 HydrophobicContact CE-CG 4.42Å; M17-F286 HydrophobicContact CG-CD1 3.82Å; M17-F286 HydrophobicContact CG-CD2 4.21Å; M17-F286 HydrophobicContact CG-CE1 3.84Å; M17-F286 HydrophobicContact CG-CE2 4.23Å; M17-F286 HydrophobicContact CG-CG 4.01Å; M17-F286 HydrophobicContact CG-CZ 4.05Å; M17-L311 HydrophobicContact CE-CB 4.21Å; M17-L311 HydrophobicContact SD-CB 3.97Å; M17-L311 HydrophobicContact SD-CD1 4.44Å; M17-L311 HydrophobicContact SD-CD2 3.85Å; M17-L311 HydrophobicContact SD-CG 4.32Å; M17-L315 HydrophobicContact CE-CB 4.02Å; M17-L315 HydrophobicContact CE-CD2 3.9Å; M17-L315 HydrophobicContact CE-CG 4.43Å
18L96.7Very high97Very high36 Ų3658.8 Ų58.819%0.18832%0.324CS..Hα-helixtrans-65.7-35.4-174.4-65.7-172.4000110.9L14 E16 R20 V21 K318L14-L18 HydrophobicContact CD2-CD1 3.46Å; L14-L18 VanDerWaalsContact CD2-CD1 3.46Å; L14-L18 HydrophobicContact CD2-CG 4.1Å; L14-L18 HydrophobicContact CG-CD1 4.22Å; L14-L18 HydrophobicContact CG-CG 4.44Å; L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.28Å; L14-L18 PolarHBondContact O-N 3.21Å; E16-L18 PolarHBondContact O-N 3.26Å; L18-R20 VanDerWaalsContact C-N 3.25Å; L18-R20 PolarHBondContact O-N 3.15Å; L18-V21 PolarHBondContact O-N 3.25Å; L18-K318 HydrophobicContact CB-CD 4.01Å; L18-K318 HydrophobicContact CD2-CB 3.93Å; L18-K318 HydrophobicContact CD2-CD 3.99Å; L18-K318 HydrophobicContact CG-CD 4.48Å; L18-K318 WeakPolarHBondContact O-CE 3.33Å; L18-K318 PolarHBondContact O-NZ 3.05Å
19S96.9Very high97.2Very high87 Ų8760.2 Ų60.261%0.60834%0.335SS*.Hα-helixtrans-60.4-31.7179.773.40000113.9N15 E16 M17N15-S19 VanDerWaalsContact O-CB 3.24Å; N15-S19 WeakPolarHBondContact O-CB 3.38Å; N15-S19 PolarHBondContact O-N 3.45Å; N15-S19 PolarHBondContact O-OG 3.42Å; E16-S19 PolarHBondContact O-N 2.91Å; E16-S19 PolarHBondContact O-OG 3.38Å; M17-S19 VanDerWaalsContact C-N 3.3Å; M17-S19 PolarHBondContact O-N 3.01Å
20R96.9Very high97.3Very high104 Ų10460 Ų6039%0.39233%0.332SS..Hα-helixtrans-82.8-15.5-178.1-62.5-171.770.7176.42.3113.5M17 L18 E270 W293M17-R20 PolarHBondContact O-N 3.06Å; L18-R20 VanDerWaalsContact C-N 3.25Å; L18-R20 PolarHBondContact O-N 3.15Å; R20-E270 IonicContact NH2-OE2 3.69Å; R20-W293 HydrophobicContact CB-CH2 3.69Å; R20-W293 HydrophobicContact CB-CZ2 4.43Å; R20-W293 HydrophobicContact CB-CZ3 4.21Å; R20-W293 WeakPolarHBondContact O-CH2 3.35Å; R20-W293 VanDerWaalsContact O-CZ2 3.26Å; R20-W293 WeakPolarHBondContact O-CZ2 3.49Å
21V95.6Very high97.4Very high4 Ų461.7 Ų61.72%0.02434%0.344CS..PPolyproline II helixtrans-94.9126.2-168.3171.50000110.5M17 L18 W293 L315 K318 L319M17-V21 WeakPolarHBondContact O-CG2 3.26Å; L18-V21 PolarHBondContact O-N 3.25Å; V21-W293 HydrophobicContact CG2-CD2 4.32Å; V21-W293 HydrophobicContact CG2-CZ2 4.08Å; V21-L315 HydrophobicContact CB-CD1 4.22Å; V21-L315 HydrophobicContact CG1-CD1 4.13Å; V21-L315 HydrophobicContact CG2-CD1 3.3Å; V21-K318 HydrophobicContact CB-CD 4.4Å; V21-K318 HydrophobicContact CG1-CD 4.41Å; V21-K318 HydrophobicContact CG1-CG 4.34Å; V21-K318 WeakPolarHBondContact O-CE 3.47Å; V21-K318 PolarHBondContact O-NZ 2.94Å; V21-L319 HydrophobicContact CG1-CD2 3.49Å; V21-L319 VanDerWaalsContact CG1-CD2 3.49Å; V21-L319 HydrophobicContact CG1-CG 3.54Å
22T97.4Very high97.6Very high111 Ų11158.2 Ų58.268%0.68133%0.325SS*.PPolyproline II helixtrans-99.1129.8169.9-58.50000108.8
23P98Very high97.6Very high53 Ų5361 Ų6134%0.34434%0.341SS..PPolyproline II helixtrans-58.7152.6176.1-23.433.5000113.5K318P23-K318 WeakPolarHBondContact CB-O 3.37Å
24L98.3Very high97.7Very high24 Ų2466.4 Ų66.413%0.12637%0.367CS..PPolyproline II helixtrans-65143.9170.8-69175.4000110.7I175 V178 L319L24-I175 HydrophobicContact CB-CG2 3.77Å; L24-V178 HydrophobicContact CD1-CB 4.39Å; L24-V178 HydrophobicContact CD1-CG2 3.89Å; L24-L319 WeakPolarHBondContact CB-O 3.34Å; L24-L319 WeakPolarHBondContact CG-O 3.39Å; L24-L319 PolarHBondContact N-O 3.26Å
25T98.2Very high97.9Very high117 Ų11765.8 Ų65.872%0.71836%0.364SS*.  trans-117.6-21.1174.759.50000114.9Q27T25-Q27 PolarHBondContact O-N 3.13Å
26P98.2Very high98Very high65 Ų6566.8 Ų66.842%0.42236%0.363SS..  trans-58.5133.9173.5-25.435.2000111.5R176P26-R176 HydrophobicContact CB-CG 4.2Å; P26-R176 PolarHBondContact O-N 2.9Å
27Q98.6Very high98Very high111 Ų11164.2 Ų64.252%0.51936%0.356SS..EExtended strand (participates in β ladder)trans-126160.5-173.165.9179.2-10.800112.3T25 A41 V174T25-Q27 PolarHBondContact O-N 3.13Å; Q27-A41 HydrophobicContact CB-CB 3.71Å; Q27-V174 CarbonylContact C-O 3.4Å; Q27-V174 WeakPolarHBondContact CA-O 3.4Å; Q27-V174 WeakPolarHBondContact CB-O 3.29Å
28E98.7Very high98.1Very high73 Ų7365.3 Ų65.334%0.34136%0.36SS..EExtended strand (participates in β ladder)trans-136.9148.6172.158.8-175.913200109L30 R38 V174E28-L30 HydrophobicContact CG-CD1 4.19Å; E28-L30 HydrophobicContact CG-CG 4.14Å; E28-R38 IonicContact OE1-CZ 3.27Å; E28-R38 IonicContact OE1-NH1 2.8Å; E28-R38 PolarHBondContact OE1-NH1 2.85Å; E28-R38 IonicContact OE1-NH2 2.82Å; E28-R38 PolarHBondContact OE1-NH2 2.97Å; E28-V174 HydrophobicContact CG-CG2 3.98Å; E28-V174 PolarHBondContact N-O 3.47Å; E28-V174 WeakPolarHBondContact O-CG2 3.17Å; E28-V174 PolarHBondContact O-N 3.48Å
29T98.8Very high98.2Very high78 Ų7864 Ų6448%0.47935%0.353SS..EExtended strand (participates in β ladder)trans-99.1125.8175.1-60.90000108.9E171T29-E171 HydrophobicContact CG2-CB 3.88Å; T29-E171 HydrophobicContact CG2-CG 3.7Å
30L98.8Very high98.3Very high24 Ų2459.9 Ų59.913%0.12633%0.325CS..EExtended strand (participates in β ladder)trans-130.7149.5-177-65.1178.1000111.4E28 Q34 E171 V172 V174E28-L30 HydrophobicContact CG-CD1 4.19Å; E28-L30 HydrophobicContact CG-CG 4.14Å; L30-Q34 HydrophobicContact CB-CB 4.45Å; L30-E171 WeakPolarHBondContact O-CA 3.44Å; L30-E171 VanDerWaalsContact O-CB 3.26Å; L30-E171 WeakPolarHBondContact O-CB 3.45Å; L30-V172 PolarHBondContact N-O 3.24Å; L30-V172 PolarHBondContact O-N 3.44Å; L30-V174 HydrophobicContact CD1-CG2 4.03Å; L30-V174 HydrophobicContact CG-CG2 4.37Å
31P98.8Very high98.4Very high47 Ų4756.1 Ų56.131%0.30532%0.315SS..EExtended strand (participates in β ladder)trans-63.4145.4172.128.2-35000110.5V33 Q34 C35 A170P31-V33 PolarHBondContact O-N 3.19Å; P31-Q34 HydrophobicContact CG-CB 4.42Å; P31-Q34 HydrophobicContact CG-CG 4Å; P31-Q34 PolarHBondContact O-N 2.97Å; P31-C35 PolarHBondContact O-SG 3.29Å; P31-A170 WeakPolarHBondContact CA-O 3.4Å
32L98.8Very high98.5Very high21 Ų2158.4 Ų58.411%0.1133%0.332CS..G310 helixtrans-51.1-35.6-171.8-62.3-171.7000114.4Q34 C35 L161 I164 A165 I169 A170 V172L32-Q34 PolarHBondContact O-N 3.14Å; L32-C35 WeakPolarHBondContact O-CB 3.46Å; L32-C35 PolarHBondContact O-N 3.14Å; L32-L161 HydrophobicContact CB-CD2 4.27Å; L32-L161 HydrophobicContact CD2-CD2 4.27Å; L32-I164 HydrophobicContact CD1-CB 4.25Å; L32-I164 HydrophobicContact CD1-CG2 4.05Å; L32-I164 HydrophobicContact CD2-CB 4.39Å; L32-I164 HydrophobicContact CD2-CG2 3.75Å; L32-A165 HydrophobicContact CD1-CB 3.6Å; L32-I169 VanDerWaalsContact CD1-O 3.23Å; L32-I169 WeakPolarHBondContact CD1-O 3.34Å; L32-A170 WeakPolarHBondContact CG-O 3.44Å; L32-A170 PolarHBondContact N-O 2.87Å; L32-A170 VanDerWaalsContact N-O 3.08Å; L32-V172 HydrophobicContact CD2-CB 4.46Å; L32-V172 HydrophobicContact CD2-CG1 3.87Å; L32-V172 HydrophobicContact CD2-CG2 3.92Å
33V98.6Very high98.6Very high132 Ų13256.9 Ų56.980%0.832%0.319SS*.G310 helixtrans-63.4-21.1-179.871.30000113.6P31P31-V33 PolarHBondContact O-N 3.19Å
34Q98.8Very high98.6Very high115 Ų11554.7 Ų54.754%0.53731%0.305SS..G310 helixtrans-97.60.5177-61179.72400112.7L30 P31 L32L30-Q34 HydrophobicContact CB-CB 4.45Å; P31-Q34 HydrophobicContact CG-CB 4.42Å; P31-Q34 HydrophobicContact CG-CG 4Å; P31-Q34 PolarHBondContact O-N 2.97Å; L32-Q34 PolarHBondContact O-N 3.14Å
35C98.8Very high98.7Very high0 Ų057 Ų570%032%0.32CS..  trans-94.71.6-172-67.80000114.2P31 L32 G37 R38 L156 L161 V172P31-C35 PolarHBondContact O-SG 3.29Å; L32-C35 WeakPolarHBondContact O-CB 3.46Å; L32-C35 PolarHBondContact O-N 3.14Å; C35-G37 PolarHBondContact O-N 2.92Å; C35-R38 VanDerWaalsContact O-CB 3.3Å; C35-R38 WeakPolarHBondContact O-CB 3.25Å; C35-R38 WeakPolarHBondContact O-CG 3.31Å; C35-R38 PolarHBondContact O-N 2.93Å; C35-L156 HydrophobicContact CB-CD1 3.8Å; C35-L156 WeakPolarHBondContact O-CB 3.47Å; C35-L161 HydrophobicContact CB-CD2 3.72Å; C35-V172 HydrophobicContact CB-CG2 4.47Å
36F98.6Very high98.7Very high127 Ų12751.6 Ų51.656%0.55729%0.287SS*.THydrogen-bonded Turntrans-58.4126.1177.7-174.5-91.4000111.3R38 L161F36-R38 PolarHBondContact O-N 3.33Å; F36-L161 HydrophobicContact CB-CD1 4.43Å
37G97.8Very high98.7Very high19 Ų1952.5 Ų52.520%0.19629%0.293CS..THydrogen-bonded Turntrans74.3-2.1-177.700000115.3C35 L156C35-G37 PolarHBondContact O-N 2.92Å; G37-L156 WeakPolarHBondContact CA-O 3.14Å; G37-L156 PolarHBondContact N-O 3.25Å
38R98.8Very high98.7Very high23 Ų2350.3 Ų50.39%0.08728%0.284CS..PPolyproline II helixtrans-77.2157.2177.2-56.7-58.6-60.9-88.70111E28 C35 F36 R155 L156 V174 I175E28-R38 IonicContact OE1-CZ 3.27Å; E28-R38 IonicContact OE1-NH1 2.8Å; E28-R38 PolarHBondContact OE1-NH1 2.85Å; E28-R38 IonicContact OE1-NH2 2.82Å; E28-R38 PolarHBondContact OE1-NH2 2.97Å; C35-R38 VanDerWaalsContact O-CB 3.3Å; C35-R38 WeakPolarHBondContact O-CB 3.25Å; C35-R38 WeakPolarHBondContact O-CG 3.31Å; C35-R38 PolarHBondContact O-N 2.93Å; F36-R38 PolarHBondContact O-N 3.33Å; R38-R155 WeakPolarHBondContact O-CA 3.29Å; R38-L156 PolarHBondContact O-N 2.96Å; R38-V174 HydrophobicContact CB-CB 3.97Å; R38-V174 HydrophobicContact CB-CG1 3.84Å; R38-V174 HydrophobicContact CB-CG2 4.2Å; R38-V174 HydrophobicContact CG-CG2 4.46Å; R38-I175 PolarHBondContact NH2-O 3.04Å
39I98.7Very high98.7Very high10 Ų1048.2 Ų48.25%0.05128%0.275CS..BIsolated β-bridgetrans-102.3126.2-179-51.5-50.9000109.5A41 T154 R155 V174 I175 S320 N322I39-A41 PolarHBondContact O-N 3.5Å; I39-T154 WeakPolarHBondContact CA-O 3.42Å; I39-R155 HydrophobicContact CD1-CB 3.58Å; I39-R155 HydrophobicContact CD1-CG 3.79Å; I39-V174 CarbonylContact O-C 3.53Å; I39-V174 WeakPolarHBondContact O-CA 3.45Å; I39-V174 VanDerWaalsContact O-CB 3.3Å; I39-V174 WeakPolarHBondContact O-CB 3.45Å; I39-I175 HydrophobicContact CB-CD1 4.37Å; I39-I175 HydrophobicContact CG2-CD1 4Å; I39-I175 PolarHBondContact O-N 2.98Å; I39-S320 WeakPolarHBondContact CG1-O 3.44Å; I39-N322 HydrophobicContact CD1-CB 3.7Å; I39-N322 HydrophobicContact CG1-CB 4.22Å
40L98.8Very high98.6Very high0 Ų046 Ų460%026%0.262CS..BIsolated β-bridgetrans-58.5128.4175.3-89.6171.6000110.9V44 F150 G153 T154 L156 V172L40-V44 HydrophobicContact CD1-CG2 3.59Å; L40-V44 HydrophobicContact CD2-CG2 3.67Å; L40-V44 HydrophobicContact CG-CG2 4.32Å; L40-F150 HydrophobicContact CD1-CB 3.76Å; L40-G153 PolarHBondContact O-N 2.9Å; L40-T154 PolarHBondContact N-O 3.03Å; L40-L156 HydrophobicContact CD1-CD2 3.82Å; L40-L156 HydrophobicContact CD2-CD1 4.22Å; L40-L156 HydrophobicContact CG-CD1 4.03Å; L40-L156 HydrophobicContact CG-CD2 3.87Å; L40-L156 HydrophobicContact CG-CG 4.04Å; L40-V172 HydrophobicContact CD2-CB 3.96Å; L40-V172 HydrophobicContact CD2-CG1 4.41Å; L40-V172 HydrophobicContact CD2-CG2 4.16Å
41A98.8Very high98.5Very high24 Ų2445.8 Ų45.820%0.19826%0.262CS..SBendtrans-85.5-18.6176.600000113Q27 I39 P173 I175Q27-A41 HydrophobicContact CB-CB 3.71Å; I39-A41 PolarHBondContact O-N 3.5Å; A41-P173 HydrophobicContact CB-CB 4.31Å; A41-P173 PolarHBondContact N-O 3.27Å; A41-I175 HydrophobicContact CB-CG1 3.94Å
42S98.6Very high98.3Very high53 Ų5345.6 Ų45.637%0.37127%0.269SS..SBendtrans-147.9158.7179.6-63.40000110.1V44S42-V44 PolarHBondContact O-N 3.48Å
43D98.8Very high98.2Very high78 Ų7849.5 Ų49.542%0.41729%0.285SS..  trans-57.8135.6176.2-70.56.2000111V45 V148 F150 P151 A152D43-V45 HydrophobicContact CB-CG2 4.46Å; D43-V45 PolarHBondContact O-N 3.39Å; D43-V148 HydrophobicContact CB-CG1 3.9Å; D43-V148 HydrophobicContact CB-CG2 4.17Å; D43-V148 WeakPolarHBondContact OD2-CG2 3.44Å; D43-F150 WeakPolarHBondContact CA-O 3.42Å; D43-P151 VanDerWaalsContact OD1-CA 3.32Å; D43-P151 WeakPolarHBondContact OD1-CA 3.37Å; D43-A152 PolarHBondContact OD1-N 3.17Å
44V98.8Very high98.2Very high8 Ų845.6 Ų45.65%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-84.8108.7167.11780000107.8L40 S42 V149 F150 I164 L167 I169 V172L40-V44 HydrophobicContact CD1-CG2 3.59Å; L40-V44 HydrophobicContact CD2-CG2 3.67Å; L40-V44 HydrophobicContact CG-CG2 4.32Å; S42-V44 PolarHBondContact O-N 3.48Å; V44-V149 PolarHBondContact O-N 3.44Å; V44-F150 HydrophobicContact CB-CB 4.44Å; V44-F150 PolarHBondContact N-O 3.27Å; V44-I164 HydrophobicContact CG1-CG1 4.26Å; V44-I164 HydrophobicContact CG1-CG2 4.37Å; V44-I164 HydrophobicContact CG2-CD1 4.09Å; V44-I164 HydrophobicContact CG2-CG1 4.45Å; V44-L167 HydrophobicContact CG1-CD1 4.37Å; V44-I169 HydrophobicContact CG1-CD1 3.8Å; V44-V172 HydrophobicContact CG2-CG1 4.27Å
45V98.8Very high98.1Very high72 Ų7240.6 Ų40.644%0.43624%0.237SC..EExtended strand (participates in β ladder)trans-96.5131.8177.3-1790000109.4D43 P47 A147 V148D43-V45 HydrophobicContact CB-CG2 4.46Å; D43-V45 PolarHBondContact O-N 3.39Å; V45-P47 WeakPolarHBondContact O-CD 3.47Å; V45-A147 WeakPolarHBondContact CA-O 3.49Å; V45-V148 HydrophobicContact CG2-CG2 4.3Å
46S98.8Very high98.1Very high3 Ų340.6 Ų40.62%0.02124%0.237CC..  trans-69.5125.9-179.2-167.50000111.7L48 G146 A147 L167S46-L48 VanDerWaalsContact C-N 3.29Å; S46-L48 PolarHBondContact OG-N 3.29Å; S46-L48 PolarHBondContact OG-O 3.31Å; S46-G146 PolarHBondContact O-N 2.83Å; S46-A147 PolarHBondContact N-O 2.77Å; S46-L167 WeakPolarHBondContact OG-CD2 3.36Å
47P98.5Very high98.1Very high85 Ų8535.4 Ų35.455%0.55222%0.217SC*.SBendtrans-80.9-10.2173.434.4-34.3000112.9V45 L167V45-P47 WeakPolarHBondContact O-CD 3.47Å; P47-L167 HydrophobicContact CG-CB 4.34Å; P47-L167 VanDerWaalsContact CG-O 3.28Å; P47-L167 WeakPolarHBondContact CG-O 3.35Å
48L98.3Very high98.1Very high64 Ų6437.8 Ų37.834%0.33522%0.224SC..SBendtrans-144.4163.7-171.357.381.5000112S46 V50 A145 L167S46-L48 VanDerWaalsContact C-N 3.29Å; S46-L48 PolarHBondContact OG-N 3.29Å; S46-L48 PolarHBondContact OG-O 3.31Å; L48-V50 HydrophobicContact CD1-CG2 3.47Å; L48-V50 VanDerWaalsContact CD1-CG2 3.47Å; L48-A145 WeakPolarHBondContact O-CA 3.34Å; L48-A145 PolarHBondContact O-N 3.39Å; L48-L167 HydrophobicContact CD1-CD2 3.9Å; L48-L167 WeakPolarHBondContact CD2-O 3.14Å; L48-L167 HydrophobicContact CG-CD2 4.48Å
49D98.5Very high98.1Very high29 Ų2939.8 Ų39.816%0.15524%0.236CC..  trans-81.8140.2170-64.4-52.1000110.2P51 G52 R139 I143 S144 A145D49-P51 CarbonylContact C-O 3.51Å; D49-P51 CarbonylContact O-C 3.52Å; D49-P51 VanDerWaalsContact O-C 3.26Å; D49-G52 VanDerWaalsContact O-CA 3.23Å; D49-G52 WeakPolarHBondContact O-CA 3.41Å; D49-G52 PolarHBondContact O-N 2.64Å; D49-R139 HydrophobicContact CB-CG 3.75Å; D49-R139 IonicContact OD2-CZ 2.72Å; D49-R139 IonicContact OD2-NE 3.69Å; D49-R139 PolarHBondContact OD2-NE 2.88Å; D49-R139 IonicContact OD2-NH2 3.34Å; D49-R139 PolarHBondContact OD2-NH2 2.94Å; D49-I143 CarbonylContact C-O 3.51Å; D49-I143 WeakPolarHBondContact CA-O 3.47Å; D49-S144 WeakPolarHBondContact OD1-CA 3.29Å; D49-A145 PolarHBondContact OD1-N 3.31Å
50V97.9Very high98Very high33 Ų3339.3 Ų39.320%0.223%0.234CC..BIsolated β-bridgetrans-121.8118.7170.7-172.30000108.3L48 G140 D142 I143 L167L48-V50 HydrophobicContact CD1-CG2 3.47Å; L48-V50 VanDerWaalsContact CD1-CG2 3.47Å; V50-G140 CarbonylContact O-C 3.46Å; V50-G140 WeakPolarHBondContact O-CA 3.16Å; V50-D142 WeakPolarHBondContact O-CB 3.44Å; V50-D142 PolarHBondContact O-N 3.49Å; V50-I143 HydrophobicContact CB-CB 3.95Å; V50-I143 HydrophobicContact CB-CD1 4.43Å; V50-I143 HydrophobicContact CB-CG1 4.35Å; V50-I143 HydrophobicContact CG2-CB 4.13Å; V50-I143 HydrophobicContact CG2-CD1 4.28Å; V50-I143 PolarHBondContact N-O 2.94Å; V50-I143 PolarHBondContact O-N 3.45Å; V50-L167 HydrophobicContact CG2-CD2 3.57Å
51P96.4Very high98Very high18 Ų1839.7 Ų39.712%0.11724%0.235CC..SBendcis-65156.8-1029.9-35.3000112.1D49 F53 N55 R137 R138 R139 G140D49-P51 CarbonylContact C-O 3.51Å; D49-P51 CarbonylContact O-C 3.52Å; D49-P51 VanDerWaalsContact O-C 3.26Å; P51-F53 VanDerWaalsContact C-N 3.25Å; P51-F53 PolarHBondContact O-N 2.73Å; P51-N55 VanDerWaalsContact CB-ND2 3.29Å; P51-N55 WeakPolarHBondContact CB-ND2 3.36Å; P51-N55 VanDerWaalsContact CG-ND2 3.34Å; P51-N55 WeakPolarHBondContact CG-ND2 3.41Å; P51-R137 HydrophobicContact CG-CB 4.49Å; P51-R138 WeakPolarHBondContact CD-O 3.43Å; P51-R138 WeakPolarHBondContact CG-O 3.47Å; P51-R139 CarbonylContact O-C 3.53Å; P51-R139 VanDerWaalsContact O-CA 3.27Å; P51-R139 WeakPolarHBondContact O-CA 3.38Å; P51-G140 PolarHBondContact O-N 3.4Å
52G94.2Very high98Very high44 Ų4438.6 Ų38.645%0.45423%0.226SC..SBendtrans-75.4-9.2-17800000115.3D49 R139D49-G52 VanDerWaalsContact O-CA 3.23Å; D49-G52 WeakPolarHBondContact O-CA 3.41Å; D49-G52 PolarHBondContact O-N 2.64Å; G52-R139 WeakPolarHBondContact O-CD 3.45Å
53F96.4Very high98Very high103 Ų10336 Ų3645%0.45221%0.208SC..SBendtrans-157.1158.7-179.748-98.8000109.9P51 N55 P103P51-F53 VanDerWaalsContact C-N 3.25Å; P51-F53 PolarHBondContact O-N 2.73Å; F53-N55 HydrophobicContact CD2-CB 3.92Å; F53-N55 HydrophobicContact CE2-CB 3.78Å; F53-N55 PolarHBondContact O-N 2.91Å; F53-N55 PolarHBondContact O-ND2 3.36Å; F53-P103 HydrophobicContact CD2-CB 3.8Å; F53-P103 HydrophobicContact CD2-CG 3.78Å; F53-P103 HydrophobicContact CE2-CB 3.98Å; F53-P103 HydrophobicContact CE2-CG 3.48Å; F53-P103 VanDerWaalsContact CE2-CG 3.48Å; F53-P103 HydrophobicContact CG-CG 4.48Å; F53-P103 HydrophobicContact CZ-CG 3.95Å
54D98.2Very high98Very high49 Ų4934.8 Ų34.826%0.26220%0.198SC..  trans-62.4125.1172-7519.2000109.8P103 V104 I136 R137 R138 R139D54-P103 WeakPolarHBondContact O-CA 3.26Å; D54-V104 HydrophobicContact CB-CG2 3.64Å; D54-V104 PolarHBondContact O-N 3.2Å; D54-I136 HydrophobicContact CB-CG2 4.05Å; D54-R137 CarbonylContact C-O 3.6Å; D54-R137 VanDerWaalsContact CA-O 3.3Å; D54-R137 WeakPolarHBondContact CA-O 3.49Å; D54-R138 WeakPolarHBondContact OD1-CA 3.46Å; D54-R138 WeakPolarHBondContact OD2-CD 3.26Å; D54-R138 IonicContact OD2-CZ 3.85Å; D54-R138 IonicContact OD2-NE 2.72Å; D54-R138 IonicContact OD2-NH1 3.3Å; D54-R138 PolarHBondContact OD2-NH1 2.99Å; D54-R139 PolarHBondContact OD1-N 3.28Å
55N98.4Very high98Very high11 Ų1136.7 Ų36.76%0.05921%0.207CC..EExtended strand (participates in β ladder)trans-138.6160.5-174.269.993.5000112.7P51 F53 A102 R137P51-N55 VanDerWaalsContact CB-ND2 3.29Å; P51-N55 WeakPolarHBondContact CB-ND2 3.36Å; P51-N55 VanDerWaalsContact CG-ND2 3.34Å; P51-N55 WeakPolarHBondContact CG-ND2 3.41Å; F53-N55 HydrophobicContact CD2-CB 3.92Å; F53-N55 HydrophobicContact CE2-CB 3.78Å; F53-N55 PolarHBondContact O-N 2.91Å; F53-N55 PolarHBondContact O-ND2 3.36Å; N55-A102 CarbonylContact C-O 3.34Å; N55-A102 VanDerWaalsContact CA-O 3.26Å; N55-A102 WeakPolarHBondContact CA-O 3.45Å; N55-A102 WeakPolarHBondContact CB-O 3.37Å; N55-R137 PolarHBondContact N-O 3.16Å; N55-R137 PolarHBondContact O-N 3.05Å
56S98.5Very high97.9Very high0 Ų036.9 Ų36.90%022%0.217CC..EExtended strand (participates in β ladder)trans-73.5130.4-179.1-170.90000112.3M58 M99 G101 A102 V111S56-M58 VanDerWaalsContact C-N 3.32Å; S56-M58 PolarHBondContact OG-N 3.4Å; S56-M58 PolarHBondContact OG-O 2.73Å; S56-M99 WeakPolarHBondContact CB-O 3.37Å; S56-G101 PolarHBondContact O-N 3.06Å; S56-A102 PolarHBondContact N-O 2.93Å; S56-V111 WeakPolarHBondContact OG-CG1 3.27Å
57A98Very high97.8Very high17 Ų1737.6 Ų37.614%0.1422%0.22CC..SBendtrans-77.1-18.3172.700000113.4N135 R137A57-N135 HydrophobicContact CB-CB 4.12Å; A57-N135 WeakPolarHBondContact CB-O 3.31Å; A57-N135 PolarHBondContact N-O 3.48Å; A57-R137 HydrophobicContact CB-CG 4.02Å
58M97.4Very high97.7Very high70 Ų7035.2 Ų35.235%0.34520%0.202SC..SBendtrans-141.2159.8-170.6-59.6-63.7-70.900112.1S56 T100 M113 N135S56-M58 VanDerWaalsContact C-N 3.32Å; S56-M58 PolarHBondContact OG-N 3.4Å; S56-M58 PolarHBondContact OG-O 2.73Å; M58-T100 WeakPolarHBondContact CA-OG1 3.29Å; M58-M113 HydrophobicContact CB-CB 4.29Å; M58-M113 HydrophobicContact CE-CB 4.35Å; M58-M113 HydrophobicContact CE-CE 4.31Å; M58-N135 HydrophobicContact CG-CB 4.23Å
59D98.2Very high97.5Very high65 Ų6536.2 Ų36.235%0.34822%0.22SC..SBendtrans-77.9126.7165.9-66.4-7.3000109.5M99 T100 Q114D59-M99 HydrophobicContact CB-SD 4.13Å; D59-M99 WeakPolarHBondContact OD1-CA 3.06Å; D59-T100 PolarHBondContact N-OG1 2.83Å; D59-T100 VanDerWaalsContact N-OG1 3.09Å; D59-T100 WeakPolarHBondContact OD1-CB 3.13Å; D59-T100 PolarHBondContact OD1-N 2.82Å; D59-T100 PolarHBondContact OD1-OG1 3.12Å; D59-Q114 PolarHBondContact O-N 2.9Å; D59-Q114 VanDerWaalsContact O-N 3.16Å
60G98.2Very high97.2Very high0 Ų038 Ų380%023%0.234CC..EExtended strand (participates in β ladder)trans172.6-140.7-169.600000114R97 I98 V112G60-R97 VanDerWaalsContact O-CD 3.32Å; G60-R97 WeakPolarHBondContact O-CD 3.33Å; G60-I98 PolarHBondContact N-O 3.47Å; G60-I98 PolarHBondContact O-N 3.42Å; G60-I98 VanDerWaalsContact O-O 3.08Å; G60-V112 CarbonylContact C-O 3.44Å; G60-V112 WeakPolarHBondContact CA-O 3.22Å
61Y98.7Very high96.9Very high8 Ų839.1 Ų39.13%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-133.6127-176.6-53.4-88.7000111.2V76 I96 R97 V111 V112 Q114 T117 Q119 V124 F126Y61-V76 HydrophobicContact CD1-CG2 4.24Å; Y61-V76 HydrophobicContact CE1-CG2 3.88Å; Y61-I96 CarbonylContact C-O 3.57Å; Y61-I96 VanDerWaalsContact CA-O 3.26Å; Y61-I96 WeakPolarHBondContact CA-O 3.39Å; Y61-R97 HydrophobicContact CD1-CB 4.29Å; Y61-R97 HydrophobicContact CE1-CB 4.27Å; Y61-V111 WeakPolarHBondContact O-CA 3.34Å; Y61-V112 PolarHBondContact N-O 2.87Å; Y61-V112 PolarHBondContact O-N 3.33Å; Y61-Q114 HydrophobicContact CE2-CB 4.27Å; Y61-T117 HydrophobicContact CD2-CG2 3.78Å; Y61-T117 HydrophobicContact CE2-CG2 3.94Å; Y61-T117 WeakPolarHBondContact CE2-OG1 3.31Å; Y61-Q119 PolarHBondContact OH-NE2 2.58Å; Y61-V124 HydrophobicContact CD1-CG2 4.18Å; Y61-V124 HydrophobicContact CD2-CG1 4.01Å; Y61-V124 HydrophobicContact CE1-CG1 4.41Å; Y61-V124 HydrophobicContact CE1-CG2 3.64Å; Y61-V124 HydrophobicContact CE2-CG1 3.79Å; Y61-V124 HydrophobicContact CE2-CG2 4.38Å; Y61-V124 HydrophobicContact CG-CG1 4.38Å; Y61-F126 HydrophobicContact CD2-CE1 4.42Å; Y61-F126 HydrophobicContact CG-CE1 4.46Å
62A98.7Very high96.8Very high0 Ų045 Ų450%028%0.279CS..EExtended strand (participates in β ladder)trans-75.5131.4168.600000109.4W90 I96 I98 P105 V111A62-W90 HydrophobicContact CB-CH2 4.45Å; A62-I96 HydrophobicContact CB-CB 4.32Å; A62-I96 PolarHBondContact N-O 2.92Å; A62-I96 PolarHBondContact O-N 3.17Å; A62-I96 VanDerWaalsContact O-N 3.14Å; A62-I98 HydrophobicContact CB-CB 4.44Å; A62-I98 HydrophobicContact CB-CD1 4.35Å; A62-I98 HydrophobicContact CB-CG2 4.22Å; A62-P105 HydrophobicContact CB-CG 3.86Å; A62-V111 HydrophobicContact CB-CG2 4.47Å
63V98.6Very high96.9Very high0 Ų044.2 Ų44.20%027%0.266CS..EExtended strand (participates in β ladder)trans-138.8160-173.3-62.20000111.9I68 L74 C95 E109 A110 V112 F126 V130V63-I68 HydrophobicContact CB-CD1 4.16Å; V63-I68 HydrophobicContact CB-CG1 4.08Å; V63-I68 HydrophobicContact CG1-CD1 4.08Å; V63-I68 HydrophobicContact CG2-CD1 4.14Å; V63-I68 HydrophobicContact CG2-CG1 3.9Å; V63-L74 HydrophobicContact CG1-CD1 4.39Å; V63-C95 HydrophobicContact CG1-CB 3.97Å; V63-E109 PolarHBondContact O-N 3Å; V63-A110 HydrophobicContact CG2-CB 4.06Å; V63-A110 WeakPolarHBondContact CG2-O 3.33Å; V63-A110 PolarHBondContact N-O 3.4Å; V63-A110 PolarHBondContact O-N 3.24Å; V63-V112 HydrophobicContact CG2-CG2 4.12Å; V63-F126 HydrophobicContact CG1-CD1 4.5Å; V63-F126 HydrophobicContact CG1-CE1 3.59Å; V63-F126 HydrophobicContact CG1-CE2 4.2Å; V63-F126 HydrophobicContact CG1-CZ 3.41Å; V63-F126 VanDerWaalsContact CG1-CZ 3.41Å; V63-V130 HydrophobicContact CG2-CG1 4.2Å
64R98.4Very high97Very high51 Ų5139.4 Ų39.419%0.19225%0.245CC..  trans-101142.3162.9-52.4-179.3-173105.4-8.3108.6A66 D67 I68 W90 P91 E109R64-A66 VanDerWaalsContact C-N 3.26Å; R64-A66 PolarHBondContact O-N 3.25Å; R64-D67 HydrophobicContact CB-CB 4.43Å; R64-D67 IonicContact NH1-OD2 3.45Å; R64-D67 PolarHBondContact NH1-OD2 3.48Å; R64-D67 PolarHBondContact O-N 3.3Å; R64-D67 VanDerWaalsContact O-N 3.13Å; R64-I68 PolarHBondContact O-N 2.86Å; R64-W90 HydrophobicContact CG-CH2 4.04Å; R64-W90 HydrophobicContact CG-CZ2 4.07Å; R64-W90 VanDerWaalsContact CZ-CD2 3.44Å; R64-W90 PolarHBondContact NH2-O 2.96Å; R64-P91 PolarHBondContact NH1-O 2.91Å; R64-P91 VanDerWaalsContact NH1-O 3.08Å; R64-E109 WeakPolarHBondContact CA-OE2 3.33Å
65L98.1Very high97Very high49 Ų4940 Ų4026%0.25725%0.251SS..Hα-helixtrans-64.1-34.2-180-63.7176.8000111.6D67 I68 A69 E109 A110 V130L65-D67 VanDerWaalsContact C-N 3.27Å; L65-D67 PolarHBondContact O-N 3.47Å; L65-I68 PolarHBondContact O-N 2.88Å; L65-A69 PolarHBondContact O-N 2.94Å; L65-E109 HydrophobicContact CD1-CB 4.36Å; L65-E109 HydrophobicContact CG-CB 3.94Å; L65-E109 PolarHBondContact N-OE2 2.81Å; L65-A110 HydrophobicContact CD2-CB 4.43Å; L65-V130 HydrophobicContact CD2-CB 4.35Å; L65-V130 HydrophobicContact CD2-CG1 3.95Å
66A97.2Very high97Very high76 Ų7642.3 Ų42.363%0.62827%0.266SS*.Hα-helixtrans-60-37.8174.500000112.4R64R64-A66 VanDerWaalsContact C-N 3.26Å; R64-A66 PolarHBondContact O-N 3.25Å
67D97.3Very high97Very high17 Ų1745 Ų459%0.09128%0.282CS..Hα-helixtrans-73.9-37.5179.7-63.9-34.5000110.8R64 L65 S70 L74 G93R64-D67 HydrophobicContact CB-CB 4.43Å; R64-D67 IonicContact NH1-OD2 3.45Å; R64-D67 PolarHBondContact NH1-OD2 3.48Å; R64-D67 PolarHBondContact O-N 3.3Å; R64-D67 VanDerWaalsContact O-N 3.13Å; L65-D67 VanDerWaalsContact C-N 3.27Å; L65-D67 PolarHBondContact O-N 3.47Å; D67-S70 WeakPolarHBondContact O-CB 3.46Å; D67-S70 PolarHBondContact O-N 3.11Å; D67-S70 PolarHBondContact O-OG 2.87Å; D67-L74 HydrophobicContact CB-CD1 3.84Å; D67-L74 HydrophobicContact CB-CD2 4.16Å; D67-G93 VanDerWaalsContact CG-N 3.31Å; D67-G93 WeakPolarHBondContact OD1-CA 3.49Å; D67-G93 PolarHBondContact OD1-N 3.25Å
68I96.4Very high96.9Very high35 Ų3544.9 Ų44.918%0.17928%0.283CS..Hα-helixtrans-62.3-42.1173.3-66.3-64.7000111.8V63 R64 L65 S70 G71 L74 F126 V130V63-I68 HydrophobicContact CB-CD1 4.16Å; V63-I68 HydrophobicContact CB-CG1 4.08Å; V63-I68 HydrophobicContact CG1-CD1 4.08Å; V63-I68 HydrophobicContact CG2-CD1 4.14Å; V63-I68 HydrophobicContact CG2-CG1 3.9Å; R64-I68 PolarHBondContact O-N 2.86Å; L65-I68 PolarHBondContact O-N 2.88Å; I68-S70 PolarHBondContact O-N 3.38Å; I68-S70 VanDerWaalsContact O-N 3.09Å; I68-G71 PolarHBondContact O-N 3.34Å; I68-L74 HydrophobicContact CD1-CD1 4.33Å; I68-F126 HydrophobicContact CD1-CB 3.88Å; I68-F126 HydrophobicContact CD1-CD1 3.81Å; I68-F126 HydrophobicContact CD1-CD2 3.4Å; I68-F126 HydrophobicContact CD1-CE1 4.22Å; I68-F126 HydrophobicContact CD1-CE2 3.88Å; I68-F126 HydrophobicContact CD1-CG 3.38Å; I68-F126 HydrophobicContact CD1-CZ 4.26Å; I68-V130 HydrophobicContact CD1-CG2 4.14Å; I68-V130 HydrophobicContact CG1-CB 4.44Å; I68-V130 HydrophobicContact CG1-CG2 4.17Å; I68-V130 HydrophobicContact CG2-CB 4.25Å; I68-V130 HydrophobicContact CG2-CG2 3.97Å
69A94.2Very high96.9Very high85 Ų8547.6 Ų47.670%0.70229%0.293SS*.Hα-helixtrans-61.6-19.9-178.100000113.6L65 G71L65-A69 PolarHBondContact O-N 2.94Å; A69-G71 PolarHBondContact O-N 2.92Å
70S92.1Very high96.9Very high66 Ų6644.6 Ų44.646%0.46228%0.277SS..THydrogen-bonded Turntrans-65.9-24.1174.976.10000113.4D67 I68 Q72D67-S70 WeakPolarHBondContact O-CB 3.46Å; D67-S70 PolarHBondContact O-N 3.11Å; D67-S70 PolarHBondContact O-OG 2.87Å; I68-S70 PolarHBondContact O-N 3.38Å; I68-S70 VanDerWaalsContact O-N 3.09Å; S70-Q72 PolarHBondContact O-N 3.48Å; S70-Q72 VanDerWaalsContact O-N 3.14Å; S70-Q72 PolarHBondContact OG-N 3.29Å
71G91.5Very high96.8Very high58 Ų5848.1 Ų48.160%0.59829%0.292SS*.  trans67.50.7-174.700000115.1I68 A69I68-G71 PolarHBondContact O-N 3.34Å; A69-G71 PolarHBondContact O-N 2.92Å
72Q94.2Very high96.4Very high140 Ų14051.1 Ų51.165%0.65432%0.319SS*.SBendtrans-84.4148.9178.1-60.7-159.77.900111.2S70 L74S70-Q72 PolarHBondContact O-N 3.48Å; S70-Q72 VanDerWaalsContact O-N 3.14Å; S70-Q72 PolarHBondContact OG-N 3.29Å; Q72-L74 PolarHBondContact O-N 3.41Å
73P97.2Very high96.1Very high28 Ų2854.9 Ų54.918%0.18236%0.357CS..PPolyproline II helixtrans-58133.3169.1-21.632.9000110.9T120 V124 R125P73-T120 WeakPolarHBondContact CB-OG1 3.47Å; P73-T120 HydrophobicContact CG-CG2 4.34Å; P73-V124 CarbonylContact C-O 3.59Å; P73-V124 VanDerWaalsContact CA-O 3.31Å; P73-V124 WeakPolarHBondContact CA-O 3.44Å; P73-R125 HydrophobicContact CG-CB 4.48Å
74L98.3Very high96Very high2 Ų261.5 Ų61.51%0.0139%0.388CS..BIsolated β-bridgetrans-97.1121.8-178.8-53.5-176.3000109.9V63 D67 I68 Q72 C95 G123 V124 F126V63-L74 HydrophobicContact CG1-CD1 4.39Å; D67-L74 HydrophobicContact CB-CD1 3.84Å; D67-L74 HydrophobicContact CB-CD2 4.16Å; I68-L74 HydrophobicContact CD1-CD1 4.33Å; Q72-L74 PolarHBondContact O-N 3.41Å; L74-C95 HydrophobicContact CB-CB 4.05Å; L74-C95 HydrophobicContact CD1-CB 4.24Å; L74-G123 WeakPolarHBondContact O-CA 3.18Å; L74-V124 PolarHBondContact N-O 2.97Å; L74-V124 PolarHBondContact O-N 3.03Å; L74-F126 HydrophobicContact CB-CE2 4Å; L74-F126 HydrophobicContact CD1-CD2 4.27Å; L74-F126 HydrophobicContact CD1-CE2 3.57Å; L74-F126 HydrophobicContact CD1-CZ 4.24Å; L74-F126 HydrophobicContact CG-CD2 4.37Å; L74-F126 HydrophobicContact CG-CE2 3.75Å
75P98.1Very high95.9Very high61 Ų6161.5 Ų61.540%0.39640%0.395SS..PPolyproline II helixtrans-60.1144.1171.8-22.432.7000111.7V77 G93 T94 C95P75-V77 PolarHBondContact O-N 3.26Å; P75-G93 WeakPolarHBondContact CD-O 3.45Å; P75-T94 WeakPolarHBondContact O-CA 3.3Å; P75-T94 WeakPolarHBondContact O-CB 3.47Å; P75-C95 PolarHBondContact O-N 3.5Å
76V97.9Very high95.8Very high60 Ų6061.1 Ų61.136%0.36439%0.39SS..EExtended strand (participates in β ladder)trans-83.9108.1174.9-177.30000108.9Y61 G78 C95 R97 V124Y61-V76 HydrophobicContact CD1-CG2 4.24Å; Y61-V76 HydrophobicContact CE1-CG2 3.88Å; V76-G78 VanDerWaalsContact CG1-O 3.31Å; V76-G78 WeakPolarHBondContact CG1-O 3.37Å; V76-C95 WeakPolarHBondContact CA-O 3.47Å; V76-R97 HydrophobicContact CG1-CB 3.89Å; V76-V124 HydrophobicContact CG2-CG2 3.62Å
77V97.4Very high95.7Very high56 Ų5665.4 Ų65.434%0.33940%0.397SS..EExtended strand (participates in β ladder)trans-82.6-22.7-177.5710000113.1P75 P91 C95 I96P75-V77 PolarHBondContact O-N 3.26Å; V77-P91 HydrophobicContact CG2-CG 4.27Å; V77-C95 PolarHBondContact N-O 2.95Å; V77-I96 HydrophobicContact CG1-CD1 4.47Å; V77-I96 HydrophobicContact CG1-CG1 3.76Å
78G97Very high95.6Very high16 Ų1666.6 Ų66.617%0.16541%0.413CS..EExtended strand (participates in β ladder)trans-171.1-173.6-176.100000113.4V76 R97V76-G78 VanDerWaalsContact CG1-O 3.31Å; V76-G78 WeakPolarHBondContact CG1-O 3.37Å; G78-R97 PolarHBondContact O-N 2.88Å
79K97.8Very high95.5Very high127 Ų12773.1 Ų73.155%0.55244%0.443SS*.EExtended strand (participates in β ladder)trans-133.3140.4179.6-47.6-170.2178.8172.50110.5F81 R97K79-F81 HydrophobicContact CB-CD2 4.32Å; K79-F81 HydrophobicContact CB-CE2 3.64Å; K79-F81 HydrophobicContact CB-CZ 3.91Å; K79-F81 HydrophobicContact CD-CE2 4.07Å; K79-F81 HydrophobicContact CD-CZ 3.75Å; K79-F81 HydrophobicContact CG-CE2 4.47Å; K79-F81 HydrophobicContact CG-CZ 4.46Å; K79-R97 CarbonylContact C-O 3.49Å; K79-R97 WeakPolarHBondContact CA-O 3.39Å; K79-R97 HydrophobicContact CB-CB 4.44Å; K79-R97 HydrophobicContact CG-CB 4.07Å; K79-R97 HydrophobicContact CG-CG 4.48Å
80S98Very high95.7Very high1 Ų170.5 Ų70.51%0.00742%0.415CS..EExtended strand (participates in β ladder)trans-116.8125.4169.7-170.10000109.3Y86 R97 M99 A102 P103S80-Y86 PolarHBondContact OG-N 3.49Å; S80-R97 PolarHBondContact N-O 3.12Å; S80-M99 PolarHBondContact O-N 3.49Å; S80-A102 WeakPolarHBondContact O-CB 3.32Å; S80-P103 PolarHBondContact OG-O 2.83Å
81F96.2Very high96Very high74 Ų7470 Ų7033%0.32541%0.411SS..BIsolated β-bridgetrans-120.4161.5179.8-62.1-74.2000111.2K79 G83 Q84 M99K79-F81 HydrophobicContact CB-CD2 4.32Å; K79-F81 HydrophobicContact CB-CE2 3.64Å; K79-F81 HydrophobicContact CB-CZ 3.91Å; K79-F81 HydrophobicContact CD-CE2 4.07Å; K79-F81 HydrophobicContact CD-CZ 3.75Å; K79-F81 HydrophobicContact CG-CE2 4.47Å; K79-F81 HydrophobicContact CG-CZ 4.46Å; F81-G83 PolarHBondContact O-N 3.07Å; F81-Q84 HydrophobicContact CB-CB 4.34Å; F81-Q84 PolarHBondContact N-O 2.91Å; F81-Q84 CarbonylContact O-C 3.5Å; F81-Q84 VanDerWaalsContact O-C 3.28Å; F81-Q84 PolarHBondContact O-N 2.92Å; F81-M99 HydrophobicContact CD1-CB 4.3Å; F81-M99 HydrophobicContact CD1-CG 3.55Å; F81-M99 HydrophobicContact CE1-CE 3.87Å; F81-M99 HydrophobicContact CE1-CG 3.68Å
82A90Very high96.2Very high72 Ų7271.5 Ų71.560%0.59542%0.417SS*.THydrogen-bonded Turntrans-58.1126.2170.500000110.1Q84A82-Q84 PolarHBondContact O-N 3.26Å
83G92.2Very high96.4Very high78 Ų7866.2 Ų66.280%0.80440%0.4SS*.THydrogen-bonded Turntrans74.9-3.8-175.900000115.7F81F81-G83 PolarHBondContact O-N 3.07Å
84Q95.9Very high96.4Very high139 Ų13965.7 Ų65.765%0.6540%0.397SS*.BIsolated β-bridgetrans-138.778.8177.7-64.9-178.31.200109.9F81 A82F81-Q84 HydrophobicContact CB-CB 4.34Å; F81-Q84 PolarHBondContact N-O 2.91Å; F81-Q84 CarbonylContact O-C 3.5Å; F81-Q84 VanDerWaalsContact O-C 3.28Å; F81-Q84 PolarHBondContact O-N 2.92Å; A82-Q84 PolarHBondContact O-N 3.26Å
85P96.6Very high96.4Very high51 Ų5165.6 Ų65.633%0.33140%0.396SS..  trans-65.8152.6-179.1-7.221000111.5H87 P103P85-H87 PolarHBondContact O-CD2 3.26Å; P85-H87 VanDerWaalsContact O-CD2 3.32Å; P85-H87 PolarHBondContact O-N 3.43Å; P85-P103 HydrophobicContact CB-CB 4.32Å; P85-P103 HydrophobicContact CB-CG 4.09Å; P85-P103 HydrophobicContact CG-CG 4.03Å
86Y97.3Very high96.5Very high42 Ų4262.7 Ų62.717%0.16538%0.377CS..  trans-73.9123170.2-177.6-101.4000111.1S80 G88 E89 W90 I96 P105S80-Y86 PolarHBondContact OG-N 3.49Å; Y86-G88 WeakPolarHBondContact CE1-O 3.41Å; Y86-E89 PolarHBondContact OH-O 3.01Å; Y86-W90 HydrophobicContact CE1-CB 4.3Å; Y86-I96 HydrophobicContact CD1-CD1 3.31Å; Y86-I96 HydrophobicContact CD1-CG1 4.18Å; Y86-I96 HydrophobicContact CE1-CD1 3.54Å; Y86-I96 HydrophobicContact CE1-CG1 4.24Å; Y86-I96 HydrophobicContact CG-CD1 3.98Å; Y86-I96 HydrophobicContact CG-CG1 4.5Å; Y86-I96 HydrophobicContact CG-CG2 4.37Å; Y86-P105 HydrophobicContact CD1-CB 4.46Å
87H95.1Very high96.5Very high165 Ų16561.3 Ų61.376%0.76437%0.365SS*.  trans-120.22179.9-66.8-63.7000114.2P85P85-H87 PolarHBondContact O-CD2 3.26Å; P85-H87 VanDerWaalsContact O-CD2 3.32Å; P85-H87 PolarHBondContact O-N 3.43Å
88G93.9Very high96.6Very high42 Ų4258.7 Ų58.743%0.43335%0.349SS..SBendtrans-73.4172.9177.500000112.5Y86Y86-G88 WeakPolarHBondContact CE1-O 3.41Å
89E95.3Very high96.6Very high173 Ų17360.4 Ų60.481%0.80835%0.354SS*.  trans-60.5140.5169.1-68.3-174.7168.300110.2Y86 P91Y86-E89 PolarHBondContact OH-O 3.01Å; E89-P91 WeakPolarHBondContact O-CD 3.33Å
90W98Very high96.6Very high29 Ų2957.3 Ų57.311%0.1135%0.345CS..  trans-113.989.7175.2-174.59.3000109.6A62 R64 Y86 T94 I96 P105 E106 C108A62-W90 HydrophobicContact CB-CH2 4.45Å; R64-W90 HydrophobicContact CG-CH2 4.04Å; R64-W90 HydrophobicContact CG-CZ2 4.07Å; R64-W90 VanDerWaalsContact CZ-CD2 3.44Å; R64-W90 PolarHBondContact NH2-O 2.96Å; Y86-W90 HydrophobicContact CE1-CB 4.3Å; W90-T94 VanDerWaalsContact CD1-OG1 3.27Å; W90-T94 PolarHBondContact NE1-O 3.42Å; W90-I96 HydrophobicContact CB-CD1 4.15Å; W90-I96 HydrophobicContact CD2-CD1 3.48Å; W90-I96 VanDerWaalsContact CD2-CD1 3.48Å; W90-I96 HydrophobicContact CD2-CG1 4.36Å; W90-I96 HydrophobicContact CE3-CD1 3.93Å; W90-I96 HydrophobicContact CG-CD1 3.58Å; W90-I96 HydrophobicContact CG-CG1 4.33Å; W90-I96 HydrophobicContact CZ2-CD1 4.39Å; W90-P105 HydrophobicContact CE3-CB 3.81Å; W90-P105 HydrophobicContact CE3-CG 3.85Å; W90-P105 HydrophobicContact CH2-CG 3.87Å; W90-P105 HydrophobicContact CZ3-CB 3.84Å; W90-P105 HydrophobicContact CZ3-CG 3.47Å; W90-P105 VanDerWaalsContact CZ3-CG 3.47Å; W90-E106 VanDerWaalsContact CE3-O 3.28Å; W90-E106 WeakPolarHBondContact CZ3-O 3.23Å; W90-C108 HydrophobicContact CH2-CB 3.88Å; W90-C108 HydrophobicContact CZ3-CB 3.91Å
91P97.5Very high96.5Very high57 Ų5758.6 Ų58.637%0.3736%0.359SS..  trans-60.2153.8-178.3-22.534.1000112.7R64 V77 E89 T94R64-P91 PolarHBondContact NH1-O 2.91Å; R64-P91 VanDerWaalsContact NH1-O 3.08Å; V77-P91 HydrophobicContact CG2-CG 4.27Å; E89-P91 WeakPolarHBondContact O-CD 3.33Å; P91-T94 HydrophobicContact CB-CG2 4.1Å; P91-T94 PolarHBondContact O-OG1 3.37Å
92A97.3Very high96.6Very high89 Ų8955 Ų5574%0.73634%0.343SS*.THydrogen-bonded Turntrans-62.6147.8170.600000110.8T94A92-T94 VanDerWaalsContact C-N 3.32Å; A92-T94 PolarHBondContact O-N 3.13Å
93G97.2Very high97Very high29 Ų2952.6 Ų52.630%0.29932%0.322SS..THydrogen-bonded Turntrans70.523-177.800000114.5D67 P75D67-G93 VanDerWaalsContact CG-N 3.31Å; D67-G93 WeakPolarHBondContact OD1-CA 3.49Å; D67-G93 PolarHBondContact OD1-N 3.25Å; P75-G93 WeakPolarHBondContact CD-O 3.45Å
94T98.4Very high97.3Very high17 Ų1750.1 Ų50.110%0.10429%0.29CS..  trans-130.4157.1177.9680000111.5P75 W90 P91 A92P75-T94 WeakPolarHBondContact O-CA 3.3Å; P75-T94 WeakPolarHBondContact O-CB 3.47Å; W90-T94 VanDerWaalsContact CD1-OG1 3.27Å; W90-T94 PolarHBondContact NE1-O 3.42Å; P91-T94 HydrophobicContact CB-CG2 4.1Å; P91-T94 PolarHBondContact O-OG1 3.37Å; A92-T94 VanDerWaalsContact C-N 3.32Å; A92-T94 PolarHBondContact O-N 3.13Å
95C98.4Very high97.4Very high0 Ų043.9 Ų43.90%026%0.262CS..EExtended strand (participates in β ladder)trans-117.9162.5174.870.30000111.5V63 L74 P75 V76 V77 F126V63-C95 HydrophobicContact CG1-CB 3.97Å; L74-C95 HydrophobicContact CB-CB 4.05Å; L74-C95 HydrophobicContact CD1-CB 4.24Å; P75-C95 PolarHBondContact O-N 3.5Å; V76-C95 WeakPolarHBondContact CA-O 3.47Å; V77-C95 PolarHBondContact N-O 2.95Å; C95-F126 HydrophobicContact CB-CZ 4.09Å
96I98.6Very high97.4Very high0 Ų050.5 Ų50.50%029%0.289CS..EExtended strand (participates in β ladder)trans-115.2126.7175.8-70.8162.8000108Y61 A62 V77 Y86 W90 I98 P105Y61-I96 CarbonylContact C-O 3.57Å; Y61-I96 VanDerWaalsContact CA-O 3.26Å; Y61-I96 WeakPolarHBondContact CA-O 3.39Å; A62-I96 HydrophobicContact CB-CB 4.32Å; A62-I96 PolarHBondContact N-O 2.92Å; A62-I96 PolarHBondContact O-N 3.17Å; A62-I96 VanDerWaalsContact O-N 3.14Å; V77-I96 HydrophobicContact CG1-CD1 4.47Å; V77-I96 HydrophobicContact CG1-CG1 3.76Å; Y86-I96 HydrophobicContact CD1-CD1 3.31Å; Y86-I96 HydrophobicContact CD1-CG1 4.18Å; Y86-I96 HydrophobicContact CE1-CD1 3.54Å; Y86-I96 HydrophobicContact CE1-CG1 4.24Å; Y86-I96 HydrophobicContact CG-CD1 3.98Å; Y86-I96 HydrophobicContact CG-CG1 4.5Å; Y86-I96 HydrophobicContact CG-CG2 4.37Å; W90-I96 HydrophobicContact CB-CD1 4.15Å; W90-I96 HydrophobicContact CD2-CD1 3.48Å; W90-I96 VanDerWaalsContact CD2-CD1 3.48Å; W90-I96 HydrophobicContact CD2-CG1 4.36Å; W90-I96 HydrophobicContact CE3-CD1 3.93Å; W90-I96 HydrophobicContact CG-CD1 3.58Å; W90-I96 HydrophobicContact CG-CG1 4.33Å; W90-I96 HydrophobicContact CZ2-CD1 4.39Å; I96-I98 PolarHBondContact O-N 3.3Å; I96-P105 HydrophobicContact CB-CG 4.42Å; I96-P105 HydrophobicContact CD1-CB 3.69Å; I96-P105 HydrophobicContact CD1-CG 3.54Å
97R98.4Very high97.3Very high31 Ų3150.8 Ų50.812%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-65.2127.6170.7176.570.4-165.8-171.7-4.4108.1G60 Y61 V76 G78 K79 S80 Q114G60-R97 VanDerWaalsContact O-CD 3.32Å; G60-R97 WeakPolarHBondContact O-CD 3.33Å; Y61-R97 HydrophobicContact CD1-CB 4.29Å; Y61-R97 HydrophobicContact CE1-CB 4.27Å; V76-R97 HydrophobicContact CG1-CB 3.89Å; G78-R97 PolarHBondContact O-N 2.88Å; K79-R97 CarbonylContact C-O 3.49Å; K79-R97 WeakPolarHBondContact CA-O 3.39Å; K79-R97 HydrophobicContact CB-CB 4.44Å; K79-R97 HydrophobicContact CG-CB 4.07Å; K79-R97 HydrophobicContact CG-CG 4.48Å; S80-R97 PolarHBondContact N-O 3.12Å; R97-Q114 VanDerWaalsContact NH1-OE1 3.09Å
98I98.7Very high97.5Very high0 Ų043.6 Ų43.60%027%0.273CS..EExtended strand (participates in β ladder)trans-131.3142.4-177.9-166.5161.6000109.8G60 A62 I96 A102 P103 V104 V111G60-I98 PolarHBondContact N-O 3.47Å; G60-I98 PolarHBondContact O-N 3.42Å; G60-I98 VanDerWaalsContact O-O 3.08Å; A62-I98 HydrophobicContact CB-CB 4.44Å; A62-I98 HydrophobicContact CB-CD1 4.35Å; A62-I98 HydrophobicContact CB-CG2 4.22Å; I96-I98 PolarHBondContact O-N 3.3Å; I98-A102 HydrophobicContact CD1-CB 4.35Å; I98-A102 HydrophobicContact CG1-CB 3.8Å; I98-P103 WeakPolarHBondContact CD1-O 3.46Å; I98-V104 HydrophobicContact CD1-CB 4.45Å; I98-V104 HydrophobicContact CD1-CG1 4.05Å; I98-V111 HydrophobicContact CG2-CG1 3.74Å; I98-V111 HydrophobicContact CG2-CG2 4.12Å
99M97.9Very high97.7Very high52 Ų5245.1 Ų45.126%0.25627%0.268SS..  trans-106.1159.7174-56.6-56-169.400110.5S56 D59 S80 F81 G101 A102S56-M99 WeakPolarHBondContact CB-O 3.37Å; D59-M99 HydrophobicContact CB-SD 4.13Å; D59-M99 WeakPolarHBondContact OD1-CA 3.06Å; S80-M99 PolarHBondContact O-N 3.49Å; F81-M99 HydrophobicContact CD1-CB 4.3Å; F81-M99 HydrophobicContact CD1-CG 3.55Å; F81-M99 HydrophobicContact CE1-CE 3.87Å; F81-M99 HydrophobicContact CE1-CG 3.68Å; M99-G101 PolarHBondContact O-N 3.03Å; M99-A102 WeakPolarHBondContact O-CB 3.36Å; M99-A102 PolarHBondContact O-N 3.22Å
100T97.5Very high97.9Very high62 Ų6236.9 Ų36.938%0.3823%0.23SC..THydrogen-bonded Turntrans-55.6133.4179.2-55.10000110.8M58 D59 A102M58-T100 WeakPolarHBondContact CA-OG1 3.29Å; D59-T100 PolarHBondContact N-OG1 2.83Å; D59-T100 VanDerWaalsContact N-OG1 3.09Å; D59-T100 WeakPolarHBondContact OD1-CB 3.13Å; D59-T100 PolarHBondContact OD1-N 2.82Å; D59-T100 PolarHBondContact OD1-OG1 3.12Å; T100-A102 PolarHBondContact O-N 2.99Å
101G97.1Very high97.9Very high28 Ų2835.5 Ų35.529%0.28923%0.225SC..THydrogen-bonded Turntrans77.3-6.9-176.800000115S56 M99S56-G101 PolarHBondContact O-N 3.06Å; M99-G101 PolarHBondContact O-N 3.03Å
102A98.1Very high97.9Very high0 Ų032.8 Ų32.80%021%0.207CC..PPolyproline II helixtrans-71.2141.9174.100000110.7N55 S56 S80 I98 M99 T100 V104N55-A102 CarbonylContact C-O 3.34Å; N55-A102 VanDerWaalsContact CA-O 3.26Å; N55-A102 WeakPolarHBondContact CA-O 3.45Å; N55-A102 WeakPolarHBondContact CB-O 3.37Å; S56-A102 PolarHBondContact N-O 2.93Å; S80-A102 WeakPolarHBondContact O-CB 3.32Å; I98-A102 HydrophobicContact CD1-CB 4.35Å; I98-A102 HydrophobicContact CG1-CB 3.8Å; M99-A102 WeakPolarHBondContact O-CB 3.36Å; M99-A102 PolarHBondContact O-N 3.22Å; T100-A102 PolarHBondContact O-N 2.99Å; A102-V104 PolarHBondContact O-N 2.8Å
103P98.3Very high98Very high21 Ų2130.7 Ų30.714%0.13618%0.183CC..BIsolated β-bridgetrans-58.4136.7172.8-19.329.3000111.1F53 D54 S80 P85 I98F53-P103 HydrophobicContact CD2-CB 3.8Å; F53-P103 HydrophobicContact CD2-CG 3.78Å; F53-P103 HydrophobicContact CE2-CB 3.98Å; F53-P103 HydrophobicContact CE2-CG 3.48Å; F53-P103 VanDerWaalsContact CE2-CG 3.48Å; F53-P103 HydrophobicContact CG-CG 4.48Å; F53-P103 HydrophobicContact CZ-CG 3.95Å; D54-P103 WeakPolarHBondContact O-CA 3.26Å; S80-P103 PolarHBondContact OG-O 2.83Å; P85-P103 HydrophobicContact CB-CB 4.32Å; P85-P103 HydrophobicContact CB-CG 4.09Å; P85-P103 HydrophobicContact CG-CG 4.03Å; I98-P103 WeakPolarHBondContact CD1-O 3.46Å
104V98.4Very high98Very high25 Ų2532.8 Ų32.815%0.15219%0.185CC..PPolyproline II helixtrans-72139.7172.9-59.80000109.8D54 I98 A102 C108 V111 I136D54-V104 HydrophobicContact CB-CG2 3.64Å; D54-V104 PolarHBondContact O-N 3.2Å; I98-V104 HydrophobicContact CD1-CB 4.45Å; I98-V104 HydrophobicContact CD1-CG1 4.05Å; A102-V104 PolarHBondContact O-N 2.8Å; V104-C108 HydrophobicContact CB-CB 3.88Å; V104-C108 HydrophobicContact CG2-CB 4.21Å; V104-V111 HydrophobicContact CG1-CG2 4.25Å; V104-I136 HydrophobicContact CG1-CD1 4.47Å; V104-I136 HydrophobicContact CG1-CG1 4.23Å; V104-I136 HydrophobicContact CG1-CG2 4.17Å; V104-I136 HydrophobicContact CG2-CG2 4.41Å
105P97.9Very high97.9Very high9 Ų937.9 Ų37.96%0.05821%0.208CC..PPolyproline II helixtrans-65.3154.2176.326.1-32.5000111.1A62 Y86 W90 I96 G107 C108A62-P105 HydrophobicContact CB-CG 3.86Å; Y86-P105 HydrophobicContact CD1-CB 4.46Å; W90-P105 HydrophobicContact CE3-CB 3.81Å; W90-P105 HydrophobicContact CE3-CG 3.85Å; W90-P105 HydrophobicContact CH2-CG 3.87Å; W90-P105 HydrophobicContact CZ3-CB 3.84Å; W90-P105 HydrophobicContact CZ3-CG 3.47Å; W90-P105 VanDerWaalsContact CZ3-CG 3.47Å; I96-P105 HydrophobicContact CB-CG 4.42Å; I96-P105 HydrophobicContact CD1-CB 3.69Å; I96-P105 HydrophobicContact CD1-CG 3.54Å; P105-G107 PolarHBondContact O-N 2.95Å; P105-C108 HydrophobicContact CG-CB 4.17Å; P105-C108 WeakPolarHBondContact O-CB 3.46Å; P105-C108 PolarHBondContact O-N 2.9Å
106E96.1Very high97.9Very high189 Ų18940.7 Ų40.788%0.88322%0.22SC*.THydrogen-bonded Turntrans-57.1134178.8-172.3176.4-178.600111.5W90 C108W90-E106 VanDerWaalsContact CE3-O 3.28Å; W90-E106 WeakPolarHBondContact CZ3-O 3.23Å; E106-C108 VanDerWaalsContact C-N 3.31Å
107G96Very high97.9Very high49 Ų4941.6 Ų41.651%0.50523%0.226SC..THydrogen-bonded Turntrans79.26.8-175.800000114.9P105P105-G107 PolarHBondContact O-N 2.95Å
108C98.2Very high97.8Very high13 Ų1345.4 Ų45.49%0.08825%0.245CC..  trans-66.8130.8172.9-179.30000111W90 V104 P105 E106 A110W90-C108 HydrophobicContact CH2-CB 3.88Å; W90-C108 HydrophobicContact CZ3-CB 3.91Å; V104-C108 HydrophobicContact CB-CB 3.88Å; V104-C108 HydrophobicContact CG2-CB 4.21Å; P105-C108 HydrophobicContact CG-CB 4.17Å; P105-C108 WeakPolarHBondContact O-CB 3.46Å; P105-C108 PolarHBondContact O-N 2.9Å; E106-C108 VanDerWaalsContact C-N 3.31Å; C108-A110 PolarHBondContact SG-O 3.25Å; C108-A110 VanDerWaalsContact SG-O 3.37Å
109E98.4Very high97.6Very high74 Ų7452.6 Ų52.635%0.34628%0.279SS..  trans-110.4-24.3-178-63.6179.7110.900112.6V63 R64 L65 G133V63-E109 PolarHBondContact O-N 3Å; R64-E109 WeakPolarHBondContact CA-OE2 3.33Å; L65-E109 HydrophobicContact CD1-CB 4.36Å; L65-E109 HydrophobicContact CG-CB 3.94Å; L65-E109 PolarHBondContact N-OE2 2.81Å; E109-G133 WeakPolarHBondContact O-CA 3.3Å; E109-G133 PolarHBondContact O-N 2.99Å
110A98.7Very high97.4Very high0 Ų051.9 Ų51.90%028%0.277CS..EExtended strand (participates in β ladder)trans-156.4159.2175.900000111.7V63 L65 C108 V130 R131 Q134V63-A110 HydrophobicContact CG2-CB 4.06Å; V63-A110 WeakPolarHBondContact CG2-O 3.33Å; V63-A110 PolarHBondContact N-O 3.4Å; V63-A110 PolarHBondContact O-N 3.24Å; L65-A110 HydrophobicContact CD2-CB 4.43Å; C108-A110 PolarHBondContact SG-O 3.25Å; C108-A110 VanDerWaalsContact SG-O 3.37Å; A110-V130 HydrophobicContact CB-CG1 3.43Å; A110-V130 VanDerWaalsContact CB-CG1 3.43Å; A110-R131 WeakPolarHBondContact CB-O 3.37Å; A110-Q134 HydrophobicContact CB-CB 4.32Å
111V98.8Very high97.2Very high0 Ų057 Ų570%030%0.303CS..EExtended strand (participates in β ladder)trans-115.7129.3164.8176.50000109.9S56 Y61 A62 I98 V104 Q134 N135 I136S56-V111 WeakPolarHBondContact OG-CG1 3.27Å; Y61-V111 WeakPolarHBondContact O-CA 3.34Å; A62-V111 HydrophobicContact CB-CG2 4.47Å; I98-V111 HydrophobicContact CG2-CG1 3.74Å; I98-V111 HydrophobicContact CG2-CG2 4.12Å; V104-V111 HydrophobicContact CG1-CG2 4.25Å; V111-Q134 PolarHBondContact N-O 3.45Å; V111-N135 HydrophobicContact CB-CB 3.94Å; V111-N135 HydrophobicContact CG1-CB 4.43Å; V111-N135 WeakPolarHBondContact O-CB 3.39Å; V111-N135 PolarHBondContact O-ND2 2.84Å; V111-I136 HydrophobicContact CG2-CG1 4.19Å
112V98.5Very high96.9Very high1 Ų161.8 Ų61.81%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-104.4125.2174.8-172.10000109.4G60 Y61 V63 Q116 T117 F126 V130G60-V112 CarbonylContact C-O 3.44Å; G60-V112 WeakPolarHBondContact CA-O 3.22Å; Y61-V112 PolarHBondContact N-O 2.87Å; Y61-V112 PolarHBondContact O-N 3.33Å; V63-V112 HydrophobicContact CG2-CG2 4.12Å; V112-Q116 HydrophobicContact CG1-CB 3.81Å; V112-T117 HydrophobicContact CG1-CG2 4.03Å; V112-F126 HydrophobicContact CB-CD1 3.75Å; V112-F126 HydrophobicContact CB-CE1 3.9Å; V112-F126 HydrophobicContact CG1-CD1 3.9Å; V112-F126 HydrophobicContact CG1-CE1 4.46Å; V112-F126 HydrophobicContact CG2-CD1 3.73Å; V112-F126 HydrophobicContact CG2-CE1 4.02Å; V112-V130 HydrophobicContact CG2-CB 4.33Å; V112-V130 HydrophobicContact CG2-CG1 3.8Å; V112-V130 HydrophobicContact CG2-CG2 3.52Å
113M98.3Very high96.8Very high45 Ų4562.4 Ų62.422%0.22233%0.328CS..EExtended strand (participates in β ladder)trans-62.3143.917770.1-176.669.600110.3M58 E115 Q116M58-M113 HydrophobicContact CB-CB 4.29Å; M58-M113 HydrophobicContact CE-CB 4.35Å; M58-M113 HydrophobicContact CE-CE 4.31Å; M113-E115 WeakPolarHBondContact CB-OE2 3.31Å; M113-E115 HydrophobicContact CG-CB 4.28Å; M113-E115 PolarHBondContact O-N 2.77Å; M113-E115 VanDerWaalsContact O-N 3.12Å; M113-E115 HydrophobicContact SD-CB 4.38Å; M113-Q116 HydrophobicContact CG-CB 4.04Å; M113-Q116 HydrophobicContact CG-CG 3.67Å; M113-Q116 PolarHBondContact O-N 2.71Å; M113-Q116 HydrophobicContact SD-CG 4.04Å
114Q97.3Very high96.8Very high72 Ų7261.5 Ų61.534%0.33632%0.322SS..G310 helixtrans-59.8-27.1-175.265.9-176.71100113.7D59 Y61 R97 Q116 T117D59-Q114 PolarHBondContact O-N 2.9Å; D59-Q114 VanDerWaalsContact O-N 3.16Å; Y61-Q114 HydrophobicContact CE2-CB 4.27Å; R97-Q114 VanDerWaalsContact NH1-OE1 3.09Å; Q114-Q116 PolarHBondContact O-N 3.08Å; Q114-T117 PolarHBondContact O-N 3.02Å; Q114-T117 VanDerWaalsContact O-N 3.08Å; Q114-T117 PolarHBondContact O-OG1 2.79Å
115E97.4Very high96.7Very high125 Ų12565.5 Ų65.558%0.58434%0.335SS*.G310 helixtrans-65.4-19.8177.1-62.971.3-15600112.2M113M113-E115 WeakPolarHBondContact CB-OE2 3.31Å; M113-E115 HydrophobicContact CG-CB 4.28Å; M113-E115 PolarHBondContact O-N 2.77Å; M113-E115 VanDerWaalsContact O-N 3.12Å; M113-E115 HydrophobicContact SD-CB 4.38Å
116Q97.6Very high96.7Very high58 Ų5866.6 Ų66.627%0.27134%0.338SS..G310 helixtrans-101.525.5175.4-65.4-178.7-29.200111.9V112 M113 Q114 T127 A128V112-Q116 HydrophobicContact CG1-CB 3.81Å; M113-Q116 HydrophobicContact CG-CB 4.04Å; M113-Q116 HydrophobicContact CG-CG 3.67Å; M113-Q116 PolarHBondContact O-N 2.71Å; M113-Q116 HydrophobicContact SD-CG 4.04Å; Q114-Q116 PolarHBondContact O-N 3.08Å; Q116-T127 VanDerWaalsContact C-OG1 3.29Å; Q116-T127 PolarHBondContact O-N 3.44Å; Q116-T127 VanDerWaalsContact O-N 3.08Å; Q116-T127 PolarHBondContact O-OG1 3.3Å; Q116-T127 VanDerWaalsContact O-OG1 3.07Å; Q116-A128 HydrophobicContact CB-CB 4.32Å; Q116-A128 HydrophobicContact CG-CB 4.42Å
117T97.6Very high96.7Very high20 Ų2061.3 Ų61.312%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-136.9154.6178.670.20000112.2Y61 V112 Q114 V124 R125 F126Y61-T117 HydrophobicContact CD2-CG2 3.78Å; Y61-T117 HydrophobicContact CE2-CG2 3.94Å; Y61-T117 WeakPolarHBondContact CE2-OG1 3.31Å; V112-T117 HydrophobicContact CG1-CG2 4.03Å; Q114-T117 PolarHBondContact O-N 3.02Å; Q114-T117 VanDerWaalsContact O-N 3.08Å; Q114-T117 PolarHBondContact O-OG1 2.79Å; T117-V124 HydrophobicContact CG2-CG1 3.85Å; T117-R125 CarbonylContact C-O 3.54Å; T117-R125 WeakPolarHBondContact CA-O 3.27Å; T117-R125 WeakPolarHBondContact CB-O 3.39Å; T117-F126 HydrophobicContact CG2-CD1 3.7Å; T117-F126 HydrophobicContact CG2-CE1 3.88Å; T117-F126 HydrophobicContact CG2-CG 4.5Å
118E97Very high96.6Very high110 Ų11060.9 Ų60.951%0.51431%0.311SS..EExtended strand (participates in β ladder)trans-120.6129.6171.7-71.9174.3179.800109.2R125 T127E118-R125 HydrophobicContact CB-CB 4.33Å; E118-R125 PolarHBondContact N-O 3.03Å; E118-R125 PolarHBondContact O-N 3.37Å; E118-T127 HydrophobicContact CB-CG2 4.46Å; E118-T127 HydrophobicContact CG-CG2 3.83Å
119Q94.2Very high96.5Very high151 Ų15167.6 Ų67.671%0.70634%0.341SS*.EExtended strand (participates in β ladder)trans-74.7133.9170.6-70.2-123.9-9.700109.9Y61Y61-Q119 PolarHBondContact OH-NE2 2.58Å
120T94.8Very high96.5Very high37 Ų3764.9 Ų64.923%0.22733%0.329CS..EExtended strand (participates in β ladder)trans-129.7164.7177.5750000109.7P73 N122 G123 R125P73-T120 WeakPolarHBondContact CB-OG1 3.47Å; P73-T120 HydrophobicContact CG-CG2 4.34Å; T120-N122 PolarHBondContact O-N 2.85Å; T120-N122 VanDerWaalsContact O-N 3.11Å; T120-N122 PolarHBondContact OG1-N 2.9Å; T120-G123 CarbonylContact C-O 3.52Å; T120-G123 WeakPolarHBondContact CA-O 3.24Å; T120-G123 WeakPolarHBondContact CB-O 3.47Å; T120-G123 PolarHBondContact N-O 3.2Å; T120-G123 PolarHBondContact O-N 2.86Å; T120-G123 VanDerWaalsContact O-N 3.1Å; T120-G123 VanDerWaalsContact O-O 3.11Å; T120-G123 PolarHBondContact OG1-N 2.86Å; T120-G123 PolarHBondContact OG1-O 2.76Å; T120-R125 HydrophobicContact CG2-CB 3.99Å
121D92Very high96.4Very high171 Ų17173.1 Ų73.191%0.91436%0.361SS*.THydrogen-bonded Turntrans-58.8-25.9178.3-59.5-29.5000113.3
122N90.7Very high96.4Very high127 Ų12777.5 Ų77.568%0.67939%0.391SS*.THydrogen-bonded Turntrans-100.11.3-178.1-64.2-28.7000113.7T120T120-N122 PolarHBondContact O-N 2.85Å; T120-N122 VanDerWaalsContact O-N 3.11Å; T120-N122 PolarHBondContact OG1-N 2.9Å
123G96.3Very high96.4Very high14 Ų1478.5 Ų78.514%0.14440%0.401CS..EExtended strand (participates in β ladder)trans132.3-156.1-176.100000113.5L74 T120L74-G123 WeakPolarHBondContact O-CA 3.18Å; T120-G123 CarbonylContact C-O 3.52Å; T120-G123 WeakPolarHBondContact CA-O 3.24Å; T120-G123 WeakPolarHBondContact CB-O 3.47Å; T120-G123 PolarHBondContact N-O 3.2Å; T120-G123 PolarHBondContact O-N 2.86Å; T120-G123 VanDerWaalsContact O-N 3.1Å; T120-G123 VanDerWaalsContact O-O 3.11Å; T120-G123 PolarHBondContact OG1-N 2.86Å; T120-G123 PolarHBondContact OG1-O 2.76Å
124V98.1Very high96.4Very high1 Ų178.3 Ų78.31%0.00640%0.4CS..EExtended strand (participates in β ladder)trans-100.5122.9-173.2-178.20000110.3Y61 P73 L74 V76 T117 F126Y61-V124 HydrophobicContact CD1-CG2 4.18Å; Y61-V124 HydrophobicContact CD2-CG1 4.01Å; Y61-V124 HydrophobicContact CE1-CG1 4.41Å; Y61-V124 HydrophobicContact CE1-CG2 3.64Å; Y61-V124 HydrophobicContact CE2-CG1 3.79Å; Y61-V124 HydrophobicContact CE2-CG2 4.38Å; Y61-V124 HydrophobicContact CG-CG1 4.38Å; P73-V124 CarbonylContact C-O 3.59Å; P73-V124 VanDerWaalsContact CA-O 3.31Å; P73-V124 WeakPolarHBondContact CA-O 3.44Å; L74-V124 PolarHBondContact N-O 2.97Å; L74-V124 PolarHBondContact O-N 3.03Å; V76-V124 HydrophobicContact CG2-CG2 3.62Å; T117-V124 HydrophobicContact CG2-CG1 3.85Å; V124-F126 HydrophobicContact CB-CE2 4.36Å; V124-F126 HydrophobicContact CB-CZ 4.38Å; V124-F126 HydrophobicContact CG1-CE1 4.35Å; V124-F126 HydrophobicContact CG1-CE2 4.21Å; V124-F126 HydrophobicContact CG1-CZ 4Å; V124-F126 WeakPolarHBondContact O-CE2 3.38Å
125R97.6Very high96.4Very high110 Ų11076.9 Ų76.942%0.41540%0.395SS..EExtended strand (participates in β ladder)trans-91.4135.1171.5-176.8-172-57.6-97.2-1.4109.5P73 T117 E118 T120P73-R125 HydrophobicContact CG-CB 4.48Å; T117-R125 CarbonylContact C-O 3.54Å; T117-R125 WeakPolarHBondContact CA-O 3.27Å; T117-R125 WeakPolarHBondContact CB-O 3.39Å; E118-R125 HydrophobicContact CB-CB 4.33Å; E118-R125 PolarHBondContact N-O 3.03Å; E118-R125 PolarHBondContact O-N 3.37Å; T120-R125 HydrophobicContact CG2-CB 3.99Å
126F97.7Very high96.5Very high31 Ų3171.5 Ų71.514%0.13637%0.37CS..EExtended strand (participates in β ladder)trans-100.4123.4178.4-60.2-92.2000109.1Y61 V63 I68 L74 C95 V112 T117 V124Y61-F126 HydrophobicContact CD2-CE1 4.42Å; Y61-F126 HydrophobicContact CG-CE1 4.46Å; V63-F126 HydrophobicContact CG1-CD1 4.5Å; V63-F126 HydrophobicContact CG1-CE1 3.59Å; V63-F126 HydrophobicContact CG1-CE2 4.2Å; V63-F126 HydrophobicContact CG1-CZ 3.41Å; V63-F126 VanDerWaalsContact CG1-CZ 3.41Å; I68-F126 HydrophobicContact CD1-CB 3.88Å; I68-F126 HydrophobicContact CD1-CD1 3.81Å; I68-F126 HydrophobicContact CD1-CD2 3.4Å; I68-F126 HydrophobicContact CD1-CE1 4.22Å; I68-F126 HydrophobicContact CD1-CE2 3.88Å; I68-F126 HydrophobicContact CD1-CG 3.38Å; I68-F126 HydrophobicContact CD1-CZ 4.26Å; L74-F126 HydrophobicContact CB-CE2 4Å; L74-F126 HydrophobicContact CD1-CD2 4.27Å; L74-F126 HydrophobicContact CD1-CE2 3.57Å; L74-F126 HydrophobicContact CD1-CZ 4.24Å; L74-F126 HydrophobicContact CG-CD2 4.37Å; L74-F126 HydrophobicContact CG-CE2 3.75Å; C95-F126 HydrophobicContact CB-CZ 4.09Å; V112-F126 HydrophobicContact CB-CD1 3.75Å; V112-F126 HydrophobicContact CB-CE1 3.9Å; V112-F126 HydrophobicContact CG1-CD1 3.9Å; V112-F126 HydrophobicContact CG1-CE1 4.46Å; V112-F126 HydrophobicContact CG2-CD1 3.73Å; V112-F126 HydrophobicContact CG2-CE1 4.02Å; T117-F126 HydrophobicContact CG2-CD1 3.7Å; T117-F126 HydrophobicContact CG2-CE1 3.88Å; T117-F126 HydrophobicContact CG2-CG 4.5Å; V124-F126 HydrophobicContact CB-CE2 4.36Å; V124-F126 HydrophobicContact CB-CZ 4.38Å; V124-F126 HydrophobicContact CG1-CE1 4.35Å; V124-F126 HydrophobicContact CG1-CE2 4.21Å; V124-F126 HydrophobicContact CG1-CZ 4Å; V124-F126 WeakPolarHBondContact O-CE2 3.38Å
127T95.9Very high96.5Very high79 Ų7973.7 Ų73.749%0.48538%0.376SS..  trans-101.8-7-167.356.60000114Q116 E118Q116-T127 VanDerWaalsContact C-OG1 3.29Å; Q116-T127 PolarHBondContact O-N 3.44Å; Q116-T127 VanDerWaalsContact O-N 3.08Å; Q116-T127 PolarHBondContact O-OG1 3.3Å; Q116-T127 VanDerWaalsContact O-OG1 3.07Å; E118-T127 HydrophobicContact CB-CG2 4.46Å; E118-T127 HydrophobicContact CG-CG2 3.83Å
128A94.7Very high96.6Very high39 Ų3977.3 Ų77.332%0.32239%0.387SS..SBendtrans-122160.217900000111.5Q116Q116-A128 HydrophobicContact CB-CB 4.32Å; Q116-A128 HydrophobicContact CG-CB 4.42Å
129E95.2Very high96.6Very high155 Ų15579.4 Ų79.472%0.72439%0.39SS*.  trans-61.9134.5170.2-170.8-172.7164.400110.3
130V97.7Very high96.8Very high17 Ų1772.5 Ų72.510%0.10336%0.359CS..  trans-109.3124.2-178.3-174.50000109.6V63 L65 I68 A110 V112V63-V130 HydrophobicContact CG2-CG1 4.2Å; L65-V130 HydrophobicContact CD2-CB 4.35Å; L65-V130 HydrophobicContact CD2-CG1 3.95Å; I68-V130 HydrophobicContact CD1-CG2 4.14Å; I68-V130 HydrophobicContact CG1-CB 4.44Å; I68-V130 HydrophobicContact CG1-CG2 4.17Å; I68-V130 HydrophobicContact CG2-CB 4.25Å; I68-V130 HydrophobicContact CG2-CG2 3.97Å; A110-V130 HydrophobicContact CB-CG1 3.43Å; A110-V130 VanDerWaalsContact CB-CG1 3.43Å; V112-V130 HydrophobicContact CG2-CB 4.33Å; V112-V130 HydrophobicContact CG2-CG1 3.8Å; V112-V130 HydrophobicContact CG2-CG2 3.52Å
131R98Very high96.9Very high173 Ų17375.4 Ų75.465%0.65337%0.37SS*.  trans-99.1148179.6-63.4-179.7-178172.92.2111.7A110 G133 Q134A110-R131 WeakPolarHBondContact CB-O 3.37Å; R131-G133 PolarHBondContact O-N 3.06Å; R131-Q134 HydrophobicContact CB-CB 4.33Å; R131-Q134 WeakPolarHBondContact O-CB 3.24Å; R131-Q134 PolarHBondContact O-N 3.28Å; R131-Q134 VanDerWaalsContact O-N 3.13Å
132S98.2Very high97.2Very high91 Ų9172.8 Ų72.864%0.63636%0.357SS*.THydrogen-bonded Turntrans-57.9133.7172.2-170.10000111.2Q134S132-Q134 PolarHBondContact O-N 3.24Å
133G97.9Very high97.5Very high22 Ų2268.1 Ų68.123%0.22733%0.331CS..THydrogen-bonded Turntrans74.4-1.5-177.800000115.3E109 R131 N135 I136E109-G133 WeakPolarHBondContact O-CA 3.3Å; E109-G133 PolarHBondContact O-N 2.99Å; R131-G133 PolarHBondContact O-N 3.06Å; G133-N135 PolarHBondContact O-N 3.5Å; G133-I136 PolarHBondContact O-N 2.92Å
134Q98.3Very high97.6Very high41 Ų4170.6 Ų70.619%0.19235%0.346CS..THydrogen-bonded Turntrans-56.2130-179.5174.5177.4-15.500111.1A110 V111 R131 S132 I136A110-Q134 HydrophobicContact CB-CB 4.32Å; V111-Q134 PolarHBondContact N-O 3.45Å; R131-Q134 HydrophobicContact CB-CB 4.33Å; R131-Q134 WeakPolarHBondContact O-CB 3.24Å; R131-Q134 PolarHBondContact O-N 3.28Å; R131-Q134 VanDerWaalsContact O-N 3.13Å; S132-Q134 PolarHBondContact O-N 3.24Å; Q134-I136 PolarHBondContact O-N 3.08Å; Q134-I136 VanDerWaalsContact O-N 3.16Å
135N98.5Very high97.6Very high42 Ų4273 Ų7323%0.22537%0.366CS..THydrogen-bonded Turntrans55.825.9177.9-57.7-37.5000114.7A57 M58 V111 G133A57-N135 HydrophobicContact CB-CB 4.12Å; A57-N135 WeakPolarHBondContact CB-O 3.31Å; A57-N135 PolarHBondContact N-O 3.48Å; M58-N135 HydrophobicContact CG-CB 4.23Å; V111-N135 HydrophobicContact CB-CB 3.94Å; V111-N135 HydrophobicContact CG1-CB 4.43Å; V111-N135 WeakPolarHBondContact O-CB 3.39Å; V111-N135 PolarHBondContact O-ND2 2.84Å; G133-N135 PolarHBondContact O-N 3.5Å
136I98.6Very high97.7Very high12 Ų1270.4 Ų70.46%0.06237%0.374CS..EExtended strand (participates in β ladder)trans-107.4115.1168.7-56.7180000107.9D54 V104 V111 G133 Q134D54-I136 HydrophobicContact CB-CG2 4.05Å; V104-I136 HydrophobicContact CG1-CD1 4.47Å; V104-I136 HydrophobicContact CG1-CG1 4.23Å; V104-I136 HydrophobicContact CG1-CG2 4.17Å; V104-I136 HydrophobicContact CG2-CG2 4.41Å; V111-I136 HydrophobicContact CG2-CG1 4.19Å; G133-I136 PolarHBondContact O-N 2.92Å; Q134-I136 PolarHBondContact O-N 3.08Å; Q134-I136 VanDerWaalsContact O-N 3.16Å
137R98.4Very high97.7Very high105 Ų10570.9 Ų70.940%0.39638%0.383SS..EExtended strand (participates in β ladder)trans-78.7117.1167.6-66-175.5-177.9150.61.9108.3P51 D54 N55 A57 E141P51-R137 HydrophobicContact CG-CB 4.49Å; D54-R137 CarbonylContact C-O 3.6Å; D54-R137 VanDerWaalsContact CA-O 3.3Å; D54-R137 WeakPolarHBondContact CA-O 3.49Å; N55-R137 PolarHBondContact N-O 3.16Å; N55-R137 PolarHBondContact O-N 3.05Å; A57-R137 HydrophobicContact CB-CG 4.02Å; R137-E141 VanDerWaalsContact CA-OE1 3.32Å; R137-E141 WeakPolarHBondContact CA-OE1 3.35Å; R137-E141 WeakPolarHBondContact CA-OE2 3.33Å; R137-E141 WeakPolarHBondContact CB-OE1 3.38Å; R137-E141 VanDerWaalsContact CG-OE1 3.26Å; R137-E141 WeakPolarHBondContact CG-OE1 3.35Å
138R98.2Very high97.8Very high96 Ų9670.7 Ų70.736%0.36238%0.382SS..PPolyproline II helixtrans-79.8147.3-174.4-60.7-61.4-177.1174.41.4110.9P51 D54 G140 E141P51-R138 WeakPolarHBondContact CD-O 3.43Å; P51-R138 WeakPolarHBondContact CG-O 3.47Å; D54-R138 WeakPolarHBondContact OD1-CA 3.46Å; D54-R138 WeakPolarHBondContact OD2-CD 3.26Å; D54-R138 IonicContact OD2-CZ 3.85Å; D54-R138 IonicContact OD2-NE 2.72Å; D54-R138 IonicContact OD2-NH1 3.3Å; D54-R138 PolarHBondContact OD2-NH1 2.99Å; R138-G140 PolarHBondContact O-N 3.41Å; R138-E141 HydrophobicContact CB-CB 4.37Å; R138-E141 PolarHBondContact N-OE2 2.8Å; R138-E141 WeakPolarHBondContact O-CB 3.27Å; R138-E141 WeakPolarHBondContact O-CG 3.25Å; R138-E141 PolarHBondContact O-N 3.48Å; R138-E141 VanDerWaalsContact O-N 3.13Å
139R97.8Very high98Very high153 Ų15370.3 Ų70.358%0.57738%0.376SS*.THydrogen-bonded Turntrans-50.2126.8171.7176.9177.8168.3179-2110.1D49 P51 G52 D54 E141D49-R139 HydrophobicContact CB-CG 3.75Å; D49-R139 IonicContact OD2-CZ 2.72Å; D49-R139 IonicContact OD2-NE 3.69Å; D49-R139 PolarHBondContact OD2-NE 2.88Å; D49-R139 IonicContact OD2-NH2 3.34Å; D49-R139 PolarHBondContact OD2-NH2 2.94Å; P51-R139 CarbonylContact O-C 3.53Å; P51-R139 VanDerWaalsContact O-CA 3.27Å; P51-R139 WeakPolarHBondContact O-CA 3.38Å; G52-R139 WeakPolarHBondContact O-CD 3.45Å; D54-R139 PolarHBondContact OD1-N 3.28Å; R139-E141 VanDerWaalsContact C-N 3.27Å; R139-E141 PolarHBondContact O-N 3.06Å
140G97.7Very high98.2Very high6 Ų664.6 Ų64.66%0.06235%0.348CS..THydrogen-bonded Turntrans71.612.7175.700000115.7V50 P51 R138 D142 I143 S144V50-G140 CarbonylContact O-C 3.46Å; V50-G140 WeakPolarHBondContact O-CA 3.16Å; P51-G140 PolarHBondContact O-N 3.4Å; R138-G140 PolarHBondContact O-N 3.41Å; G140-D142 VanDerWaalsContact C-N 3.28Å; G140-D142 PolarHBondContact O-N 3.47Å; G140-I143 WeakPolarHBondContact CA-O 2.91Å; G140-I143 CarbonylContact O-C 3.53Å; G140-S144 PolarHBondContact O-OG 3.26Å
141E97.7Very high98.2Very high98 Ų9866.9 Ų66.946%0.45836%0.364SS..SBendtrans-66.1-29.518076.9-179-17000113.3R137 R138 R139R137-E141 VanDerWaalsContact CA-OE1 3.32Å; R137-E141 WeakPolarHBondContact CA-OE1 3.35Å; R137-E141 WeakPolarHBondContact CA-OE2 3.33Å; R137-E141 WeakPolarHBondContact CB-OE1 3.38Å; R137-E141 VanDerWaalsContact CG-OE1 3.26Å; R137-E141 WeakPolarHBondContact CG-OE1 3.35Å; R138-E141 HydrophobicContact CB-CB 4.37Å; R138-E141 PolarHBondContact N-OE2 2.8Å; R138-E141 WeakPolarHBondContact O-CB 3.27Å; R138-E141 WeakPolarHBondContact O-CG 3.25Å; R138-E141 PolarHBondContact O-N 3.48Å; R138-E141 VanDerWaalsContact O-N 3.13Å; R139-E141 VanDerWaalsContact C-N 3.27Å; R139-E141 PolarHBondContact O-N 3.06Å
142D97.1Very high98.3Very high117 Ų11760.4 Ų60.463%0.62635%0.347SS*.SBendtrans-87.7-48.9176.2-61.6-43.1000110.8V50 G140V50-D142 WeakPolarHBondContact O-CB 3.44Å; V50-D142 PolarHBondContact O-N 3.49Å; G140-D142 VanDerWaalsContact C-N 3.28Å; G140-D142 PolarHBondContact O-N 3.47Å
143I98.4Very high98.3Very high28 Ų2856.3 Ų56.314%0.14432%0.319CS..BIsolated β-bridgetrans-141.3121.8179.7-55.7173.8000108.8D49 V50 G140 V149 V163 L167D49-I143 CarbonylContact C-O 3.51Å; D49-I143 WeakPolarHBondContact CA-O 3.47Å; V50-I143 HydrophobicContact CB-CB 3.95Å; V50-I143 HydrophobicContact CB-CD1 4.43Å; V50-I143 HydrophobicContact CB-CG1 4.35Å; V50-I143 HydrophobicContact CG2-CB 4.13Å; V50-I143 HydrophobicContact CG2-CD1 4.28Å; V50-I143 PolarHBondContact N-O 2.94Å; V50-I143 PolarHBondContact O-N 3.45Å; G140-I143 WeakPolarHBondContact CA-O 2.91Å; G140-I143 CarbonylContact O-C 3.53Å; I143-V149 HydrophobicContact CD1-CG1 4Å; I143-V149 HydrophobicContact CD1-CG2 4.36Å; I143-V149 HydrophobicContact CG2-CG2 3.74Å; I143-V163 HydrophobicContact CD1-CG1 4Å; I143-L167 HydrophobicContact CD1-CD2 4.3Å
144S98.4Very high98.3Very high66 Ų6656.4 Ų56.446%0.46232%0.315SS..  trans-86.8144.7171.4-55.60000111.8D49 G140 G146 A147D49-S144 WeakPolarHBondContact OD1-CA 3.29Å; G140-S144 PolarHBondContact O-OG 3.26Å; S144-G146 PolarHBondContact O-N 3.49Å; S144-A147 VanDerWaalsContact O-CB 3.23Å; S144-A147 WeakPolarHBondContact O-CB 3.31Å; S144-A147 PolarHBondContact O-N 2.95Å; S144-A147 VanDerWaalsContact O-N 3.12Å
145A98.3Very high98.3Very high51 Ų5159.2 Ų59.242%0.42132%0.324SS..THydrogen-bonded Turntrans-56.2136.9171.900000110.7L48 D49 A147L48-A145 WeakPolarHBondContact O-CA 3.34Å; L48-A145 PolarHBondContact O-N 3.39Å; D49-A145 PolarHBondContact OD1-N 3.31Å; A145-A147 VanDerWaalsContact C-N 3.29Å; A145-A147 PolarHBondContact O-N 3.04Å
146G98.4Very high98.3Very high56 Ų5657.2 Ų57.258%0.57731%0.313SS*.THydrogen-bonded Turntrans82.9-7-176.100000115.2S46 S144S46-G146 PolarHBondContact O-N 2.83Å; S144-G146 PolarHBondContact O-N 3.49Å
147A98.5Very high98.3Very high41 Ų4158.4 Ų58.434%0.33932%0.321SS..  trans-75.2147.117400000111.8V45 S46 S144 A145 V149V45-A147 WeakPolarHBondContact CA-O 3.49Å; S46-A147 PolarHBondContact N-O 2.77Å; S144-A147 VanDerWaalsContact O-CB 3.23Å; S144-A147 WeakPolarHBondContact O-CB 3.31Å; S144-A147 PolarHBondContact O-N 2.95Å; S144-A147 VanDerWaalsContact O-N 3.12Å; A145-A147 VanDerWaalsContact C-N 3.29Å; A145-A147 PolarHBondContact O-N 3.04Å; A147-V149 PolarHBondContact O-N 3.49Å
148V98.7Very high98.3Very high76 Ų7658.5 Ų58.546%0.46133%0.334SS..EExtended strand (participates in β ladder)trans-74.1117.7167.6175.70000108.4D43 V45D43-V148 HydrophobicContact CB-CG1 3.9Å; D43-V148 HydrophobicContact CB-CG2 4.17Å; D43-V148 WeakPolarHBondContact OD2-CG2 3.44Å; V45-V148 HydrophobicContact CG2-CG2 4.3Å
149V98.7Very high98.3Very high30 Ų3056.9 Ų56.918%0.18234%0.341CS..EExtended strand (participates in β ladder)trans-87.7-46.9179.9-174.50000110.5V44 I143 A147 V163 L167V44-V149 PolarHBondContact O-N 3.44Å; I143-V149 HydrophobicContact CD1-CG1 4Å; I143-V149 HydrophobicContact CD1-CG2 4.36Å; I143-V149 HydrophobicContact CG2-CG2 3.74Å; A147-V149 PolarHBondContact O-N 3.49Å; V149-V163 HydrophobicContact CG1-CG1 3.93Å; V149-L167 HydrophobicContact CB-CD1 4.43Å; V149-L167 HydrophobicContact CG1-CD1 4.49Å; V149-L167 HydrophobicContact CG2-CD1 3.83Å
150F98.7Very high98.4Very high35 Ų3551.3 Ų51.315%0.15432%0.322CS..EExtended strand (participates in β ladder)trans-134.6128.4174.1-60.5-64.8000109.7L40 D43 V44 T154 E160 V163 I164L40-F150 HydrophobicContact CD1-CB 3.76Å; D43-F150 WeakPolarHBondContact CA-O 3.42Å; V44-F150 HydrophobicContact CB-CB 4.44Å; V44-F150 PolarHBondContact N-O 3.27Å; F150-T154 HydrophobicContact CB-CG2 4.49Å; F150-E160 HydrophobicContact CD1-CB 4.39Å; F150-E160 HydrophobicContact CD1-CG 3.85Å; F150-E160 HydrophobicContact CD2-CB 4.23Å; F150-E160 HydrophobicContact CE1-CB 4.06Å; F150-E160 HydrophobicContact CE1-CG 3.56Å; F150-E160 HydrophobicContact CE2-CB 3.85Å; F150-E160 HydrophobicContact CE2-CG 4.29Å; F150-E160 HydrophobicContact CG-CB 4.48Å; F150-E160 HydrophobicContact CG-CG 4.35Å; F150-E160 HydrophobicContact CZ-CB 3.77Å; F150-E160 HydrophobicContact CZ-CG 3.81Å; F150-V163 HydrophobicContact CE2-CB 3.89Å; F150-V163 HydrophobicContact CE2-CG1 3.9Å; F150-V163 HydrophobicContact CZ-CB 3.99Å; F150-V163 HydrophobicContact CZ-CG1 4.04Å; F150-V163 HydrophobicContact CZ-CG2 4.44Å; F150-I164 HydrophobicContact CD2-CD1 4.03Å; F150-I164 HydrophobicContact CD2-CG1 3.73Å; F150-I164 HydrophobicContact CE2-CD1 4.43Å; F150-I164 HydrophobicContact CE2-CG1 3.84Å
151P98.6Very high98.4Very high66 Ų6652 Ų5243%0.42932%0.324SS..  trans-75160.4179.530.5-34.8000112.1D43 T154D43-P151 VanDerWaalsContact OD1-CA 3.32Å; D43-P151 WeakPolarHBondContact OD1-CA 3.37Å; P151-T154 WeakPolarHBondContact CD-OG1 3.39Å; P151-T154 VanDerWaalsContact O-CB 3.31Å; P151-T154 WeakPolarHBondContact O-CB 3.17Å; P151-T154 PolarHBondContact O-N 3.1Å; P151-T154 PolarHBondContact O-OG1 3.3Å
152A98.6Very high98.5Very high37 Ų3750.9 Ų50.931%0.30633%0.325SS..THydrogen-bonded Turntrans-53.5143.4165.400000111D43 T154D43-A152 PolarHBondContact OD1-N 3.17Å; A152-T154 VanDerWaalsContact C-N 3.31Å
153G98.3Very high98.6Very high4 Ų447.5 Ų47.54%0.04131%0.308CS..THydrogen-bonded Turntrans86.6-5.9-17500000114.9L40 R155 G321 N322 T323L40-G153 PolarHBondContact O-N 2.9Å; G153-R155 PolarHBondContact O-N 2.65Å; G153-G321 VanDerWaalsContact CA-O 3.28Å; G153-G321 WeakPolarHBondContact CA-O 3.36Å; G153-N322 WeakPolarHBondContact O-CA 3.38Å; G153-N322 PolarHBondContact O-OD1 3.43Å; G153-T323 PolarHBondContact O-N 3.16Å; G153-T323 VanDerWaalsContact O-N 3.09Å; G153-T323 PolarHBondContact O-OG1 2.82Å
154T98.6Very high98.6Very high24 Ų2446.1 Ų46.115%0.14730%0.301CS..PPolyproline II helixtrans-66.3129.7173-58.40000110.6I39 L40 F150 P151 A152 E160I39-T154 WeakPolarHBondContact CA-O 3.42Å; L40-T154 PolarHBondContact N-O 3.03Å; F150-T154 HydrophobicContact CB-CG2 4.49Å; P151-T154 WeakPolarHBondContact CD-OG1 3.39Å; P151-T154 VanDerWaalsContact O-CB 3.31Å; P151-T154 WeakPolarHBondContact O-CB 3.17Å; P151-T154 PolarHBondContact O-N 3.1Å; P151-T154 PolarHBondContact O-OG1 3.3Å; A152-T154 VanDerWaalsContact C-N 3.31Å; T154-E160 HydrophobicContact CG2-CG 4.13Å
155R98.3Very high98.6Very high100 Ų10045.4 Ų45.438%0.37730%0.3SS..BIsolated β-bridgetrans-79.2117.6168.7-176173.6-174.9-89.73.8109.8R38 I39 G153 T157R38-R155 WeakPolarHBondContact O-CA 3.29Å; I39-R155 HydrophobicContact CD1-CB 3.58Å; I39-R155 HydrophobicContact CD1-CG 3.79Å; G153-R155 PolarHBondContact O-N 2.65Å; R155-T157 PolarHBondContact O-N 2.93Å
156L98.7Very high98.5Very high0 Ų046.5 Ų46.50%030%0.304CS..PPolyproline II helixtrans-75.8123-176.6-65.8172.6000111.3C35 G37 R38 L40 E160 L161 I164 V172 V174C35-L156 HydrophobicContact CB-CD1 3.8Å; C35-L156 WeakPolarHBondContact O-CB 3.47Å; G37-L156 WeakPolarHBondContact CA-O 3.14Å; G37-L156 PolarHBondContact N-O 3.25Å; R38-L156 PolarHBondContact O-N 2.96Å; L40-L156 HydrophobicContact CD1-CD2 3.82Å; L40-L156 HydrophobicContact CD2-CD1 4.22Å; L40-L156 HydrophobicContact CG-CD1 4.03Å; L40-L156 HydrophobicContact CG-CD2 3.87Å; L40-L156 HydrophobicContact CG-CG 4.04Å; L156-E160 HydrophobicContact CD2-CB 4Å; L156-L161 HydrophobicContact CB-CD1 4.48Å; L156-L161 HydrophobicContact CB-CD2 4Å; L156-L161 HydrophobicContact CB-CG 4.1Å; L156-L161 HydrophobicContact CD1-CD2 4.03Å; L156-L161 HydrophobicContact CD2-CD2 4.36Å; L156-L161 HydrophobicContact CG-CD2 4.36Å; L156-I164 HydrophobicContact CD2-CD1 3.57Å; L156-V172 HydrophobicContact CD1-CG2 3.89Å; L156-V174 HydrophobicContact CD1-CG1 3.98Å
157T98.5Very high98.5Very high37 Ų3744 Ų4423%0.22728%0.277CS..  trans-126.6-170.6176.179.40000110.8R155 A159 E160 L161R155-T157 PolarHBondContact O-N 2.93Å; T157-A159 PolarHBondContact O-N 3.05Å; T157-A159 PolarHBondContact OG1-N 3.08Å; T157-A159 VanDerWaalsContact OG1-N 3.13Å; T157-E160 VanDerWaalsContact CA-OE2 3.31Å; T157-E160 WeakPolarHBondContact CA-OE2 3.27Å; T157-E160 VanDerWaalsContact CB-OE2 3.28Å; T157-E160 WeakPolarHBondContact CB-OE2 3.38Å; T157-E160 PolarHBondContact N-OE2 2.74Å; T157-E160 PolarHBondContact O-N 3.11Å; T157-E160 PolarHBondContact OG1-OE2 3.02Å; T157-L161 WeakPolarHBondContact O-CB 3.33Å; T157-L161 WeakPolarHBondContact O-CG 3.24Å; T157-L161 PolarHBondContact O-N 3.27Å
158T98.6Very high98.5Very high107 Ų10745.2 Ų45.266%0.65629%0.294SS*.THydrogen-bonded Turntrans-61.5-21.9172.5-48.60000112.7P162T158-P162 WeakPolarHBondContact O-CD 3.32Å; T158-P162 VanDerWaalsContact O-CG 3.26Å; T158-P162 WeakPolarHBondContact O-CG 3.38Å
159A98.6Very high98.5Very high63 Ų6343.5 Ų43.552%0.52128%0.282SS..THydrogen-bonded Turntrans-73.4-39.8176.700000112T157T157-A159 PolarHBondContact O-N 3.05Å; T157-A159 PolarHBondContact OG1-N 3.08Å; T157-A159 VanDerWaalsContact OG1-N 3.13Å
160E98.8Very high98.5Very high36 Ų3645.7 Ų45.717%0.16830%0.303CS..THydrogen-bonded Turntrans-91-44.5-172.9-60.371.3-149.400112.7F150 T154 L156 T157 V163 I164F150-E160 HydrophobicContact CD1-CB 4.39Å; F150-E160 HydrophobicContact CD1-CG 3.85Å; F150-E160 HydrophobicContact CD2-CB 4.23Å; F150-E160 HydrophobicContact CE1-CB 4.06Å; F150-E160 HydrophobicContact CE1-CG 3.56Å; F150-E160 HydrophobicContact CE2-CB 3.85Å; F150-E160 HydrophobicContact CE2-CG 4.29Å; F150-E160 HydrophobicContact CG-CB 4.48Å; F150-E160 HydrophobicContact CG-CG 4.35Å; F150-E160 HydrophobicContact CZ-CB 3.77Å; F150-E160 HydrophobicContact CZ-CG 3.81Å; T154-E160 HydrophobicContact CG2-CG 4.13Å; L156-E160 HydrophobicContact CD2-CB 4Å; T157-E160 VanDerWaalsContact CA-OE2 3.31Å; T157-E160 WeakPolarHBondContact CA-OE2 3.27Å; T157-E160 VanDerWaalsContact CB-OE2 3.28Å; T157-E160 WeakPolarHBondContact CB-OE2 3.38Å; T157-E160 PolarHBondContact N-OE2 2.74Å; T157-E160 PolarHBondContact O-N 3.11Å; T157-E160 PolarHBondContact OG1-OE2 3.02Å; E160-V163 WeakPolarHBondContact O-CB 3.37Å; E160-V163 PolarHBondContact O-N 3.02Å; E160-I164 WeakPolarHBondContact O-CG1 3.5Å; E160-I164 PolarHBondContact O-N 3.11Å
161L98.9Very high98.5Very high21 Ų2149.5 Ų49.511%0.1132%0.322CS..Hα-helixtrans-58.5-43.3-170.5-70.5166.2000114L32 C35 F36 L156 T157 V163 I164 A165L32-L161 HydrophobicContact CB-CD2 4.27Å; L32-L161 HydrophobicContact CD2-CD2 4.27Å; C35-L161 HydrophobicContact CB-CD2 3.72Å; F36-L161 HydrophobicContact CB-CD1 4.43Å; L156-L161 HydrophobicContact CB-CD1 4.48Å; L156-L161 HydrophobicContact CB-CD2 4Å; L156-L161 HydrophobicContact CB-CG 4.1Å; L156-L161 HydrophobicContact CD1-CD2 4.03Å; L156-L161 HydrophobicContact CD2-CD2 4.36Å; L156-L161 HydrophobicContact CG-CD2 4.36Å; T157-L161 WeakPolarHBondContact O-CB 3.33Å; T157-L161 WeakPolarHBondContact O-CG 3.24Å; T157-L161 PolarHBondContact O-N 3.27Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 3.44Å; L161-I164 PolarHBondContact O-N 3.27Å; L161-A165 PolarHBondContact O-N 3.14Å
162P98.8Very high98.5Very high73 Ų7346.5 Ų46.547%0.47430%0.302SS..Hα-helixtrans-66.1-32176.3-22.435.9000113.3T158 A165 S166T158-P162 WeakPolarHBondContact O-CD 3.32Å; T158-P162 VanDerWaalsContact O-CG 3.26Å; T158-P162 WeakPolarHBondContact O-CG 3.38Å; P162-A165 PolarHBondContact O-N 3.25Å; P162-S166 PolarHBondContact O-N 3.34Å
163V98.6Very high98.5Very high46 Ų4646.6 Ų46.628%0.27930%0.3SS..Hα-helixtrans-66.1-44.7174.1177.50000109.4I143 V149 F150 E160 L161 A165 S166 L167I143-V163 HydrophobicContact CD1-CG1 4Å; V149-V163 HydrophobicContact CG1-CG1 3.93Å; F150-V163 HydrophobicContact CE2-CB 3.89Å; F150-V163 HydrophobicContact CE2-CG1 3.9Å; F150-V163 HydrophobicContact CZ-CB 3.99Å; F150-V163 HydrophobicContact CZ-CG1 4.04Å; F150-V163 HydrophobicContact CZ-CG2 4.44Å; E160-V163 WeakPolarHBondContact O-CB 3.37Å; E160-V163 PolarHBondContact O-N 3.02Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 3.44Å; V163-A165 VanDerWaalsContact C-N 3.29Å; V163-A165 PolarHBondContact O-N 3.09Å; V163-S166 PolarHBondContact O-N 3.44Å; V163-S166 VanDerWaalsContact O-N 3.15Å; V163-S166 PolarHBondContact O-OG 2.72Å; V163-L167 WeakPolarHBondContact O-CG 3.38Å; V163-L167 PolarHBondContact O-N 3.26Å
164I98.8Very high98.5Very high0 Ų046.4 Ų46.40%030%0.298CS..Hα-helixtrans-59.5-42.6174.8-59.4172.1000110.9L32 V44 F150 L156 E160 L161 S166 L167 I169 V172L32-I164 HydrophobicContact CD1-CB 4.25Å; L32-I164 HydrophobicContact CD1-CG2 4.05Å; L32-I164 HydrophobicContact CD2-CB 4.39Å; L32-I164 HydrophobicContact CD2-CG2 3.75Å; V44-I164 HydrophobicContact CG1-CG1 4.26Å; V44-I164 HydrophobicContact CG1-CG2 4.37Å; V44-I164 HydrophobicContact CG2-CD1 4.09Å; V44-I164 HydrophobicContact CG2-CG1 4.45Å; F150-I164 HydrophobicContact CD2-CD1 4.03Å; F150-I164 HydrophobicContact CD2-CG1 3.73Å; F150-I164 HydrophobicContact CE2-CD1 4.43Å; F150-I164 HydrophobicContact CE2-CG1 3.84Å; L156-I164 HydrophobicContact CD2-CD1 3.57Å; E160-I164 WeakPolarHBondContact O-CG1 3.5Å; E160-I164 PolarHBondContact O-N 3.11Å; L161-I164 PolarHBondContact O-N 3.27Å; I164-S166 VanDerWaalsContact C-N 3.32Å; I164-S166 PolarHBondContact O-N 3.3Å; I164-L167 WeakPolarHBondContact O-CB 3.45Å; I164-L167 PolarHBondContact O-N 3.37Å; I164-I169 HydrophobicContact CG2-CB 3.8Å; I164-I169 HydrophobicContact CG2-CD1 4.31Å; I164-I169 HydrophobicContact CG2-CG2 3.79Å; I164-V172 HydrophobicContact CD1-CG1 4.49Å; I164-V172 HydrophobicContact CG2-CG1 3.85Å
165A98.5Very high98.6Very high51 Ų5146.1 Ų46.142%0.42130%0.295SS..Hα-helixtrans-62.8-36.8177.300000112.6L32 L161 P162 V163 L167 G168L32-A165 HydrophobicContact CD1-CB 3.6Å; L161-A165 PolarHBondContact O-N 3.14Å; P162-A165 PolarHBondContact O-N 3.25Å; V163-A165 VanDerWaalsContact C-N 3.29Å; V163-A165 PolarHBondContact O-N 3.09Å; A165-L167 PolarHBondContact O-N 2.69Å; A165-G168 PolarHBondContact O-N 2.84Å
166S96.8Very high98.6Very high74 Ų7444.4 Ų44.452%0.51729%0.288SS..Hα-helixtrans-66.4-19.2179.280.60000113P162 V163 I164 G168P162-S166 PolarHBondContact O-N 3.34Å; V163-S166 PolarHBondContact O-N 3.44Å; V163-S166 VanDerWaalsContact O-N 3.15Å; V163-S166 PolarHBondContact O-OG 2.72Å; I164-S166 VanDerWaalsContact C-N 3.32Å; I164-S166 PolarHBondContact O-N 3.3Å; S166-G168 VanDerWaalsContact C-N 3.25Å; S166-G168 PolarHBondContact O-N 2.68Å
167L98.3Very high98.6Very high2 Ų248.8 Ų48.81%0.0131%0.307CS..THydrogen-bonded Turntrans-81.1-1.2172.7-53.5179.1000113.5V44 S46 P47 L48 V50 I143 V149 V163 I164 A165 I169V44-L167 HydrophobicContact CG1-CD1 4.37Å; S46-L167 WeakPolarHBondContact OG-CD2 3.36Å; P47-L167 HydrophobicContact CG-CB 4.34Å; P47-L167 VanDerWaalsContact CG-O 3.28Å; P47-L167 WeakPolarHBondContact CG-O 3.35Å; L48-L167 HydrophobicContact CD1-CD2 3.9Å; L48-L167 WeakPolarHBondContact CD2-O 3.14Å; L48-L167 HydrophobicContact CG-CD2 4.48Å; V50-L167 HydrophobicContact CG2-CD2 3.57Å; I143-L167 HydrophobicContact CD1-CD2 4.3Å; V149-L167 HydrophobicContact CB-CD1 4.43Å; V149-L167 HydrophobicContact CG1-CD1 4.49Å; V149-L167 HydrophobicContact CG2-CD1 3.83Å; V163-L167 WeakPolarHBondContact O-CG 3.38Å; V163-L167 PolarHBondContact O-N 3.26Å; I164-L167 WeakPolarHBondContact O-CB 3.45Å; I164-L167 PolarHBondContact O-N 3.37Å; A165-L167 PolarHBondContact O-N 2.69Å; L167-I169 VanDerWaalsContact C-N 3.3Å; L167-I169 HydrophobicContact CB-CD1 4.17Å; L167-I169 HydrophobicContact CB-CG1 4.24Å; L167-I169 HydrophobicContact CD1-CD1 4.33Å
168G97.8Very high98.6Very high67 Ų6747.3 Ų47.369%0.69130%0.298SS*.THydrogen-bonded Turntrans78.410.6-175.900000114.4A165 S166A165-G168 PolarHBondContact O-N 2.84Å; S166-G168 VanDerWaalsContact C-N 3.25Å; S166-G168 PolarHBondContact O-N 2.68Å
169I98.7Very high98.6Very high40 Ų4045.5 Ų45.521%0.20528%0.28CS..  trans-83.8120.9177.5-61.6171.5000108.7L32 V44 I164 L167 E171 V172L32-I169 VanDerWaalsContact CD1-O 3.23Å; L32-I169 WeakPolarHBondContact CD1-O 3.34Å; V44-I169 HydrophobicContact CG1-CD1 3.8Å; I164-I169 HydrophobicContact CG2-CB 3.8Å; I164-I169 HydrophobicContact CG2-CD1 4.31Å; I164-I169 HydrophobicContact CG2-CG2 3.79Å; L167-I169 VanDerWaalsContact C-N 3.3Å; L167-I169 HydrophobicContact CB-CD1 4.17Å; L167-I169 HydrophobicContact CB-CG1 4.24Å; L167-I169 HydrophobicContact CD1-CD1 4.33Å; I169-E171 WeakPolarHBondContact CG2-O 3.31Å; I169-V172 HydrophobicContact CG2-CG1 3.92Å
170A98.6Very high98.6Very high77 Ų7742.5 Ų42.564%0.63626%0.255SS*.  trans-91.7-24.3-176.700000114P31 L32P31-A170 WeakPolarHBondContact CA-O 3.4Å; L32-A170 WeakPolarHBondContact CG-O 3.44Å; L32-A170 PolarHBondContact N-O 2.87Å; L32-A170 VanDerWaalsContact N-O 3.08Å
171E98.9Very high98.6Very high115 Ų11540.8 Ų40.854%0.53725%0.247SC..EExtended strand (participates in β ladder)trans-147.3152.5-175.559.7-176.9-171.900110.7T29 L30 I169T29-E171 HydrophobicContact CG2-CB 3.88Å; T29-E171 HydrophobicContact CG2-CG 3.7Å; L30-E171 WeakPolarHBondContact O-CA 3.44Å; L30-E171 VanDerWaalsContact O-CB 3.26Å; L30-E171 WeakPolarHBondContact O-CB 3.45Å; I169-E171 WeakPolarHBondContact CG2-O 3.31Å
172V98.9Very high98.6Very high3 Ų339.8 Ų39.82%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-136.6148.1-179.8-70.40000111.2L30 L32 C35 L40 V44 L156 I164 I169 V174L30-V172 PolarHBondContact N-O 3.24Å; L30-V172 PolarHBondContact O-N 3.44Å; L32-V172 HydrophobicContact CD2-CB 4.46Å; L32-V172 HydrophobicContact CD2-CG1 3.87Å; L32-V172 HydrophobicContact CD2-CG2 3.92Å; C35-V172 HydrophobicContact CB-CG2 4.47Å; L40-V172 HydrophobicContact CD2-CB 3.96Å; L40-V172 HydrophobicContact CD2-CG1 4.41Å; L40-V172 HydrophobicContact CD2-CG2 4.16Å; V44-V172 HydrophobicContact CG2-CG1 4.27Å; L156-V172 HydrophobicContact CD1-CG2 3.89Å; I164-V172 HydrophobicContact CD1-CG1 4.49Å; I164-V172 HydrophobicContact CG2-CG1 3.85Å; I169-V172 HydrophobicContact CG2-CG1 3.92Å; V172-V174 HydrophobicContact CG2-CG1 4.09Å
173P98.9Very high98.6Very high39 Ų3936.3 Ų36.325%0.25322%0.219SC..EExtended strand (participates in β ladder)trans-7312617131-33.9000110.2A41A41-P173 HydrophobicContact CB-CB 4.31Å; A41-P173 PolarHBondContact N-O 3.27Å
174V98.9Very high98.4Very high0 Ų034.2 Ų34.20%021%0.206CC..EExtended strand (participates in β ladder)trans-125.8148.7177.1-64.20000110.7Q27 E28 L30 R38 I39 L156 V172 R176Q27-V174 CarbonylContact C-O 3.4Å; Q27-V174 WeakPolarHBondContact CA-O 3.4Å; Q27-V174 WeakPolarHBondContact CB-O 3.29Å; E28-V174 HydrophobicContact CG-CG2 3.98Å; E28-V174 PolarHBondContact N-O 3.47Å; E28-V174 WeakPolarHBondContact O-CG2 3.17Å; E28-V174 PolarHBondContact O-N 3.48Å; L30-V174 HydrophobicContact CD1-CG2 4.03Å; L30-V174 HydrophobicContact CG-CG2 4.37Å; R38-V174 HydrophobicContact CB-CB 3.97Å; R38-V174 HydrophobicContact CB-CG1 3.84Å; R38-V174 HydrophobicContact CB-CG2 4.2Å; R38-V174 HydrophobicContact CG-CG2 4.46Å; I39-V174 CarbonylContact O-C 3.53Å; I39-V174 WeakPolarHBondContact O-CA 3.45Å; I39-V174 VanDerWaalsContact O-CB 3.3Å; I39-V174 WeakPolarHBondContact O-CB 3.45Å; L156-V174 HydrophobicContact CD1-CG1 3.98Å; V172-V174 HydrophobicContact CG2-CG1 4.09Å; V174-R176 PolarHBondContact O-N 2.88Å
175I98.8Very high98.1Very high17 Ų1734.2 Ų34.29%0.08721%0.206CC..EExtended strand (participates in β ladder)trans-63.7136173.9-60.6170.5000107.9L24 R38 I39 A41 S320L24-I175 HydrophobicContact CB-CG2 3.77Å; R38-I175 PolarHBondContact NH2-O 3.04Å; I39-I175 HydrophobicContact CB-CD1 4.37Å; I39-I175 HydrophobicContact CG2-CD1 4Å; I39-I175 PolarHBondContact O-N 2.98Å; A41-I175 HydrophobicContact CB-CG1 3.94Å; I175-S320 WeakPolarHBondContact CD1-O 3.42Å
176R98.6Very high97.7Very high64 Ų6432.2 Ų32.224%0.24219%0.19CC..PPolyproline II helixtrans-56.6154.7178.572.3163.717875.9-1.5110.9P26 V174 V178 D245P26-R176 HydrophobicContact CB-CG 4.2Å; P26-R176 PolarHBondContact O-N 2.9Å; V174-R176 PolarHBondContact O-N 2.88Å; R176-V178 PolarHBondContact O-N 3.06Å; R176-D245 IonicContact CZ-OD1 3.95Å; R176-D245 IonicContact CZ-OD2 3.23Å; R176-D245 IonicContact NH1-OD1 3.75Å; R176-D245 IonicContact NH1-OD2 3.81Å; R176-D245 PolarHBondContact NH1-OD2 3.39Å; R176-D245 IonicContact NH2-OD1 3.2Å; R176-D245 PolarHBondContact NH2-OD1 2.79Å; R176-D245 IonicContact NH2-OD2 2.77Å; R176-D245 PolarHBondContact NH2-OD2 2.8Å
177K98.8Very high97.3Very high92 Ų9233.7 Ų33.740%0.419%0.192SC..PPolyproline II helixtrans-57.5142.1175-64.2-176.1178.1-177.50110.7R179 G217 E219K177-R179 PolarHBondContact O-N 3.18Å; K177-G217 WeakPolarHBondContact CD-O 3.23Å; K177-G217 WeakPolarHBondContact CG-O 3.42Å; K177-E219 HydrophobicContact CB-CB 4.35Å
178V98.8Very high97Very high6 Ų637.4 Ų37.44%0.03621%0.21CC..PPolyproline II helixtrans-66.8127.5169.3-177.80000107.8L24 R176 V180 C218 E219 D245 V246 L316 L319L24-V178 HydrophobicContact CD1-CB 4.39Å; L24-V178 HydrophobicContact CD1-CG2 3.89Å; R176-V178 PolarHBondContact O-N 3.06Å; V178-V180 HydrophobicContact CG1-CG2 4.06Å; V178-C218 WeakPolarHBondContact O-CA 3.44Å; V178-C218 WeakPolarHBondContact O-CB 3.36Å; V178-E219 PolarHBondContact O-N 2.98Å; V178-D245 HydrophobicContact CG1-CB 4.11Å; V178-V246 HydrophobicContact CG1-CG2 4.4Å; V178-L316 HydrophobicContact CG1-CD2 3.9Å; V178-L319 HydrophobicContact CG1-CB 4.49Å; V178-L319 HydrophobicContact CG1-CD1 4.5Å; V178-L319 HydrophobicContact CG2-CB 4.14Å
179R98.9Very high96.9Very high70 Ų7035.2 Ų35.226%0.26418%0.182SC..EExtended strand (participates in β ladder)trans-92.4125.7178.9-67.217065.690.61.9109K177 E219 I221 Q243 A244 D245 V246K177-R179 PolarHBondContact O-N 3.18Å; R179-E219 WeakPolarHBondContact CA-O 3.29Å; R179-E219 HydrophobicContact CG-CB 4.17Å; R179-E219 WeakPolarHBondContact CG-OE2 3.22Å; R179-E219 IonicContact CZ-OE1 3.33Å; R179-E219 IonicContact CZ-OE2 2.68Å; R179-E219 IonicContact NH1-OE1 2.99Å; R179-E219 PolarHBondContact NH1-OE1 2.9Å; R179-E219 IonicContact NH1-OE2 3.73Å; R179-E219 PolarHBondContact NH1-OE2 2.82Å; R179-E219 IonicContact NH2-OE1 3.76Å; R179-I221 HydrophobicContact CB-CD1 4.4Å; R179-Q243 PolarHBondContact NE-O 2.88Å; R179-Q243 PolarHBondContact NH2-O 2.91Å; R179-Q243 VanDerWaalsContact NH2-O 3.08Å; R179-A244 HydrophobicContact CB-CB 4.46Å; R179-D245 PolarHBondContact N-OD2 2.77Å; R179-D245 PolarHBondContact O-N 2.82Å; R179-V246 PolarHBondContact O-N 2.8Å
180V98.9Very high96.8Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-126.4111.5-176.7-173.50000109.9V178 L213 C218 E219 V220 I221 V246 I248 L316V178-V180 HydrophobicContact CG1-CG2 4.06Å; V180-L213 HydrophobicContact CB-CD1 4.07Å; V180-L213 HydrophobicContact CB-CD2 4.1Å; V180-L213 HydrophobicContact CG1-CD1 3.64Å; V180-L213 HydrophobicContact CG1-CD2 3.89Å; V180-L213 HydrophobicContact CG1-CG 4.44Å; V180-L213 HydrophobicContact CG2-CD2 3.96Å; V180-C218 HydrophobicContact CG2-CB 4.04Å; V180-E219 PolarHBondContact N-O 2.99Å; V180-V220 WeakPolarHBondContact O-CA 3.44Å; V180-I221 PolarHBondContact O-N 3.17Å; V180-V246 CarbonylContact C-O 3.57Å; V180-V246 VanDerWaalsContact CA-O 3.3Å; V180-V246 WeakPolarHBondContact CA-O 3.49Å; V180-V246 HydrophobicContact CG1-CB 4.23Å; V180-V246 HydrophobicContact CG1-CG1 4.42Å; V180-V246 HydrophobicContact CG2-CB 4.21Å; V180-I248 HydrophobicContact CG1-CD1 3.6Å; V180-I248 HydrophobicContact CG1-CG1 3.8Å; V180-L316 HydrophobicContact CG2-CD2 3.79Å
181A98.9Very high96.6Very high0 Ų034.4 Ų34.40%017%0.166CC..EExtended strand (participates in β ladder)trans-81137.4170.300000109.9I221 L223 A240 A244 V246 V247 I248A181-I221 CarbonylContact C-O 3.46Å; A181-I221 VanDerWaalsContact CA-O 3.31Å; A181-I221 WeakPolarHBondContact CA-O 3.43Å; A181-I221 HydrophobicContact CB-CB 4.44Å; A181-L223 HydrophobicContact CB-CD1 4.44Å; A181-A240 HydrophobicContact CB-CB 3.64Å; A181-A244 HydrophobicContact CB-CB 3.64Å; A181-V246 PolarHBondContact N-O 3.48Å; A181-V247 HydrophobicContact CB-CG2 4.3Å; A181-V247 CarbonylContact O-C 3.57Å; A181-V247 WeakPolarHBondContact O-CA 3.47Å; A181-I248 PolarHBondContact O-N 3.22Å
182L98.8Very high96.3Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-137.3131.3-170.8176.565.5000110.7R206 V209 H210 L213 V220 I221 N222 L223 I248L182-R206 HydrophobicContact CD2-CG 3.97Å; L182-R206 WeakPolarHBondContact CD2-O 3.5Å; L182-R206 HydrophobicContact CG-CG 3.96Å; L182-V209 HydrophobicContact CD1-CB 4.09Å; L182-V209 HydrophobicContact CD1-CG1 3.59Å; L182-V209 HydrophobicContact CD2-CB 4.22Å; L182-V209 HydrophobicContact CD2-CG1 4.01Å; L182-V209 HydrophobicContact CG-CG1 4.45Å; L182-H210 HydrophobicContact CD2-CB 3.83Å; L182-L213 HydrophobicContact CD2-CD1 4.3Å; L182-V220 HydrophobicContact CB-CG1 4.36Å; L182-V220 HydrophobicContact CD2-CG1 4.36Å; L182-I221 PolarHBondContact N-O 2.83Å; L182-N222 WeakPolarHBondContact O-CA 3.37Å; L182-L223 PolarHBondContact O-N 2.88Å; L182-I248 WeakPolarHBondContact CA-O 3.36Å; L182-I248 HydrophobicContact CD1-CB 3.95Å; L182-I248 HydrophobicContact CD1-CG2 3.95Å
183F97.7Very high96.1Very high0 Ų037.3 Ų37.30%021%0.21CC..EExtended strand (participates in β ladder)trans-151.1167.5172.265.6-91.9000112.6L223 G224 I226 L233 F237 V247 I248 S249 S250F183-L223 HydrophobicContact CB-CB 4.11Å; F183-L223 HydrophobicContact CD1-CD1 4.41Å; F183-G224 WeakPolarHBondContact CA-O 3.3Å; F183-I226 HydrophobicContact CB-CD1 4.47Å; F183-I226 HydrophobicContact CB-CG1 3.94Å; F183-I226 HydrophobicContact CD2-CG1 3.79Å; F183-I226 HydrophobicContact CG-CG1 4.03Å; F183-L233 HydrophobicContact CE2-CD2 4.37Å; F183-F237 HydrophobicContact CE1-CD1 4.29Å; F183-F237 HydrophobicContact CE1-CE1 4.15Å; F183-F237 HydrophobicContact CE2-CZ 4.41Å; F183-F237 HydrophobicContact CZ-CD1 4.07Å; F183-F237 HydrophobicContact CZ-CD2 4.43Å; F183-F237 AromaticContact CZ-CE1 3.64Å; F183-F237 HydrophobicContact CZ-CE1 3.64Å; F183-F237 HydrophobicContact CZ-CE2 4.03Å; F183-F237 HydrophobicContact CZ-CG 4.44Å; F183-F237 AromaticContact CZ-CZ 3.62Å; F183-F237 HydrophobicContact CZ-CZ 3.62Å; F183-V247 HydrophobicContact CD1-CG1 4.37Å; F183-V247 HydrophobicContact CE1-CG1 3.66Å; F183-I248 PolarHBondContact N-O 2.89Å; F183-I248 VanDerWaalsContact N-O 3.12Å; F183-S249 WeakPolarHBondContact O-CA 3.37Å; F183-S250 PolarHBondContact O-N 2.92Å; F183-S250 PolarHBondContact O-OG 3.25Å
184S95.6Very high96Very high1 Ų139.5 Ų39.51%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-123.3163.7166.556.30000109.4D203 R206 G224 I226 S250S184-D203 PolarHBondContact OG-OD2 2.89Å; S184-R206 PolarHBondContact OG-NE 2.91Å; S184-G224 PolarHBondContact N-O 2.74Å; S184-G224 VanDerWaalsContact N-O 3.14Å; S184-I226 PolarHBondContact O-N 3.48Å; S184-S250 WeakPolarHBondContact CB-OG 3.49Å
185T92.4Very high95.9Very high1 Ų144.8 Ų44.81%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-142.1156170.6-173.70000109.5L189 I226 L233 G251 G252T185-L189 WeakPolarHBondContact O-CD1 3.47Å; T185-I226 WeakPolarHBondContact CA-O 3.21Å; T185-I226 PolarHBondContact OG1-O 2.92Å; T185-L233 HydrophobicContact CG2-CD2 3.99Å; T185-G251 PolarHBondContact N-O 3.26Å; T185-G252 VanDerWaalsContact O-CA 3.29Å; T185-G252 WeakPolarHBondContact O-CA 3.29Å
186G89.6Confident95.9Very high8 Ų847.9 Ų47.98%0.08227%0.268CS..  trans135.8129.5178.500000112.2E188 L189G186-E188 WeakPolarHBondContact CA-OE2 3.36Å; G186-E188 PolarHBondContact O-N 3.22Å; G186-L189 WeakPolarHBondContact O-CB 3.15Å; G186-L189 PolarHBondContact O-N 2.93Å
187D89.3Confident95.8Very high105 Ų10546.8 Ų46.856%0.56128%0.276SS*.THydrogen-bonded Turntrans-66.8-17.9179.4-75.6-14.2000112.8L189 Q200 D228D187-L189 PolarHBondContact O-N 3Å; D187-Q200 PolarHBondContact O-NE2 3.36Å; D187-D228 WeakPolarHBondContact OD1-CB 3.37Å
188E91.3Very high95.6Very high81 Ų8150.5 Ų50.538%0.37930%0.3SS..THydrogen-bonded Turntrans-73-15.2172.683.7-74.2-172.200112.9G186 Q200 I201G186-E188 WeakPolarHBondContact CA-OE2 3.36Å; G186-E188 PolarHBondContact O-N 3.22Å; E188-Q200 CarbonylContact O-C 3.59Å; E188-Q200 WeakPolarHBondContact O-CA 3.17Å; E188-Q200 WeakPolarHBondContact O-CB 3.21Å; E188-I201 HydrophobicContact CG-CD1 4.27Å; E188-I201 HydrophobicContact CG-CG1 4.05Å; E188-I201 PolarHBondContact O-N 3.23Å; E188-I201 VanDerWaalsContact O-O 3.13Å
189L94.8Very high95.4Very high21 Ų2153.3 Ų53.311%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-87.1132.7-172.9-60.3-176.3000112.5T185 G186 D187 I201 D203 I225T185-L189 WeakPolarHBondContact O-CD1 3.47Å; G186-L189 WeakPolarHBondContact O-CB 3.15Å; G186-L189 PolarHBondContact O-N 2.93Å; D187-L189 PolarHBondContact O-N 3Å; L189-I201 CarbonylContact C-O 3.58Å; L189-I201 WeakPolarHBondContact CA-O 3.17Å; L189-I201 HydrophobicContact CD2-CD1 4.36Å; L189-I201 HydrophobicContact CD2-CG1 4.16Å; L189-D203 HydrophobicContact CB-CB 4.33Å; L189-D203 HydrophobicContact CD1-CB 4.47Å; L189-D203 HydrophobicContact CD2-CB 4.37Å; L189-I225 HydrophobicContact CB-CD1 4.02Å; L189-I225 HydrophobicContact CB-CG2 4.14Å; L189-I225 HydrophobicContact CD1-CG2 4.48Å
190Q96.6Very high95.3Very high30 Ų3052.3 Ų52.314%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-126146.8178.1-168.563.8-1500111.8Q194 P195 L196 I201 Y202 D203Q190-Q194 HydrophobicContact CG-CB 4.02Å; Q190-P195 PolarHBondContact NE2-O 3.46Å; Q190-L196 HydrophobicContact CB-CD2 3.8Å; Q190-L196 HydrophobicContact CG-CD2 4.13Å; Q190-I201 PolarHBondContact N-O 2.74Å; Q190-Y202 HydrophobicContact CB-CD1 4.2Å; Q190-Y202 HydrophobicContact CG-CD1 4.37Å; Q190-Y202 HydrophobicContact CG-CE1 4.22Å; Q190-Y202 WeakPolarHBondContact O-CA 3.35Å; Q190-D203 PolarHBondContact O-N 3.47Å
191L95.2Very high95.2Very high70 Ų7056.9 Ų56.937%0.36635%0.352SS..  trans-77.1142.7174.4-69.3174.9000111.5G193 Q194 Y202 I225L191-G193 PolarHBondContact O-N 3.37Å; L191-Q194 HydrophobicContact CB-CG 4.37Å; L191-Q194 PolarHBondContact O-N 2.9Å; L191-Y202 WeakPolarHBondContact O-CE1 3.4Å; L191-I225 HydrophobicContact CD2-CD1 3.71Å; L191-I225 HydrophobicContact CD2-CG1 4.11Å; L191-I225 HydrophobicContact CG-CD1 3.92Å
192P92.9Very high95.1Very high95 Ų9561.5 Ų61.562%0.61737%0.37SS*.THydrogen-bonded Turntrans-53.1139.6171.4-26.134.7000112.4Q194P192-Q194 VanDerWaalsContact C-N 3.31Å
193G95.1Very high95Very high83 Ų8362 Ų6286%0.85637%0.372SS*.THydrogen-bonded Turntrans87.8-10-178.600000114.7L191L191-G193 PolarHBondContact O-N 3.37Å
194Q95.9Very high95Very high86 Ų8665.5 Ų65.540%0.40239%0.394SS..SBendtrans-95.4149170-55.7-172.913.500110.6Q190 L191 P192 Y202Q190-Q194 HydrophobicContact CG-CB 4.02Å; L191-Q194 HydrophobicContact CB-CG 4.37Å; L191-Q194 PolarHBondContact O-N 2.9Å; P192-Q194 VanDerWaalsContact C-N 3.31Å; Q194-Y202 WeakPolarHBondContact O-CE1 3.4Å; Q194-Y202 PolarHBondContact O-OH 3.26Å
195P97.3Very high95.1Very high111 Ų11166 Ų6672%0.72140%0.397SS*.PPolyproline II helixtrans-64.6146.3175.528.1-34.5000110.9Q190Q190-P195 PolarHBondContact NE2-O 3.46Å
196L98.1Very high95.3Very high82 Ų8267.1 Ų67.143%0.42940%0.401SS..PPolyproline II helixtrans-78.6125.4171.4-68.1176000109.9Q190 Q200 Y202Q190-L196 HydrophobicContact CB-CD2 3.8Å; Q190-L196 HydrophobicContact CG-CD2 4.13Å; L196-Q200 HydrophobicContact CB-CB 4.48Å; L196-Q200 HydrophobicContact CD2-CB 4Å; L196-Y202 HydrophobicContact CD1-CD2 4.27Å; L196-Y202 HydrophobicContact CD1-CE2 3.82Å; L196-Y202 HydrophobicContact CD2-CD1 3.99Å; L196-Y202 HydrophobicContact CD2-CD2 4.19Å; L196-Y202 HydrophobicContact CD2-CE1 3.84Å; L196-Y202 HydrophobicContact CD2-CE2 4.05Å; L196-Y202 HydrophobicContact CD2-CG 4.17Å; L196-Y202 HydrophobicContact CG-CD2 4.45Å; L196-Y202 HydrophobicContact CG-CE1 4.19Å; L196-Y202 HydrophobicContact CG-CE2 3.88Å
197G96.1Very high95.8Very high40 Ų4071.8 Ų71.841%0.41242%0.423SS..  trans-76.8-174.916400000112.4Q200G197-Q200 PolarHBondContact O-N 2.99Å
198D95.8Very high96.2Very high171 Ų17167.8 Ų67.891%0.91441%0.405SS*.THydrogen-bonded Turntrans-65.3134.9178.3-169.424.3000111.4Q200D198-Q200 PolarHBondContact O-N 3.04Å; D198-Q200 VanDerWaalsContact O-N 3.07Å
199G95.2Very high96.5Very high64 Ų6464 Ų6466%0.6639%0.387SS*.THydrogen-bonded Turntrans65.51.3-176.400000116
200Q96.5Very high96.7Very high49 Ų4964.6 Ų64.623%0.22939%0.389CS..  trans-83.7151.5-175-65.7-165.2-51.300113.6D187 E188 L196 G197 D198D187-Q200 PolarHBondContact O-NE2 3.36Å; E188-Q200 CarbonylContact O-C 3.59Å; E188-Q200 WeakPolarHBondContact O-CA 3.17Å; E188-Q200 WeakPolarHBondContact O-CB 3.21Å; L196-Q200 HydrophobicContact CB-CB 4.48Å; L196-Q200 HydrophobicContact CD2-CB 4Å; G197-Q200 PolarHBondContact O-N 2.99Å; D198-Q200 PolarHBondContact O-N 3.04Å; D198-Q200 VanDerWaalsContact O-N 3.07Å
201I96.2Very high96.8Very high97 Ų9767.4 Ų67.450%0.49741%0.405SS..EExtended strand (participates in β ladder)trans-133.8156.2173.159.1173000109.7E188 L189 Q190E188-I201 HydrophobicContact CG-CD1 4.27Å; E188-I201 HydrophobicContact CG-CG1 4.05Å; E188-I201 PolarHBondContact O-N 3.23Å; E188-I201 VanDerWaalsContact O-O 3.13Å; L189-I201 CarbonylContact C-O 3.58Å; L189-I201 WeakPolarHBondContact CA-O 3.17Å; L189-I201 HydrophobicContact CD2-CD1 4.36Å; L189-I201 HydrophobicContact CD2-CG1 4.16Å; Q190-I201 PolarHBondContact N-O 2.74Å
202Y97.7Very high97Very high96 Ų9664.5 Ų64.538%0.37639%0.389SS..EExtended strand (participates in β ladder)trans-74.6138.4173.4-64.4-65.9000111.7Q190 L191 Q194 L196 T204Q190-Y202 HydrophobicContact CB-CD1 4.2Å; Q190-Y202 HydrophobicContact CG-CD1 4.37Å; Q190-Y202 HydrophobicContact CG-CE1 4.22Å; Q190-Y202 WeakPolarHBondContact O-CA 3.35Å; L191-Y202 WeakPolarHBondContact O-CE1 3.4Å; Q194-Y202 WeakPolarHBondContact O-CE1 3.4Å; Q194-Y202 PolarHBondContact O-OH 3.26Å; L196-Y202 HydrophobicContact CD1-CD2 4.27Å; L196-Y202 HydrophobicContact CD1-CE2 3.82Å; L196-Y202 HydrophobicContact CD2-CD1 3.99Å; L196-Y202 HydrophobicContact CD2-CD2 4.19Å; L196-Y202 HydrophobicContact CD2-CE1 3.84Å; L196-Y202 HydrophobicContact CD2-CE2 4.05Å; L196-Y202 HydrophobicContact CD2-CG 4.17Å; L196-Y202 HydrophobicContact CG-CD2 4.45Å; L196-Y202 HydrophobicContact CG-CE1 4.19Å; L196-Y202 HydrophobicContact CG-CE2 3.88Å; Y202-T204 PolarHBondContact O-N 3Å; Y202-T204 VanDerWaalsContact O-N 3.15Å
203D96.8Very high97.3Very high10 Ų1060 Ų605%0.05336%0.36CS..  trans-70.9105.7176179.410.7000111.2S184 L189 Q190 R206 I225S184-D203 PolarHBondContact OG-OD2 2.89Å; L189-D203 HydrophobicContact CB-CB 4.33Å; L189-D203 HydrophobicContact CD1-CB 4.47Å; L189-D203 HydrophobicContact CD2-CB 4.37Å; Q190-D203 PolarHBondContact O-N 3.47Å; D203-R206 WeakPolarHBondContact OD1-CB 3.47Å; D203-R206 PolarHBondContact OD1-N 2.99Å; D203-R206 WeakPolarHBondContact OD2-CB 3.44Å; D203-R206 IonicContact OD2-CZ 3.25Å; D203-R206 VanDerWaalsContact OD2-CZ 3.25Å; D203-R206 IonicContact OD2-NE 2.77Å; D203-R206 PolarHBondContact OD2-NE 2.77Å; D203-R206 IonicContact OD2-NH2 2.88Å; D203-R206 PolarHBondContact OD2-NH2 3.18Å; D203-I225 HydrophobicContact CB-CD1 3.96Å; D203-I225 HydrophobicContact CB-CG1 4.38Å
204T96.9Very high97.4Very high75 Ų7561 Ų6146%0.4634%0.342SS..  trans-104.9-33.6-177.350.90000112.8Y202 R206 L207 A208Y202-T204 PolarHBondContact O-N 3Å; Y202-T204 VanDerWaalsContact O-N 3.15Å; T204-R206 VanDerWaalsContact C-N 3.32Å; T204-R206 PolarHBondContact O-N 2.78Å; T204-L207 PolarHBondContact O-N 2.9Å; T204-A208 PolarHBondContact O-N 3.35Å
205N96.9Very high97.5Very high11 Ų1163 Ų636%0.05935%0.352CS..Hα-helixtrans-63.9-40.5-175.7-62.70.2000111.1L207 A208 V209 S250 G299 P301 A304N205-L207 VanDerWaalsContact C-N 3.31Å; N205-L207 PolarHBondContact O-N 2.77Å; N205-A208 PolarHBondContact O-N 3.36Å; N205-V209 WeakPolarHBondContact O-CG2 3.33Å; N205-V209 PolarHBondContact O-N 2.78Å; N205-S250 WeakPolarHBondContact CB-O 3.42Å; N205-S250 PolarHBondContact ND2-O 3.33Å; N205-G299 PolarHBondContact ND2-O 2.89Å; N205-P301 WeakPolarHBondContact OD1-CA 3.46Å; N205-P301 WeakPolarHBondContact OD1-CB 3.34Å; N205-P301 WeakPolarHBondContact OD1-CG 3.46Å; N205-A304 HydrophobicContact CB-CB 4.41Å
206R98Very high97.5Very high25 Ų2560.3 Ų60.39%0.09433%0.331CS..Hα-helixtrans-62.4-42.2179.9-169.3161.149.776.913.5111.4L182 S184 D203 T204 H210 N222 G224 S250L182-R206 HydrophobicContact CD2-CG 3.97Å; L182-R206 WeakPolarHBondContact CD2-O 3.5Å; L182-R206 HydrophobicContact CG-CG 3.96Å; S184-R206 PolarHBondContact OG-NE 2.91Å; D203-R206 WeakPolarHBondContact OD1-CB 3.47Å; D203-R206 PolarHBondContact OD1-N 2.99Å; D203-R206 WeakPolarHBondContact OD2-CB 3.44Å; D203-R206 IonicContact OD2-CZ 3.25Å; D203-R206 VanDerWaalsContact OD2-CZ 3.25Å; D203-R206 IonicContact OD2-NE 2.77Å; D203-R206 PolarHBondContact OD2-NE 2.77Å; D203-R206 IonicContact OD2-NH2 2.88Å; D203-R206 PolarHBondContact OD2-NH2 3.18Å; T204-R206 VanDerWaalsContact C-N 3.32Å; T204-R206 PolarHBondContact O-N 2.78Å; R206-H210 VanDerWaalsContact O-CB 3.3Å; R206-H210 WeakPolarHBondContact O-CB 3.43Å; R206-H210 PolarHBondContact O-N 3.16Å; R206-N222 WeakPolarHBondContact CD-OD1 3.44Å; R206-N222 PolarHBondContact NH1-ND2 2.87Å; R206-N222 PolarHBondContact NH1-OD1 2.8Å; R206-G224 VanDerWaalsContact CD-O 3.31Å; R206-G224 WeakPolarHBondContact CD-O 3.49Å; R206-G224 PolarHBondContact NE-O 3.46Å; R206-S250 WeakPolarHBondContact CA-OG 3.43Å; R206-S250 WeakPolarHBondContact CB-OG 3.49Å; R206-S250 PolarHBondContact N-OG 3.23Å
207L98.3Very high97.5Very high106 Ų10658 Ų5856%0.55533%0.328SS*.Hα-helixtrans-63.3-47.3174.6-179.962.5000111.5T204 N205 V209 H210 L211T204-L207 PolarHBondContact O-N 2.9Å; N205-L207 VanDerWaalsContact C-N 3.31Å; N205-L207 PolarHBondContact O-N 2.77Å; L207-V209 PolarHBondContact O-N 3.45Å; L207-H210 WeakPolarHBondContact O-CB 3.28Å; L207-H210 PolarHBondContact O-N 2.76Å; L207-L211 HydrophobicContact CD1-CD1 4.22Å; L207-L211 HydrophobicContact CD1-CG 4.22Å; L207-L211 HydrophobicContact CG-CD1 4.1Å; L207-L211 WeakPolarHBondContact O-CG 3.19Å; L207-L211 PolarHBondContact O-N 3.07Å
208A98.3Very high97.7Very high21 Ų2156.7 Ų56.717%0.17431%0.312CS..Hα-helixtrans-58.7-46.4179.900000112T204 N205 L211 M212T204-A208 PolarHBondContact O-N 3.35Å; N205-A208 PolarHBondContact O-N 3.36Å; A208-L211 PolarHBondContact O-N 3.12Å; A208-M212 WeakPolarHBondContact O-CE 3.33Å; A208-M212 WeakPolarHBondContact O-CG 3.44Å; A208-M212 PolarHBondContact O-N 3.47Å; A208-M212 VanDerWaalsContact O-N 3.13Å
209V98.6Very high97.8Very high1 Ų152.5 Ų52.51%0.00629%0.287CS..Hα-helixtrans-64.9-43.1177.6173.80000111.2L182 N205 L207 L211 M212 L213 I248 L297 F308L182-V209 HydrophobicContact CD1-CB 4.09Å; L182-V209 HydrophobicContact CD1-CG1 3.59Å; L182-V209 HydrophobicContact CD2-CB 4.22Å; L182-V209 HydrophobicContact CD2-CG1 4.01Å; L182-V209 HydrophobicContact CG-CG1 4.45Å; N205-V209 WeakPolarHBondContact O-CG2 3.33Å; N205-V209 PolarHBondContact O-N 2.78Å; L207-V209 PolarHBondContact O-N 3.45Å; V209-L211 PolarHBondContact O-N 2.93Å; V209-M212 HydrophobicContact CG2-CE 4.4Å; V209-M212 PolarHBondContact O-N 2.99Å; V209-L213 HydrophobicContact CG1-CD1 3.74Å; V209-L213 HydrophobicContact CG1-CG 4.1Å; V209-L213 WeakPolarHBondContact O-CB 3.37Å; V209-L213 VanDerWaalsContact O-CG 3.25Å; V209-L213 WeakPolarHBondContact O-CG 3.17Å; V209-L213 PolarHBondContact O-N 3.16Å; V209-I248 HydrophobicContact CG1-CD1 4.29Å; V209-I248 HydrophobicContact CG1-CG2 4.23Å; V209-L297 HydrophobicContact CG2-CD1 3.57Å; V209-F308 HydrophobicContact CG1-CD2 3.9Å; V209-F308 HydrophobicContact CG1-CE2 3.75Å; V209-F308 HydrophobicContact CG2-CD2 4.21Å
210H98.8Very high98Very high33 Ų3350.9 Ų50.915%0.15326%0.264CS..Hα-helixtrans-56.9-48.7177.7-167.6-62.9000112.2L182 R206 L207 M212 L213 E214 V220 N222L182-H210 HydrophobicContact CD2-CB 3.83Å; R206-H210 VanDerWaalsContact O-CB 3.3Å; R206-H210 WeakPolarHBondContact O-CB 3.43Å; R206-H210 PolarHBondContact O-N 3.16Å; L207-H210 WeakPolarHBondContact O-CB 3.28Å; L207-H210 PolarHBondContact O-N 2.76Å; H210-M212 VanDerWaalsContact C-N 3.34Å; H210-M212 PolarHBondContact O-N 3.4Å; H210-L213 PolarHBondContact O-N 3.33Å; H210-E214 IonicContact CE1-OE1 3.26Å; H210-E214 PolarHBondContact CE1-OE1 3.27Å; H210-E214 VanDerWaalsContact CE1-OE1 3.26Å; H210-E214 IonicContact ND1-OE1 3.63Å; H210-E214 PolarHBondContact O-N 3.27Å; H210-V220 VanDerWaalsContact CD2-CG1 3.47Å; H210-V220 WeakPolarHBondContact CD2-CG1 3.32Å; H210-N222 PolarHBondContact CD2-ND2 3.36Å
211L98.7Very high98.1Very high90 Ų9049.9 Ų49.947%0.47126%0.26SS..Hα-helixtrans-60.6-45.5179.1-68.3170.6000110.9L207 A208 V209 L213 E214 Q215L207-L211 HydrophobicContact CD1-CD1 4.22Å; L207-L211 HydrophobicContact CD1-CG 4.22Å; L207-L211 HydrophobicContact CG-CD1 4.1Å; L207-L211 WeakPolarHBondContact O-CG 3.19Å; L207-L211 PolarHBondContact O-N 3.07Å; A208-L211 PolarHBondContact O-N 3.12Å; V209-L211 PolarHBondContact O-N 2.93Å; L211-L213 PolarHBondContact O-N 2.93Å; L211-E214 PolarHBondContact O-N 2.87Å; L211-Q215 VanDerWaalsContact O-CG 3.31Å; L211-Q215 WeakPolarHBondContact O-CG 3.22Å; L211-Q215 PolarHBondContact O-N 3.28Å; L211-Q215 VanDerWaalsContact O-N 3.08Å
212M98.6Very high98.2Very high8 Ų848.4 Ų48.44%0.03925%0.253CS..Hα-helixtrans-63.9-40.9178.1-67.7-174.4-71.500112.2A208 V209 H210 Q215 L216 T305 F308 L407 F408A208-M212 WeakPolarHBondContact O-CE 3.33Å; A208-M212 WeakPolarHBondContact O-CG 3.44Å; A208-M212 PolarHBondContact O-N 3.47Å; A208-M212 VanDerWaalsContact O-N 3.13Å; V209-M212 HydrophobicContact CG2-CE 4.4Å; V209-M212 PolarHBondContact O-N 2.99Å; H210-M212 VanDerWaalsContact C-N 3.34Å; H210-M212 PolarHBondContact O-N 3.4Å; M212-Q215 PolarHBondContact O-N 3.49Å; M212-L216 WeakPolarHBondContact O-CB 3.29Å; M212-L216 WeakPolarHBondContact O-CG 3.36Å; M212-L216 PolarHBondContact O-N 3.41Å; M212-T305 HydrophobicContact CE-CG2 4.23Å; M212-T305 HydrophobicContact SD-CG2 4.36Å; M212-F308 HydrophobicContact CB-CD1 4.13Å; M212-F308 HydrophobicContact CB-CE1 3.48Å; M212-F308 VanDerWaalsContact CB-CE1 3.48Å; M212-F308 HydrophobicContact CB-CZ 3.99Å; M212-F308 HydrophobicContact CE-CB 4.08Å; M212-F308 HydrophobicContact CE-CD1 3.37Å; M212-F308 HydrophobicContact CE-CE1 3.95Å; M212-F308 HydrophobicContact CE-CG 3.75Å; M212-F308 HydrophobicContact CG-CE1 4.3Å; M212-F308 HydrophobicContact SD-CD1 3.61Å; M212-F308 HydrophobicContact SD-CE1 3.94Å; M212-L407 HydrophobicContact CB-CD1 4.12Å; M212-L407 HydrophobicContact CB-CD2 4.25Å; M212-L407 HydrophobicContact CG-CB 4.36Å; M212-L407 HydrophobicContact CG-CD1 3.98Å; M212-L407 HydrophobicContact CG-CD2 4.31Å; M212-L407 HydrophobicContact CG-CG 4.45Å; M212-L407 HydrophobicContact SD-CD1 4.16Å; M212-F408 HydrophobicContact SD-CZ 4.22Å
213L98.8Very high98.2Very high0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-62.7-45.3177.1-72.8170.7000112.6V180 L182 V209 H210 L211 Q215 L216 G217 C218 V220 I248 F308 L316V180-L213 HydrophobicContact CB-CD1 4.07Å; V180-L213 HydrophobicContact CB-CD2 4.1Å; V180-L213 HydrophobicContact CG1-CD1 3.64Å; V180-L213 HydrophobicContact CG1-CD2 3.89Å; V180-L213 HydrophobicContact CG1-CG 4.44Å; V180-L213 HydrophobicContact CG2-CD2 3.96Å; L182-L213 HydrophobicContact CD2-CD1 4.3Å; V209-L213 HydrophobicContact CG1-CD1 3.74Å; V209-L213 HydrophobicContact CG1-CG 4.1Å; V209-L213 WeakPolarHBondContact O-CB 3.37Å; V209-L213 VanDerWaalsContact O-CG 3.25Å; V209-L213 WeakPolarHBondContact O-CG 3.17Å; V209-L213 PolarHBondContact O-N 3.16Å; H210-L213 PolarHBondContact O-N 3.33Å; L211-L213 PolarHBondContact O-N 2.93Å; L213-Q215 PolarHBondContact O-N 3.14Å; L213-L216 PolarHBondContact O-N 3.42Å; L213-G217 PolarHBondContact O-N 3.1Å; L213-C218 HydrophobicContact CB-CB 4.3Å; L213-C218 HydrophobicContact CD2-CB 4.41Å; L213-C218 WeakPolarHBondContact O-CB 3.42Å; L213-C218 PolarHBondContact O-N 3.04Å; L213-V220 HydrophobicContact CB-CG2 3.51Å; L213-V220 HydrophobicContact CD1-CG1 4.15Å; L213-V220 HydrophobicContact CD1-CG2 4.21Å; L213-I248 HydrophobicContact CD1-CD1 4.33Å; L213-I248 HydrophobicContact CD2-CD1 4.22Å; L213-F308 HydrophobicContact CD2-CE2 3.83Å; L213-F308 HydrophobicContact CD2-CZ 3.77Å; L213-F308 HydrophobicContact CG-CE2 4.04Å; L213-F308 HydrophobicContact CG-CZ 3.98Å; L213-L316 HydrophobicContact CD2-CD1 3.44Å; L213-L316 VanDerWaalsContact CD2-CD1 3.44Å
214E98.5Very high98.3Very high104 Ų10446 Ų4649%0.48625%0.251SS..Hα-helixtrans-60.7-45.6176.5-77.7-167.8156.400111.5H210 L211 L216 G217 V220H210-E214 IonicContact CE1-OE1 3.26Å; H210-E214 PolarHBondContact CE1-OE1 3.27Å; H210-E214 VanDerWaalsContact CE1-OE1 3.26Å; H210-E214 IonicContact ND1-OE1 3.63Å; H210-E214 PolarHBondContact O-N 3.27Å; L211-E214 PolarHBondContact O-N 2.87Å; E214-L216 VanDerWaalsContact C-N 3.26Å; E214-L216 PolarHBondContact O-N 3.07Å; E214-G217 PolarHBondContact O-N 3.48Å; E214-V220 HydrophobicContact CG-CG2 3.94Å
215Q98Very high98.2Very high130 Ų13044.7 Ų44.761%0.60724%0.24SC*.Hα-helixtrans-66.6-27.9178.3-67.2-53.7-59.800112.9L211 M212 L213 G217 L407L211-Q215 VanDerWaalsContact O-CG 3.31Å; L211-Q215 WeakPolarHBondContact O-CG 3.22Å; L211-Q215 PolarHBondContact O-N 3.28Å; L211-Q215 VanDerWaalsContact O-N 3.08Å; M212-Q215 PolarHBondContact O-N 3.49Å; L213-Q215 PolarHBondContact O-N 3.14Å; Q215-G217 PolarHBondContact O-N 2.81Å; Q215-L407 HydrophobicContact CB-CD2 3.47Å; Q215-L407 VanDerWaalsContact CB-CD2 3.47Å; Q215-L407 HydrophobicContact CG-CD2 4.31Å
216L97.7Very high98.2Very high54 Ų5445.2 Ų45.228%0.28324%0.243SC..THydrogen-bonded Turntrans-76.4-3.5171.7-70.1171.4000113.3M212 L213 E214 F308 Q313 L316 L407M212-L216 WeakPolarHBondContact O-CB 3.29Å; M212-L216 WeakPolarHBondContact O-CG 3.36Å; M212-L216 PolarHBondContact O-N 3.41Å; L213-L216 PolarHBondContact O-N 3.42Å; E214-L216 VanDerWaalsContact C-N 3.26Å; E214-L216 PolarHBondContact O-N 3.07Å; L216-F308 HydrophobicContact CD1-CE1 3.89Å; L216-F308 HydrophobicContact CD1-CZ 3.95Å; L216-Q313 HydrophobicContact CD1-CB 4.05Å; L216-Q313 HydrophobicContact CD1-CG 4.04Å; L216-Q313 HydrophobicContact CD2-CG 3.92Å; L216-L316 HydrophobicContact CD1-CD1 4.21Å; L216-L407 HydrophobicContact CG-CD2 4.44Å
217G98Very high97.8Very high34 Ų3452.8 Ų52.835%0.35127%0.272SS..THydrogen-bonded Turntrans8515.7176.700000114.6K177 L213 E214 Q215K177-G217 WeakPolarHBondContact CD-O 3.23Å; K177-G217 WeakPolarHBondContact CG-O 3.42Å; L213-G217 PolarHBondContact O-N 3.1Å; E214-G217 PolarHBondContact O-N 3.48Å; Q215-G217 PolarHBondContact O-N 2.81Å
218C98.7Very high97.2Very high12 Ų1251 Ų518%0.08126%0.262CS..  trans-75.9158175.6-60.40000112V178 V180 L213V178-C218 WeakPolarHBondContact O-CA 3.44Å; V178-C218 WeakPolarHBondContact O-CB 3.36Å; V180-C218 HydrophobicContact CG2-CB 4.04Å; L213-C218 HydrophobicContact CB-CB 4.3Å; L213-C218 HydrophobicContact CD2-CB 4.41Å; L213-C218 WeakPolarHBondContact O-CB 3.42Å; L213-C218 PolarHBondContact O-N 3.04Å
219E98.8Very high96.8Very high83 Ų8352.6 Ų52.639%0.38827%0.268SS..EExtended strand (participates in β ladder)trans-90.9114.5163.2-175.3-172.4163.600108.2K177 V178 R179 V180K177-E219 HydrophobicContact CB-CB 4.35Å; V178-E219 PolarHBondContact O-N 2.98Å; R179-E219 WeakPolarHBondContact CA-O 3.29Å; R179-E219 HydrophobicContact CG-CB 4.17Å; R179-E219 WeakPolarHBondContact CG-OE2 3.22Å; R179-E219 IonicContact CZ-OE1 3.33Å; R179-E219 IonicContact CZ-OE2 2.68Å; R179-E219 IonicContact NH1-OE1 2.99Å; R179-E219 PolarHBondContact NH1-OE1 2.9Å; R179-E219 IonicContact NH1-OE2 3.73Å; R179-E219 PolarHBondContact NH1-OE2 2.82Å; R179-E219 IonicContact NH2-OE1 3.76Å; V180-E219 PolarHBondContact N-O 2.99Å
220V98.9Very high96.4Very high29 Ų2954.6 Ų54.618%0.17628%0.281CS..EExtended strand (participates in β ladder)trans-97.3128.4-173.7-169.50000110.9V180 L182 H210 L213 E214V180-V220 WeakPolarHBondContact O-CA 3.44Å; L182-V220 HydrophobicContact CB-CG1 4.36Å; L182-V220 HydrophobicContact CD2-CG1 4.36Å; H210-V220 VanDerWaalsContact CD2-CG1 3.47Å; H210-V220 WeakPolarHBondContact CD2-CG1 3.32Å; L213-V220 HydrophobicContact CB-CG2 3.51Å; L213-V220 HydrophobicContact CD1-CG1 4.15Å; L213-V220 HydrophobicContact CD1-CG2 4.21Å; E214-V220 HydrophobicContact CG-CG2 3.94Å
221I98.9Very high96.1Very high29 Ų2960.1 Ų60.115%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-114.191.6176.6-54.4151.6000107.9R179 V180 A181 L182 L223 Q243 A244R179-I221 HydrophobicContact CB-CD1 4.4Å; V180-I221 PolarHBondContact O-N 3.17Å; A181-I221 CarbonylContact C-O 3.46Å; A181-I221 VanDerWaalsContact CA-O 3.31Å; A181-I221 WeakPolarHBondContact CA-O 3.43Å; A181-I221 HydrophobicContact CB-CB 4.44Å; L182-I221 PolarHBondContact N-O 2.83Å; I221-L223 PolarHBondContact O-N 2.98Å; I221-Q243 HydrophobicContact CD1-CB 4.28Å; I221-Q243 HydrophobicContact CD1-CG 3.89Å; I221-Q243 VanDerWaalsContact CD1-O 3.31Å; I221-Q243 WeakPolarHBondContact CD1-O 3.36Å; I221-Q243 HydrophobicContact CG2-CG 4.36Å; I221-Q243 VanDerWaalsContact CG2-NE2 3.29Å; I221-A244 HydrophobicContact CD1-CB 4.4Å
222N98.5Very high95.9Very high66 Ų6657.3 Ų57.335%0.35330%0.297SS..EExtended strand (participates in β ladder)trans-88.6107.9-173.3-170-14000111.1L182 R206 H210 G224L182-N222 WeakPolarHBondContact O-CA 3.37Å; R206-N222 WeakPolarHBondContact CD-OD1 3.44Å; R206-N222 PolarHBondContact NH1-ND2 2.87Å; R206-N222 PolarHBondContact NH1-OD1 2.8Å; H210-N222 PolarHBondContact CD2-ND2 3.36Å; N222-G224 VanDerWaalsContact C-N 3.31Å; N222-G224 PolarHBondContact OD1-N 3.46Å; N222-G224 VanDerWaalsContact OD1-N 3.14Å
223L98.3Very high95.6Very high37 Ų3757 Ų5719%0.19430%0.295CS..EExtended strand (participates in β ladder)trans-86.61.3-178-66.9160.1000113.2A181 L182 F183 I221 I226 E239 A240A181-L223 HydrophobicContact CB-CD1 4.44Å; L182-L223 PolarHBondContact O-N 2.88Å; F183-L223 HydrophobicContact CB-CB 4.11Å; F183-L223 HydrophobicContact CD1-CD1 4.41Å; I221-L223 PolarHBondContact O-N 2.98Å; L223-I226 HydrophobicContact CB-CD1 4.38Å; L223-E239 HydrophobicContact CD2-CG 4.05Å; L223-E239 WeakPolarHBondContact CD2-OE1 3.21Å; L223-A240 HydrophobicContact CD1-CB 3.67Å
224G97.3Very high95.4Very high18 Ų1862.5 Ų62.519%0.18632%0.316CS..EExtended strand (participates in β ladder)trans84-156.3175.700000114.5F183 S184 R206 N222F183-G224 WeakPolarHBondContact CA-O 3.3Å; S184-G224 PolarHBondContact N-O 2.74Å; S184-G224 VanDerWaalsContact N-O 3.14Å; R206-G224 VanDerWaalsContact CD-O 3.31Å; R206-G224 WeakPolarHBondContact CD-O 3.49Å; R206-G224 PolarHBondContact NE-O 3.46Å; N222-G224 VanDerWaalsContact C-N 3.31Å; N222-G224 PolarHBondContact OD1-N 3.46Å; N222-G224 VanDerWaalsContact OD1-N 3.14Å
225I96.5Very high95.3Very high48 Ų4860.1 Ų60.125%0.24631%0.314CS..EExtended strand (participates in β ladder)trans-90.3116.7170.9-55.1176.7000106.6L189 L191 D203L189-I225 HydrophobicContact CB-CD1 4.02Å; L189-I225 HydrophobicContact CB-CG2 4.14Å; L189-I225 HydrophobicContact CD1-CG2 4.48Å; L191-I225 HydrophobicContact CD2-CD1 3.71Å; L191-I225 HydrophobicContact CD2-CG1 4.11Å; L191-I225 HydrophobicContact CG-CD1 3.92Å; D203-I225 HydrophobicContact CB-CD1 3.96Å; D203-I225 HydrophobicContact CB-CG1 4.38Å
226I95.2Very high95.3Very high21 Ų2154.1 Ų54.111%0.10829%0.287CS..EExtended strand (participates in β ladder)trans-83.2136.2171.8-50.1-54.7000107.6F183 S184 T185 L223 A232 L233 A236F183-I226 HydrophobicContact CB-CD1 4.47Å; F183-I226 HydrophobicContact CB-CG1 3.94Å; F183-I226 HydrophobicContact CD2-CG1 3.79Å; F183-I226 HydrophobicContact CG-CG1 4.03Å; S184-I226 PolarHBondContact O-N 3.48Å; T185-I226 WeakPolarHBondContact CA-O 3.21Å; T185-I226 PolarHBondContact OG1-O 2.92Å; L223-I226 HydrophobicContact CB-CD1 4.38Å; I226-A232 HydrophobicContact CG2-CB 4Å; I226-L233 HydrophobicContact CB-CD2 4.31Å; I226-L233 HydrophobicContact CG2-CD2 3.97Å; I226-L233 HydrophobicContact CG2-CG 4.25Å; I226-A236 HydrophobicContact CD1-CB 3.68Å; I226-A236 HydrophobicContact CG1-CB 3.71Å; I226-A236 HydrophobicContact CG2-CB 4.03Å
227R90.1Very high95.2Very high185 Ų18551.7 Ų51.770%0.69827%0.274SS*.PPolyproline II helixtrans-64.2147176.2-174176.9-179.1-176.2-0.7109.9D229 A232R227-D229 HydrophobicContact CG-CB 4.35Å; R227-D229 PolarHBondContact O-N 3.02Å; R227-A232 HydrophobicContact CB-CB 4.49Å
228D85.6Confident95.2Very high67 Ų6754 Ų5436%0.35828%0.277SS..SBendtrans-73.364.7174.5-158.613.9000111.5D187D187-D228 WeakPolarHBondContact OD1-CB 3.37Å
229D89.5Confident95.2Very high55 Ų5558.3 Ų58.329%0.29430%0.296SS..  trans-132.2130.5179168.5-97.8000108.6R227 H231 A232 L233R227-D229 HydrophobicContact CG-CB 4.35Å; R227-D229 PolarHBondContact O-N 3.02Å; D229-H231 VanDerWaalsContact C-N 3.26Å; D229-H231 PolarHBondContact O-N 3.22Å; D229-H231 WeakPolarHBondContact OD1-CA 3.41Å; D229-H231 VanDerWaalsContact OD1-CB 3.28Å; D229-H231 WeakPolarHBondContact OD1-CB 3.37Å; D229-H231 PolarHBondContact OD1-N 3.19Å; D229-A232 HydrophobicContact CB-CB 4.01Å; D229-A232 PolarHBondContact O-N 2.92Å; D229-A232 PolarHBondContact OD1-N 2.99Å; D229-L233 PolarHBondContact O-N 2.85Å
230P90Very high95.2Very high43 Ų4354.3 Ų54.328%0.27928%0.278SS..Hα-helixtrans-58.6-34.5-176.6-26.634.1000114.1R234 Y260 I264P230-R234 VanDerWaalsContact O-CB 3.26Å; P230-R234 WeakPolarHBondContact O-CB 3.49Å; P230-R234 PolarHBondContact O-N 3.28Å; P230-Y260 HydrophobicContact CG-CD1 3.8Å; P230-Y260 HydrophobicContact CG-CD2 4.14Å; P230-Y260 HydrophobicContact CG-CE1 4.31Å; P230-Y260 HydrophobicContact CG-CG 3.7Å; P230-I264 HydrophobicContact CB-CD1 4.17Å; P230-I264 WeakPolarHBondContact O-CD1 3.46Å
231H93.5Very high95.1Very high149 Ų14953.7 Ų53.769%0.6927%0.273SS*.Hα-helixtrans-73.1-42.8179.5-62.5-72.6000111.3D229 R234 A235D229-H231 VanDerWaalsContact C-N 3.26Å; D229-H231 PolarHBondContact O-N 3.22Å; D229-H231 WeakPolarHBondContact OD1-CA 3.41Å; D229-H231 VanDerWaalsContact OD1-CB 3.28Å; D229-H231 WeakPolarHBondContact OD1-CB 3.37Å; D229-H231 PolarHBondContact OD1-N 3.19Å; H231-R234 PolarHBondContact O-N 3.29Å; H231-A235 WeakPolarHBondContact O-CB 3.26Å; H231-A235 PolarHBondContact O-N 3.43Å
232A94Very high95.1Very high32 Ų3256.6 Ų56.626%0.26430%0.296SS..Hα-helixtrans-61.4-46.1175.100000111.4I226 R227 D229 A235 A236I226-A232 HydrophobicContact CG2-CB 4Å; R227-A232 HydrophobicContact CB-CB 4.49Å; D229-A232 HydrophobicContact CB-CB 4.01Å; D229-A232 PolarHBondContact O-N 2.92Å; D229-A232 PolarHBondContact OD1-N 2.99Å; A232-A235 PolarHBondContact O-N 2.65Å; A232-A236 WeakPolarHBondContact O-CB 3.46Å; A232-A236 PolarHBondContact O-N 3.35Å
233L93.2Very high95.1Very high0 Ų055.8 Ų55.80%029%0.29CS..Hα-helixtrans-61.4-48176.3-82.4173000112.1F183 T185 I226 D229 A235 A236 F237 I264F183-L233 HydrophobicContact CE2-CD2 4.37Å; T185-L233 HydrophobicContact CG2-CD2 3.99Å; I226-L233 HydrophobicContact CB-CD2 4.31Å; I226-L233 HydrophobicContact CG2-CD2 3.97Å; I226-L233 HydrophobicContact CG2-CG 4.25Å; D229-L233 PolarHBondContact O-N 2.85Å; L233-A235 VanDerWaalsContact C-N 3.32Å; L233-A235 PolarHBondContact O-N 3.29Å; L233-A236 PolarHBondContact O-N 3.46Å; L233-F237 VanDerWaalsContact O-CD2 3.25Å; L233-F237 WeakPolarHBondContact O-CD2 3.3Å; L233-F237 PolarHBondContact O-N 3.26Å; L233-I264 HydrophobicContact CB-CD1 3.76Å; L233-I264 HydrophobicContact CD1-CD1 4.33Å
234R94.6Very high95.1Very high116 Ų11654.5 Ų54.544%0.43829%0.285SS..Hα-helixtrans-61-42.6178.4-170.6177.3-170-79.2-4.5111.7P230 H231 F237 I238 I264 L268P230-R234 VanDerWaalsContact O-CB 3.26Å; P230-R234 WeakPolarHBondContact O-CB 3.49Å; P230-R234 PolarHBondContact O-N 3.28Å; H231-R234 PolarHBondContact O-N 3.29Å; R234-F237 PolarHBondContact O-N 3.18Å; R234-I238 HydrophobicContact CG-CD1 4.2Å; R234-I238 WeakPolarHBondContact O-CG1 3.45Å; R234-I238 PolarHBondContact O-N 2.76Å; R234-I238 VanDerWaalsContact O-N 3.13Å; R234-I264 HydrophobicContact CB-CG2 4.35Å; R234-L268 HydrophobicContact CG-CD1 4.43Å
235A96.7Very high95.2Very high55 Ų5554.9 Ų54.946%0.45528%0.282SS..Hα-helixtrans-62.5-44.6176.200000111.6H231 A232 L233 F237 I238 E239H231-A235 WeakPolarHBondContact O-CB 3.26Å; H231-A235 PolarHBondContact O-N 3.43Å; A232-A235 PolarHBondContact O-N 2.65Å; L233-A235 VanDerWaalsContact C-N 3.32Å; L233-A235 PolarHBondContact O-N 3.29Å; A235-F237 PolarHBondContact O-N 2.92Å; A235-I238 PolarHBondContact O-N 3.4Å; A235-E239 WeakPolarHBondContact O-CB 3.47Å; A235-E239 PolarHBondContact O-N 2.97Å
236A96.7Very high95.3Very high4 Ų452.6 Ų52.63%0.03327%0.271CS..Hα-helixtrans-61.8-41.8178.400000112.4I226 A232 L233 E239 A240I226-A236 HydrophobicContact CD1-CB 3.68Å; I226-A236 HydrophobicContact CG1-CB 3.71Å; I226-A236 HydrophobicContact CG2-CB 4.03Å; A232-A236 WeakPolarHBondContact O-CB 3.46Å; A232-A236 PolarHBondContact O-N 3.35Å; L233-A236 PolarHBondContact O-N 3.46Å; A236-E239 PolarHBondContact O-N 3.32Å; A236-A240 WeakPolarHBondContact O-CB 3.48Å; A236-A240 PolarHBondContact O-N 3.37Å
237F96.7Very high95.5Very high2 Ų251.6 Ų51.61%0.00927%0.266CS..Hα-helixtrans-63.7-42.2175.2-84.4-69000112.7F183 L233 R234 A235 A240 D241 V247 I264 L265 L268 L289 F294F183-F237 HydrophobicContact CE1-CD1 4.29Å; F183-F237 HydrophobicContact CE1-CE1 4.15Å; F183-F237 HydrophobicContact CE2-CZ 4.41Å; F183-F237 HydrophobicContact CZ-CD1 4.07Å; F183-F237 HydrophobicContact CZ-CD2 4.43Å; F183-F237 AromaticContact CZ-CE1 3.64Å; F183-F237 HydrophobicContact CZ-CE1 3.64Å; F183-F237 HydrophobicContact CZ-CE2 4.03Å; F183-F237 HydrophobicContact CZ-CG 4.44Å; F183-F237 AromaticContact CZ-CZ 3.62Å; F183-F237 HydrophobicContact CZ-CZ 3.62Å; L233-F237 VanDerWaalsContact O-CD2 3.25Å; L233-F237 WeakPolarHBondContact O-CD2 3.3Å; L233-F237 PolarHBondContact O-N 3.26Å; R234-F237 PolarHBondContact O-N 3.18Å; A235-F237 PolarHBondContact O-N 2.92Å; F237-A240 PolarHBondContact O-N 3.41Å; F237-D241 VanDerWaalsContact O-CB 3.27Å; F237-D241 WeakPolarHBondContact O-CB 3.45Å; F237-D241 PolarHBondContact O-N 3.31Å; F237-V247 HydrophobicContact CD1-CG1 4.36Å; F237-V247 HydrophobicContact CE1-CG1 4.45Å; F237-I264 HydrophobicContact CD2-CG2 3.82Å; F237-I264 HydrophobicContact CE2-CG2 4.2Å; F237-L265 HydrophobicContact CD1-CD2 4.3Å; F237-L265 HydrophobicContact CE1-CD2 3.48Å; F237-L265 VanDerWaalsContact CE1-CD2 3.48Å; F237-L265 HydrophobicContact CE2-CD2 4.15Å; F237-L265 HydrophobicContact CE2-CG 4.42Å; F237-L265 HydrophobicContact CZ-CD2 3.39Å; F237-L265 HydrophobicContact CZ-CG 3.94Å; F237-L268 HydrophobicContact CB-CD1 3.41Å; F237-L268 VanDerWaalsContact CB-CD1 3.41Å; F237-L268 HydrophobicContact CD2-CD1 4.22Å; F237-L268 HydrophobicContact CG-CD1 3.96Å; F237-L289 HydrophobicContact CD1-CD1 4.27Å; F237-F294 AromaticContact CE1-CD2 3.87Å; F237-F294 HydrophobicContact CE1-CD2 3.87Å; F237-F294 AromaticContact CE1-CE2 3.62Å; F237-F294 HydrophobicContact CE1-CE2 3.62Å; F237-F294 HydrophobicContact CE1-CZ 4.3Å; F237-F294 HydrophobicContact CZ-CE2 4.07Å; F237-F294 HydrophobicContact CZ-CZ 4.37Å
238I97.4Very high95.9Very high82 Ų8242.8 Ų42.842%0.42123%0.232SC..Hα-helixtrans-63.7-46.4177.4-69.9167000110.5R234 A235 S242R234-I238 HydrophobicContact CG-CD1 4.2Å; R234-I238 WeakPolarHBondContact O-CG1 3.45Å; R234-I238 PolarHBondContact O-N 2.76Å; R234-I238 VanDerWaalsContact O-N 3.13Å; A235-I238 PolarHBondContact O-N 3.4Å; I238-S242 WeakPolarHBondContact O-CB 3.46Å; I238-S242 PolarHBondContact O-N 2.93Å; I238-S242 VanDerWaalsContact O-N 3.11Å
239E98.5Very high96.4Very high103 Ų10339.6 Ų39.648%0.48122%0.215SC..Hα-helixtrans-60.1-50.7177.1-177.2174.4173.100110.5L223 A235 A236 D241 S242 Q243L223-E239 HydrophobicContact CD2-CG 4.05Å; L223-E239 WeakPolarHBondContact CD2-OE1 3.21Å; A235-E239 WeakPolarHBondContact O-CB 3.47Å; A235-E239 PolarHBondContact O-N 2.97Å; A236-E239 PolarHBondContact O-N 3.32Å; E239-D241 PolarHBondContact O-N 3.1Å; E239-S242 PolarHBondContact O-N 3.3Å; E239-S242 PolarHBondContact O-OG 3.07Å; E239-Q243 VanDerWaalsContact O-CG 3.26Å; E239-Q243 WeakPolarHBondContact O-CG 3.46Å
240A98.5Very high96.7Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-57.5-48.8178.800000113A181 L223 A236 F237 S242 Q243 A244 V247A181-A240 HydrophobicContact CB-CB 3.64Å; L223-A240 HydrophobicContact CD1-CB 3.67Å; A236-A240 WeakPolarHBondContact O-CB 3.48Å; A236-A240 PolarHBondContact O-N 3.37Å; F237-A240 PolarHBondContact O-N 3.41Å; A240-S242 VanDerWaalsContact C-N 3.29Å; A240-S242 PolarHBondContact O-N 3.27Å; A240-Q243 WeakPolarHBondContact O-CG 3.37Å; A240-Q243 PolarHBondContact O-N 2.88Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.37Å; A240-V247 HydrophobicContact CB-CB 4.41Å; A240-V247 HydrophobicContact CB-CG1 3.78Å; A240-V247 HydrophobicContact CB-CG2 3.7Å
241D98.5Very high96.5Very high16 Ų1635.1 Ų35.19%0.08619%0.19CC..Hα-helixtrans-65.5-32.4-178.6-17568.9000112.5F237 E239 Q243 L289 S290 N291 S292F237-D241 VanDerWaalsContact O-CB 3.27Å; F237-D241 WeakPolarHBondContact O-CB 3.45Å; F237-D241 PolarHBondContact O-N 3.31Å; E239-D241 PolarHBondContact O-N 3.1Å; D241-Q243 PolarHBondContact O-N 3.46Å; D241-L289 HydrophobicContact CB-CD1 4.41Å; D241-L289 WeakPolarHBondContact OD1-CB 3.28Å; D241-S290 WeakPolarHBondContact OD2-CB 3.43Å; D241-N291 PolarHBondContact OD1-N 3.06Å; D241-N291 PolarHBondContact OD2-N 3.26Å; D241-N291 PolarHBondContact OD2-ND2 3.46Å; D241-S292 VanDerWaalsContact OD1-CB 3.24Å; D241-S292 WeakPolarHBondContact OD1-CB 3.46Å; D241-S292 PolarHBondContact OD1-N 2.87Å; D241-S292 PolarHBondContact OD1-OG 3.5Å
242S98.4Very high95.6Very high89 Ų8929.1 Ų29.162%0.62217%0.169SC*.Hα-helixtrans-70.1-18.2-179.475.40000114.3I238 E239 A240I238-S242 WeakPolarHBondContact O-CB 3.46Å; I238-S242 PolarHBondContact O-N 2.93Å; I238-S242 VanDerWaalsContact O-N 3.11Å; E239-S242 PolarHBondContact O-N 3.3Å; E239-S242 PolarHBondContact O-OG 3.07Å; A240-S242 VanDerWaalsContact C-N 3.29Å; A240-S242 PolarHBondContact O-N 3.27Å
243Q98.4Very high94.3Very high50 Ų5028.2 Ų28.223%0.23416%0.16CC..Hα-helixtrans-125.7-1.1-168.966.8-174.2-16.300114.7R179 I221 E239 A240 D241R179-Q243 PolarHBondContact NE-O 2.88Å; R179-Q243 PolarHBondContact NH2-O 2.91Å; R179-Q243 VanDerWaalsContact NH2-O 3.08Å; I221-Q243 HydrophobicContact CD1-CB 4.28Å; I221-Q243 HydrophobicContact CD1-CG 3.89Å; I221-Q243 VanDerWaalsContact CD1-O 3.31Å; I221-Q243 WeakPolarHBondContact CD1-O 3.36Å; I221-Q243 HydrophobicContact CG2-CG 4.36Å; I221-Q243 VanDerWaalsContact CG2-NE2 3.29Å; E239-Q243 VanDerWaalsContact O-CG 3.26Å; E239-Q243 WeakPolarHBondContact O-CG 3.46Å; A240-Q243 WeakPolarHBondContact O-CG 3.37Å; A240-Q243 PolarHBondContact O-N 2.88Å; D241-Q243 PolarHBondContact O-N 3.46Å
244A98.8Very high92.7Very high10 Ų1030.8 Ų30.88%0.08318%0.178CC..  trans-136.1156.7-173.200000113.7R179 A181 I221 A240 V246 S292R179-A244 HydrophobicContact CB-CB 4.46Å; A181-A244 HydrophobicContact CB-CB 3.64Å; I221-A244 HydrophobicContact CD1-CB 4.4Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.37Å; A244-V246 WeakPolarHBondContact CB-O 3.28Å; A244-S292 VanDerWaalsContact O-CB 3.27Å; A244-S292 WeakPolarHBondContact O-CB 3.29Å
245D98.8Very high90.4Very high25 Ų2528.5 Ų28.513%0.13418%0.177CC..SBendtrans-83-28.5170.7-54.1-59.6000111.2R176 V178 R179 S292 W293R176-D245 IonicContact CZ-OD1 3.95Å; R176-D245 IonicContact CZ-OD2 3.23Å; R176-D245 IonicContact NH1-OD1 3.75Å; R176-D245 IonicContact NH1-OD2 3.81Å; R176-D245 PolarHBondContact NH1-OD2 3.39Å; R176-D245 IonicContact NH2-OD1 3.2Å; R176-D245 PolarHBondContact NH2-OD1 2.79Å; R176-D245 IonicContact NH2-OD2 2.77Å; R176-D245 PolarHBondContact NH2-OD2 2.8Å; V178-D245 HydrophobicContact CG1-CB 4.11Å; R179-D245 PolarHBondContact N-OD2 2.77Å; R179-D245 PolarHBondContact O-N 2.82Å; D245-S292 CarbonylContact O-C 3.59Å; D245-S292 WeakPolarHBondContact O-CA 3.45Å; D245-S292 WeakPolarHBondContact O-CB 3.48Å; D245-W293 PolarHBondContact O-N 3.45Å
246V98.9Very high88.1Confident0 Ų027.4 Ų27.40%017%0.171CC..EExtended strand (participates in β ladder)trans-135.3137179.2-173.80000109.7V178 R179 V180 A181 A244 I248 W293 L316 L319V178-V246 HydrophobicContact CG1-CG2 4.4Å; R179-V246 PolarHBondContact O-N 2.8Å; V180-V246 CarbonylContact C-O 3.57Å; V180-V246 VanDerWaalsContact CA-O 3.3Å; V180-V246 WeakPolarHBondContact CA-O 3.49Å; V180-V246 HydrophobicContact CG1-CB 4.23Å; V180-V246 HydrophobicContact CG1-CG1 4.42Å; V180-V246 HydrophobicContact CG2-CB 4.21Å; A181-V246 PolarHBondContact N-O 3.48Å; A244-V246 WeakPolarHBondContact CB-O 3.28Å; V246-I248 HydrophobicContact CG1-CD1 4.41Å; V246-I248 HydrophobicContact CG1-CG1 3.88Å; V246-W293 CarbonylContact C-O 3.53Å; V246-W293 VanDerWaalsContact CA-O 3.24Å; V246-W293 WeakPolarHBondContact CA-O 3.28Å; V246-W293 HydrophobicContact CG2-CB 4.44Å; V246-L316 HydrophobicContact CG2-CD2 3.96Å; V246-L319 HydrophobicContact CG2-CD1 3.35Å
247V98.7Very high85.4Confident0 Ų037.4 Ų37.40%022%0.217CC..EExtended strand (participates in β ladder)trans-112.8124.4170.81800000108.3A181 F183 F237 A240 L289 S292 W293 F294 C295A181-V247 HydrophobicContact CB-CG2 4.3Å; A181-V247 CarbonylContact O-C 3.57Å; A181-V247 WeakPolarHBondContact O-CA 3.47Å; F183-V247 HydrophobicContact CD1-CG1 4.37Å; F183-V247 HydrophobicContact CE1-CG1 3.66Å; F237-V247 HydrophobicContact CD1-CG1 4.36Å; F237-V247 HydrophobicContact CE1-CG1 4.45Å; A240-V247 HydrophobicContact CB-CB 4.41Å; A240-V247 HydrophobicContact CB-CG1 3.78Å; A240-V247 HydrophobicContact CB-CG2 3.7Å; V247-L289 HydrophobicContact CB-CD1 4Å; V247-L289 HydrophobicContact CG1-CD1 4.46Å; V247-L289 HydrophobicContact CG2-CD1 3.93Å; V247-S292 WeakPolarHBondContact CG2-OG 3.41Å; V247-W293 PolarHBondContact N-O 3.06Å; V247-F294 HydrophobicContact CB-CD2 4.3Å; V247-F294 HydrophobicContact CG1-CD2 4.17Å; V247-F294 CarbonylContact O-C 3.47Å; V247-F294 WeakPolarHBondContact O-CA 3.28Å; V247-F294 WeakPolarHBondContact O-CD2 3.44Å; V247-C295 PolarHBondContact O-N 3.26Å
248I98.6Very high83Confident0 Ų042 Ų420%026%0.255CS..EExtended strand (participates in β ladder)trans-116.2125.9179-56.3-178.1000109.6V180 A181 L182 F183 V209 L213 V246 C295 L297 F308 V312V180-I248 HydrophobicContact CG1-CD1 3.6Å; V180-I248 HydrophobicContact CG1-CG1 3.8Å; A181-I248 PolarHBondContact O-N 3.22Å; L182-I248 WeakPolarHBondContact CA-O 3.36Å; L182-I248 HydrophobicContact CD1-CB 3.95Å; L182-I248 HydrophobicContact CD1-CG2 3.95Å; F183-I248 PolarHBondContact N-O 2.89Å; F183-I248 VanDerWaalsContact N-O 3.12Å; V209-I248 HydrophobicContact CG1-CD1 4.29Å; V209-I248 HydrophobicContact CG1-CG2 4.23Å; L213-I248 HydrophobicContact CD1-CD1 4.33Å; L213-I248 HydrophobicContact CD2-CD1 4.22Å; V246-I248 HydrophobicContact CG1-CD1 4.41Å; V246-I248 HydrophobicContact CG1-CG1 3.88Å; I248-C295 WeakPolarHBondContact CA-O 3.41Å; I248-C295 HydrophobicContact CG1-CB 4.24Å; I248-L297 HydrophobicContact CG2-CD1 3.99Å; I248-L297 HydrophobicContact CG2-CG 4.15Å; I248-F308 HydrophobicContact CD1-CD2 4.33Å; I248-F308 HydrophobicContact CD1-CE2 3.91Å; I248-V312 HydrophobicContact CD1-CG1 3.75Å
249S96.5Very high81.5Confident0 Ų039.9 Ų39.90%024%0.244CC..EExtended strand (participates in β ladder)trans-91.9121.5158.7168.20000109.2F183 G251 V253 C295 L297F183-S249 WeakPolarHBondContact O-CA 3.37Å; S249-G251 VanDerWaalsContact C-N 3.26Å; S249-G251 PolarHBondContact O-N 2.97Å; S249-G251 PolarHBondContact OG-N 2.83Å; S249-G251 PolarHBondContact OG-O 3.06Å; S249-V253 WeakPolarHBondContact OG-CG2 3.3Å; S249-C295 PolarHBondContact N-O 2.87Å; S249-C295 VanDerWaalsContact N-O 3.07Å; S249-L297 WeakPolarHBondContact O-CB 3.13Å; S249-L297 PolarHBondContact O-N 2.82Å
250S95.2Very high80.6Confident0 Ų042.1 Ų42.10%025%0.249CC..  trans-80.4-6.9177.4600000113.9F183 S184 N205 R206F183-S250 PolarHBondContact O-N 2.92Å; F183-S250 PolarHBondContact O-OG 3.25Å; S184-S250 WeakPolarHBondContact CB-OG 3.49Å; N205-S250 WeakPolarHBondContact CB-O 3.42Å; N205-S250 PolarHBondContact ND2-O 3.33Å; R206-S250 WeakPolarHBondContact CA-OG 3.43Å; R206-S250 WeakPolarHBondContact CB-OG 3.49Å; R206-S250 PolarHBondContact N-OG 3.23Å
251G86.7Confident79.7Confident5 Ų542.1 Ų42.15%0.05225%0.249CC..SBendtrans168.4162.3-17800000111.4T185 S249 V253T185-G251 PolarHBondContact N-O 3.26Å; S249-G251 VanDerWaalsContact C-N 3.26Å; S249-G251 PolarHBondContact O-N 2.97Å; S249-G251 PolarHBondContact OG-N 2.83Å; S249-G251 PolarHBondContact OG-O 3.06Å; G251-V253 VanDerWaalsContact C-N 3.34Å; G251-V253 PolarHBondContact O-N 3.15Å
252G74.5Confident78.9Confident23 Ų2345 Ų4524%0.23726%0.261CS..  trans87.2-9.217800000115.6T185 S254T185-G252 VanDerWaalsContact O-CA 3.29Å; T185-G252 WeakPolarHBondContact O-CA 3.29Å; G252-S254 PolarHBondContact O-N 2.92Å
253V66.5Low78.3Confident13 Ų1344.3 Ų44.38%0.07925%0.253CS..  trans-94.789.4173.9178.30000109.1S249 G251 T261 L265 F294S249-V253 WeakPolarHBondContact OG-CG2 3.3Å; G251-V253 VanDerWaalsContact C-N 3.34Å; G251-V253 PolarHBondContact O-N 3.15Å; V253-T261 HydrophobicContact CB-CG2 3.9Å; V253-T261 HydrophobicContact CG1-CG2 3.7Å; V253-T261 HydrophobicContact CG2-CG2 3.52Å; V253-L265 HydrophobicContact CG1-CD1 3.45Å; V253-L265 VanDerWaalsContact CG1-CD1 3.45Å; V253-F294 HydrophobicContact CG1-CE1 4.37Å; V253-F294 HydrophobicContact CG1-CZ 4.04Å; V253-F294 HydrophobicContact CG2-CZ 4.29Å
254S58.4Low77.8Confident54 Ų5442.4 Ų42.438%0.37824%0.244SC..  trans-89.3156.7-174.6-165.90000114G252 G256 D259G252-S254 PolarHBondContact O-N 2.92Å; S254-G256 VanDerWaalsContact C-N 3.27Å; S254-G256 PolarHBondContact OG-N 3.09Å; S254-G256 VanDerWaalsContact OG-N 3.16Å; S254-D259 VanDerWaalsContact CB-OD2 3.29Å; S254-D259 WeakPolarHBondContact CB-OD2 3.33Å
255V47.5Very low77.4Confident67 Ų6741.9 Ų41.941%0.40624%0.241SC..  trans-88.611.3165.9-72.20000112.5F273 P283V255-F273 HydrophobicContact CG1-CB 3.75Å; V255-F273 HydrophobicContact CG1-CD1 3.39Å; V255-F273 HydrophobicContact CG1-CE1 4.28Å; V255-F273 HydrophobicContact CG1-CG 3.89Å; V255-P283 HydrophobicContact CG2-CB 3.95Å
256G47.7Very low76.9Confident32 Ų3246 Ų4633%0.3326%0.259SS..SBendtrans-85.4159.5-176.700000114.1S254 A258S254-G256 VanDerWaalsContact C-N 3.27Å; S254-G256 PolarHBondContact OG-N 3.09Å; S254-G256 VanDerWaalsContact OG-N 3.16Å; G256-A258 PolarHBondContact O-N 2.8Å
257E40.6Very low76.5Confident215 Ų21552 Ų52100%1.00529%0.287SS*.THydrogen-bonded Turntrans-67.91.5-167.8-73173.2153.700116.8
258A46.1Very low76.3Confident97 Ų9753.3 Ų53.380%0.80229%0.294SS*.THydrogen-bonded Turntrans-137.431.3-168.300000114.8G256G256-A258 PolarHBondContact O-N 2.8Å
259D66.9Low76.1Confident38 Ų3854.3 Ų54.320%0.20330%0.304CS..  trans-124.8107.8-166.2-145.6-29.8000111.7S254 T261 K262S254-D259 VanDerWaalsContact CB-OD2 3.29Å; S254-D259 WeakPolarHBondContact CB-OD2 3.33Å; D259-T261 PolarHBondContact O-N 2.84Å; D259-T261 WeakPolarHBondContact OD1-CB 3.46Å; D259-T261 PolarHBondContact OD1-OG1 2.89Å; D259-K262 PolarHBondContact O-N 2.96Å
260Y77.9Confident76Confident150 Ų15060.8 Ų60.859%0.58833%0.334SS*.Hα-helixtrans-47.7-29.8176.5-59.3-78.3000112.2P230 K262 T263 I264P230-Y260 HydrophobicContact CG-CD1 3.8Å; P230-Y260 HydrophobicContact CG-CD2 4.14Å; P230-Y260 HydrophobicContact CG-CE1 4.31Å; P230-Y260 HydrophobicContact CG-CG 3.7Å; Y260-K262 VanDerWaalsContact C-N 3.29Å; Y260-K262 PolarHBondContact O-N 2.8Å; Y260-T263 WeakPolarHBondContact O-CB 3.26Å; Y260-T263 PolarHBondContact O-N 3.01Å; Y260-I264 VanDerWaalsContact O-CG1 3.29Å; Y260-I264 WeakPolarHBondContact O-CG1 3.44Å; Y260-I264 PolarHBondContact O-N 2.69Å
261T79.3Confident75.9Confident0 Ų061.9 Ų61.90%034%0.34CS..Hα-helixtrans-53.9-40.2176.1-44.20000113.6V253 D259 I264 L265V253-T261 HydrophobicContact CB-CG2 3.9Å; V253-T261 HydrophobicContact CG1-CG2 3.7Å; V253-T261 HydrophobicContact CG2-CG2 3.52Å; D259-T261 PolarHBondContact O-N 2.84Å; D259-T261 WeakPolarHBondContact OD1-CB 3.46Å; D259-T261 PolarHBondContact OD1-OG1 2.89Å; T261-I264 PolarHBondContact O-N 3.16Å; T261-L265 WeakPolarHBondContact O-CB 3.16Å; T261-L265 WeakPolarHBondContact O-CG 3.26Å; T261-L265 PolarHBondContact O-N 3.3Å
262K83Confident76.2Confident78 Ų7863.2 Ų63.234%0.33935%0.35SS..Hα-helixtrans-66.7-45.6177.6-179.5177173.3-172.50111D259 Y260 I264 L265 E266 F273D259-K262 PolarHBondContact O-N 2.96Å; Y260-K262 VanDerWaalsContact C-N 3.29Å; Y260-K262 PolarHBondContact O-N 2.8Å; K262-I264 VanDerWaalsContact C-N 3.34Å; K262-I264 PolarHBondContact O-N 2.99Å; K262-L265 PolarHBondContact O-N 3.49Å; K262-E266 WeakPolarHBondContact CE-OE1 3.21Å; K262-E266 HydrophobicContact CG-CG 4.48Å; K262-E266 IonicContact NZ-OE1 2.9Å; K262-E266 WeakPolarHBondContact O-CG 3.45Å; K262-E266 PolarHBondContact O-N 2.79Å; K262-F273 HydrophobicContact CD-CE2 4.38Å; K262-F273 HydrophobicContact CG-CE2 3.99Å; K262-F273 HydrophobicContact CG-CZ 3.88Å
263T85.8Confident77Confident74 Ų7464.6 Ų64.645%0.45435%0.35SS..Hα-helixtrans-60.4-45.6176.6-55.40000110.8Y260 L265 E266 E267Y260-T263 WeakPolarHBondContact O-CB 3.26Å; Y260-T263 PolarHBondContact O-N 3.01Å; T263-L265 VanDerWaalsContact C-N 3.33Å; T263-L265 PolarHBondContact O-N 3.48Å; T263-E266 PolarHBondContact O-N 2.97Å; T263-E267 WeakPolarHBondContact O-CB 3.38Å; T263-E267 VanDerWaalsContact O-CG 3.31Å; T263-E267 WeakPolarHBondContact O-CG 3.49Å; T263-E267 PolarHBondContact O-N 3.48Å
264I88.6Confident78.2Confident9 Ų964.9 Ų64.95%0.04635%0.35CS..Hα-helixtrans-60.7-42.9176.8-66.9164.7000111P230 L233 R234 F237 Y260 T261 K262 E267 L268P230-I264 HydrophobicContact CB-CD1 4.17Å; P230-I264 WeakPolarHBondContact O-CD1 3.46Å; L233-I264 HydrophobicContact CB-CD1 3.76Å; L233-I264 HydrophobicContact CD1-CD1 4.33Å; R234-I264 HydrophobicContact CB-CG2 4.35Å; F237-I264 HydrophobicContact CD2-CG2 3.82Å; F237-I264 HydrophobicContact CE2-CG2 4.2Å; Y260-I264 VanDerWaalsContact O-CG1 3.29Å; Y260-I264 WeakPolarHBondContact O-CG1 3.44Å; Y260-I264 PolarHBondContact O-N 2.69Å; T261-I264 PolarHBondContact O-N 3.16Å; K262-I264 VanDerWaalsContact C-N 3.34Å; K262-I264 PolarHBondContact O-N 2.99Å; I264-E267 PolarHBondContact O-N 3.05Å; I264-L268 HydrophobicContact CG2-CD1 3.59Å; I264-L268 HydrophobicContact CG2-CG 4.22Å; I264-L268 WeakPolarHBondContact O-CB 3.23Å; I264-L268 VanDerWaalsContact O-CG 3.22Å; I264-L268 WeakPolarHBondContact O-CG 3.3Å; I264-L268 PolarHBondContact O-N 3.3Å
265L89.6Confident79.9Confident0 Ų068.4 Ų68.40%036%0.358CS..Hα-helixtrans-65.2-42.2177.4-82178.7000113.1F237 V253 T261 K262 T263 E267 L268 G269 I271 F273 L289 F294F237-L265 HydrophobicContact CD1-CD2 4.3Å; F237-L265 HydrophobicContact CE1-CD2 3.48Å; F237-L265 VanDerWaalsContact CE1-CD2 3.48Å; F237-L265 HydrophobicContact CE2-CD2 4.15Å; F237-L265 HydrophobicContact CE2-CG 4.42Å; F237-L265 HydrophobicContact CZ-CD2 3.39Å; F237-L265 HydrophobicContact CZ-CG 3.94Å; V253-L265 HydrophobicContact CG1-CD1 3.45Å; V253-L265 VanDerWaalsContact CG1-CD1 3.45Å; T261-L265 WeakPolarHBondContact O-CB 3.16Å; T261-L265 WeakPolarHBondContact O-CG 3.26Å; T261-L265 PolarHBondContact O-N 3.3Å; K262-L265 PolarHBondContact O-N 3.49Å; T263-L265 VanDerWaalsContact C-N 3.33Å; T263-L265 PolarHBondContact O-N 3.48Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 PolarHBondContact O-N 2.73Å; L265-L268 PolarHBondContact O-N 3.08Å; L265-G269 PolarHBondContact O-N 3.06Å; L265-I271 HydrophobicContact CB-CG1 4.06Å; L265-I271 HydrophobicContact CD1-CG2 4.46Å; L265-I271 HydrophobicContact CD2-CG1 4.15Å; L265-F273 HydrophobicContact CD1-CE1 4.3Å; L265-F273 HydrophobicContact CD1-CZ 4.11Å; L265-L289 HydrophobicContact CD2-CD2 4.48Å; L265-F294 HydrophobicContact CD1-CD1 4.29Å; L265-F294 HydrophobicContact CD1-CE1 3.56Å; L265-F294 HydrophobicContact CD1-CZ 3.96Å; L265-F294 HydrophobicContact CD2-CD1 3.95Å; L265-F294 HydrophobicContact CD2-CD2 4.39Å; L265-F294 HydrophobicContact CD2-CE1 3.84Å; L265-F294 HydrophobicContact CD2-CE2 4.32Å; L265-F294 HydrophobicContact CD2-CG 4.22Å; L265-F294 HydrophobicContact CD2-CZ 4.04Å; L265-F294 HydrophobicContact CG-CE1 4.38Å
266E87.5Confident82.3Confident110 Ų11065.2 Ų65.251%0.51434%0.339SS..Hα-helixtrans-67-29.1176.2-72.6175.9165.900112K262 T263K262-E266 WeakPolarHBondContact CE-OE1 3.21Å; K262-E266 HydrophobicContact CG-CG 4.48Å; K262-E266 IonicContact NZ-OE1 2.9Å; K262-E266 WeakPolarHBondContact O-CG 3.45Å; K262-E266 PolarHBondContact O-N 2.79Å; T263-E266 PolarHBondContact O-N 2.97Å
267E91.8Very high84.6Confident127 Ų12763.9 Ų63.959%0.59332%0.324SS*.Hα-helixtrans-76.2-36173.5-75.3176.9-170.300113.3T263 I264 L265T263-E267 WeakPolarHBondContact O-CB 3.38Å; T263-E267 VanDerWaalsContact O-CG 3.31Å; T263-E267 WeakPolarHBondContact O-CG 3.49Å; T263-E267 PolarHBondContact O-N 3.48Å; I264-E267 PolarHBondContact O-N 3.05Å; L265-E267 VanDerWaalsContact C-N 3.28Å; L265-E267 PolarHBondContact O-N 2.73Å
268L93.6Very high87.4Confident28 Ų2853.6 Ų53.615%0.14728%0.276CS..Hα-helixtrans-92.4-12.9-173.5-66.7-180000113.9R234 F237 I264 L265 L289R234-L268 HydrophobicContact CG-CD1 4.43Å; F237-L268 HydrophobicContact CB-CD1 3.41Å; F237-L268 VanDerWaalsContact CB-CD1 3.41Å; F237-L268 HydrophobicContact CD2-CD1 4.22Å; F237-L268 HydrophobicContact CG-CD1 3.96Å; I264-L268 HydrophobicContact CG2-CD1 3.59Å; I264-L268 HydrophobicContact CG2-CG 4.22Å; I264-L268 WeakPolarHBondContact O-CB 3.23Å; I264-L268 VanDerWaalsContact O-CG 3.22Å; I264-L268 WeakPolarHBondContact O-CG 3.3Å; I264-L268 PolarHBondContact O-N 3.3Å; L265-L268 PolarHBondContact O-N 3.08Å; L268-L289 HydrophobicContact CB-CD2 4.25Å
269G93.9Very high89.8Confident20 Ų2051.7 Ų51.721%0.20625%0.25CS..EExtended strand (participates in β ladder)trans-175.8-175.6-179.100000115.6L265 K288L265-G269 PolarHBondContact O-N 3.06Å; G269-K288 CarbonylContact C-O 3.57Å; G269-K288 VanDerWaalsContact CA-O 3.27Å; G269-K288 WeakPolarHBondContact CA-O 3.17Å
270E95.2Very high91.2Very high137 Ų13750.2 Ų50.264%0.6424%0.243SC*.EExtended strand (participates in β ladder)trans-98.592.2178.5-67.1179.9-177.700109.9R20 G287 K288R20-E270 IonicContact NH2-OE2 3.69Å; E270-G287 WeakPolarHBondContact O-CA 3.23Å; E270-K288 PolarHBondContact N-O 3.26Å; E270-K288 PolarHBondContact O-N 3.3Å
271I93.4Very high91.9Very high23 Ų2343.6 Ų43.612%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-109.6125.4-174.3-48.8-55.1000111.7L265 F273 A285 L289 F294L265-I271 HydrophobicContact CB-CG1 4.06Å; L265-I271 HydrophobicContact CD1-CG2 4.46Å; L265-I271 HydrophobicContact CD2-CG1 4.15Å; I271-F273 HydrophobicContact CB-CE2 4.45Å; I271-F273 HydrophobicContact CG2-CE1 4.34Å; I271-F273 HydrophobicContact CG2-CE2 4.26Å; I271-F273 HydrophobicContact CG2-CZ 4.07Å; I271-A285 HydrophobicContact CG2-CB 4.13Å; I271-L289 HydrophobicContact CD1-CD2 4.32Å; I271-F294 HydrophobicContact CD1-CB 3.9Å; I271-F294 HydrophobicContact CD1-CD1 4Å; I271-F294 HydrophobicContact CD1-CG 4.32Å; I271-F294 HydrophobicContact CG1-CD1 4.44Å; I271-F294 HydrophobicContact CG2-CD1 4.05Å; I271-F294 HydrophobicContact CG2-CE1 4.41Å
272A92.6Very high92.6Very high33 Ų3348.2 Ų48.227%0.27324%0.239SC..EExtended strand (participates in β ladder)trans-94.5137.8171.200000110.7A285 F286A272-A285 WeakPolarHBondContact O-CA 3.31Å; A272-F286 PolarHBondContact N-O 3.07Å; A272-F286 PolarHBondContact O-N 3.27Å
273F90.7Very high93.1Very high51 Ų5146.2 Ų46.222%0.22423%0.234CC..EExtended strand (participates in β ladder)trans-110.596.4179.4-66.7-79.9000110.4V255 K262 L265 I271 A285V255-F273 HydrophobicContact CG1-CB 3.75Å; V255-F273 HydrophobicContact CG1-CD1 3.39Å; V255-F273 HydrophobicContact CG1-CE1 4.28Å; V255-F273 HydrophobicContact CG1-CG 3.89Å; K262-F273 HydrophobicContact CD-CE2 4.38Å; K262-F273 HydrophobicContact CG-CE2 3.99Å; K262-F273 HydrophobicContact CG-CZ 3.88Å; L265-F273 HydrophobicContact CD1-CE1 4.3Å; L265-F273 HydrophobicContact CD1-CZ 4.11Å; I271-F273 HydrophobicContact CB-CE2 4.45Å; I271-F273 HydrophobicContact CG2-CE1 4.34Å; I271-F273 HydrophobicContact CG2-CE2 4.26Å; I271-F273 HydrophobicContact CG2-CZ 4.07Å; F273-A285 HydrophobicContact CD1-CB 3.68Å; F273-A285 HydrophobicContact CE1-CB 3.78Å
274W92.8Very high93.5Very high20 Ų2042.8 Ų42.88%0.07621%0.213CC..EExtended strand (participates in β ladder)trans-86.6149.2-173.9-61.2-22.1000112.9M8 A13 E16 M17 L276 P283 F284 F286M8-W274 HydrophobicContact CE-CG 4.41Å; M8-W274 HydrophobicContact SD-CB 4.45Å; M8-W274 HydrophobicContact SD-CD2 3.88Å; M8-W274 HydrophobicContact SD-CE3 4.24Å; M8-W274 HydrophobicContact SD-CG 3.96Å; A13-W274 HydrophobicContact CB-CE3 3.77Å; A13-W274 HydrophobicContact CB-CZ3 3.76Å; E16-W274 HydrophobicContact CB-CH2 4.46Å; E16-W274 HydrophobicContact CG-CZ2 4.28Å; M17-W274 HydrophobicContact CG-CH2 3.36Å; M17-W274 HydrophobicContact CG-CZ3 3.43Å; M17-W274 VanDerWaalsContact CG-CZ3 3.43Å; M17-W274 HydrophobicContact SD-CH2 4.32Å; M17-W274 HydrophobicContact SD-CZ3 3.77Å; W274-L276 HydrophobicContact CB-CD2 4.29Å; W274-L276 HydrophobicContact CB-CG 4.49Å; W274-L276 HydrophobicContact CE3-CD2 4.41Å; W274-P283 WeakPolarHBondContact O-CA 3.26Å; W274-F284 AromaticContact CE3-CD1 3.73Å; W274-F284 HydrophobicContact CE3-CD1 3.73Å; W274-F284 HydrophobicContact CE3-CE1 4.24Å; W274-F284 HydrophobicContact CZ3-CD1 4.04Å; W274-F284 HydrophobicContact CZ3-CE1 4.08Å; W274-F284 PolarHBondContact N-O 3.12Å; W274-F284 PolarHBondContact O-N 3.27Å; W274-F284 VanDerWaalsContact O-N 3.16Å; W274-F286 HydrophobicContact CH2-CB 4.1Å; W274-F286 AromaticContact CH2-CD1 3.58Å; W274-F286 HydrophobicContact CH2-CD1 3.58Å; W274-F286 HydrophobicContact CH2-CE1 4.37Å; W274-F286 HydrophobicContact CH2-CG 4.1Å; W274-F286 HydrophobicContact CZ2-CB 4.46Å; W274-F286 AromaticContact CZ2-CD1 3.97Å; W274-F286 HydrophobicContact CZ2-CD1 3.97Å; W274-F286 HydrophobicContact CZ3-CB 4.13Å; W274-F286 HydrophobicContact CZ3-CD1 4.33Å; W274-F286 HydrophobicContact CZ3-CG 4.43Å
275K94.5Very high93.8Very high128 Ų12842.5 Ų42.556%0.55721%0.213SC*.EExtended strand (participates in β ladder)trans-117.197168.4-64.1178.5-177.8172.70108.3L7 M8 K282L7-K275 CarbonylContact C-O 3.56Å; L7-K275 WeakPolarHBondContact CA-O 3.34Å; L7-K275 HydrophobicContact CD2-CB 3.73Å; L7-K275 WeakPolarHBondContact CD2-O 3.47Å; M8-K275 PolarHBondContact N-O 2.89Å; K275-K282 CarbonylContact C-O 3.55Å; K275-K282 WeakPolarHBondContact CA-O 3.18Å; K275-K282 HydrophobicContact CB-CG 4.34Å
276L96.4Very high94.1Very high0 Ų042.6 Ų42.60%021%0.213CC..BIsolated β-bridgetrans-80.4142.9-174.7-58.6171.2000112.1M8 A13 W274 I278 K282 F284 L311M8-L276 HydrophobicContact CB-CD2 4.43Å; M8-L276 HydrophobicContact CG-CD2 4.5Å; M8-L276 CarbonylContact O-C 3.28Å; M8-L276 WeakPolarHBondContact O-CA 3.45Å; M8-L276 HydrophobicContact SD-CD2 4.41Å; A13-L276 HydrophobicContact CB-CD2 3.41Å; A13-L276 VanDerWaalsContact CB-CD2 3.41Å; W274-L276 HydrophobicContact CB-CD2 4.29Å; W274-L276 HydrophobicContact CB-CG 4.49Å; W274-L276 HydrophobicContact CE3-CD2 4.41Å; L276-I278 HydrophobicContact CB-CD1 4.22Å; L276-I278 HydrophobicContact CB-CG1 3.87Å; L276-I278 HydrophobicContact CB-CG2 4.46Å; L276-I278 HydrophobicContact CD1-CD1 3.93Å; L276-I278 HydrophobicContact CD1-CG1 4.5Å; L276-I278 PolarHBondContact O-N 2.96Å; L276-K282 WeakPolarHBondContact CB-O 3Å; L276-K282 PolarHBondContact N-O 2.84Å; L276-F284 HydrophobicContact CD1-CB 3.85Å; L276-L311 HydrophobicContact CD1-CD1 3.52Å
277A97.5Very high94.5Very high3 Ų337.4 Ų37.43%0.02519%0.189CC..SBendtrans-79.946.7173.700000111.8L7 M8 R345 L346L7-A277 HydrophobicContact CB-CB 3.87Å; L7-A277 HydrophobicContact CD1-CB 4.48Å; M8-A277 WeakPolarHBondContact O-CB 3.32Å; M8-A277 PolarHBondContact O-N 3.37Å; A277-R345 CarbonylContact O-C 3.58Å; A277-R345 VanDerWaalsContact O-CA 3.28Å; A277-R345 WeakPolarHBondContact O-CA 3.41Å; A277-L346 PolarHBondContact O-N 3.04Å
278I97.7Very high94.8Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-119.3160.8179.566.9176.5000112.2L10 L276 G281 L306 R345 L346 F348L10-I278 HydrophobicContact CB-CG2 3.87Å; L10-I278 HydrophobicContact CD1-CG2 4.23Å; L10-I278 HydrophobicContact CG-CG2 4.44Å; L276-I278 HydrophobicContact CB-CD1 4.22Å; L276-I278 HydrophobicContact CB-CG1 3.87Å; L276-I278 HydrophobicContact CB-CG2 4.46Å; L276-I278 HydrophobicContact CD1-CD1 3.93Å; L276-I278 HydrophobicContact CD1-CG1 4.5Å; L276-I278 PolarHBondContact O-N 2.96Å; I278-G281 VanDerWaalsContact O-O 3.14Å; I278-L306 HydrophobicContact CD1-CD1 3.95Å; I278-R345 WeakPolarHBondContact O-CD 3.19Å; I278-R345 PolarHBondContact O-NH1 2.75Å; I278-R345 VanDerWaalsContact O-NH1 3.08Å; I278-L346 CarbonylContact C-O 3.57Å; I278-L346 VanDerWaalsContact CA-O 3.29Å; I278-L346 WeakPolarHBondContact CA-O 3.37Å; I278-F348 HydrophobicContact CG2-CE2 4.25Å
279K98Very high95Very high57 Ų5733.1 Ų33.125%0.24817%0.167CC..EExtended strand (participates in β ladder)trans-145.1138172.2-177.3-178.7164.7-168.40108.9R345 L346 D347 F348K279-R345 HydrophobicContact CB-CB 4.33Å; K279-L346 PolarHBondContact N-O 3.46Å; K279-D347 HydrophobicContact CB-CB 4.28Å; K279-D347 WeakPolarHBondContact CD-OD1 3.35Å; K279-D347 WeakPolarHBondContact CD-OD2 3.44Å; K279-D347 VanDerWaalsContact CG-OD1 3.31Å; K279-D347 WeakPolarHBondContact CG-OD1 3.28Å; K279-D347 IonicContact NZ-OD2 3.26Å; K279-D347 PolarHBondContact NZ-OD2 2.93Å; K279-D347 CarbonylContact O-C 3.57Å; K279-D347 WeakPolarHBondContact O-CA 3.5Å; K279-F348 PolarHBondContact O-N 3.32Å
280P96.5Very high95.2Very high7 Ų736.7 Ų36.75%0.04519%0.189CC..SBendcis-59.5171-16.427.7-32.1000112V302 L306P280-V302 HydrophobicContact CB-CG1 4.13Å; P280-V302 HydrophobicContact CG-CG1 3.55Å; P280-L306 HydrophobicContact CG-CB 4.35Å; P280-L306 HydrophobicContact CG-CG 4.41Å
281G91.8Very high95.3Very high10 Ų1035.7 Ų35.710%0.10319%0.188CC..  trans90.9-178.7-171.200000114.4I278 S303 R345I278-G281 VanDerWaalsContact O-O 3.14Å; G281-S303 PolarHBondContact N-OG 2.94Å; G281-S303 VanDerWaalsContact N-OG 3.12Å; G281-R345 PolarHBondContact O-NH1 3.3Å
282K93.7Very high95.5Very high97 Ų9734.6 Ų34.642%0.42218%0.182SC..  trans173.7-56.1172.9171.5-178.772.6170.70109.6L7 K275 L276L7-K282 HydrophobicContact CD2-CD 4.24Å; L7-K282 HydrophobicContact CD2-CG 4.31Å; K275-K282 CarbonylContact C-O 3.55Å; K275-K282 WeakPolarHBondContact CA-O 3.18Å; K275-K282 HydrophobicContact CB-CG 4.34Å; L276-K282 WeakPolarHBondContact CB-O 3Å; L276-K282 PolarHBondContact N-O 2.84Å
283P93.7Very high95.8Very high36 Ų3634.3 Ų34.323%0.23417%0.174CC..EExtended strand (participates in β ladder)trans-80141.5179.832-31000110.7V255 W274 P298V255-P283 HydrophobicContact CG2-CB 3.95Å; W274-P283 WeakPolarHBondContact O-CA 3.26Å; P283-P298 HydrophobicContact CG-CB 4.09Å
284F94.9Very high96.2Very high2 Ų231.9 Ų31.91%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-150.6132.7170.3177.5-120000108.3M17 W274 L276 F286 C295 G296 L297 T307 L311 V312M17-F284 HydrophobicContact CE-CE1 3.85Å; M17-F284 HydrophobicContact CE-CZ 3.93Å; M17-F284 HydrophobicContact SD-CE1 3.63Å; M17-F284 HydrophobicContact SD-CZ 4.3Å; W274-F284 AromaticContact CE3-CD1 3.73Å; W274-F284 HydrophobicContact CE3-CD1 3.73Å; W274-F284 HydrophobicContact CE3-CE1 4.24Å; W274-F284 HydrophobicContact CZ3-CD1 4.04Å; W274-F284 HydrophobicContact CZ3-CE1 4.08Å; W274-F284 PolarHBondContact N-O 3.12Å; W274-F284 PolarHBondContact O-N 3.27Å; W274-F284 VanDerWaalsContact O-N 3.16Å; L276-F284 HydrophobicContact CD1-CB 3.85Å; F284-F286 HydrophobicContact CD1-CB 4.16Å; F284-F286 HydrophobicContact CE1-CB 3.59Å; F284-F286 HydrophobicContact CE1-CD2 4.42Å; F284-F286 HydrophobicContact CE1-CG 4.26Å; F284-F286 HydrophobicContact CZ-CB 4.14Å; F284-F286 HydrophobicContact CZ-CD2 4.47Å; F284-C295 HydrophobicContact CE2-CB 4.01Å; F284-C295 HydrophobicContact CZ-CB 4.05Å; F284-G296 VanDerWaalsContact CD2-O 3.27Å; F284-G296 WeakPolarHBondContact CD2-O 3.42Å; F284-L297 HydrophobicContact CD2-CD2 4.29Å; F284-L297 HydrophobicContact CE2-CD2 4.03Å; F284-T307 HydrophobicContact CB-CG2 4.12Å; F284-T307 HydrophobicContact CD2-CG2 3.51Å; F284-T307 HydrophobicContact CE2-CG2 4.14Å; F284-T307 HydrophobicContact CG-CG2 3.94Å; F284-L311 HydrophobicContact CD1-CD1 3.69Å; F284-L311 HydrophobicContact CE1-CB 4.49Å; F284-L311 HydrophobicContact CE1-CD1 3.92Å; F284-L311 HydrophobicContact CG-CD1 4.07Å; F284-V312 HydrophobicContact CE2-CG2 4.22Å; F284-V312 HydrophobicContact CZ-CG2 4.28Å
285A94.2Very high96.4Very high4 Ų430.9 Ų30.93%0.03316%0.16CC..EExtended strand (participates in β ladder)trans-103.1132174.400000109.3I271 A272 F273 F294 C295 G296I271-A285 HydrophobicContact CG2-CB 4.13Å; A272-A285 WeakPolarHBondContact O-CA 3.31Å; F273-A285 HydrophobicContact CD1-CB 3.68Å; F273-A285 HydrophobicContact CE1-CB 3.78Å; A285-F294 HydrophobicContact CB-CE1 3.93Å; A285-C295 CarbonylContact O-C 3.5Å; A285-C295 WeakPolarHBondContact O-CA 3Å; A285-G296 PolarHBondContact N-O 3.41Å; A285-G296 PolarHBondContact O-N 2.76Å
286F96.3Very high96.5Very high2 Ų225 Ų251%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-143.8139.4179.4176-104.7000110.9M17 A272 W274 F284 W293 F294 L315M17-F286 HydrophobicContact CB-CE1 4.11Å; M17-F286 HydrophobicContact CB-CZ 4.07Å; M17-F286 HydrophobicContact CE-CD2 3.84Å; M17-F286 HydrophobicContact CE-CE2 3.92Å; M17-F286 HydrophobicContact CE-CG 4.42Å; M17-F286 HydrophobicContact CG-CD1 3.82Å; M17-F286 HydrophobicContact CG-CD2 4.21Å; M17-F286 HydrophobicContact CG-CE1 3.84Å; M17-F286 HydrophobicContact CG-CE2 4.23Å; M17-F286 HydrophobicContact CG-CG 4.01Å; M17-F286 HydrophobicContact CG-CZ 4.05Å; A272-F286 PolarHBondContact N-O 3.07Å; A272-F286 PolarHBondContact O-N 3.27Å; W274-F286 HydrophobicContact CH2-CB 4.1Å; W274-F286 AromaticContact CH2-CD1 3.58Å; W274-F286 HydrophobicContact CH2-CD1 3.58Å; W274-F286 HydrophobicContact CH2-CE1 4.37Å; W274-F286 HydrophobicContact CH2-CG 4.1Å; W274-F286 HydrophobicContact CZ2-CB 4.46Å; W274-F286 AromaticContact CZ2-CD1 3.97Å; W274-F286 HydrophobicContact CZ2-CD1 3.97Å; W274-F286 HydrophobicContact CZ3-CB 4.13Å; W274-F286 HydrophobicContact CZ3-CD1 4.33Å; W274-F286 HydrophobicContact CZ3-CG 4.43Å; F284-F286 HydrophobicContact CD1-CB 4.16Å; F284-F286 HydrophobicContact CE1-CB 3.59Å; F284-F286 HydrophobicContact CE1-CD2 4.42Å; F284-F286 HydrophobicContact CE1-CG 4.26Å; F284-F286 HydrophobicContact CZ-CB 4.14Å; F284-F286 HydrophobicContact CZ-CD2 4.47Å; F286-W293 HydrophobicContact CE1-CE3 4.4Å; F286-W293 HydrophobicContact CE1-CZ3 4.41Å; F286-W293 HydrophobicContact CE2-CE3 4.14Å; F286-W293 HydrophobicContact CZ-CD2 4.41Å; F286-W293 AromaticContact CZ-CE3 3.7Å; F286-W293 HydrophobicContact CZ-CE3 3.7Å; F286-W293 HydrophobicContact CZ-CZ3 4.05Å; F286-F294 WeakPolarHBondContact CA-O 3.25Å; F286-F294 WeakPolarHBondContact CD2-O 3.44Å; F286-L315 HydrophobicContact CE2-CD1 4.48Å; F286-L315 HydrophobicContact CE2-CD2 4.02Å
287G96.2Very high96.5Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans177-170.9177.500000114.4E270 F294E270-G287 WeakPolarHBondContact O-CA 3.23Å; G287-F294 PolarHBondContact N-O 3.22Å; G287-F294 PolarHBondContact O-N 2.64Å
288K98.1Very high96.3Very high59 Ų5925.6 Ų25.626%0.25714%0.139SC..EExtended strand (participates in β ladder)trans-108.2122.1-176.8-170.564.3-164.3155.80109.3G269 E270 N291 S292 W293G269-K288 CarbonylContact C-O 3.57Å; G269-K288 VanDerWaalsContact CA-O 3.27Å; G269-K288 WeakPolarHBondContact CA-O 3.17Å; E270-K288 PolarHBondContact N-O 3.26Å; E270-K288 PolarHBondContact O-N 3.3Å; K288-N291 VanDerWaalsContact NZ-C 3.32Å; K288-N291 PolarHBondContact NZ-O 2.77Å; K288-S292 WeakPolarHBondContact CD-O 3.24Å; K288-S292 WeakPolarHBondContact CE-O 3.27Å; K288-S292 VanDerWaalsContact NZ-C 3.31Å; K288-S292 PolarHBondContact NZ-O 2.98Å; K288-W293 HydrophobicContact CB-CE3 4.21Å; K288-W293 HydrophobicContact CB-CH2 4.49Å; K288-W293 HydrophobicContact CB-CZ3 3.87Å; K288-W293 HydrophobicContact CD-CD2 3.94Å; K288-W293 HydrophobicContact CD-CE3 3.84Å; K288-W293 HydrophobicContact CD-CH2 3.86Å; K288-W293 HydrophobicContact CD-CZ2 3.98Å; K288-W293 HydrophobicContact CD-CZ3 3.8Å; K288-W293 HydrophobicContact CG-CZ3 4.31Å
289L97.4Very high96Very high7 Ų728 Ų284%0.03716%0.163CC..EExtended strand (participates in β ladder)trans-85.6-177.4164.8-65175.5000108.9F237 D241 V247 L265 L268 I271 N291 S292 F294F237-L289 HydrophobicContact CD1-CD1 4.27Å; D241-L289 HydrophobicContact CB-CD1 4.41Å; D241-L289 WeakPolarHBondContact OD1-CB 3.28Å; V247-L289 HydrophobicContact CB-CD1 4Å; V247-L289 HydrophobicContact CG1-CD1 4.46Å; V247-L289 HydrophobicContact CG2-CD1 3.93Å; L265-L289 HydrophobicContact CD2-CD2 4.48Å; L268-L289 HydrophobicContact CB-CD2 4.25Å; I271-L289 HydrophobicContact CD1-CD2 4.32Å; L289-N291 VanDerWaalsContact C-N 3.29Å; L289-N291 PolarHBondContact O-N 3.48Å; L289-S292 WeakPolarHBondContact CD1-OG 3.33Å; L289-S292 PolarHBondContact N-O 3.49Å; L289-F294 HydrophobicContact CD1-CB 4.04Å; L289-F294 HydrophobicContact CD2-CB 4.48Å; L289-F294 HydrophobicContact CG-CB 3.94Å
290S97.1Very high95.8Very high95 Ų9527.6 Ų27.666%0.66416%0.164SC*.SBendtrans-54.6-43.9-177.9-66.90000112.6D241D241-S290 WeakPolarHBondContact OD2-CB 3.43Å
291N97.6Very high95.8Very high115 Ų11529.2 Ų29.262%0.61517%0.174SC*.SBendtrans-122-25.8-178-56.7-73.5000113.5D241 K288 L289D241-N291 PolarHBondContact OD1-N 3.06Å; D241-N291 PolarHBondContact OD2-N 3.26Å; D241-N291 PolarHBondContact OD2-ND2 3.46Å; K288-N291 VanDerWaalsContact NZ-C 3.32Å; K288-N291 PolarHBondContact NZ-O 2.77Å; L289-N291 VanDerWaalsContact C-N 3.29Å; L289-N291 PolarHBondContact O-N 3.48Å
292S98.6Very high96.1Very high0 Ų028.8 Ų28.80%017%0.169CC..SBendtrans-114.4172.4-171.368.50000113.4D241 A244 D245 V247 K288 L289D241-S292 VanDerWaalsContact OD1-CB 3.24Å; D241-S292 WeakPolarHBondContact OD1-CB 3.46Å; D241-S292 PolarHBondContact OD1-N 2.87Å; D241-S292 PolarHBondContact OD1-OG 3.5Å; A244-S292 VanDerWaalsContact O-CB 3.27Å; A244-S292 WeakPolarHBondContact O-CB 3.29Å; D245-S292 CarbonylContact O-C 3.59Å; D245-S292 WeakPolarHBondContact O-CA 3.45Å; D245-S292 WeakPolarHBondContact O-CB 3.48Å; V247-S292 WeakPolarHBondContact CG2-OG 3.41Å; K288-S292 WeakPolarHBondContact CD-O 3.24Å; K288-S292 WeakPolarHBondContact CE-O 3.27Å; K288-S292 VanDerWaalsContact NZ-C 3.31Å; K288-S292 PolarHBondContact NZ-O 2.98Å; L289-S292 WeakPolarHBondContact CD1-OG 3.33Å; L289-S292 PolarHBondContact N-O 3.49Å
293W98.7Very high96.2Very high27 Ų2724.6 Ų24.610%0.10215%0.152CC..EExtended strand (participates in β ladder)trans-93.7139.9166.5-66.9102.1000110.1R20 V21 D245 V246 V247 F286 K288R20-W293 HydrophobicContact CB-CH2 3.69Å; R20-W293 HydrophobicContact CB-CZ2 4.43Å; R20-W293 HydrophobicContact CB-CZ3 4.21Å; R20-W293 WeakPolarHBondContact O-CH2 3.35Å; R20-W293 VanDerWaalsContact O-CZ2 3.26Å; R20-W293 WeakPolarHBondContact O-CZ2 3.49Å; V21-W293 HydrophobicContact CG2-CD2 4.32Å; V21-W293 HydrophobicContact CG2-CZ2 4.08Å; D245-W293 PolarHBondContact O-N 3.45Å; V246-W293 CarbonylContact C-O 3.53Å; V246-W293 VanDerWaalsContact CA-O 3.24Å; V246-W293 WeakPolarHBondContact CA-O 3.28Å; V246-W293 HydrophobicContact CG2-CB 4.44Å; V247-W293 PolarHBondContact N-O 3.06Å; F286-W293 HydrophobicContact CE1-CE3 4.4Å; F286-W293 HydrophobicContact CE1-CZ3 4.41Å; F286-W293 HydrophobicContact CE2-CE3 4.14Å; F286-W293 HydrophobicContact CZ-CD2 4.41Å; F286-W293 AromaticContact CZ-CE3 3.7Å; F286-W293 HydrophobicContact CZ-CE3 3.7Å; F286-W293 HydrophobicContact CZ-CZ3 4.05Å; K288-W293 HydrophobicContact CB-CE3 4.21Å; K288-W293 HydrophobicContact CB-CH2 4.49Å; K288-W293 HydrophobicContact CB-CZ3 3.87Å; K288-W293 HydrophobicContact CD-CD2 3.94Å; K288-W293 HydrophobicContact CD-CE3 3.84Å; K288-W293 HydrophobicContact CD-CH2 3.86Å; K288-W293 HydrophobicContact CD-CZ2 3.98Å; K288-W293 HydrophobicContact CD-CZ3 3.8Å; K288-W293 HydrophobicContact CG-CZ3 4.31Å
294F98Very high96.3Very high0 Ų022.9 Ų22.90%014%0.141CC..EExtended strand (participates in β ladder)trans-104137.1175.2177-109000111.7F237 V247 V253 L265 I271 A285 F286 G287 L289F237-F294 AromaticContact CE1-CD2 3.87Å; F237-F294 HydrophobicContact CE1-CD2 3.87Å; F237-F294 AromaticContact CE1-CE2 3.62Å; F237-F294 HydrophobicContact CE1-CE2 3.62Å; F237-F294 HydrophobicContact CE1-CZ 4.3Å; F237-F294 HydrophobicContact CZ-CE2 4.07Å; F237-F294 HydrophobicContact CZ-CZ 4.37Å; V247-F294 HydrophobicContact CB-CD2 4.3Å; V247-F294 HydrophobicContact CG1-CD2 4.17Å; V247-F294 CarbonylContact O-C 3.47Å; V247-F294 WeakPolarHBondContact O-CA 3.28Å; V247-F294 WeakPolarHBondContact O-CD2 3.44Å; V253-F294 HydrophobicContact CG1-CE1 4.37Å; V253-F294 HydrophobicContact CG1-CZ 4.04Å; V253-F294 HydrophobicContact CG2-CZ 4.29Å; L265-F294 HydrophobicContact CD1-CD1 4.29Å; L265-F294 HydrophobicContact CD1-CE1 3.56Å; L265-F294 HydrophobicContact CD1-CZ 3.96Å; L265-F294 HydrophobicContact CD2-CD1 3.95Å; L265-F294 HydrophobicContact CD2-CD2 4.39Å; L265-F294 HydrophobicContact CD2-CE1 3.84Å; L265-F294 HydrophobicContact CD2-CE2 4.32Å; L265-F294 HydrophobicContact CD2-CG 4.22Å; L265-F294 HydrophobicContact CD2-CZ 4.04Å; L265-F294 HydrophobicContact CG-CE1 4.38Å; I271-F294 HydrophobicContact CD1-CB 3.9Å; I271-F294 HydrophobicContact CD1-CD1 4Å; I271-F294 HydrophobicContact CD1-CG 4.32Å; I271-F294 HydrophobicContact CG1-CD1 4.44Å; I271-F294 HydrophobicContact CG2-CD1 4.05Å; I271-F294 HydrophobicContact CG2-CE1 4.41Å; A285-F294 HydrophobicContact CB-CE1 3.93Å; F286-F294 WeakPolarHBondContact CA-O 3.25Å; F286-F294 WeakPolarHBondContact CD2-O 3.44Å; G287-F294 PolarHBondContact N-O 3.22Å; G287-F294 PolarHBondContact O-N 2.64Å; L289-F294 HydrophobicContact CD1-CB 4.04Å; L289-F294 HydrophobicContact CD2-CB 4.48Å; L289-F294 HydrophobicContact CG-CB 3.94Å
295C97.9Very high96.5Very high0 Ų022.9 Ų22.90%014%0.141CC..EExtended strand (participates in β ladder)trans-129.4109.9170.1-670000109.9V247 I248 S249 F284 A285 V312 L315V247-C295 PolarHBondContact O-N 3.26Å; I248-C295 WeakPolarHBondContact CA-O 3.41Å; I248-C295 HydrophobicContact CG1-CB 4.24Å; S249-C295 PolarHBondContact N-O 2.87Å; S249-C295 VanDerWaalsContact N-O 3.07Å; F284-C295 HydrophobicContact CE2-CB 4.01Å; F284-C295 HydrophobicContact CZ-CB 4.05Å; A285-C295 CarbonylContact O-C 3.5Å; A285-C295 WeakPolarHBondContact O-CA 3Å; C295-V312 HydrophobicContact CB-CG2 4.02Å; C295-L315 VanDerWaalsContact SG-CD2 3.53Å
296G96.1Very high96.7Very high3 Ų322.7 Ų22.73%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-96.4113.5174.500000111.3F284 A285F284-G296 VanDerWaalsContact CD2-O 3.27Å; F284-G296 WeakPolarHBondContact CD2-O 3.42Å; A285-G296 PolarHBondContact N-O 3.41Å; A285-G296 PolarHBondContact O-N 2.76Å
297L96.2Very high96.7Very high2 Ų222.6 Ų22.61%0.0114%0.14CC..  trans-86.6150.8180-59.2-179.2000111.9V209 I248 S249 F284 A304 T307 F308 V312V209-L297 HydrophobicContact CG2-CD1 3.57Å; I248-L297 HydrophobicContact CG2-CD1 3.99Å; I248-L297 HydrophobicContact CG2-CG 4.15Å; S249-L297 WeakPolarHBondContact O-CB 3.13Å; S249-L297 PolarHBondContact O-N 2.82Å; F284-L297 HydrophobicContact CD2-CD2 4.29Å; F284-L297 HydrophobicContact CE2-CD2 4.03Å; L297-A304 HydrophobicContact CB-CB 4.19Å; L297-A304 HydrophobicContact CD1-CB 4.45Å; L297-T307 HydrophobicContact CD2-CG2 4.03Å; L297-F308 HydrophobicContact CD1-CB 4.07Å; L297-F308 HydrophobicContact CD1-CD2 4.34Å; L297-F308 HydrophobicContact CD2-CB 4.34Å; L297-V312 HydrophobicContact CD2-CG2 4.12Å
298P93.3Very high96.8Very high15 Ų1522.6 Ų22.610%0.09714%0.14CC..  trans-65.7143.7173.626.7-34.7000111.9P283 N300 A304P283-P298 HydrophobicContact CG-CB 4.09Å; P298-N300 VanDerWaalsContact C-N 3.27Å; P298-N300 PolarHBondContact O-N 3.37Å; P298-A304 VanDerWaalsContact O-CB 3.29Å; P298-A304 WeakPolarHBondContact O-CB 3.31Å
299G92.3Very high96.8Very high49 Ų4920 Ų2051%0.50513%0.128SC..SBendtrans-64.5-22.2-177.800000115.8N205N205-G299 PolarHBondContact ND2-O 2.89Å
300N93.9Very high96.8Very high50 Ų5019.8 Ų19.827%0.26713%0.127SC..SBendtrans-71.3128.3178.4171.2-93.2000111.5P298 V302 S303 A304 S371P298-N300 VanDerWaalsContact C-N 3.27Å; P298-N300 PolarHBondContact O-N 3.37Å; N300-V302 PolarHBondContact O-N 3.48Å; N300-V302 PolarHBondContact OD1-N 2.94Å; N300-S303 CarbonylContact O-C 3.59Å; N300-S303 WeakPolarHBondContact O-CA 3.4Å; N300-S303 WeakPolarHBondContact O-CB 3.49Å; N300-S303 PolarHBondContact O-N 3.4Å; N300-S303 WeakPolarHBondContact OD1-CB 3.43Å; N300-S303 PolarHBondContact OD1-N 3.45Å; N300-S303 PolarHBondContact OD1-OG 3Å; N300-A304 PolarHBondContact O-N 3.4Å; N300-S371 PolarHBondContact ND2-O 3.14Å; N300-S371 VanDerWaalsContact OD1-CB 3.26Å; N300-S371 WeakPolarHBondContact OD1-CB 3.48Å; N300-S371 PolarHBondContact OD1-O 3.13Å
301P95.5Very high96.8Very high40 Ų4015.3 Ų15.326%0.2610%0.096SC..Hα-helixtrans-58.8-44.3-169.9-27.934000116.3N205 S303 A304 T305 F374N205-P301 WeakPolarHBondContact OD1-CA 3.46Å; N205-P301 WeakPolarHBondContact OD1-CB 3.34Å; N205-P301 WeakPolarHBondContact OD1-CG 3.46Å; P301-S303 VanDerWaalsContact C-N 3.3Å; P301-S303 PolarHBondContact O-N 2.9Å; P301-A304 PolarHBondContact O-N 3.44Å; P301-T305 WeakPolarHBondContact O-CB 3.38Å; P301-T305 PolarHBondContact O-N 2.73Å; P301-T305 PolarHBondContact O-OG1 2.83Å; P301-F374 HydrophobicContact CB-CD2 4Å; P301-F374 HydrophobicContact CB-CE2 4.38Å
302V97.4Very high96.8Very high1 Ų19.9 Ų9.91%0.0067%0.066CC..Hα-helixtrans-67.2-38.7178.5-175.40000110.2P280 N300 L306 S371 I373 F374 F377P280-V302 HydrophobicContact CB-CG1 4.13Å; P280-V302 HydrophobicContact CG-CG1 3.55Å; N300-V302 PolarHBondContact O-N 3.48Å; N300-V302 PolarHBondContact OD1-N 2.94Å; V302-L306 WeakPolarHBondContact O-CB 3.28Å; V302-L306 PolarHBondContact O-N 2.98Å; V302-S371 WeakPolarHBondContact CG2-O 3.1Å; V302-I373 VanDerWaalsContact CG2-O 3.23Å; V302-I373 WeakPolarHBondContact CG2-O 3.09Å; V302-F374 HydrophobicContact CG2-CD2 4.18Å; V302-F377 HydrophobicContact CB-CE2 4.33Å; V302-F377 HydrophobicContact CG1-CE2 3.81Å; V302-F377 HydrophobicContact CG1-CZ 4.17Å; V302-F377 HydrophobicContact CG2-CE2 4.43Å
303S96.6Very high96.8Very high9 Ų911.4 Ų11.46%0.0637%0.074CC..Hα-helixtrans-67.2-44.2178-56.20000111.8G281 N300 P301 T307G281-S303 PolarHBondContact N-OG 2.94Å; G281-S303 VanDerWaalsContact N-OG 3.12Å; N300-S303 CarbonylContact O-C 3.59Å; N300-S303 WeakPolarHBondContact O-CA 3.4Å; N300-S303 WeakPolarHBondContact O-CB 3.49Å; N300-S303 PolarHBondContact O-N 3.4Å; N300-S303 WeakPolarHBondContact OD1-CB 3.43Å; N300-S303 PolarHBondContact OD1-N 3.45Å; N300-S303 PolarHBondContact OD1-OG 3Å; P301-S303 VanDerWaalsContact C-N 3.3Å; P301-S303 PolarHBondContact O-N 2.9Å; S303-T307 VanDerWaalsContact O-CB 3.24Å; S303-T307 WeakPolarHBondContact O-CB 3.4Å; S303-T307 PolarHBondContact O-N 3.2Å; S303-T307 PolarHBondContact O-OG1 3.39Å
304A96.6Very high96.8Very high0 Ų011.1 Ų11.10%08%0.075CC..Hα-helixtrans-59.7-50.417700000110.7N205 L297 P298 N300 P301 L306 T307 F308N205-A304 HydrophobicContact CB-CB 4.41Å; L297-A304 HydrophobicContact CB-CB 4.19Å; L297-A304 HydrophobicContact CD1-CB 4.45Å; P298-A304 VanDerWaalsContact O-CB 3.29Å; P298-A304 WeakPolarHBondContact O-CB 3.31Å; N300-A304 PolarHBondContact O-N 3.4Å; P301-A304 PolarHBondContact O-N 3.44Å; A304-L306 PolarHBondContact O-N 3.07Å; A304-T307 PolarHBondContact O-N 3.46Å; A304-F308 WeakPolarHBondContact O-CB 3.38Å; A304-F308 PolarHBondContact O-N 2.96Å
305T98.2Very high96.7Very high2 Ų211.1 Ų11.11%0.0128%0.075CC..Hα-helixtrans-61.7-47.2-177.7-60.20000111.5M212 P301 F308 Y309 F374 F377 F408M212-T305 HydrophobicContact CE-CG2 4.23Å; M212-T305 HydrophobicContact SD-CG2 4.36Å; P301-T305 WeakPolarHBondContact O-CB 3.38Å; P301-T305 PolarHBondContact O-N 2.73Å; P301-T305 PolarHBondContact O-OG1 2.83Å; T305-F308 PolarHBondContact O-N 2.84Å; T305-Y309 WeakPolarHBondContact O-CB 3.28Å; T305-Y309 PolarHBondContact O-N 2.89Å; T305-F374 HydrophobicContact CG2-CE2 4.32Å; T305-F374 HydrophobicContact CG2-CZ 4.13Å; T305-F374 VanDerWaalsContact OG1-CE2 3.32Å; T305-F374 WeakPolarHBondContact OG1-CE2 3.19Å; T305-F377 HydrophobicContact CG2-CE1 4.16Å; T305-F377 HydrophobicContact CG2-CE2 4.02Å; T305-F377 HydrophobicContact CG2-CZ 3.76Å; T305-F408 HydrophobicContact CG2-CE1 3.99Å; T305-F408 HydrophobicContact CG2-CZ 3.53Å
306L97.9Very high96.7Very high1 Ų111.4 Ų11.41%0.0058%0.077CC..Hα-helixtrans-63.9-44.4177.5-175.4-78.6000111.5I278 P280 V302 A304 F308 Y309 Q310 F348 F383I278-L306 HydrophobicContact CD1-CD1 3.95Å; P280-L306 HydrophobicContact CG-CB 4.35Å; P280-L306 HydrophobicContact CG-CG 4.41Å; V302-L306 WeakPolarHBondContact O-CB 3.28Å; V302-L306 PolarHBondContact O-N 2.98Å; A304-L306 PolarHBondContact O-N 3.07Å; L306-F308 PolarHBondContact O-N 2.81Å; L306-Y309 PolarHBondContact O-N 2.83Å; L306-Q310 HydrophobicContact CD1-CG 4.09Å; L306-Q310 HydrophobicContact CD2-CG 3.57Å; L306-Q310 HydrophobicContact CG-CG 4.46Å; L306-Q310 WeakPolarHBondContact O-CB 3.42Å; L306-Q310 WeakPolarHBondContact O-CG 3.32Å; L306-Q310 PolarHBondContact O-N 2.81Å; L306-F348 HydrophobicContact CD1-CD2 4.1Å; L306-F348 HydrophobicContact CD1-CG 4.39Å; L306-F348 HydrophobicContact CD2-CB 3.76Å; L306-F348 HydrophobicContact CD2-CD1 4.09Å; L306-F348 HydrophobicContact CD2-CD2 4.38Å; L306-F348 HydrophobicContact CD2-CG 3.84Å; L306-F348 HydrophobicContact CG-CB 4.14Å; L306-F348 HydrophobicContact CG-CG 4.36Å; L306-F383 HydrophobicContact CD2-CD1 4.47Å; L306-F383 HydrophobicContact CD2-CE1 3.81Å; L306-F383 HydrophobicContact CD2-CE2 4.31Å; L306-F383 HydrophobicContact CD2-CZ 3.72Å
307T97.5Very high96.8Very high0 Ų013.2 Ų13.20%09%0.091CC..Hα-helixtrans-63.3-42.9179.9-54.90000111F284 L297 S303 A304 L311F284-T307 HydrophobicContact CB-CG2 4.12Å; F284-T307 HydrophobicContact CD2-CG2 3.51Å; F284-T307 HydrophobicContact CE2-CG2 4.14Å; F284-T307 HydrophobicContact CG-CG2 3.94Å; L297-T307 HydrophobicContact CD2-CG2 4.03Å; S303-T307 VanDerWaalsContact O-CB 3.24Å; S303-T307 WeakPolarHBondContact O-CB 3.4Å; S303-T307 PolarHBondContact O-N 3.2Å; S303-T307 PolarHBondContact O-OG1 3.39Å; A304-T307 PolarHBondContact O-N 3.46Å; T307-L311 HydrophobicContact CG2-CD1 4.05Å; T307-L311 WeakPolarHBondContact O-CB 3.43Å; T307-L311 PolarHBondContact O-N 3.01Å
308F98.2Very high96.9Very high0 Ų016.3 Ų16.30%011%0.105CC..Iπ-helixtrans-58.1-52.4173177.8-83.1000111V209 M212 L213 L216 I248 L297 A304 T305 L306 Q310 V312 Q313 L316V209-F308 HydrophobicContact CG1-CD2 3.9Å; V209-F308 HydrophobicContact CG1-CE2 3.75Å; V209-F308 HydrophobicContact CG2-CD2 4.21Å; M212-F308 HydrophobicContact CB-CD1 4.13Å; M212-F308 HydrophobicContact CB-CE1 3.48Å; M212-F308 VanDerWaalsContact CB-CE1 3.48Å; M212-F308 HydrophobicContact CB-CZ 3.99Å; M212-F308 HydrophobicContact CE-CB 4.08Å; M212-F308 HydrophobicContact CE-CD1 3.37Å; M212-F308 HydrophobicContact CE-CE1 3.95Å; M212-F308 HydrophobicContact CE-CG 3.75Å; M212-F308 HydrophobicContact CG-CE1 4.3Å; M212-F308 HydrophobicContact SD-CD1 3.61Å; M212-F308 HydrophobicContact SD-CE1 3.94Å; L213-F308 HydrophobicContact CD2-CE2 3.83Å; L213-F308 HydrophobicContact CD2-CZ 3.77Å; L213-F308 HydrophobicContact CG-CE2 4.04Å; L213-F308 HydrophobicContact CG-CZ 3.98Å; L216-F308 HydrophobicContact CD1-CE1 3.89Å; L216-F308 HydrophobicContact CD1-CZ 3.95Å; I248-F308 HydrophobicContact CD1-CD2 4.33Å; I248-F308 HydrophobicContact CD1-CE2 3.91Å; L297-F308 HydrophobicContact CD1-CB 4.07Å; L297-F308 HydrophobicContact CD1-CD2 4.34Å; L297-F308 HydrophobicContact CD2-CB 4.34Å; A304-F308 WeakPolarHBondContact O-CB 3.38Å; A304-F308 PolarHBondContact O-N 2.96Å; T305-F308 PolarHBondContact O-N 2.84Å; L306-F308 PolarHBondContact O-N 2.81Å; F308-Q310 VanDerWaalsContact C-N 3.34Å; F308-Q310 PolarHBondContact O-N 3.12Å; F308-V312 HydrophobicContact CD2-CB 3.71Å; F308-V312 HydrophobicContact CD2-CG1 3.76Å; F308-V312 HydrophobicContact CD2-CG2 4.18Å; F308-V312 HydrophobicContact CE2-CB 4.03Å; F308-V312 HydrophobicContact CE2-CG1 3.62Å; F308-V312 HydrophobicContact CG-CB 4.14Å; F308-V312 HydrophobicContact CZ-CG1 4.36Å; F308-V312 CarbonylContact O-C 3.59Å; F308-V312 WeakPolarHBondContact O-CA 3.36Å; F308-V312 WeakPolarHBondContact O-CB 3.23Å; F308-V312 PolarHBondContact O-N 2.73Å; F308-Q313 PolarHBondContact O-N 3.48Å; F308-L316 HydrophobicContact CE2-CD1 4.48Å; F308-L316 HydrophobicContact CZ-CD1 4.2Å
309Y97.8Very high97.1Very high4 Ų415.9 Ų15.92%0.01610%0.101CC..Iπ-helixtrans-61.5-40.7-175.9-168.8-79.1000112.5T305 L306 Q313 P328 F383 N405 L407 F408T305-Y309 WeakPolarHBondContact O-CB 3.28Å; T305-Y309 PolarHBondContact O-N 2.89Å; L306-Y309 PolarHBondContact O-N 2.83Å; Y309-Q313 WeakPolarHBondContact O-CB 3.49Å; Y309-Q313 PolarHBondContact O-OE1 3.23Å; Y309-P328 HydrophobicContact CE1-CG 4.37Å; Y309-F383 AromaticContact CD1-CE2 3.96Å; Y309-F383 HydrophobicContact CD1-CE2 3.96Å; Y309-F383 AromaticContact CE1-CE2 3.85Å; Y309-F383 HydrophobicContact CE1-CE2 3.85Å; Y309-N405 WeakPolarHBondContact CE2-ND2 3.47Å; Y309-N405 WeakPolarHBondContact CE2-OD1 3.4Å; Y309-N405 PolarHBondContact OH-N 3.37Å; Y309-N405 PolarHBondContact OH-ND2 2.72Å; Y309-N405 PolarHBondContact OH-OD1 3.37Å; Y309-L407 HydrophobicContact CD2-CD1 3.94Å; Y309-L407 HydrophobicContact CE2-CB 4.41Å; Y309-L407 HydrophobicContact CE2-CD1 4.01Å; Y309-F408 HydrophobicContact CD2-CD2 4.32Å; Y309-F408 AromaticContact CD2-CE2 3.48Å; Y309-F408 HydrophobicContact CD2-CE2 3.48Å; Y309-F408 VanDerWaalsContact CD2-CE2 3.48Å; Y309-F408 HydrophobicContact CD2-CZ 4.21Å; Y309-F408 AromaticContact CE2-CD2 3.97Å; Y309-F408 HydrophobicContact CE2-CD2 3.97Å; Y309-F408 AromaticContact CE2-CE2 3.59Å; Y309-F408 HydrophobicContact CE2-CE2 3.59Å; Y309-F408 HydrophobicContact CG-CE2 4.41Å
310Q97.6Very high97.4Very high3 Ų314.7 Ų14.71%0.0149%0.085CC..Iπ-helixtrans-90.5-17.9-174.1-63.8-67.7-23.500113.9L10 L14 L306 F308 F348 E402L10-Q310 HydrophobicContact CD1-CB 4.4Å; L10-Q310 HydrophobicContact CD2-CB 4.4Å; L14-Q310 WeakPolarHBondContact CD1-O 3.49Å; L306-Q310 HydrophobicContact CD1-CG 4.09Å; L306-Q310 HydrophobicContact CD2-CG 3.57Å; L306-Q310 HydrophobicContact CG-CG 4.46Å; L306-Q310 WeakPolarHBondContact O-CB 3.42Å; L306-Q310 WeakPolarHBondContact O-CG 3.32Å; L306-Q310 PolarHBondContact O-N 2.81Å; F308-Q310 VanDerWaalsContact C-N 3.34Å; F308-Q310 PolarHBondContact O-N 3.12Å; Q310-F348 VanDerWaalsContact CD-CE1 3.48Å; Q310-F348 HydrophobicContact CG-CD1 4.39Å; Q310-F348 HydrophobicContact CG-CE1 3.99Å; Q310-F348 HydrophobicContact CG-CZ 4.13Å; Q310-E402 PolarHBondContact NE2-OE1 2.82Å
311L97.4Very high97.6Very high1 Ų112.8 Ų12.81%0.0058%0.078CC..Iπ-helixtrans-123-48.1-178.1-69.5175.7000113.9L10 A13 L14 M17 L276 F284 T307 L315L10-L311 HydrophobicContact CD1-CD1 4.36Å; L10-L311 HydrophobicContact CD1-CD2 3.55Å; L10-L311 HydrophobicContact CD1-CG 3.87Å; A13-L311 HydrophobicContact CB-CD2 4.42Å; L14-L311 HydrophobicContact CB-CD2 4.04Å; L14-L311 HydrophobicContact CD1-CD2 4.47Å; M17-L311 HydrophobicContact CE-CB 4.21Å; M17-L311 HydrophobicContact SD-CB 3.97Å; M17-L311 HydrophobicContact SD-CD1 4.44Å; M17-L311 HydrophobicContact SD-CD2 3.85Å; M17-L311 HydrophobicContact SD-CG 4.32Å; L276-L311 HydrophobicContact CD1-CD1 3.52Å; F284-L311 HydrophobicContact CD1-CD1 3.69Å; F284-L311 HydrophobicContact CE1-CB 4.49Å; F284-L311 HydrophobicContact CE1-CD1 3.92Å; F284-L311 HydrophobicContact CG-CD1 4.07Å; T307-L311 HydrophobicContact CG2-CD1 4.05Å; T307-L311 WeakPolarHBondContact O-CB 3.43Å; T307-L311 PolarHBondContact O-N 3.01Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 PolarHBondContact O-N 3.21Å
312V98Very high97.7Very high0 Ų012.6 Ų12.60%07%0.074CC..Iπ-helixtrans-76.8-39-175.1-176.80000111.2I248 F284 C295 L297 F308 L315 L316I248-V312 HydrophobicContact CD1-CG1 3.75Å; F284-V312 HydrophobicContact CE2-CG2 4.22Å; F284-V312 HydrophobicContact CZ-CG2 4.28Å; C295-V312 HydrophobicContact CB-CG2 4.02Å; L297-V312 HydrophobicContact CD2-CG2 4.12Å; F308-V312 HydrophobicContact CD2-CB 3.71Å; F308-V312 HydrophobicContact CD2-CG1 3.76Å; F308-V312 HydrophobicContact CD2-CG2 4.18Å; F308-V312 HydrophobicContact CE2-CB 4.03Å; F308-V312 HydrophobicContact CE2-CG1 3.62Å; F308-V312 HydrophobicContact CG-CB 4.14Å; F308-V312 HydrophobicContact CZ-CG1 4.36Å; F308-V312 CarbonylContact O-C 3.59Å; F308-V312 WeakPolarHBondContact O-CA 3.36Å; F308-V312 WeakPolarHBondContact O-CB 3.23Å; F308-V312 PolarHBondContact O-N 2.73Å; V312-L315 WeakPolarHBondContact O-CB 3.34Å; V312-L315 PolarHBondContact O-N 2.98Å; V312-L316 HydrophobicContact CG1-CD1 3.94Å; V312-L316 HydrophobicContact CG1-CG 4.18Å; V312-L316 VanDerWaalsContact O-CG 3.29Å; V312-L316 WeakPolarHBondContact O-CG 3.29Å; V312-L316 PolarHBondContact O-N 2.92Å
313Q98Very high97.6Very high32 Ų3217.1 Ų17.115%0.1510%0.102CC..Hα-helixtrans-59-49.1176.1167.1178.69.500112.3L216 F308 Y309 L315 L316 A317 N405L216-Q313 HydrophobicContact CD1-CB 4.05Å; L216-Q313 HydrophobicContact CD1-CG 4.04Å; L216-Q313 HydrophobicContact CD2-CG 3.92Å; F308-Q313 PolarHBondContact O-N 3.48Å; Y309-Q313 WeakPolarHBondContact O-CB 3.49Å; Y309-Q313 PolarHBondContact O-OE1 3.23Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.43Å; Q313-L316 PolarHBondContact O-N 3.15Å; Q313-A317 PolarHBondContact O-N 3.36Å; Q313-N405 PolarHBondContact NE2-ND2 3.3Å; Q313-N405 VanDerWaalsContact NE2-ND2 3.1Å
314P97.5Very high97.4Very high22 Ų2220.2 Ų20.214%0.14313%0.128CC..Hα-helixtrans-59.8-37.9173.4-26.934.9000114L14 A317 K318 L327L14-P314 HydrophobicContact CD1-CB 4.06Å; L14-P314 HydrophobicContact CD1-CG 3.96Å; P314-A317 PolarHBondContact O-N 2.96Å; P314-K318 PolarHBondContact O-N 3.45Å; P314-L327 HydrophobicContact CG-CD2 4.03Å
315L97.7Very high96.4Very high0 Ų026.1 Ų26.10%017%0.17CC..Hα-helixtrans-58.2-48.9174.1168.268.7000111.5M17 V21 F286 C295 L311 V312 Q313 K318 L319M17-L315 HydrophobicContact CE-CB 4.02Å; M17-L315 HydrophobicContact CE-CD2 3.9Å; M17-L315 HydrophobicContact CE-CG 4.43Å; V21-L315 HydrophobicContact CB-CD1 4.22Å; V21-L315 HydrophobicContact CG1-CD1 4.13Å; V21-L315 HydrophobicContact CG2-CD1 3.3Å; F286-L315 HydrophobicContact CE2-CD1 4.48Å; F286-L315 HydrophobicContact CE2-CD2 4.02Å; C295-L315 VanDerWaalsContact SG-CD2 3.53Å; L311-L315 WeakPolarHBondContact O-CB 3.43Å; L311-L315 PolarHBondContact O-N 3.21Å; V312-L315 WeakPolarHBondContact O-CB 3.34Å; V312-L315 PolarHBondContact O-N 2.98Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.43Å; L315-K318 PolarHBondContact O-N 3.49Å; L315-L319 HydrophobicContact CD1-CD1 4.28Å; L315-L319 HydrophobicContact CG-CD1 4.28Å; L315-L319 PolarHBondContact O-N 3.28Å
316L98.1Very high95Very high6 Ų629.2 Ų29.23%0.03120%0.202CC..Hα-helixtrans-65.8-39.1179.9-66.9170.4000111.8V178 V180 L213 L216 V246 F308 V312 Q313 K318 L319 S320V178-L316 HydrophobicContact CG1-CD2 3.9Å; V180-L316 HydrophobicContact CG2-CD2 3.79Å; L213-L316 HydrophobicContact CD2-CD1 3.44Å; L213-L316 VanDerWaalsContact CD2-CD1 3.44Å; L216-L316 HydrophobicContact CD1-CD1 4.21Å; V246-L316 HydrophobicContact CG2-CD2 3.96Å; F308-L316 HydrophobicContact CE2-CD1 4.48Å; F308-L316 HydrophobicContact CZ-CD1 4.2Å; V312-L316 HydrophobicContact CG1-CD1 3.94Å; V312-L316 HydrophobicContact CG1-CG 4.18Å; V312-L316 VanDerWaalsContact O-CG 3.29Å; V312-L316 WeakPolarHBondContact O-CG 3.29Å; V312-L316 PolarHBondContact O-N 2.92Å; Q313-L316 PolarHBondContact O-N 3.15Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 3.37Å; L316-L319 PolarHBondContact O-N 3.02Å; L316-S320 WeakPolarHBondContact O-CB 3.39Å; L316-S320 PolarHBondContact O-N 2.83Å
317A97.5Very high94.3Very high40 Ų4033 Ų3333%0.33122%0.222SC..Hα-helixtrans-57.9-47.6174.300000110.9Q313 P314 S320 N322Q313-A317 PolarHBondContact O-N 3.36Å; P314-A317 PolarHBondContact O-N 2.96Å; A317-S320 PolarHBondContact O-N 2.59Å; A317-S320 PolarHBondContact O-OG 3.09Å; A317-N322 WeakPolarHBondContact O-CB 3.43Å; A317-N322 PolarHBondContact O-N 2.96Å
318K97.5Very high93.9Very high68 Ų6835 Ų3530%0.29624%0.235SC..Hα-helixtrans-63.9-45.1175.5-175.6172.4-176.5179.70112.5L18 V21 P23 P314 L315 L316 S320 G321L18-K318 HydrophobicContact CB-CD 4.01Å; L18-K318 HydrophobicContact CD2-CB 3.93Å; L18-K318 HydrophobicContact CD2-CD 3.99Å; L18-K318 HydrophobicContact CG-CD 4.48Å; L18-K318 WeakPolarHBondContact O-CE 3.33Å; L18-K318 PolarHBondContact O-NZ 3.05Å; V21-K318 HydrophobicContact CB-CD 4.4Å; V21-K318 HydrophobicContact CG1-CD 4.41Å; V21-K318 HydrophobicContact CG1-CG 4.34Å; V21-K318 WeakPolarHBondContact O-CE 3.47Å; V21-K318 PolarHBondContact O-NZ 2.94Å; P23-K318 WeakPolarHBondContact CB-O 3.37Å; P314-K318 PolarHBondContact O-N 3.45Å; L315-K318 PolarHBondContact O-N 3.49Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 3.37Å; K318-S320 PolarHBondContact O-N 3.25Å; K318-G321 PolarHBondContact O-N 3.25Å; K318-G321 VanDerWaalsContact O-N 3.12Å
319L97.8Very high93.7Very high5 Ų538.9 Ų38.93%0.02627%0.267CS..Hα-helixtrans-58.6-34.6177.9-87.9172.7000112.7V21 L24 V178 V246 L315 L316 G321V21-L319 HydrophobicContact CG1-CD2 3.49Å; V21-L319 VanDerWaalsContact CG1-CD2 3.49Å; V21-L319 HydrophobicContact CG1-CG 3.54Å; L24-L319 WeakPolarHBondContact CB-O 3.34Å; L24-L319 WeakPolarHBondContact CG-O 3.39Å; L24-L319 PolarHBondContact N-O 3.26Å; V178-L319 HydrophobicContact CG1-CB 4.49Å; V178-L319 HydrophobicContact CG1-CD1 4.5Å; V178-L319 HydrophobicContact CG2-CB 4.14Å; V246-L319 HydrophobicContact CG2-CD1 3.35Å; L315-L319 HydrophobicContact CD1-CD1 4.28Å; L315-L319 HydrophobicContact CG-CD1 4.28Å; L315-L319 PolarHBondContact O-N 3.28Å; L316-L319 PolarHBondContact O-N 3.02Å; L319-G321 PolarHBondContact O-N 2.69Å
320S98.1Very high93.6Very high24 Ų2443.2 Ų43.217%0.16828%0.283CS..THydrogen-bonded Turntrans-68.1-10.1179.474.80000114.6I39 I175 L316 A317 K318 N322I39-S320 WeakPolarHBondContact CG1-O 3.44Å; I175-S320 WeakPolarHBondContact CD1-O 3.42Å; L316-S320 WeakPolarHBondContact O-CB 3.39Å; L316-S320 PolarHBondContact O-N 2.83Å; A317-S320 PolarHBondContact O-N 2.59Å; A317-S320 PolarHBondContact O-OG 3.09Å; K318-S320 PolarHBondContact O-N 3.25Å; S320-N322 VanDerWaalsContact C-N 3.34Å; S320-N322 PolarHBondContact OG-N 2.97Å
321G97.9Very high93.6Very high10 Ų1046.5 Ų46.510%0.10330%0.299CS..THydrogen-bonded Turntrans84.93.9-173.100000114.5G153 K318 L319 T323G153-G321 VanDerWaalsContact CA-O 3.28Å; G153-G321 WeakPolarHBondContact CA-O 3.36Å; K318-G321 PolarHBondContact O-N 3.25Å; K318-G321 VanDerWaalsContact O-N 3.12Å; L319-G321 PolarHBondContact O-N 2.69Å; G321-T323 PolarHBondContact O-N 2.95Å
322N97.9Very high93.7Very high36 Ų3653.9 Ų53.919%0.19333%0.327CS..  trans-62124.1176.7-170.8-1.8000110.3I39 G153 A317 S320 A324I39-N322 HydrophobicContact CD1-CB 3.7Å; I39-N322 HydrophobicContact CG1-CB 4.22Å; G153-N322 WeakPolarHBondContact O-CA 3.38Å; G153-N322 PolarHBondContact O-OD1 3.43Å; A317-N322 WeakPolarHBondContact O-CB 3.43Å; A317-N322 PolarHBondContact O-N 2.96Å; S320-N322 VanDerWaalsContact C-N 3.34Å; S320-N322 PolarHBondContact OG-N 2.97Å; N322-A324 VanDerWaalsContact OD1-CB 3.23Å; N322-A324 WeakPolarHBondContact OD1-CB 3.4Å; N322-A324 PolarHBondContact OD1-N 3.45Å
323T96.1Very high93.7Very high96 Ų9654 Ų5459%0.58933%0.328SS*.  trans-92.3-3.5179.752.10000113.2G153 G321 S325G153-T323 PolarHBondContact O-N 3.16Å; G153-T323 VanDerWaalsContact O-N 3.09Å; G153-T323 PolarHBondContact O-OG1 2.82Å; G321-T323 PolarHBondContact O-N 2.95Å; T323-S325 PolarHBondContact O-N 2.8Å
324A92.8Very high93.7Very high74 Ų7457.9 Ų57.961%0.61234%0.341SS*.  trans-59.9107.6173.700000110.1N322 G326N322-A324 VanDerWaalsContact OD1-CB 3.23Å; N322-A324 WeakPolarHBondContact OD1-CB 3.4Å; N322-A324 PolarHBondContact OD1-N 3.45Å; A324-G326 PolarHBondContact O-N 2.83Å
325S75.2Confident93.8Very high125 Ų12557 Ų5787%0.87434%0.335SS*.  trans-79.799.2175.345.90000109.3T323T323-S325 PolarHBondContact O-N 2.8Å
326G69.7Low93.9Very high67 Ų6758.7 Ų58.769%0.69135%0.349SS*.  trans-177.3119.5175.300000114.6A324A324-G326 PolarHBondContact O-N 2.83Å
327L82.8Confident93.9Very high79 Ų7959.2 Ų59.241%0.41435%0.353SS..SBendtrans-62.4157.8149.7-65.7173.2000108.9L14 P314 A329L14-L327 HydrophobicContact CD1-CD2 3.71Å; P314-L327 HydrophobicContact CG-CD2 4.03Å; L327-A329 PolarHBondContact O-N 2.76Å
328P88.7Confident93.9Very high42 Ų4262.7 Ų62.727%0.27336%0.358SS..PPolyproline II helixtrans-49.9138.5174.3-26.434.9000111.7Y309 R330 E402Y309-P328 HydrophobicContact CE1-CG 4.37Å; P328-R330 PolarHBondContact O-N 2.84Å; P328-E402 HydrophobicContact CB-CG 3.84Å
329A93.2Very high94Very high83 Ų8359.5 Ų59.569%0.68634%0.344SS*.PPolyproline II helixtrans-62.7136.7-178.500000110.7L327 P403L327-A329 PolarHBondContact O-N 2.76Å; A329-P403 WeakPolarHBondContact O-CD 3.23Å
330R96.4Very high94Very high94 Ų9467.1 Ų67.136%0.35538%0.377SS..  trans-109.1150.1171.7-64.4-172.5-179.3156.24.9110.3P328 V401 E402P328-R330 PolarHBondContact O-N 2.84Å; R330-V401 CarbonylContact C-O 3.5Å; R330-V401 VanDerWaalsContact CA-O 3.25Å; R330-V401 WeakPolarHBondContact CA-O 3.31Å; R330-E402 HydrophobicContact CG-CB 3.92Å; R330-E402 HydrophobicContact CG-CG 4.14Å; R330-E402 IonicContact CZ-OE2 3.99Å; R330-E402 VanDerWaalsContact CZ-OE2 3.23Å; R330-E402 IonicContact NE-OE2 3.41Å; R330-E402 PolarHBondContact NE-OE2 3.13Å; R330-E402 IonicContact NH2-OE2 2.81Å; R330-E402 PolarHBondContact NH2-OE2 3.39Å
331Q97.8Very high94Very high73 Ų7366.2 Ų66.234%0.34137%0.37SS..EExtended strand (participates in β ladder)trans-136.9151.217563.7-177.2-62.400110.6V333 V401Q331-V333 HydrophobicContact CG-CG1 4.18Å; Q331-V401 PolarHBondContact N-O 3.08Å; Q331-V401 PolarHBondContact O-N 3.49Å
332R98.6Very high94Very high155 Ų15570.6 Ų70.659%0.58540%0.395SS*.EExtended strand (participates in β ladder)trans-90125179.4-176.6167.7-65.5-158.90.1110.2W398 V399 E400R332-W398 HydrophobicContact CG-CB 4.05Å; R332-W398 HydrophobicContact CG-CD2 4.02Å; R332-W398 HydrophobicContact CG-CE3 3.47Å; R332-W398 VanDerWaalsContact CG-CE3 3.47Å; R332-W398 HydrophobicContact CG-CG 4.31Å; R332-W398 HydrophobicContact CG-CZ3 4.13Å; R332-V399 WeakPolarHBondContact CA-O 3.48Å; R332-E400 IonicContact CZ-OE1 3.15Å; R332-E400 IonicContact NE-OE1 3.68Å; R332-E400 PolarHBondContact NE-OE1 3.08Å; R332-E400 IonicContact NH2-OE1 2.72Å; R332-E400 PolarHBondContact NH2-OE1 3.07Å
333V98.6Very high93.9Very high4 Ų472.5 Ų72.52%0.02441%0.409CS..EExtended strand (participates in β ladder)trans-136.4162.8-179.8-60.10000111.1Q331 L353 L361 V363 W398 V399 V401Q331-V333 HydrophobicContact CG-CG1 4.18Å; V333-L353 HydrophobicContact CG1-CD1 3.98Å; V333-L353 HydrophobicContact CG2-CD1 4.35Å; V333-L361 HydrophobicContact CG1-CB 4.14Å; V333-V363 HydrophobicContact CG2-CB 4.1Å; V333-V363 HydrophobicContact CG2-CG1 3.92Å; V333-W398 VanDerWaalsContact C-CE3 3.42Å; V333-W398 CarbonylContact O-C 3.43Å; V333-W398 WeakPolarHBondContact O-CA 3.41Å; V333-V399 HydrophobicContact CG2-CG2 4.06Å; V333-V399 PolarHBondContact N-O 3.29Å; V333-V399 WeakPolarHBondContact O-CG2 3.35Å; V333-V399 PolarHBondContact O-N 3.02Å; V333-V401 HydrophobicContact CG2-CB 3.85Å; V333-V401 HydrophobicContact CG2-CG2 3.29Å
334R98.8Very high93.9Very high113 Ų11368.2 Ų68.243%0.42638%0.384SS..EExtended strand (participates in β ladder)trans-84.6143.3172.7-67.7-172.9-178.5-89.35.3110.6E362 V363 G396 E397 W398R334-E362 WeakPolarHBondContact O-CA 3.42Å; R334-E362 WeakPolarHBondContact O-CB 3.32Å; R334-V363 PolarHBondContact O-N 2.86Å; R334-G396 PolarHBondContact NH1-O 3.1Å; R334-E397 WeakPolarHBondContact CA-O 3.18Å; R334-W398 HydrophobicContact CG-CD2 4Å; R334-W398 HydrophobicContact CG-CE3 3.88Å; R334-W398 HydrophobicContact CG-CH2 4.19Å; R334-W398 HydrophobicContact CG-CZ2 4.25Å; R334-W398 HydrophobicContact CG-CZ3 4.01Å
335T98.8Very high94.1Very high2 Ų268.8 Ų68.81%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-86.6127.5172.1-174.80000111.3S337 V363 V393 E394 G396 E397 V399T335-S337 WeakPolarHBondContact CG2-O 3.44Å; T335-S337 PolarHBondContact OG1-N 3.17Å; T335-S337 VanDerWaalsContact OG1-N 3.16Å; T335-S337 PolarHBondContact OG1-O 3.45Å; T335-V363 CarbonylContact C-O 3.57Å; T335-V363 WeakPolarHBondContact CA-O 3.41Å; T335-V363 PolarHBondContact OG1-O 2.63Å; T335-V393 HydrophobicContact CG2-CG1 3.85Å; T335-E394 VanDerWaalsContact CG2-O 3.26Å; T335-E394 WeakPolarHBondContact CG2-O 3.49Å; T335-G396 PolarHBondContact O-N 2.81Å; T335-E397 PolarHBondContact N-O 3.27Å; T335-V399 HydrophobicContact CG2-CG1 4.43Å
336A98.6Very high95.2Very high36 Ų3664.2 Ų64.230%0.29834%0.336SS..SBendtrans-85.55.716900000111.9E362 V363A336-E362 HydrophobicContact CB-CG 4.32Å; A336-E362 WeakPolarHBondContact CB-OE1 3.16Å; A336-V363 PolarHBondContact N-O 3.35Å
337S98.5Very high96.6Very high17 Ų1761.1 Ų61.112%0.11930%0.304CS..SBendtrans-134146.3-178-670000112.1T335 L339 T364 T365T335-S337 WeakPolarHBondContact CG2-O 3.44Å; T335-S337 PolarHBondContact OG1-N 3.17Å; T335-S337 VanDerWaalsContact OG1-N 3.16Å; T335-S337 PolarHBondContact OG1-O 3.45Å; S337-L339 PolarHBondContact O-N 2.64Å; S337-T364 VanDerWaalsContact OG-CG2 3.22Å; S337-T364 WeakPolarHBondContact OG-CG2 3.43Å; S337-T365 PolarHBondContact OG-N 2.86Å
338R98.6Very high97.3Very high114 Ų11457.4 Ų57.443%0.4328%0.284SS..  trans-71.6127166.4-171.7178.5-169.9-80.5-9.8110V393 E394 V395R338-V393 CarbonylContact C-O 3.44Å; R338-V393 WeakPolarHBondContact CA-O 3.37Å; R338-V393 WeakPolarHBondContact CG-O 3.26Å; R338-E394 VanDerWaalsContact CD-OE2 3.3Å; R338-E394 WeakPolarHBondContact CD-OE2 3.43Å; R338-E394 IonicContact CZ-OE1 2.71Å; R338-E394 VanDerWaalsContact CZ-OE1 3.27Å; R338-E394 VanDerWaalsContact NE-CD 3.34Å; R338-E394 IonicContact NE-OE1 3.96Å; R338-E394 PolarHBondContact NE-OE1 3.43Å; R338-E394 IonicContact NE-OE2 3.81Å; R338-E394 PolarHBondContact NE-OE2 2.7Å; R338-E394 IonicContact NH2-OE1 3.73Å; R338-E394 PolarHBondContact NH2-OE1 2.8Å; R338-V395 HydrophobicContact CB-CG2 4.48Å
339L98.8Very high97.8Very high1 Ų155.6 Ų55.61%0.00527%0.272CS..BIsolated β-bridgetrans-108.7124.7-178.1-46.9174.5000110.4S337 K341 I384 L386 N392 V393 V399S337-L339 PolarHBondContact O-N 2.64Å; L339-K341 PolarHBondContact O-N 3.41Å; L339-I384 HydrophobicContact CD1-CD1 4.19Å; L339-I384 HydrophobicContact CD1-CG2 3.89Å; L339-I384 HydrophobicContact CD2-CD1 4.09Å; L339-L386 HydrophobicContact CB-CD1 4.13Å; L339-L386 HydrophobicContact CD1-CD1 4.11Å; L339-L386 HydrophobicContact CD1-CD2 3.9Å; L339-N392 WeakPolarHBondContact O-CA 3.43Å; L339-V393 HydrophobicContact CB-CB 4.01Å; L339-V393 HydrophobicContact CB-CG2 4.4Å; L339-V393 HydrophobicContact CD1-CB 4.22Å; L339-V393 HydrophobicContact CD1-CG1 4.48Å; L339-V393 HydrophobicContact CD1-CG2 4.49Å; L339-V393 HydrophobicContact CG-CB 4.3Å; L339-V393 PolarHBondContact N-O 3.46Å; L339-V393 PolarHBondContact O-N 2.89Å; L339-V399 HydrophobicContact CD1-CG1 4.15Å
340K98.4Very high98.1Very high164 Ų16451.7 Ų51.771%0.71324%0.239SC*.  trans-82.8114.7174-67.1-178.9-177.6178.30108.8Q349 N392K340-Q349 PolarHBondContact O-NE2 2.72Å; K340-N392 WeakPolarHBondContact CA-OD1 3.12Å
341K98.1Very high98.2Very high5 Ų547.2 Ų47.22%0.02222%0.223CC..  trans-140.3139.2-177.2165.269.216862.90110L339 R345 D347 L386 E387 R388 R390 G391 N392L339-K341 PolarHBondContact O-N 3.41Å; K341-R345 WeakPolarHBondContact CE-O 3.34Å; K341-R345 PolarHBondContact NZ-O 3.06Å; K341-D347 HydrophobicContact CD-CB 3.51Å; K341-L386 HydrophobicContact CB-CD1 3.7Å; K341-L386 HydrophobicContact CD-CB 3.9Å; K341-L386 HydrophobicContact CD-CD1 4.15Å; K341-L386 WeakPolarHBondContact CE-O 3.34Å; K341-L386 HydrophobicContact CG-CB 4.12Å; K341-L386 HydrophobicContact CG-CD1 3.98Å; K341-E387 VanDerWaalsContact CE-O 3.28Å; K341-E387 WeakPolarHBondContact CE-O 3.34Å; K341-E387 PolarHBondContact NZ-O 2.97Å; K341-R388 PolarHBondContact NZ-O 2.78Å; K341-R388 VanDerWaalsContact NZ-O 3.09Å; K341-R390 VanDerWaalsContact CG-O 3.29Å; K341-R390 WeakPolarHBondContact CG-O 3.34Å; K341-R390 PolarHBondContact NZ-O 3.27Å; K341-G391 VanDerWaalsContact CB-O 3.22Å; K341-G391 WeakPolarHBondContact CB-O 3.41Å; K341-G391 VanDerWaalsContact CG-O 3.23Å; K341-G391 WeakPolarHBondContact CG-O 3.27Å; K341-G391 CarbonylContact O-C 3.56Å; K341-N392 PolarHBondContact N-OD1 3.47Å; K341-N392 VanDerWaalsContact N-OD1 3.07Å; K341-N392 PolarHBondContact O-N 3.12Å; K341-N392 PolarHBondContact O-OD1 2.99Å
342T96.6Very high98.2Very high102 Ų10245.9 Ų45.963%0.62622%0.219SC*.  trans-110.7131.7178.2-510000108.9
343P97.4Very high98.2Very high77 Ų7739.7 Ų39.750%0.520%0.198SC..THydrogen-bonded Turntrans-57.8154.1174.4-2635.6000113R388P343-R388 CarbonylContact C-O 3.48Å
344G95.4Very high98.2Very high6 Ų642.6 Ų42.66%0.06221%0.211CC..THydrogen-bonded Turntrans111-19.2173.200000115.6R388G344-R388 PolarHBondContact N-O 3.43Å; G344-R388 PolarHBondContact O-NE 3.11Å
345R97.4Very high98.1Very high85 Ų8546.4 Ų46.432%0.32123%0.225SC..SBendtrans-137.5139.9179.3-60.4-169.4-66.1159.4-13.4111L7 A277 I278 K279 G281 K341 D347 R388L7-R345 HydrophobicContact CD1-CG 4.36Å; A277-R345 CarbonylContact O-C 3.58Å; A277-R345 VanDerWaalsContact O-CA 3.28Å; A277-R345 WeakPolarHBondContact O-CA 3.41Å; I278-R345 WeakPolarHBondContact O-CD 3.19Å; I278-R345 PolarHBondContact O-NH1 2.75Å; I278-R345 VanDerWaalsContact O-NH1 3.08Å; K279-R345 HydrophobicContact CB-CB 4.33Å; G281-R345 PolarHBondContact O-NH1 3.3Å; K341-R345 WeakPolarHBondContact CE-O 3.34Å; K341-R345 PolarHBondContact NZ-O 3.06Å; R345-D347 PolarHBondContact O-N 2.83Å; R345-R388 PolarHBondContact N-O 2.97Å
346L98.2Very high98.1Very high30 Ų3048.1 Ų48.116%0.15723%0.234CC..EExtended strand (participates in β ladder)trans-68.2116.7169.7-173.469000108.1L10 A277 I278 K279 F348 V385 L386L10-L346 HydrophobicContact CB-CD2 4.47Å; L10-L346 HydrophobicContact CD2-CD2 4.16Å; A277-L346 PolarHBondContact O-N 3.04Å; I278-L346 CarbonylContact C-O 3.57Å; I278-L346 VanDerWaalsContact CA-O 3.29Å; I278-L346 WeakPolarHBondContact CA-O 3.37Å; K279-L346 PolarHBondContact N-O 3.46Å; L346-F348 HydrophobicContact CD2-CE2 3.58Å; L346-F348 HydrophobicContact CD2-CZ 3.69Å; L346-F348 HydrophobicContact CG-CD2 4.48Å; L346-F348 HydrophobicContact CG-CE2 3.86Å; L346-F348 HydrophobicContact CG-CZ 4.29Å; L346-V385 HydrophobicContact CD1-CG1 3.81Å; L346-V385 HydrophobicContact CD2-CG1 4.32Å; L346-V385 HydrophobicContact CG-CG1 4.07Å; L346-L386 WeakPolarHBondContact CD1-O 3.39Å
347D98.6Very high98.1Very high2 Ų251.6 Ų51.61%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-105.4109.5-172.1-159.6-0.9000109.8K279 K341 R345 Q349 L386K279-D347 HydrophobicContact CB-CB 4.28Å; K279-D347 WeakPolarHBondContact CD-OD1 3.35Å; K279-D347 WeakPolarHBondContact CD-OD2 3.44Å; K279-D347 VanDerWaalsContact CG-OD1 3.31Å; K279-D347 WeakPolarHBondContact CG-OD1 3.28Å; K279-D347 IonicContact NZ-OD2 3.26Å; K279-D347 PolarHBondContact NZ-OD2 2.93Å; K279-D347 CarbonylContact O-C 3.57Å; K279-D347 WeakPolarHBondContact O-CA 3.5Å; K341-D347 HydrophobicContact CD-CB 3.51Å; R345-D347 PolarHBondContact O-N 2.83Å; D347-Q349 HydrophobicContact CB-CG 4.31Å; D347-Q349 PolarHBondContact O-N 2.74Å; D347-Q349 VanDerWaalsContact O-N 3.12Å; D347-Q349 PolarHBondContact OD2-NE2 3.09Å; D347-L386 HydrophobicContact CB-CB 4.26Å; D347-L386 PolarHBondContact N-O 2.71Å; D347-L386 PolarHBondContact O-N 2.73Å
348F98.6Very high98Very high0 Ų057.3 Ų57.30%029%0.293CS..EExtended strand (participates in β ladder)trans-82.972171.9-67.6-95.3000108.9L10 I278 K279 L306 Q310 L346 F383 V385L10-F348 HydrophobicContact CD2-CE2 3.9Å; L10-F348 HydrophobicContact CD2-CZ 3.54Å; I278-F348 HydrophobicContact CG2-CE2 4.25Å; K279-F348 PolarHBondContact O-N 3.32Å; L306-F348 HydrophobicContact CD1-CD2 4.1Å; L306-F348 HydrophobicContact CD1-CG 4.39Å; L306-F348 HydrophobicContact CD2-CB 3.76Å; L306-F348 HydrophobicContact CD2-CD1 4.09Å; L306-F348 HydrophobicContact CD2-CD2 4.38Å; L306-F348 HydrophobicContact CD2-CG 3.84Å; L306-F348 HydrophobicContact CG-CB 4.14Å; L306-F348 HydrophobicContact CG-CG 4.36Å; Q310-F348 VanDerWaalsContact CD-CE1 3.48Å; Q310-F348 HydrophobicContact CG-CD1 4.39Å; Q310-F348 HydrophobicContact CG-CE1 3.99Å; Q310-F348 HydrophobicContact CG-CZ 4.13Å; L346-F348 HydrophobicContact CD2-CE2 3.58Å; L346-F348 HydrophobicContact CD2-CZ 3.69Å; L346-F348 HydrophobicContact CG-CD2 4.48Å; L346-F348 HydrophobicContact CG-CE2 3.86Å; L346-F348 HydrophobicContact CG-CZ 4.29Å; F348-F383 HydrophobicContact CB-CD1 3.98Å; F348-F383 HydrophobicContact CB-CE1 4.49Å; F348-F383 HydrophobicContact CB-CG 4.39Å; F348-F383 HydrophobicContact CD1-CB 4.21Å; F348-F383 HydrophobicContact CD1-CD1 4.5Å; F348-F383 HydrophobicContact CD1-CD2 4.4Å; F348-F383 HydrophobicContact CD1-CG 4.13Å; F348-V385 HydrophobicContact CD1-CG1 4.28Å; F348-V385 HydrophobicContact CD1-CG2 3.95Å; F348-V385 HydrophobicContact CE1-CG1 3.96Å; F348-V385 HydrophobicContact CE1-CG2 4.02Å; F348-V385 HydrophobicContact CZ-CG1 4.22Å
349Q98.7Very high98Very high4 Ų453.8 Ų53.82%0.01929%0.292CS..EExtended strand (participates in β ladder)trans-69.4156.7172.5-61-1646.500109.5K340 D347 Q369 F383 I384 L386K340-Q349 PolarHBondContact O-NE2 2.72Å; D347-Q349 HydrophobicContact CB-CG 4.31Å; D347-Q349 PolarHBondContact O-N 2.74Å; D347-Q349 VanDerWaalsContact O-N 3.12Å; D347-Q349 PolarHBondContact OD2-NE2 3.09Å; Q349-Q369 HydrophobicContact CB-CG 4.23Å; Q349-Q369 HydrophobicContact CG-CG 4.19Å; Q349-F383 CarbonylContact O-C 3.58Å; Q349-F383 WeakPolarHBondContact O-CA 3.18Å; Q349-I384 HydrophobicContact CB-CB 4.31Å; Q349-I384 PolarHBondContact N-O 3.46Å; Q349-I384 VanDerWaalsContact N-O 3.07Å; Q349-I384 PolarHBondContact O-N 3.37Å; Q349-L386 HydrophobicContact CG-CD1 4.18Å
350R98.6Very high98Very high1 Ų159.6 Ų59.60%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-99.1134.3177.7-70.679.468.2-157.22.2109T366 Q369 S376 F383 F404R350-T366 HydrophobicContact CB-CG2 3.93Å; R350-T366 PolarHBondContact O-N 3.32Å; R350-T366 VanDerWaalsContact O-N 3.16Å; R350-T366 PolarHBondContact O-OG1 3.16Å; R350-Q369 VanDerWaalsContact CZ-OE1 3.31Å; R350-Q369 PolarHBondContact NH1-O 2.8Å; R350-Q369 VanDerWaalsContact NH1-O 3.11Å; R350-Q369 PolarHBondContact NH2-O 2.78Å; R350-Q369 PolarHBondContact O-NE2 2.72Å; R350-S376 VanDerWaalsContact CZ-OG 3.28Å; R350-S376 VanDerWaalsContact NE-CB 3.32Å; R350-S376 PolarHBondContact NE-OG 3.3Å; R350-S376 PolarHBondContact NH2-OG 2.84Å; R350-F383 HydrophobicContact CG-CD1 4.38Å; R350-F383 HydrophobicContact CG-CE1 4.38Å; R350-F404 HydrophobicContact CG-CZ 4.17Å
351G98.4Very high98Very high0 Ų055.1 Ų55.10%030%0.302CS..EExtended strand (participates in β ladder)trans-132.9168.9-176.800000113.2T364 G380 N381 C382G351-T364 CarbonylContact C-O 3.5Å; G351-T364 WeakPolarHBondContact CA-O 3.38Å; G351-G380 CarbonylContact O-C 3.56Å; G351-G380 WeakPolarHBondContact O-CA 3.38Å; G351-N381 PolarHBondContact O-N 3.08Å; G351-N381 PolarHBondContact O-OD1 2.96Å; G351-C382 VanDerWaalsContact C-SG 3.53Å; G351-C382 PolarHBondContact N-O 2.71Å; G351-C382 PolarHBondContact O-N 3.4Å; G351-C382 PolarHBondContact O-SG 2.88Å
352V98.5Very high98Very high45 Ų4557.1 Ų57.127%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-116.398.9172.5-174.60000107.7H354 V363 T364 T366 L379 N381V352-H354 PolarHBondContact O-ND1 2.92Å; V352-H354 VanDerWaalsContact O-ND1 3.1Å; V352-V363 WeakPolarHBondContact O-CA 3.47Å; V352-T364 PolarHBondContact N-O 2.85Å; V352-T364 PolarHBondContact O-N 2.84Å; V352-T366 HydrophobicContact CG2-CG2 4.1Å; V352-L379 WeakPolarHBondContact CG2-O 3.26Å; V352-N381 WeakPolarHBondContact CA-OD1 3.36Å
353L98.5Very high98.1Very high25 Ų2552.3 Ų52.313%0.13128%0.282CS..EExtended strand (participates in β ladder)trans-75.1122.4170.8-176.964.8000108.8V333 L361 E362 N381 C382 V401 P403V333-L353 HydrophobicContact CG1-CD1 3.98Å; V333-L353 HydrophobicContact CG2-CD1 4.35Å; L353-L361 HydrophobicContact CD1-CB 4.12Å; L353-L361 HydrophobicContact CD1-CD2 4.06Å; L353-L361 HydrophobicContact CD1-CG 4.5Å; L353-L361 HydrophobicContact CG-CD2 4.04Å; L353-E362 WeakPolarHBondContact CA-O 3.45Å; L353-N381 PolarHBondContact N-OD1 2.76Å; L353-N381 PolarHBondContact O-ND2 3.26Å; L353-C382 HydrophobicContact CB-CB 4.38Å; L353-V401 HydrophobicContact CD1-CG1 4.42Å; L353-V401 HydrophobicContact CD2-CG1 4.17Å; L353-P403 HydrophobicContact CD2-CG 4.34Å
354H97.8Very high98.2Very high66 Ų6650.8 Ų50.831%0.30627%0.271SS..EExtended strand (participates in β ladder)trans-148.2167.1-178.564.8-71.7000111V352 L361 E362 T364V352-H354 PolarHBondContact O-ND1 2.92Å; V352-H354 VanDerWaalsContact O-ND1 3.1Å; H354-L361 WeakPolarHBondContact O-CA 3.26Å; H354-E362 IonicContact CE1-OE1 3.54Å; H354-E362 PolarHBondContact N-O 3.46Å; H354-E362 PolarHBondContact ND1-O 3.18Å; H354-E362 IonicContact NE2-OE1 2.87Å; H354-E362 PolarHBondContact NE2-OE1 3.33Å; H354-E362 PolarHBondContact O-N 3.02Å; H354-T364 PolarHBondContact CE1-OG1 2.92Å
355R98.3Very high98.3Very high192 Ų19252.2 Ų52.273%0.72528%0.279SS*.EExtended strand (participates in β ladder)trans-88135173.4-78.2-174.6172.2172.3-1.4110.6E360 L361R355-E360 CarbonylContact C-O 3.58Å; R355-E360 VanDerWaalsContact CA-O 3.3Å; R355-E360 WeakPolarHBondContact CA-O 3.15Å; R355-L361 HydrophobicContact CG-CD2 4.13Å
356N98Very high98.4Very high38 Ų3849.1 Ų49.120%0.20327%0.27CS..  trans-81.3-176.8170.971.814.4000111.7D358 G359 E360 E362N356-D358 PolarHBondContact O-N 3.24Å; N356-D358 WeakPolarHBondContact OD1-CA 3.32Å; N356-D358 PolarHBondContact OD1-N 3.37Å; N356-G359 PolarHBondContact O-N 2.86Å; N356-G359 PolarHBondContact OD1-N 3.43Å; N356-G359 VanDerWaalsContact OD1-N 3.12Å; N356-E360 PolarHBondContact N-O 3.13Å; N356-E360 PolarHBondContact OD1-N 3.2Å; N356-E360 PolarHBondContact OD1-O 3.25Å; N356-E362 HydrophobicContact CB-CG 4.17Å; N356-E362 PolarHBondContact ND2-OE2 3.33Å
357A97.8Very high98.3Very high109 Ų10949.7 Ų49.790%0.90128%0.283SS*.THydrogen-bonded Turntrans-63.1-27.2-178.600000113.8G359A357-G359 VanDerWaalsContact C-N 3.28Å
358D97.8Very high98.1Very high138 Ų13855.4 Ų55.474%0.73831%0.309SS*.THydrogen-bonded Turntrans-86.6-0.6177.5-59.9-46.2000112.4N356 E360N356-D358 PolarHBondContact O-N 3.24Å; N356-D358 WeakPolarHBondContact OD1-CA 3.32Å; N356-D358 PolarHBondContact OD1-N 3.37Å; D358-E360 VanDerWaalsContact C-N 3.31Å; D358-E360 HydrophobicContact CB-CG 4.34Å
359G97.9Very high98Very high40 Ų4056.5 Ų56.541%0.41231%0.314SS..SBendtrans81.55.7-179.100000114.4N356 A357N356-G359 PolarHBondContact O-N 2.86Å; N356-G359 PolarHBondContact OD1-N 3.43Å; N356-G359 VanDerWaalsContact OD1-N 3.12Å; A357-G359 VanDerWaalsContact C-N 3.28Å
360E98.2Very high97.7Very high122 Ų12257.2 Ų57.257%0.5732%0.323SS*.  trans-80.9152.4176.2-53.8-178.8156.400111R355 N356 D358R355-E360 CarbonylContact C-O 3.58Å; R355-E360 VanDerWaalsContact CA-O 3.3Å; R355-E360 WeakPolarHBondContact CA-O 3.15Å; N356-E360 PolarHBondContact N-O 3.13Å; N356-E360 PolarHBondContact OD1-N 3.2Å; N356-E360 PolarHBondContact OD1-O 3.25Å; D358-E360 VanDerWaalsContact C-N 3.31Å; D358-E360 HydrophobicContact CB-CG 4.34Å
361L98.5Very high97.3Very high71 Ų7159.2 Ų59.237%0.37234%0.337SS..EExtended strand (participates in β ladder)trans-83131176.5-78.1173.8000111.7V333 L353 H354 R355V333-L361 HydrophobicContact CG1-CB 4.14Å; L353-L361 HydrophobicContact CD1-CB 4.12Å; L353-L361 HydrophobicContact CD1-CD2 4.06Å; L353-L361 HydrophobicContact CD1-CG 4.5Å; L353-L361 HydrophobicContact CG-CD2 4.04Å; H354-L361 WeakPolarHBondContact O-CA 3.26Å; R355-L361 HydrophobicContact CG-CD2 4.13Å
362E98.7Very high96.6Very high47 Ų4765.9 Ų65.922%0.2237%0.368CS..EExtended strand (participates in β ladder)trans-138.7162172.267.2-179.6-144.800111.7R334 A336 L353 H354 N356R334-E362 WeakPolarHBondContact O-CA 3.42Å; R334-E362 WeakPolarHBondContact O-CB 3.32Å; A336-E362 HydrophobicContact CB-CG 4.32Å; A336-E362 WeakPolarHBondContact CB-OE1 3.16Å; L353-E362 WeakPolarHBondContact CA-O 3.45Å; H354-E362 IonicContact CE1-OE1 3.54Å; H354-E362 PolarHBondContact N-O 3.46Å; H354-E362 PolarHBondContact ND1-O 3.18Å; H354-E362 IonicContact NE2-OE1 2.87Å; H354-E362 PolarHBondContact NE2-OE1 3.33Å; H354-E362 PolarHBondContact O-N 3.02Å; N356-E362 HydrophobicContact CB-CG 4.17Å; N356-E362 PolarHBondContact ND2-OE2 3.33Å
363V98.8Very high96.3Very high0 Ų066.1 Ų66.10%037%0.367CS..EExtended strand (participates in β ladder)trans-120.8134.4-178.572.50000112.8V333 R334 T335 A336 V352 I384 V399 V401V333-V363 HydrophobicContact CG2-CB 4.1Å; V333-V363 HydrophobicContact CG2-CG1 3.92Å; R334-V363 PolarHBondContact O-N 2.86Å; T335-V363 CarbonylContact C-O 3.57Å; T335-V363 WeakPolarHBondContact CA-O 3.41Å; T335-V363 PolarHBondContact OG1-O 2.63Å; A336-V363 PolarHBondContact N-O 3.35Å; V352-V363 WeakPolarHBondContact O-CA 3.47Å; V363-I384 HydrophobicContact CG1-CD1 4.11Å; V363-I384 HydrophobicContact CG1-CG1 4.31Å; V363-I384 HydrophobicContact CG2-CD1 3.76Å; V363-I384 HydrophobicContact CG2-CG1 3.74Å; V363-V399 HydrophobicContact CG1-CG2 3.67Å; V363-V401 HydrophobicContact CB-CG2 4.16Å; V363-V401 HydrophobicContact CG1-CG2 4.04Å; V363-V401 HydrophobicContact CG2-CG2 4.23Å
364T98.7Very high96.2Very high45 Ų4569.1 Ų69.128%0.27638%0.379SS..EExtended strand (participates in β ladder)trans-108.6147.5170.9-53.30000109.3S337 G351 V352 H354S337-T364 VanDerWaalsContact OG-CG2 3.22Å; S337-T364 WeakPolarHBondContact OG-CG2 3.43Å; G351-T364 CarbonylContact C-O 3.5Å; G351-T364 WeakPolarHBondContact CA-O 3.38Å; V352-T364 PolarHBondContact N-O 2.85Å; V352-T364 PolarHBondContact O-N 2.84Å; H354-T364 PolarHBondContact CE1-OG1 2.92Å
365T98.6Very high96.2Very high36 Ų3669 Ų6922%0.22139%0.386CS..EExtended strand (participates in β ladder)trans-67.5147.2171.9-1790000111.3S337 G367 Q369S337-T365 PolarHBondContact OG-N 2.86Å; T365-G367 PolarHBondContact O-N 2.86Å; T365-G367 VanDerWaalsContact O-N 3.09Å; T365-G367 PolarHBondContact OG1-N 3.12Å; T365-G367 PolarHBondContact OG1-O 2.57Å; T365-Q369 PolarHBondContact OG1-NE2 2.97Å; T365-Q369 VanDerWaalsContact OG1-NE2 3.11Å
366T98.4Very high96.1Very high21 Ų2159.9 Ų59.913%0.12935%0.352CS..  trans-72.47169.761.30000113.5R350 V352 Q369 S376 L379 G380R350-T366 HydrophobicContact CB-CG2 3.93Å; R350-T366 PolarHBondContact O-N 3.32Å; R350-T366 VanDerWaalsContact O-N 3.16Å; R350-T366 PolarHBondContact O-OG1 3.16Å; V352-T366 HydrophobicContact CG2-CG2 4.1Å; T366-Q369 PolarHBondContact OG1-NE2 2.98Å; T366-S376 WeakPolarHBondContact OG1-CB 3.31Å; T366-L379 HydrophobicContact CG2-CB 4.21Å; T366-G380 VanDerWaalsContact CG2-CA 3.48Å
367G96.8Very high96.1Very high42 Ų4258.4 Ų58.443%0.43334%0.343SS..SBendtrans100.3-130.1-175.700000112.1T365 Q369T365-G367 PolarHBondContact O-N 2.86Å; T365-G367 VanDerWaalsContact O-N 3.09Å; T365-G367 PolarHBondContact OG1-N 3.12Å; T365-G367 PolarHBondContact OG1-O 2.57Å; G367-Q369 PolarHBondContact O-N 3.04Å; G367-Q369 PolarHBondContact O-NE2 3.41Å
368H94.8Very high96Very high121 Ų12158.5 Ų58.556%0.5634%0.337SS*.  trans-67.4131-177.5-16581000111.1G370 H372 I373H368-G370 PolarHBondContact CD2-N 2.83Å; H368-G370 VanDerWaalsContact CD2-N 3.25Å; H368-H372 AromaticContact CD2-CE1 3.4Å; H368-H372 PolarHBondContact CD2-CE1 3.16Å; H368-H372 VanDerWaalsContact CD2-CE1 3.4Å; H368-H372 AromaticContact CD2-NE2 3.96Å; H368-H372 AromaticContact NE2-CE1 3.36Å; H368-H372 PolarHBondContact NE2-CE1 2.78Å; H368-I373 HydrophobicContact CB-CD1 3.95Å; H368-I373 WeakPolarHBondContact O-CD1 3.41Å
369Q96.3Very high96Very high24 Ų2457 Ų5711%0.11233%0.328CS..  trans-100.52.9-173.8-64.7-61.5-39.500113.8Q349 R350 T365 T366 G367Q349-Q369 HydrophobicContact CB-CG 4.23Å; Q349-Q369 HydrophobicContact CG-CG 4.19Å; R350-Q369 VanDerWaalsContact CZ-OE1 3.31Å; R350-Q369 PolarHBondContact NH1-O 2.8Å; R350-Q369 VanDerWaalsContact NH1-O 3.11Å; R350-Q369 PolarHBondContact NH2-O 2.78Å; R350-Q369 PolarHBondContact O-NE2 2.72Å; T365-Q369 PolarHBondContact OG1-NE2 2.97Å; T365-Q369 VanDerWaalsContact OG1-NE2 3.11Å; T366-Q369 PolarHBondContact OG1-NE2 2.98Å; G367-Q369 PolarHBondContact O-N 3.04Å; G367-Q369 PolarHBondContact O-NE2 3.41Å
370G91.7Very high96Very high19 Ų1955.4 Ų55.420%0.19631%0.313CS..  trans-55.1143.6177.700000112.1H368 H372 I373H368-G370 PolarHBondContact CD2-N 2.83Å; H368-G370 VanDerWaalsContact CD2-N 3.25Å; G370-H372 PolarHBondContact O-N 3.22Å; G370-I373 WeakPolarHBondContact O-CG1 3.3Å
371S90.6Very high96Very high43 Ų4353 Ų5330%0.30130%0.303SS..THydrogen-bonded Turntrans-78.62.3-176.866.20000113.8N300 V302 I373N300-S371 PolarHBondContact ND2-O 3.14Å; N300-S371 VanDerWaalsContact OD1-CB 3.26Å; N300-S371 WeakPolarHBondContact OD1-CB 3.48Å; N300-S371 PolarHBondContact OD1-O 3.13Å; V302-S371 WeakPolarHBondContact CG2-O 3.1Å; S371-I373 VanDerWaalsContact C-N 3.31Å
372H84.3Confident96Very high140 Ų14049.6 Ų49.665%0.64829%0.286SS*.THydrogen-bonded Turntrans-82.8-6.9176.363.6-87000113H368 G370H368-H372 AromaticContact CD2-CE1 3.4Å; H368-H372 PolarHBondContact CD2-CE1 3.16Å; H368-H372 VanDerWaalsContact CD2-CE1 3.4Å; H368-H372 AromaticContact CD2-NE2 3.96Å; H368-H372 AromaticContact NE2-CE1 3.36Å; H368-H372 PolarHBondContact NE2-CE1 2.78Å; G370-H372 PolarHBondContact O-N 3.22Å
373I91.5Very high96Very high50 Ų5047.4 Ų47.426%0.25628%0.275SS..  trans-124.5126.1179.646.8171.2000111.5V302 H368 G370 S371V302-I373 VanDerWaalsContact CG2-O 3.23Å; V302-I373 WeakPolarHBondContact CG2-O 3.09Å; H368-I373 HydrophobicContact CB-CD1 3.95Å; H368-I373 WeakPolarHBondContact O-CD1 3.41Å; G370-I373 WeakPolarHBondContact O-CG1 3.3Å; S371-I373 VanDerWaalsContact C-N 3.31Å
374F96.6Very high96Very high88 Ų8847.4 Ų47.439%0.38628%0.275SS..  trans-85.1-20.6177.8-155-98.5000113.3P301 V302 T305 S376 F377P301-F374 HydrophobicContact CB-CD2 4Å; P301-F374 HydrophobicContact CB-CE2 4.38Å; V302-F374 HydrophobicContact CG2-CD2 4.18Å; T305-F374 HydrophobicContact CG2-CE2 4.32Å; T305-F374 HydrophobicContact CG2-CZ 4.13Å; T305-F374 VanDerWaalsContact OG1-CE2 3.32Å; T305-F374 WeakPolarHBondContact OG1-CE2 3.19Å; F374-S376 PolarHBondContact O-N 2.9Å; F374-F377 HydrophobicContact CD1-CD2 4.12Å; F374-F377 AromaticContact CD2-CD2 3.94Å; F374-F377 HydrophobicContact CD2-CD2 3.94Å; F374-F377 HydrophobicContact CD2-CE2 4.12Å; F374-F377 HydrophobicContact CE1-CB 4.29Å; F374-F377 AromaticContact CE1-CD2 3.88Å; F374-F377 HydrophobicContact CE1-CD2 3.88Å; F374-F377 HydrophobicContact CE1-CG 4.41Å; F374-F377 AromaticContact CE2-CD2 3.69Å; F374-F377 HydrophobicContact CE2-CD2 3.69Å; F374-F377 AromaticContact CE2-CE2 3.74Å; F374-F377 HydrophobicContact CE2-CE2 3.74Å; F374-F377 HydrophobicContact CG-CD2 4.14Å; F374-F377 AromaticContact CZ-CD2 3.67Å; F374-F377 HydrophobicContact CZ-CD2 3.67Å; F374-F377 HydrophobicContact CZ-CE2 4.05Å; F374-F377 HydrophobicContact CZ-CG 4.4Å; F374-F377 PolarHBondContact O-N 3.24Å
375S97Very high96Very high63 Ų6345.4 Ų45.444%0.44126%0.263SS..THydrogen-bonded Turntrans-52.4-28.2-173.855.70000114.6F377 S378 L379S375-F377 PolarHBondContact O-N 2.9Å; S375-S378 PolarHBondContact O-N 2.72Å; S375-L379 WeakPolarHBondContact O-CG 3.34Å; S375-L379 PolarHBondContact O-N 2.95Å
376S97.3Very high96Very high1 Ų143.7 Ų43.71%0.00725%0.253CS..Hα-helixtrans-58.2-26.4176.153.80000114.9R350 T366 F374 G380R350-S376 VanDerWaalsContact CZ-OG 3.28Å; R350-S376 VanDerWaalsContact NE-CB 3.32Å; R350-S376 PolarHBondContact NE-OG 3.3Å; R350-S376 PolarHBondContact NH2-OG 2.84Å; T366-S376 WeakPolarHBondContact OG1-CB 3.31Å; F374-S376 PolarHBondContact O-N 2.9Å; S376-G380 PolarHBondContact O-N 2.87Å
377F97.5Very high96Very high7 Ų746 Ų463%0.03126%0.262CS..Hα-helixtrans-73.2-31.9173.4-73.3-72.5000112.2V302 T305 F374 S375 F383 F404 F408V302-F377 HydrophobicContact CB-CE2 4.33Å; V302-F377 HydrophobicContact CG1-CE2 3.81Å; V302-F377 HydrophobicContact CG1-CZ 4.17Å; V302-F377 HydrophobicContact CG2-CE2 4.43Å; T305-F377 HydrophobicContact CG2-CE1 4.16Å; T305-F377 HydrophobicContact CG2-CE2 4.02Å; T305-F377 HydrophobicContact CG2-CZ 3.76Å; F374-F377 HydrophobicContact CD1-CD2 4.12Å; F374-F377 AromaticContact CD2-CD2 3.94Å; F374-F377 HydrophobicContact CD2-CD2 3.94Å; F374-F377 HydrophobicContact CD2-CE2 4.12Å; F374-F377 HydrophobicContact CE1-CB 4.29Å; F374-F377 AromaticContact CE1-CD2 3.88Å; F374-F377 HydrophobicContact CE1-CD2 3.88Å; F374-F377 HydrophobicContact CE1-CG 4.41Å; F374-F377 AromaticContact CE2-CD2 3.69Å; F374-F377 HydrophobicContact CE2-CD2 3.69Å; F374-F377 AromaticContact CE2-CE2 3.74Å; F374-F377 HydrophobicContact CE2-CE2 3.74Å; F374-F377 HydrophobicContact CG-CD2 4.14Å; F374-F377 AromaticContact CZ-CD2 3.67Å; F374-F377 HydrophobicContact CZ-CD2 3.67Å; F374-F377 HydrophobicContact CZ-CE2 4.05Å; F374-F377 HydrophobicContact CZ-CG 4.4Å; F374-F377 PolarHBondContact O-N 3.24Å; S375-F377 PolarHBondContact O-N 2.9Å; F377-F383 AromaticContact CE1-CE1 3.84Å; F377-F383 HydrophobicContact CE1-CE1 3.84Å; F377-F383 AromaticContact CE1-CZ 3.92Å; F377-F383 HydrophobicContact CE1-CZ 3.92Å; F377-F404 HydrophobicContact CD1-CE2 4.38Å; F377-F404 HydrophobicContact CD1-CZ 4.04Å; F377-F408 HydrophobicContact CB-CD1 4.38Å; F377-F408 HydrophobicContact CD1-CD1 4.28Å; F377-F408 HydrophobicContact CD1-CD2 4.43Å; F377-F408 AromaticContact CD1-CE1 3.99Å; F377-F408 HydrophobicContact CD1-CE1 3.99Å; F377-F408 HydrophobicContact CD1-CE2 4.13Å; F377-F408 AromaticContact CD1-CZ 3.93Å; F377-F408 HydrophobicContact CD1-CZ 3.93Å; F377-F408 HydrophobicContact CE1-CE1 4.47Å; F377-F408 HydrophobicContact CE1-CE2 4.19Å; F377-F408 HydrophobicContact CE1-CZ 4Å; F377-F408 HydrophobicContact CG-CE1 4.32Å
378S97Very high96Very high110 Ų11048 Ų4877%0.76926%0.256SS*.Hα-helixtrans-81.3-35.3177.4172.40000112.5S375S375-S378 PolarHBondContact O-N 2.72Å
379L97.5Very high96.1Very high106 Ų10648.2 Ų48.256%0.55526%0.262SS*.Hα-helixtrans-76.7-31178.1-66.7171.6000112.2V352 T366 S375V352-L379 WeakPolarHBondContact CG2-O 3.26Å; T366-L379 HydrophobicContact CG2-CB 4.21Å; S375-L379 WeakPolarHBondContact O-CG 3.34Å; S375-L379 PolarHBondContact O-N 2.95Å
380G97.7Very high96.2Very high8 Ų849.3 Ų49.38%0.08227%0.265CS..  trans-89.8165.2-177.900000113.1G351 T366 S376G351-G380 CarbonylContact O-C 3.56Å; G351-G380 WeakPolarHBondContact O-CA 3.38Å; T366-G380 VanDerWaalsContact CG2-CA 3.48Å; S376-G380 PolarHBondContact O-N 2.87Å
381N97.9Very high96.5Very high70 Ų7049.7 Ų49.737%0.37427%0.269SS..SBendtrans-132.87.5171.563.65.1000112.1G351 V352 L353 F404G351-N381 PolarHBondContact O-N 3.08Å; G351-N381 PolarHBondContact O-OD1 2.96Å; V352-N381 WeakPolarHBondContact CA-OD1 3.36Å; L353-N381 PolarHBondContact N-OD1 2.76Å; L353-N381 PolarHBondContact O-ND2 3.26Å; N381-F404 PolarHBondContact O-N 3.18Å
382C98.4Very high96.9Very high0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-158.1160.5178.469.90000112.5G351 L353 V401 E402G351-C382 VanDerWaalsContact C-SG 3.53Å; G351-C382 PolarHBondContact N-O 2.71Å; G351-C382 PolarHBondContact O-N 3.4Å; G351-C382 PolarHBondContact O-SG 2.88Å; L353-C382 HydrophobicContact CB-CB 4.38Å; C382-V401 HydrophobicContact CB-CG1 3.61Å; C382-E402 CarbonylContact C-O 3.26Å; C382-E402 VanDerWaalsContact CA-O 3.28Å; C382-E402 WeakPolarHBondContact CA-O 3.38Å; C382-E402 WeakPolarHBondContact CB-O 3.41Å
383F98.6Very high97.6Very high1 Ų144.9 Ų44.90%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-85.8138.6157.7-60.1-66.7000110.5L306 Y309 F348 Q349 R350 F377 V385 V401 E402 F404L306-F383 HydrophobicContact CD2-CD1 4.47Å; L306-F383 HydrophobicContact CD2-CE1 3.81Å; L306-F383 HydrophobicContact CD2-CE2 4.31Å; L306-F383 HydrophobicContact CD2-CZ 3.72Å; Y309-F383 AromaticContact CD1-CE2 3.96Å; Y309-F383 HydrophobicContact CD1-CE2 3.96Å; Y309-F383 AromaticContact CE1-CE2 3.85Å; Y309-F383 HydrophobicContact CE1-CE2 3.85Å; F348-F383 HydrophobicContact CB-CD1 3.98Å; F348-F383 HydrophobicContact CB-CE1 4.49Å; F348-F383 HydrophobicContact CB-CG 4.39Å; F348-F383 HydrophobicContact CD1-CB 4.21Å; F348-F383 HydrophobicContact CD1-CD1 4.5Å; F348-F383 HydrophobicContact CD1-CD2 4.4Å; F348-F383 HydrophobicContact CD1-CG 4.13Å; Q349-F383 CarbonylContact O-C 3.58Å; Q349-F383 WeakPolarHBondContact O-CA 3.18Å; R350-F383 HydrophobicContact CG-CD1 4.38Å; R350-F383 HydrophobicContact CG-CE1 4.38Å; F377-F383 AromaticContact CE1-CE1 3.84Å; F377-F383 HydrophobicContact CE1-CE1 3.84Å; F377-F383 AromaticContact CE1-CZ 3.92Å; F377-F383 HydrophobicContact CE1-CZ 3.92Å; F383-V385 HydrophobicContact CB-CG2 3.94Å; F383-V401 CarbonylContact O-C 3.47Å; F383-V401 VanDerWaalsContact O-CA 3.29Å; F383-V401 WeakPolarHBondContact O-CA 3.34Å; F383-E402 HydrophobicContact CB-CB 4.24Å; F383-E402 PolarHBondContact N-O 2.96Å; F383-E402 PolarHBondContact O-N 3.3Å; F383-F404 AromaticContact CD1-CE1 3.75Å; F383-F404 HydrophobicContact CD1-CE1 3.75Å; F383-F404 HydrophobicContact CD1-CZ 4.46Å; F383-F404 HydrophobicContact CD2-CD1 4.05Å; F383-F404 AromaticContact CD2-CE1 3.79Å; F383-F404 HydrophobicContact CD2-CE1 3.79Å; F383-F404 AromaticContact CE1-CE1 3.68Å; F383-F404 HydrophobicContact CE1-CE1 3.68Å; F383-F404 HydrophobicContact CE1-CZ 4.27Å; F383-F404 AromaticContact CE2-CD1 3.95Å; F383-F404 HydrophobicContact CE2-CD1 3.95Å; F383-F404 AromaticContact CE2-CE1 3.72Å; F383-F404 HydrophobicContact CE2-CE1 3.72Å; F383-F404 HydrophobicContact CG-CD1 4.45Å; F383-F404 AromaticContact CG-CE1 3.8Å; F383-F404 HydrophobicContact CG-CE1 3.8Å; F383-F404 HydrophobicContact CZ-CD1 4.27Å; F383-F404 AromaticContact CZ-CE1 3.66Å; F383-F404 HydrophobicContact CZ-CE1 3.66Å; F383-F404 HydrophobicContact CZ-CZ 4.49Å
384I98.8Very high98Very high0 Ų046.5 Ų46.50%025%0.251CS..EExtended strand (participates in β ladder)trans-94.6106.4160.5-45.6174000106L339 Q349 V363 L386 V399 V401L339-I384 HydrophobicContact CD1-CD1 4.19Å; L339-I384 HydrophobicContact CD1-CG2 3.89Å; L339-I384 HydrophobicContact CD2-CD1 4.09Å; Q349-I384 HydrophobicContact CB-CB 4.31Å; Q349-I384 PolarHBondContact N-O 3.46Å; Q349-I384 VanDerWaalsContact N-O 3.07Å; Q349-I384 PolarHBondContact O-N 3.37Å; V363-I384 HydrophobicContact CG1-CD1 4.11Å; V363-I384 HydrophobicContact CG1-CG1 4.31Å; V363-I384 HydrophobicContact CG2-CD1 3.76Å; V363-I384 HydrophobicContact CG2-CG1 3.74Å; I384-L386 HydrophobicContact CG2-CD2 3.76Å; I384-L386 HydrophobicContact CG2-CG 4.19Å; I384-L386 PolarHBondContact O-N 2.92Å; I384-V399 HydrophobicContact CG2-CB 3.93Å; I384-V399 HydrophobicContact CG2-CG1 4.38Å; I384-V399 HydrophobicContact CG2-CG2 3.89Å; I384-V401 HydrophobicContact CG1-CG2 4.49Å; I384-V401 HydrophobicContact CG2-CG2 4.48Å
385V98.6Very high98.1Very high3 Ų346.9 Ų46.92%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-92.687.3-171-170.20000109.4L346 F348 F383 E400 E402L346-V385 HydrophobicContact CD1-CG1 3.81Å; L346-V385 HydrophobicContact CD2-CG1 4.32Å; L346-V385 HydrophobicContact CG-CG1 4.07Å; F348-V385 HydrophobicContact CD1-CG1 4.28Å; F348-V385 HydrophobicContact CD1-CG2 3.95Å; F348-V385 HydrophobicContact CE1-CG1 3.96Å; F348-V385 HydrophobicContact CE1-CG2 4.02Å; F348-V385 HydrophobicContact CZ-CG1 4.22Å; F383-V385 HydrophobicContact CB-CG2 3.94Å; V385-E400 HydrophobicContact CB-CB 4.46Å; V385-E400 PolarHBondContact N-O 2.83Å; V385-E402 HydrophobicContact CG2-CB 3.94Å
386L98.7Very high98.1Very high0 Ų045.2 Ų45.20%025%0.253CS..EExtended strand (participates in β ladder)trans-81.6123-175.8-59.5-179.9000111L339 K341 L346 D347 Q349 I384 V393 V399L339-L386 HydrophobicContact CB-CD1 4.13Å; L339-L386 HydrophobicContact CD1-CD1 4.11Å; L339-L386 HydrophobicContact CD1-CD2 3.9Å; K341-L386 HydrophobicContact CB-CD1 3.7Å; K341-L386 HydrophobicContact CD-CB 3.9Å; K341-L386 HydrophobicContact CD-CD1 4.15Å; K341-L386 WeakPolarHBondContact CE-O 3.34Å; K341-L386 HydrophobicContact CG-CB 4.12Å; K341-L386 HydrophobicContact CG-CD1 3.98Å; L346-L386 WeakPolarHBondContact CD1-O 3.39Å; D347-L386 HydrophobicContact CB-CB 4.26Å; D347-L386 PolarHBondContact N-O 2.71Å; D347-L386 PolarHBondContact O-N 2.73Å; Q349-L386 HydrophobicContact CG-CD1 4.18Å; I384-L386 HydrophobicContact CG2-CD2 3.76Å; I384-L386 HydrophobicContact CG2-CG 4.19Å; I384-L386 PolarHBondContact O-N 2.92Å; L386-V393 HydrophobicContact CD1-CG2 4.48Å; L386-V393 HydrophobicContact CD2-CG2 4.01Å; L386-V399 HydrophobicContact CD2-CB 4.35Å; L386-V399 HydrophobicContact CD2-CG1 3.89Å
387E98.5Very high98.2Very high70 Ų7048.6 Ų48.633%0.32727%0.269SS..  trans-55.2149.2-171.1-56.889.4153.900112.2K341 D389 R390K341-E387 VanDerWaalsContact CE-O 3.28Å; K341-E387 WeakPolarHBondContact CE-O 3.34Å; K341-E387 PolarHBondContact NZ-O 2.97Å; E387-D389 VanDerWaalsContact C-N 3.27Å; E387-D389 PolarHBondContact O-N 3.37Å; E387-D389 VanDerWaalsContact O-N 3.15Å; E387-R390 HydrophobicContact CB-CB 4.18Å; E387-R390 WeakPolarHBondContact O-CB 3.38Å; E387-R390 PolarHBondContact O-N 3.32Å; E387-R390 IonicContact OE1-NH1 2.74Å; E387-R390 WeakPolarHBondContact OE2-CD 3.43Å; E387-R390 IonicContact OE2-NE 2.95Å; E387-R390 IonicContact OE2-NH1 2.96Å; E387-R390 PolarHBondContact OE2-NH1 3.04Å
388R97.4Very high98.3Very high83 Ų8354 Ų5431%0.31329%0.289SS..THydrogen-bonded Turntrans-49.6-49-172.8-175.4-175.9-177.3171-0.5112.3K341 P343 G344 R345K341-R388 PolarHBondContact NZ-O 2.78Å; K341-R388 VanDerWaalsContact NZ-O 3.09Å; P343-R388 CarbonylContact C-O 3.48Å; G344-R388 PolarHBondContact N-O 3.43Å; G344-R388 PolarHBondContact O-NE 3.11Å; R345-R388 PolarHBondContact N-O 2.97Å
389D97.4Very high98.4Very high127 Ų12748.9 Ų48.968%0.67925%0.253SS*.THydrogen-bonded Turntrans-90.7-5.4-172.5-55.8-37.7000113.3E387E387-D389 VanDerWaalsContact C-N 3.27Å; E387-D389 PolarHBondContact O-N 3.37Å; E387-D389 VanDerWaalsContact O-N 3.15Å
390R98Very high98.4Very high47 Ų4745.8 Ų45.818%0.17724%0.236CC..  trans-68.8140.6-179.6-165.2166.1-174.5176.81.1111.7K341 E387 V393 E397 W398K341-R390 VanDerWaalsContact CG-O 3.29Å; K341-R390 WeakPolarHBondContact CG-O 3.34Å; K341-R390 PolarHBondContact NZ-O 3.27Å; E387-R390 HydrophobicContact CB-CB 4.18Å; E387-R390 WeakPolarHBondContact O-CB 3.38Å; E387-R390 PolarHBondContact O-N 3.32Å; E387-R390 IonicContact OE1-NH1 2.74Å; E387-R390 WeakPolarHBondContact OE2-CD 3.43Å; E387-R390 IonicContact OE2-NE 2.95Å; E387-R390 IonicContact OE2-NH1 2.96Å; E387-R390 PolarHBondContact OE2-NH1 3.04Å; R390-V393 HydrophobicContact CG-CG2 4.32Å; R390-E397 IonicContact CZ-OE2 3.37Å; R390-E397 IonicContact NE-OE2 2.69Å; R390-E397 IonicContact NH2-OE2 3.47Å; R390-E397 PolarHBondContact NH2-OE2 3.45Å; R390-W398 VanDerWaalsContact CZ-O 3.27Å; R390-W398 PolarHBondContact NH1-O 3.41Å; R390-W398 PolarHBondContact NH2-O 3.13Å
391G98.3Very high98.5Very high27 Ų2745.4 Ų45.428%0.27823%0.232SC..  trans-86.6-154.7170.500000112.4K341K341-G391 VanDerWaalsContact CB-O 3.22Å; K341-G391 WeakPolarHBondContact CB-O 3.41Å; K341-G391 VanDerWaalsContact CG-O 3.23Å; K341-G391 WeakPolarHBondContact CG-O 3.27Å; K341-G391 CarbonylContact O-C 3.56Å
392N98.6Very high98.5Very high81 Ų8142.1 Ų42.143%0.43321%0.214SC..  trans-56.9152171.9-65.3-40.7000111L339 K340 K341L339-N392 WeakPolarHBondContact O-CA 3.43Å; K340-N392 WeakPolarHBondContact CA-OD1 3.12Å; K341-N392 PolarHBondContact N-OD1 3.47Å; K341-N392 VanDerWaalsContact N-OD1 3.07Å; K341-N392 PolarHBondContact O-N 3.12Å; K341-N392 PolarHBondContact O-OD1 2.99Å
393V98.8Very high98.5Very high0 Ų044.3 Ų44.30%023%0.229CC..BIsolated β-bridgetrans-120.1127.1178.4-172.30000108.8T335 R338 L339 L386 R390 E397 V399T335-V393 HydrophobicContact CG2-CG1 3.85Å; R338-V393 CarbonylContact C-O 3.44Å; R338-V393 WeakPolarHBondContact CA-O 3.37Å; R338-V393 WeakPolarHBondContact CG-O 3.26Å; L339-V393 HydrophobicContact CB-CB 4.01Å; L339-V393 HydrophobicContact CB-CG2 4.4Å; L339-V393 HydrophobicContact CD1-CB 4.22Å; L339-V393 HydrophobicContact CD1-CG1 4.48Å; L339-V393 HydrophobicContact CD1-CG2 4.49Å; L339-V393 HydrophobicContact CG-CB 4.3Å; L339-V393 PolarHBondContact N-O 3.46Å; L339-V393 PolarHBondContact O-N 2.89Å; L386-V393 HydrophobicContact CD1-CG2 4.48Å; L386-V393 HydrophobicContact CD2-CG2 4.01Å; R390-V393 HydrophobicContact CG-CG2 4.32Å; V393-E397 HydrophobicContact CG1-CB 3.57Å; V393-E397 HydrophobicContact CG1-CG 4.2Å; V393-V399 HydrophobicContact CG1-CG1 3.86Å
394E98.8Very high98.4Very high85 Ų8544.6 Ų44.640%0.39723%0.23SC..  trans-88.2161.4177.1-57.7-56.7149.500111.6T335 R338 G396 E397T335-E394 VanDerWaalsContact CG2-O 3.26Å; T335-E394 WeakPolarHBondContact CG2-O 3.49Å; R338-E394 VanDerWaalsContact CD-OE2 3.3Å; R338-E394 WeakPolarHBondContact CD-OE2 3.43Å; R338-E394 IonicContact CZ-OE1 2.71Å; R338-E394 VanDerWaalsContact CZ-OE1 3.27Å; R338-E394 VanDerWaalsContact NE-CD 3.34Å; R338-E394 IonicContact NE-OE1 3.96Å; R338-E394 PolarHBondContact NE-OE1 3.43Å; R338-E394 IonicContact NE-OE2 3.81Å; R338-E394 PolarHBondContact NE-OE2 2.7Å; R338-E394 IonicContact NH2-OE1 3.73Å; R338-E394 PolarHBondContact NH2-OE1 2.8Å; E394-G396 PolarHBondContact O-N 3.35Å; E394-E397 PolarHBondContact N-OE1 2.85Å; E394-E397 WeakPolarHBondContact O-CB 3.49Å; E394-E397 PolarHBondContact O-N 2.81Å
395V98.7Very high98.3Very high95 Ų9546.2 Ų46.258%0.57624%0.238SC*.THydrogen-bonded Turntrans-59.8137.3179.8177.40000110.3R338 E397R338-V395 HydrophobicContact CB-CG2 4.48Å; V395-E397 VanDerWaalsContact C-N 3.32Å
396G98.4Very high98.2Very high28 Ų2849 Ų4929%0.28926%0.261SS..THydrogen-bonded Turntrans88.4-12.4179.900000114.5R334 T335 E394R334-G396 PolarHBondContact NH1-O 3.1Å; T335-G396 PolarHBondContact O-N 2.81Å; E394-G396 PolarHBondContact O-N 3.35Å
397E98.8Very high98.1Very high72 Ų7250.4 Ų50.434%0.33627%0.269SS..  trans-66.1152.5174.6-73.5-170.9-119.300112.4R334 T335 R390 V393 E394 V395R334-E397 WeakPolarHBondContact CA-O 3.18Å; T335-E397 PolarHBondContact N-O 3.27Å; R390-E397 IonicContact CZ-OE2 3.37Å; R390-E397 IonicContact NE-OE2 2.69Å; R390-E397 IonicContact NH2-OE2 3.47Å; R390-E397 PolarHBondContact NH2-OE2 3.45Å; V393-E397 HydrophobicContact CG1-CB 3.57Å; V393-E397 HydrophobicContact CG1-CG 4.2Å; E394-E397 PolarHBondContact N-OE1 2.85Å; E394-E397 WeakPolarHBondContact O-CB 3.49Å; E394-E397 PolarHBondContact O-N 2.81Å; V395-E397 VanDerWaalsContact C-N 3.32Å
398W98.9Very high98Very high122 Ų12249.4 Ų49.446%0.46226%0.263SS..EExtended strand (participates in β ladder)trans-76.6136.3173.3-69106.4000111.5R332 V333 R334 R390R332-W398 HydrophobicContact CG-CB 4.05Å; R332-W398 HydrophobicContact CG-CD2 4.02Å; R332-W398 HydrophobicContact CG-CE3 3.47Å; R332-W398 VanDerWaalsContact CG-CE3 3.47Å; R332-W398 HydrophobicContact CG-CG 4.31Å; R332-W398 HydrophobicContact CG-CZ3 4.13Å; V333-W398 VanDerWaalsContact C-CE3 3.42Å; V333-W398 CarbonylContact O-C 3.43Å; V333-W398 WeakPolarHBondContact O-CA 3.41Å; R334-W398 HydrophobicContact CG-CD2 4Å; R334-W398 HydrophobicContact CG-CE3 3.88Å; R334-W398 HydrophobicContact CG-CH2 4.19Å; R334-W398 HydrophobicContact CG-CZ2 4.25Å; R334-W398 HydrophobicContact CG-CZ3 4.01Å; R390-W398 VanDerWaalsContact CZ-O 3.27Å; R390-W398 PolarHBondContact NH1-O 3.41Å; R390-W398 PolarHBondContact NH2-O 3.13Å
399V98.9Very high97.8Very high1 Ų149 Ų491%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-135.6153.7176.9-65.50000110.2R332 V333 T335 L339 V363 I384 L386 V393 V401R332-V399 WeakPolarHBondContact CA-O 3.48Å; V333-V399 HydrophobicContact CG2-CG2 4.06Å; V333-V399 PolarHBondContact N-O 3.29Å; V333-V399 WeakPolarHBondContact O-CG2 3.35Å; V333-V399 PolarHBondContact O-N 3.02Å; T335-V399 HydrophobicContact CG2-CG1 4.43Å; L339-V399 HydrophobicContact CD1-CG1 4.15Å; V363-V399 HydrophobicContact CG1-CG2 3.67Å; I384-V399 HydrophobicContact CG2-CB 3.93Å; I384-V399 HydrophobicContact CG2-CG1 4.38Å; I384-V399 HydrophobicContact CG2-CG2 3.89Å; L386-V399 HydrophobicContact CD2-CB 4.35Å; L386-V399 HydrophobicContact CD2-CG1 3.89Å; V393-V399 HydrophobicContact CG1-CG1 3.86Å; V399-V401 HydrophobicContact CG2-CG2 4.26Å
400E98.7Very high96.8Very high42 Ų4244.1 Ų44.120%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-83.2132.6170.8-64.8-66.313100109.6R332 V385R332-E400 IonicContact CZ-OE1 3.15Å; R332-E400 IonicContact NE-OE1 3.68Å; R332-E400 PolarHBondContact NE-OE1 3.08Å; R332-E400 IonicContact NH2-OE1 2.72Å; R332-E400 PolarHBondContact NH2-OE1 3.07Å; V385-E400 HydrophobicContact CB-CB 4.46Å; V385-E400 PolarHBondContact N-O 2.83Å
401V98.6Very high94.9Very high0 Ų052.8 Ų52.80%031%0.313CS..EExtended strand (participates in β ladder)trans-124.8133.2178.8166.20000110.3R330 Q331 V333 L353 V363 C382 F383 I384 V399R330-V401 CarbonylContact C-O 3.5Å; R330-V401 VanDerWaalsContact CA-O 3.25Å; R330-V401 WeakPolarHBondContact CA-O 3.31Å; Q331-V401 PolarHBondContact N-O 3.08Å; Q331-V401 PolarHBondContact O-N 3.49Å; V333-V401 HydrophobicContact CG2-CB 3.85Å; V333-V401 HydrophobicContact CG2-CG2 3.29Å; L353-V401 HydrophobicContact CD1-CG1 4.42Å; L353-V401 HydrophobicContact CD2-CG1 4.17Å; V363-V401 HydrophobicContact CB-CG2 4.16Å; V363-V401 HydrophobicContact CG1-CG2 4.04Å; V363-V401 HydrophobicContact CG2-CG2 4.23Å; C382-V401 HydrophobicContact CB-CG1 3.61Å; F383-V401 CarbonylContact O-C 3.47Å; F383-V401 VanDerWaalsContact O-CA 3.29Å; F383-V401 WeakPolarHBondContact O-CA 3.34Å; I384-V401 HydrophobicContact CG1-CG2 4.49Å; I384-V401 HydrophobicContact CG2-CG2 4.48Å; V399-V401 HydrophobicContact CG2-CG2 4.26Å
402E98.1Very high94.7Very high0 Ų054.1 Ų54.10%032%0.315CS..EExtended strand (participates in β ladder)trans-114.9101.9175.7-171.1-179.9111.600108.2Q310 P328 R330 C382 F383 V385Q310-E402 PolarHBondContact NE2-OE1 2.82Å; P328-E402 HydrophobicContact CB-CG 3.84Å; R330-E402 HydrophobicContact CG-CB 3.92Å; R330-E402 HydrophobicContact CG-CG 4.14Å; R330-E402 IonicContact CZ-OE2 3.99Å; R330-E402 VanDerWaalsContact CZ-OE2 3.23Å; R330-E402 IonicContact NE-OE2 3.41Å; R330-E402 PolarHBondContact NE-OE2 3.13Å; R330-E402 IonicContact NH2-OE2 2.81Å; R330-E402 PolarHBondContact NH2-OE2 3.39Å; C382-E402 CarbonylContact C-O 3.26Å; C382-E402 VanDerWaalsContact CA-O 3.28Å; C382-E402 WeakPolarHBondContact CA-O 3.38Å; C382-E402 WeakPolarHBondContact CB-O 3.41Å; F383-E402 HydrophobicContact CB-CB 4.24Å; F383-E402 PolarHBondContact N-O 2.96Å; F383-E402 PolarHBondContact O-N 3.3Å; V385-E402 HydrophobicContact CG2-CB 3.94Å
403P97.9Very high94.5Very high47 Ų4752.6 Ų52.631%0.30531%0.309SS..EExtended strand (participates in β ladder)trans-54.3142.9175.2-25.435.7000111.7A329 L353A329-P403 WeakPolarHBondContact O-CD 3.23Å; L353-P403 HydrophobicContact CD2-CG 4.34Å
404F97.6Very high94.2Very high7 Ų755.6 Ų55.63%0.03133%0.326CS..  trans-64.6146170.5-67.8-15000109.9R350 F377 N381 F383 F408 G410R350-F404 HydrophobicContact CG-CZ 4.17Å; F377-F404 HydrophobicContact CD1-CE2 4.38Å; F377-F404 HydrophobicContact CD1-CZ 4.04Å; N381-F404 PolarHBondContact O-N 3.18Å; F383-F404 AromaticContact CD1-CE1 3.75Å; F383-F404 HydrophobicContact CD1-CE1 3.75Å; F383-F404 HydrophobicContact CD1-CZ 4.46Å; F383-F404 HydrophobicContact CD2-CD1 4.05Å; F383-F404 AromaticContact CD2-CE1 3.79Å; F383-F404 HydrophobicContact CD2-CE1 3.79Å; F383-F404 AromaticContact CE1-CE1 3.68Å; F383-F404 HydrophobicContact CE1-CE1 3.68Å; F383-F404 HydrophobicContact CE1-CZ 4.27Å; F383-F404 AromaticContact CE2-CD1 3.95Å; F383-F404 HydrophobicContact CE2-CD1 3.95Å; F383-F404 AromaticContact CE2-CE1 3.72Å; F383-F404 HydrophobicContact CE2-CE1 3.72Å; F383-F404 HydrophobicContact CG-CD1 4.45Å; F383-F404 AromaticContact CG-CE1 3.8Å; F383-F404 HydrophobicContact CG-CE1 3.8Å; F383-F404 HydrophobicContact CZ-CD1 4.27Å; F383-F404 AromaticContact CZ-CE1 3.66Å; F383-F404 HydrophobicContact CZ-CE1 3.66Å; F383-F404 HydrophobicContact CZ-CZ 4.49Å; F404-F408 HydrophobicContact CB-CB 4.03Å; F404-F408 HydrophobicContact CB-CD2 4.29Å; F404-F408 HydrophobicContact CD1-CD2 4.24Å; F404-F408 HydrophobicContact CD2-CB 3.57Å; F404-F408 HydrophobicContact CD2-CD2 4.14Å; F404-F408 HydrophobicContact CD2-CG 4.15Å; F404-F408 HydrophobicContact CE2-CB 4.29Å; F404-F408 HydrophobicContact CG-CB 4Å; F404-F408 AromaticContact CG-CD2 3.98Å; F404-F408 HydrophobicContact CG-CD2 3.98Å; F404-F408 HydrophobicContact CG-CG 4.4Å; F404-G410 WeakPolarHBondContact O-CA 3.38Å
405N96.3Very high94Very high33 Ų3353.8 Ų53.818%0.17632%0.322CS..  trans-88-172169.867.121.6000111Y309 Q313 L407 F408 G410Y309-N405 WeakPolarHBondContact CE2-ND2 3.47Å; Y309-N405 WeakPolarHBondContact CE2-OD1 3.4Å; Y309-N405 PolarHBondContact OH-N 3.37Å; Y309-N405 PolarHBondContact OH-ND2 2.72Å; Y309-N405 PolarHBondContact OH-OD1 3.37Å; Q313-N405 PolarHBondContact NE2-ND2 3.3Å; Q313-N405 VanDerWaalsContact NE2-ND2 3.1Å; N405-L407 PolarHBondContact O-N 3.37Å; N405-L407 WeakPolarHBondContact OD1-CB 3.44Å; N405-L407 WeakPolarHBondContact OD1-CG 3.37Å; N405-L407 PolarHBondContact OD1-N 3.04Å; N405-F408 PolarHBondContact O-N 3.09Å; N405-F408 VanDerWaalsContact O-N 3.1Å; N405-G410 WeakPolarHBondContact O-CA 3.41Å; N405-G410 PolarHBondContact O-N 2.99Å
406A95.9Very high93.7Very high61 Ų6151.3 Ų51.350%0.50431%0.306SS..G310 helixtrans-50.8-23.8177.400000115.8F408 G409 G410A406-F408 PolarHBondContact O-N 3.27Å; A406-G409 PolarHBondContact O-N 3.14Å; A406-G410 WeakPolarHBondContact CA-O 3.12Å; A406-G410 PolarHBondContact N-O 2.69Å
407L96.8Very high93.4Very high31 Ų3152.8 Ų52.816%0.16231%0.307CS..G310 helixtrans-62.9-26178.6-59.3-177000113.1M212 Q215 L216 Y309 N405M212-L407 HydrophobicContact CB-CD1 4.12Å; M212-L407 HydrophobicContact CB-CD2 4.25Å; M212-L407 HydrophobicContact CG-CB 4.36Å; M212-L407 HydrophobicContact CG-CD1 3.98Å; M212-L407 HydrophobicContact CG-CD2 4.31Å; M212-L407 HydrophobicContact CG-CG 4.45Å; M212-L407 HydrophobicContact SD-CD1 4.16Å; Q215-L407 HydrophobicContact CB-CD2 3.47Å; Q215-L407 VanDerWaalsContact CB-CD2 3.47Å; Q215-L407 HydrophobicContact CG-CD2 4.31Å; L216-L407 HydrophobicContact CG-CD2 4.44Å; Y309-L407 HydrophobicContact CD2-CD1 3.94Å; Y309-L407 HydrophobicContact CE2-CB 4.41Å; Y309-L407 HydrophobicContact CE2-CD1 4.01Å; N405-L407 PolarHBondContact O-N 3.37Å; N405-L407 WeakPolarHBondContact OD1-CB 3.44Å; N405-L407 WeakPolarHBondContact OD1-CG 3.37Å; N405-L407 PolarHBondContact OD1-N 3.04Å
408F97.5Very high93Very high48 Ų4851.4 Ų51.421%0.21131%0.305CS..G310 helixtrans-121.324177-54.8-63.7000112.6M212 T305 Y309 F377 F404 N405 A406M212-F408 HydrophobicContact SD-CZ 4.22Å; T305-F408 HydrophobicContact CG2-CE1 3.99Å; T305-F408 HydrophobicContact CG2-CZ 3.53Å; Y309-F408 HydrophobicContact CD2-CD2 4.32Å; Y309-F408 AromaticContact CD2-CE2 3.48Å; Y309-F408 HydrophobicContact CD2-CE2 3.48Å; Y309-F408 VanDerWaalsContact CD2-CE2 3.48Å; Y309-F408 HydrophobicContact CD2-CZ 4.21Å; Y309-F408 AromaticContact CE2-CD2 3.97Å; Y309-F408 HydrophobicContact CE2-CD2 3.97Å; Y309-F408 AromaticContact CE2-CE2 3.59Å; Y309-F408 HydrophobicContact CE2-CE2 3.59Å; Y309-F408 HydrophobicContact CG-CE2 4.41Å; F377-F408 HydrophobicContact CB-CD1 4.38Å; F377-F408 HydrophobicContact CD1-CD1 4.28Å; F377-F408 HydrophobicContact CD1-CD2 4.43Å; F377-F408 AromaticContact CD1-CE1 3.99Å; F377-F408 HydrophobicContact CD1-CE1 3.99Å; F377-F408 HydrophobicContact CD1-CE2 4.13Å; F377-F408 AromaticContact CD1-CZ 3.93Å; F377-F408 HydrophobicContact CD1-CZ 3.93Å; F377-F408 HydrophobicContact CE1-CE1 4.47Å; F377-F408 HydrophobicContact CE1-CE2 4.19Å; F377-F408 HydrophobicContact CE1-CZ 4Å; F377-F408 HydrophobicContact CG-CE1 4.32Å; F404-F408 HydrophobicContact CB-CB 4.03Å; F404-F408 HydrophobicContact CB-CD2 4.29Å; F404-F408 HydrophobicContact CD1-CD2 4.24Å; F404-F408 HydrophobicContact CD2-CB 3.57Å; F404-F408 HydrophobicContact CD2-CD2 4.14Å; F404-F408 HydrophobicContact CD2-CG 4.15Å; F404-F408 HydrophobicContact CE2-CB 4.29Å; F404-F408 HydrophobicContact CG-CB 4Å; F404-F408 AromaticContact CG-CD2 3.98Å; F404-F408 HydrophobicContact CG-CD2 3.98Å; F404-F408 HydrophobicContact CG-CG 4.4Å; N405-F408 PolarHBondContact O-N 3.09Å; N405-F408 VanDerWaalsContact O-N 3.1Å; A406-F408 PolarHBondContact O-N 3.27Å
409G92.7Very high92.5Very high74 Ų7446 Ų4676%0.76329%0.293SS*.THydrogen-bonded Turntrans8210.117800000115.3A406A406-G409 PolarHBondContact O-N 3.14Å
410G75.4Confident92Very high25 Ų2549.8 Ų49.826%0.25832%0.317SS..  trans-69.8169.7161.700000111.6F404 N405 A406F404-G410 WeakPolarHBondContact O-CA 3.38Å; N405-G410 WeakPolarHBondContact O-CA 3.41Å; N405-G410 PolarHBondContact O-N 2.99Å; A406-G410 WeakPolarHBondContact CA-O 3.12Å; A406-G410 PolarHBondContact N-O 2.69Å
411L58.2Low91.4Very high229 Ų22950.5 Ų50.5100%1.19933%0.328SS*.  trans-89.60172.1-69174.1000111

Retrieved 411 of 411 residues in 254 ms (Link to these results)

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