A0A077YYH3_TRITR Loading...

Nucleolar protein 10

AlphaFold DB , UniProt , Accession A0A077YYH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 539 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
1M72.3Confident83.7Confident53 Ų5365.6 Ų65.626%0.26134%0.335SS..  0121.90-168.9167.4-174.900107.8Y12 N13 L14 A16 I43 I341 T342 L345M1-Y12 HydrophobicContact CE-CD1 3.07Å; M1-Y12 HydrophobicContact CE-CE1 3.86Å; M1-Y12 HydrophobicContact CE-CG 3.46Å; M1-Y12 VanDerWaalsContact CE-CG 3.46Å; M1-Y12 HydrophobicContact SD-CD1 4.43Å; M1-N13 VanDerWaalsContact CA-O 3.27Å; M1-N13 WeakPolarHBondContact CA-O 3.45Å; M1-L14 HydrophobicContact CE-CD2 3.62Å; M1-L14 HydrophobicContact CG-CD2 4.01Å; M1-L14 HydrophobicContact SD-CD2 3.8Å; M1-A16 PolarHBondContact N-O 3.16Å; M1-A16 VanDerWaalsContact N-O 3.11Å; M1-I43 HydrophobicContact SD-CD1 4.25Å; M1-I341 HydrophobicContact SD-CG2 4.46Å; M1-T342 HydrophobicContact CE-CG2 3.84Å; M1-L345 HydrophobicContact CE-CD1 4.06Å; M1-L345 HydrophobicContact SD-CD1 3.68Å
2L80.1Confident84.3Confident92 Ų9260.3 Ų60.348%0.48231%0.307SS..EExtended strand (participates in β ladder)trans-115.8129.9176.1-175146.6000107.1T4 N13 A16L2-T4 HydrophobicContact CD2-CG2 3.52Å; L2-N13 PolarHBondContact N-O 3.43Å; L2-N13 PolarHBondContact O-N 3.46Å; L2-A16 HydrophobicContact CB-CB 3.65Å
3V81.9Confident84.7Confident46 Ų4657.1 Ų57.128%0.27929%0.291SS..EExtended strand (participates in β ladder)trans-100.8127.5179.2-164.20000108.4Y5 I11 Y12V3-Y5 HydrophobicContact CB-CE2 3.9Å; V3-Y5 HydrophobicContact CG1-CD2 4.2Å; V3-Y5 HydrophobicContact CG1-CE1 4.09Å; V3-Y5 HydrophobicContact CG1-CE2 3.5Å; V3-Y5 VanDerWaalsContact CG1-CZ 3.43Å; V3-Y5 WeakPolarHBondContact CG1-OH 3.19Å; V3-I11 WeakPolarHBondContact CA-O 3.48Å; V3-Y12 HydrophobicContact CB-CD1 4.35Å; V3-Y12 HydrophobicContact CB-CE1 4.35Å; V3-Y12 HydrophobicContact CG1-CD1 3.96Å; V3-Y12 HydrophobicContact CG1-CE1 3.76Å; V3-Y12 HydrophobicContact CG2-CD1 3.69Å; V3-Y12 HydrophobicContact CG2-CE1 3.65Å
4T85.5Confident84.7Confident54 Ų5453.5 Ų53.533%0.33127%0.273SS..EExtended strand (participates in β ladder)trans-114.9141.3171.450.10000109L2 P6 I11L2-T4 HydrophobicContact CD2-CG2 3.52Å; T4-P6 VanDerWaalsContact O-CD 3.25Å; T4-P6 WeakPolarHBondContact O-CD 3.21Å; T4-I11 PolarHBondContact N-O 2.92Å; T4-I11 PolarHBondContact O-N 3.34Å; T4-I11 WeakPolarHBondContact OG1-CB 3.25Å; T4-I11 PolarHBondContact OG1-O 2.97Å
5Y85.2Confident84.5Confident114 Ų11451.1 Ų51.145%0.44726%0.263SS..  trans-118.159.7-177.6-61.8-93.5000111.9V3 R10V3-Y5 HydrophobicContact CB-CE2 3.9Å; V3-Y5 HydrophobicContact CG1-CD2 4.2Å; V3-Y5 HydrophobicContact CG1-CE1 4.09Å; V3-Y5 HydrophobicContact CG1-CE2 3.5Å; V3-Y5 VanDerWaalsContact CG1-CZ 3.43Å; V3-Y5 WeakPolarHBondContact CG1-OH 3.19Å; Y5-R10 HydrophobicContact CD1-CB 4.4Å; Y5-R10 HydrophobicContact CD1-CG 3.74Å; Y5-R10 HydrophobicContact CE1-CB 4.21Å; Y5-R10 HydrophobicContact CE1-CG 3.48Å; Y5-R10 VanDerWaalsContact CE1-CG 3.48Å
6P82.6Confident83.7Confident31 Ų3149.6 Ų49.620%0.20126%0.26CS..G310 helixtrans-73.7130.9172.731.1-31.8000110.2T4 D8 V9 I11 S292T4-P6 VanDerWaalsContact O-CD 3.25Å; T4-P6 WeakPolarHBondContact O-CD 3.21Å; P6-D8 PolarHBondContact O-N 3.33Å; P6-V9 PolarHBondContact O-N 3.23Å; P6-I11 HydrophobicContact CG-CD1 3.46Å; P6-I11 VanDerWaalsContact CG-CD1 3.46Å; P6-I11 HydrophobicContact CG-CG1 4.12Å; P6-S292 VanDerWaalsContact CG-O 3.3Å; P6-S292 WeakPolarHBondContact CG-O 3.39Å
7N83.1Confident82.7Confident96 Ų9648.9 Ų48.951%0.51327%0.269SS..G310 helixtrans53.942.4177.4-58.7-14.2000114.7V9 Y290N7-V9 PolarHBondContact O-N 3.45Å; N7-Y290 WeakPolarHBondContact CB-O 3.39Å; N7-Y290 PolarHBondContact ND2-O 3.07Å
8D81.7Confident81.9Confident161 Ų16154.1 Ų54.186%0.86129%0.288SS*.G310 helixtrans61.212179.8-58.2-31.5000115.6P6P6-D8 PolarHBondContact O-N 3.33Å
9V87.9Confident81.1Confident10 Ų1054.6 Ų54.66%0.06129%0.293CS..  trans-106.9134.8173.9-179.80000109.8P6 N7 Y290 T291 I325 N327P6-V9 PolarHBondContact O-N 3.23Å; N7-V9 PolarHBondContact O-N 3.45Å; V9-Y290 HydrophobicContact CG1-CE1 4.04Å; V9-Y290 HydrophobicContact CG2-CE1 3.98Å; V9-Y290 HydrophobicContact CG2-CE2 4.33Å; V9-T291 HydrophobicContact CB-CG2 3.23Å; V9-T291 HydrophobicContact CG1-CG2 3.52Å; V9-T291 HydrophobicContact CG2-CG2 3.45Å; V9-T291 VanDerWaalsContact CG2-CG2 3.45Å; V9-I325 HydrophobicContact CG1-CG2 3.91Å; V9-N327 HydrophobicContact CG1-CB 4.2Å
10R88.7Confident80.7Confident65 Ų6553.7 Ų53.725%0.24529%0.288CS..  trans-82.3121.8-178.8-51.5-168.6168.9152.5-12.7109.6Y5 Y12 E346Y5-R10 HydrophobicContact CD1-CB 4.4Å; Y5-R10 HydrophobicContact CD1-CG 3.74Å; Y5-R10 HydrophobicContact CE1-CB 4.21Å; Y5-R10 HydrophobicContact CE1-CG 3.48Å; Y5-R10 VanDerWaalsContact CE1-CG 3.48Å; R10-Y12 HydrophobicContact CB-CE2 3.86Å; R10-E346 WeakPolarHBondContact CD-OE1 3.32Å; R10-E346 IonicContact CZ-OE1 3.31Å; R10-E346 IonicContact NH1-OE1 2.66Å; R10-E346 PolarHBondContact NH1-OE1 2.92Å; R10-E346 IonicContact NH1-OE2 3.53Å; R10-E346 PolarHBondContact NH1-OE2 3.46Å
11I92Very high80.3Confident0 Ų053.9 Ų53.90%029%0.292CS..EExtended strand (participates in β ladder)trans-117.4124.6175.7-55.4-175.6000108.5V3 T4 P6 T291 I293 Y323 I325V3-I11 WeakPolarHBondContact CA-O 3.48Å; T4-I11 PolarHBondContact N-O 2.92Å; T4-I11 PolarHBondContact O-N 3.34Å; T4-I11 WeakPolarHBondContact OG1-CB 3.25Å; T4-I11 PolarHBondContact OG1-O 2.97Å; P6-I11 HydrophobicContact CG-CD1 3.46Å; P6-I11 VanDerWaalsContact CG-CD1 3.46Å; P6-I11 HydrophobicContact CG-CG1 4.12Å; I11-T291 HydrophobicContact CD1-CG2 4.4Å; I11-I293 HydrophobicContact CD1-CD1 4.18Å; I11-I293 HydrophobicContact CD1-CG1 3.57Å; I11-I293 HydrophobicContact CG2-CD1 3.98Å; I11-I293 HydrophobicContact CG2-CG1 4.09Å; I11-Y323 HydrophobicContact CG2-CD1 3.66Å; I11-Y323 HydrophobicContact CG2-CE1 4.27Å; I11-I325 HydrophobicContact CB-CG1 4.48Å; I11-I325 HydrophobicContact CD1-CD1 4.27Å; I11-I325 HydrophobicContact CG1-CD1 4.21Å; I11-I325 HydrophobicContact CG1-CG1 4.13Å; I11-I325 HydrophobicContact CG2-CG1 4.17Å
12Y90.2Very high80.2Confident2 Ų257 Ų571%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-103.9110.7-176.3-69.3-73.5000110.1M1 V3 R10 L14 Y323 Y324 P326 T342 E346M1-Y12 HydrophobicContact CE-CD1 3.07Å; M1-Y12 HydrophobicContact CE-CE1 3.86Å; M1-Y12 HydrophobicContact CE-CG 3.46Å; M1-Y12 VanDerWaalsContact CE-CG 3.46Å; M1-Y12 HydrophobicContact SD-CD1 4.43Å; V3-Y12 HydrophobicContact CB-CD1 4.35Å; V3-Y12 HydrophobicContact CB-CE1 4.35Å; V3-Y12 HydrophobicContact CG1-CD1 3.96Å; V3-Y12 HydrophobicContact CG1-CE1 3.76Å; V3-Y12 HydrophobicContact CG2-CD1 3.69Å; V3-Y12 HydrophobicContact CG2-CE1 3.65Å; R10-Y12 HydrophobicContact CB-CE2 3.86Å; Y12-L14 PolarHBondContact O-N 2.84Å; Y12-Y323 WeakPolarHBondContact O-CA 3.23Å; Y12-Y324 WeakPolarHBondContact CB-O 3.48Å; Y12-Y324 HydrophobicContact CD2-CD1 4.33Å; Y12-Y324 PolarHBondContact N-O 2.92Å; Y12-Y324 PolarHBondContact O-N 2.97Å; Y12-P326 HydrophobicContact CD2-CG 4.19Å; Y12-P326 HydrophobicContact CE2-CG 3.72Å; Y12-T342 HydrophobicContact CD1-CG2 4.25Å; Y12-T342 HydrophobicContact CD2-CG2 3.89Å; Y12-T342 HydrophobicContact CE1-CG2 4.13Å; Y12-T342 HydrophobicContact CE2-CG2 3.8Å; Y12-T342 HydrophobicContact CG-CG2 4.1Å; Y12-E346 WeakPolarHBondContact OH-CG 3.39Å; Y12-E346 PolarHBondContact OH-OE1 3.14Å
13N89.7Confident80Confident18 Ų1862.6 Ų62.610%0.09633%0.325CS..EExtended strand (participates in β ladder)trans-88.1107.8171.1-170.7-19.4000109.9M1 L2 S15 A16 Y323M1-N13 VanDerWaalsContact CA-O 3.27Å; M1-N13 WeakPolarHBondContact CA-O 3.45Å; L2-N13 PolarHBondContact N-O 3.43Å; L2-N13 PolarHBondContact O-N 3.46Å; N13-S15 PolarHBondContact OD1-N 3.28Å; N13-S15 PolarHBondContact OD1-OG 3.11Å; N13-A16 HydrophobicContact CB-CB 3.96Å; N13-A16 PolarHBondContact OD1-N 2.91Å; N13-A16 VanDerWaalsContact OD1-N 3.07Å; N13-Y323 HydrophobicContact CB-CD1 4.01Å; N13-Y323 HydrophobicContact CB-CE1 3.66Å; N13-Y323 PolarHBondContact ND2-OH 3.49Å
14L85.2Confident79.9Confident7 Ų761.4 Ų61.44%0.03732%0.317CS..SBendtrans-84.8-25.6-177.7-58.1172.3000111.7M1 Y12 A16 L45 T322 L338M1-L14 HydrophobicContact CE-CD2 3.62Å; M1-L14 HydrophobicContact CG-CD2 4.01Å; M1-L14 HydrophobicContact SD-CD2 3.8Å; Y12-L14 PolarHBondContact O-N 2.84Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.04Å; L14-L45 HydrophobicContact CB-CD1 4.48Å; L14-L45 HydrophobicContact CB-CG 4.44Å; L14-L45 HydrophobicContact CD1-CD1 3.32Å; L14-L45 HydrophobicContact CD1-CD2 4.36Å; L14-L45 HydrophobicContact CD1-CG 3.78Å; L14-L45 HydrophobicContact CG-CD1 4.5Å; L14-T322 WeakPolarHBondContact CB-OG1 3.48Å; L14-T322 PolarHBondContact N-O 2.88Å; L14-L338 HydrophobicContact CD1-CD1 3.88Å; L14-L338 HydrophobicContact CD1-CD2 4.05Å; L14-L338 HydrophobicContact CD2-CD2 4.08Å
15S81.5Confident79.8Confident17 Ų1762.3 Ų62.312%0.11933%0.325CS..SBendtrans-76.4-20.517769.90000113.5N13 G17 K319 L321 T322N13-S15 PolarHBondContact OD1-N 3.28Å; N13-S15 PolarHBondContact OD1-OG 3.11Å; S15-G17 PolarHBondContact O-N 3.04Å; S15-K319 PolarHBondContact O-NZ 2.89Å; S15-K319 VanDerWaalsContact O-NZ 3.1Å; S15-L321 WeakPolarHBondContact OG-CD2 3.44Å; S15-T322 PolarHBondContact N-OG1 2.8Å
16A71.1Confident79.6Confident27 Ų2762.8 Ų62.822%0.22333%0.331CS..  trans-68.2109.8-179.400000112.1M1 L2 N13 L14M1-A16 PolarHBondContact N-O 3.16Å; M1-A16 VanDerWaalsContact N-O 3.11Å; L2-A16 HydrophobicContact CB-CB 3.65Å; N13-A16 HydrophobicContact CB-CB 3.96Å; N13-A16 PolarHBondContact OD1-N 2.91Å; N13-A16 VanDerWaalsContact OD1-N 3.07Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.04Å
17G67.5Low79.7Confident39 Ų3971.5 Ų71.540%0.40236%0.36SS..SBendtrans175.3148174.300000111.6S15 T19 K319S15-G17 PolarHBondContact O-N 3.04Å; G17-T19 PolarHBondContact O-N 3.16Å; G17-T19 VanDerWaalsContact O-N 3.16Å; G17-K319 PolarHBondContact O-NZ 2.89Å
18K67.5Low79.8Confident142 Ų14273 Ų7362%0.61736%0.362SS*.PPolyproline II helixtrans-55.6119.9175.1-68.5173.7-177.9161.70108.8D38 L39K18-D38 IonicContact NZ-OD2 2.8Å; K18-L39 HydrophobicContact CB-CD2 4.04Å; K18-L39 WeakPolarHBondContact O-CD2 3.41Å
19T68Low79.8Confident64 Ų6467.8 Ų67.839%0.39333%0.332SS..PPolyproline II helixtrans-78.9140.9170.942.40000109.6G17 K319G17-T19 PolarHBondContact O-N 3.16Å; G17-T19 VanDerWaalsContact O-N 3.16Å; T19-K319 HydrophobicContact CG2-CD 3.58Å; T19-K319 HydrophobicContact CG2-CG 4.35Å
20L72.8Confident79.4Confident36 Ų3674.6 Ų74.619%0.18836%0.356CS..PPolyproline II helixtrans-81.8126.7163.4-70.7174.1000106.7L24 K29 L32 L33 L39L20-L24 HydrophobicContact CD2-CD2 4.38Å; L20-K29 HydrophobicContact CD1-CB 4.15Å; L20-K29 HydrophobicContact CD1-CG 4.14Å; L20-L32 HydrophobicContact CD2-CB 4.42Å; L20-L32 HydrophobicContact CD2-CD1 3.91Å; L20-L33 HydrophobicContact CD1-CD1 4.46Å; L20-L33 HydrophobicContact CD1-CG 4.31Å; L20-L39 HydrophobicContact CD2-CD1 3.83Å; L20-L39 HydrophobicContact CD2-CD2 4.49Å; L20-L39 HydrophobicContact CG-CD1 4.33Å; L20-L39 HydrophobicContact CG-CD2 4.37Å
21P70.9Confident79.3Confident57 Ų5779.4 Ų79.437%0.3738%0.375SS..PPolyproline II helixtrans-59.9144.6175-21.130.9000111.3W23 L24 K29P21-W23 VanDerWaalsContact C-N 3.31Å; P21-W23 HydrophobicContact CB-CD2 4.24Å; P21-W23 HydrophobicContact CB-CG 4.23Å; P21-W23 HydrophobicContact CB-CZ2 4.17Å; P21-W23 HydrophobicContact CG-CZ2 4.24Å; P21-W23 PolarHBondContact O-N 3.44Å; P21-L24 WeakPolarHBondContact O-CB 3.33Å; P21-L24 PolarHBondContact O-N 2.79Å; P21-K29 VanDerWaalsContact O-CE 3.24Å; P21-K29 WeakPolarHBondContact O-CE 3.41Å
22D71.9Confident78.8Confident118 Ų11882.3 Ų82.363%0.63139%0.39SS*.THydrogen-bonded Turntrans-64.3-38.1-175.1-64.5-31.8000112.2L24 K29D22-L24 PolarHBondContact O-N 3.31Å; D22-L24 VanDerWaalsContact O-N 3.08Å; D22-K29 PolarHBondContact O-NZ 3.41Å; D22-K29 VanDerWaalsContact O-NZ 3.08Å
23W74.5Confident78.4Confident211 Ų21185.4 Ų85.480%0.79941%0.406SS*.THydrogen-bonded Turntrans-65.2-9.4179.360.3-99.3000114.7P21 S25P21-W23 VanDerWaalsContact C-N 3.31Å; P21-W23 HydrophobicContact CB-CD2 4.24Å; P21-W23 HydrophobicContact CB-CG 4.23Å; P21-W23 HydrophobicContact CB-CZ2 4.17Å; P21-W23 HydrophobicContact CG-CZ2 4.24Å; P21-W23 PolarHBondContact O-N 3.44Å; W23-S25 PolarHBondContact O-N 3.29Å
24L80.8Confident78Confident21 Ų2193.6 Ų93.611%0.1144%0.441CS..SBendtrans-73.3123.9179.7-170.767.3000111L20 P21 D22 E26 K28 K29 L32L20-L24 HydrophobicContact CD2-CD2 4.38Å; P21-L24 WeakPolarHBondContact O-CB 3.33Å; P21-L24 PolarHBondContact O-N 2.79Å; D22-L24 PolarHBondContact O-N 3.31Å; D22-L24 VanDerWaalsContact O-N 3.08Å; L24-E26 PolarHBondContact O-N 3.23Å; L24-K28 HydrophobicContact CD1-CB 3.61Å; L24-K28 HydrophobicContact CD1-CD 3.6Å; L24-K28 HydrophobicContact CD1-CG 4.26Å; L24-K28 HydrophobicContact CD2-CB 4.03Å; L24-K28 HydrophobicContact CG-CB 3.73Å; L24-K29 HydrophobicContact CB-CG 4.01Å; L24-K29 HydrophobicContact CD2-CG 3.77Å; L24-K29 HydrophobicContact CG-CG 3.98Å; L24-K29 WeakPolarHBondContact O-CD 3.21Å; L24-K29 WeakPolarHBondContact O-CE 3.35Å; L24-L32 HydrophobicContact CD2-CD1 3.55Å
25S83.1Confident77.9Confident72 Ų7299.7 Ų99.750%0.50347%0.467SS..  trans-50.1137.4173.1172.40000111.9W23 R27 K28 K29W23-S25 PolarHBondContact O-N 3.29Å; S25-R27 PolarHBondContact O-N 2.98Å; S25-R27 VanDerWaalsContact O-N 3.09Å; S25-K28 WeakPolarHBondContact O-CA 3.32Å; S25-K28 WeakPolarHBondContact O-CB 3.43Å; S25-K28 PolarHBondContact O-N 3.18Å; S25-K29 PolarHBondContact O-N 3.43Å
26E81.8Confident77.8Confident124 Ų124101.9 Ų101.958%0.57948%0.477SS*.Hα-helixtrans-52.8-35.7-177.9-129.1-169.9132.700113L24 K28 K29 R30L24-E26 PolarHBondContact O-N 3.23Å; E26-K28 PolarHBondContact O-N 3.49Å; E26-K29 WeakPolarHBondContact O-CB 3.49Å; E26-K29 PolarHBondContact O-N 3.21Å; E26-R30 WeakPolarHBondContact O-CG 3.09Å; E26-R30 PolarHBondContact O-N 3.28Å; E26-R30 IonicContact OE1-CZ 3.6Å; E26-R30 IonicContact OE1-NE 2.84Å; E26-R30 IonicContact OE1-NH2 3.73Å; E26-R30 PolarHBondContact OE1-NH2 3.2Å
27R83.9Confident78.1Confident214 Ų214105.1 Ų105.181%0.80849%0.491SS*.Hα-helixtrans-63.7-39.6176-171.2175.8-177.6174.81.6112.2S25 R31S25-R27 PolarHBondContact O-N 2.98Å; S25-R27 VanDerWaalsContact O-N 3.09Å; R27-R31 PolarHBondContact O-N 3.13Å; R27-R31 VanDerWaalsContact O-N 3.11Å
28K84.1Confident78.5Confident129 Ų129108.3 Ų108.356%0.56150%0.498SS*.Hα-helixtrans-72-40.6175.3-72.5-178-178.3176.10110.7L24 S25 E26 R30 R31 L32L24-K28 HydrophobicContact CD1-CB 3.61Å; L24-K28 HydrophobicContact CD1-CD 3.6Å; L24-K28 HydrophobicContact CD1-CG 4.26Å; L24-K28 HydrophobicContact CD2-CB 4.03Å; L24-K28 HydrophobicContact CG-CB 3.73Å; S25-K28 WeakPolarHBondContact O-CA 3.32Å; S25-K28 WeakPolarHBondContact O-CB 3.43Å; S25-K28 PolarHBondContact O-N 3.18Å; E26-K28 PolarHBondContact O-N 3.49Å; K28-R30 PolarHBondContact O-N 3.06Å; K28-R31 PolarHBondContact O-N 3.08Å; K28-R31 VanDerWaalsContact O-N 3.16Å; K28-L32 WeakPolarHBondContact O-CG 3.44Å; K28-L32 PolarHBondContact O-N 2.98Å
29K82Confident78.8Confident50 Ų50102.3 Ų102.322%0.21747%0.473CS..Hα-helixtrans-53.9-51.5172.6-70.8-178.7175.3170.90110.7L20 P21 D22 L24 S25 E26 R31 L32 L33L20-K29 HydrophobicContact CD1-CB 4.15Å; L20-K29 HydrophobicContact CD1-CG 4.14Å; P21-K29 VanDerWaalsContact O-CE 3.24Å; P21-K29 WeakPolarHBondContact O-CE 3.41Å; D22-K29 PolarHBondContact O-NZ 3.41Å; D22-K29 VanDerWaalsContact O-NZ 3.08Å; L24-K29 HydrophobicContact CB-CG 4.01Å; L24-K29 HydrophobicContact CD2-CG 3.77Å; L24-K29 HydrophobicContact CG-CG 3.98Å; L24-K29 WeakPolarHBondContact O-CD 3.21Å; L24-K29 WeakPolarHBondContact O-CE 3.35Å; S25-K29 PolarHBondContact O-N 3.43Å; E26-K29 WeakPolarHBondContact O-CB 3.49Å; E26-K29 PolarHBondContact O-N 3.21Å; K29-R31 PolarHBondContact O-N 3.08Å; K29-L32 PolarHBondContact O-N 3.43Å; K29-L33 WeakPolarHBondContact O-CD1 3.44Å; K29-L33 WeakPolarHBondContact O-CG 3.36Å; K29-L33 PolarHBondContact O-N 2.98Å
30R81.1Confident79Confident153 Ų153108.9 Ų108.958%0.57749%0.491SS*.Hα-helixtrans-60.7-38.3176.6-68.1179.3-167.8-174.26.5113.2E26 K28 K34E26-R30 WeakPolarHBondContact O-CG 3.09Å; E26-R30 PolarHBondContact O-N 3.28Å; E26-R30 IonicContact OE1-CZ 3.6Å; E26-R30 IonicContact OE1-NE 2.84Å; E26-R30 IonicContact OE1-NH2 3.73Å; E26-R30 PolarHBondContact OE1-NH2 3.2Å; K28-R30 PolarHBondContact O-N 3.06Å; R30-K34 WeakPolarHBondContact O-CG 3.1Å; R30-K34 PolarHBondContact O-N 3.36Å; R30-K34 VanDerWaalsContact O-N 3.17Å
31R84.8Confident79Confident167 Ų167115.8 Ų115.863%0.6351%0.514SS*.Hα-helixtrans-67.2-37.4176.5-171.1179.3-179.1-167.9-0.4112.1R27 K28 K29 K35R27-R31 PolarHBondContact O-N 3.13Å; R27-R31 VanDerWaalsContact O-N 3.11Å; K28-R31 PolarHBondContact O-N 3.08Å; K28-R31 VanDerWaalsContact O-N 3.16Å; K29-R31 PolarHBondContact O-N 3.08Å; R31-K35 WeakPolarHBondContact O-CG 3.48Å; R31-K35 PolarHBondContact O-N 3.08Å
32L82.6Confident79.2Confident60 Ų60116 Ų11631%0.31451%0.508SS..Hα-helixtrans-71.9-41.7176.6-70.8175.8000111.9L20 L24 K28 K29 K34 K35 N36 L39L20-L32 HydrophobicContact CD2-CB 4.42Å; L20-L32 HydrophobicContact CD2-CD1 3.91Å; L24-L32 HydrophobicContact CD2-CD1 3.55Å; K28-L32 WeakPolarHBondContact O-CG 3.44Å; K28-L32 PolarHBondContact O-N 2.98Å; K29-L32 PolarHBondContact O-N 3.43Å; L32-K34 PolarHBondContact O-N 2.73Å; L32-K35 PolarHBondContact O-N 3.18Å; L32-N36 PolarHBondContact O-N 2.98Å; L32-L39 HydrophobicContact CB-CD1 4.14Å
33L81Confident79.3Confident68 Ų68112.3 Ų112.336%0.35649%0.487SS..Hα-helixtrans-57-35.7173.8-78.7157.6000112.3L20 K29 L39L20-L33 HydrophobicContact CD1-CD1 4.46Å; L20-L33 HydrophobicContact CD1-CG 4.31Å; K29-L33 WeakPolarHBondContact O-CD1 3.44Å; K29-L33 WeakPolarHBondContact O-CG 3.36Å; K29-L33 PolarHBondContact O-N 2.98Å; L33-L39 HydrophobicContact CD2-CB 4.03Å
34K82.4Confident79.5Confident189 Ų189106.4 Ų106.482%0.82247%0.469SS*.Hα-helixtrans-71.3-30.2174.5-73.4-178.7-178.9-170.80113.8R30 L32R30-K34 WeakPolarHBondContact O-CG 3.1Å; R30-K34 PolarHBondContact O-N 3.36Å; R30-K34 VanDerWaalsContact O-N 3.17Å; L32-K34 PolarHBondContact O-N 2.73Å
35K82.7Confident79.7Confident135 Ų135106 Ų10659%0.58747%0.467SS*.Hα-helixtrans-86.2-40.1-176.1-75.5-178.1174.3-166.40112.7R31 L32R31-K35 WeakPolarHBondContact O-CG 3.48Å; R31-K35 PolarHBondContact O-N 3.08Å; L32-K35 PolarHBondContact O-N 3.18Å
36N80.4Confident79.9Confident63 Ų63102.9 Ų102.934%0.33744%0.444SS..  trans-102.1114.3-170.1-63-14.6000110L32 D38 L39 R40L32-N36 PolarHBondContact O-N 2.98Å; N36-D38 VanDerWaalsContact C-N 3.27Å; N36-D38 PolarHBondContact O-N 3.16Å; N36-L39 HydrophobicContact CB-CB 4.17Å; N36-L39 HydrophobicContact CB-CD1 3.89Å; N36-L39 HydrophobicContact CB-CG 3.91Å; N36-L39 PolarHBondContact O-N 3.43Å; N36-R40 PolarHBondContact O-N 3.33Å
37L77.4Confident80.1Confident96 Ų96102.4 Ų102.450%0.50344%0.442SS..Hα-helixtrans-60.6-38.6175.3-16675.6000111.4L39 R40 R41L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 3.02Å; L37-R40 WeakPolarHBondContact O-CB 3.5Å; L37-R40 PolarHBondContact O-N 3.33Å; L37-R41 HydrophobicContact CG-CG 4.41Å; L37-R41 PolarHBondContact O-N 3.49Å
38D74.4Confident80.1Confident105 Ų10595.8 Ų95.856%0.56142%0.422SS*.Hα-helixtrans-60.7-37.8-179.5-51.4-18.3000112.9K18 N36 R40 R42K18-D38 IonicContact NZ-OD2 2.8Å; N36-D38 VanDerWaalsContact C-N 3.27Å; N36-D38 PolarHBondContact O-N 3.16Å; D38-R40 VanDerWaalsContact C-N 3.32Å; D38-R42 PolarHBondContact O-N 3Å
39L74.1Confident80.3Confident17 Ų1790.6 Ų90.69%0.08940%0.4CS..Hα-helixtrans-71.5-32.4177.6-68.9178.9000111.1K18 L20 L32 L33 N36 L37 R42K18-L39 HydrophobicContact CB-CD2 4.04Å; K18-L39 WeakPolarHBondContact O-CD2 3.41Å; L20-L39 HydrophobicContact CD2-CD1 3.83Å; L20-L39 HydrophobicContact CD2-CD2 4.49Å; L20-L39 HydrophobicContact CG-CD1 4.33Å; L20-L39 HydrophobicContact CG-CD2 4.37Å; L32-L39 HydrophobicContact CB-CD1 4.14Å; L33-L39 HydrophobicContact CD2-CB 4.03Å; N36-L39 HydrophobicContact CB-CB 4.17Å; N36-L39 HydrophobicContact CB-CD1 3.89Å; N36-L39 HydrophobicContact CB-CG 3.91Å; N36-L39 PolarHBondContact O-N 3.43Å; L37-L39 VanDerWaalsContact C-N 3.31Å; L37-L39 PolarHBondContact O-N 3.02Å; L39-R42 WeakPolarHBondContact O-CB 3.5Å
40R72.4Confident80.7Confident202 Ų20289.1 Ų89.176%0.76240%0.397SS*.Hα-helixtrans-76.4-32.8178.8-171.3177.5-178.9-174.4-0.7112.4N36 L37 D38 R42N36-R40 PolarHBondContact O-N 3.33Å; L37-R40 WeakPolarHBondContact O-CB 3.5Å; L37-R40 PolarHBondContact O-N 3.33Å; D38-R40 VanDerWaalsContact C-N 3.32Å; R40-R42 VanDerWaalsContact C-N 3.27Å
41R72.5Confident81.1Confident181 Ų18181.9 Ų81.968%0.68337%0.37SS*.THydrogen-bonded Turntrans-877.8174.9-68-177.5173.2-178.4-4.2112.9L37 I43L37-R41 HydrophobicContact CG-CG 4.41Å; L37-R41 PolarHBondContact O-N 3.49Å; R41-I43 PolarHBondContact O-N 3.48Å
42R74.8Confident81.2Confident62 Ų6276.2 Ų76.223%0.23436%0.355CS..  trans-72.8122178.9-177.2179.3176.2-155.6-11.7109.2D38 L39 R40 E44D38-R42 PolarHBondContact O-N 3Å; L39-R42 WeakPolarHBondContact O-CB 3.5Å; R40-R42 VanDerWaalsContact C-N 3.27Å; R42-E44 HydrophobicContact CG-CG 4.36Å; R42-E44 IonicContact CZ-OE1 3.2Å; R42-E44 IonicContact NE-OE1 2.78Å; R42-E44 PolarHBondContact NE-OE1 2.91Å; R42-E44 IonicContact NH1-OE1 2.7Å; R42-E44 PolarHBondContact NH1-OE1 3.27Å; R42-E44 IonicContact NH2-OE1 2.66Å; R42-E44 PolarHBondContact NH2-OE1 3.13Å; R42-E44 IonicContact NH2-OE2 2.71Å
43I75.6Confident81.5Confident39 Ų3978 Ų7820%0.237%0.365CS..  trans-96.2122.4169.9-59.1164.5000106.4M1 R41 F337 I341M1-I43 HydrophobicContact SD-CD1 4.25Å; R41-I43 PolarHBondContact O-N 3.48Å; I43-F337 HydrophobicContact CG2-CE2 4.43Å; I43-I341 HydrophobicContact CD1-CD1 3.86Å; I43-I341 HydrophobicContact CD1-CG2 3.86Å
44E77.9Confident82.1Confident88 Ų8875.2 Ų75.241%0.41135%0.351SS..  trans-108122.7163.6-66.9179.8-161.100105.7R42R42-E44 HydrophobicContact CG-CG 4.36Å; R42-E44 IonicContact CZ-OE1 3.2Å; R42-E44 IonicContact NE-OE1 2.78Å; R42-E44 PolarHBondContact NE-OE1 2.91Å; R42-E44 IonicContact NH1-OE1 2.7Å; R42-E44 PolarHBondContact NH1-OE1 3.27Å; R42-E44 IonicContact NH2-OE1 2.66Å; R42-E44 PolarHBondContact NH2-OE1 3.13Å; R42-E44 IonicContact NH2-OE2 2.71Å
45L83.9Confident82.6Confident12 Ų1266.2 Ų66.26%0.06331%0.312CS..SBendtrans-69.3-57.3179.7-84.1-171.1000111.7L14 L310 C335 F337 L338L14-L45 HydrophobicContact CB-CD1 4.48Å; L14-L45 HydrophobicContact CB-CG 4.44Å; L14-L45 HydrophobicContact CD1-CD1 3.32Å; L14-L45 HydrophobicContact CD1-CD2 4.36Å; L14-L45 HydrophobicContact CD1-CG 3.78Å; L14-L45 HydrophobicContact CG-CD1 4.5Å; L45-L310 HydrophobicContact CD1-CD1 4.01Å; L45-C335 VanDerWaalsContact CD2-SG 3.58Å; L45-F337 HydrophobicContact CD2-CE1 4.34Å; L45-F337 HydrophobicContact CD2-CE2 4.09Å; L45-F337 HydrophobicContact CD2-CZ 3.47Å; L45-F337 VanDerWaalsContact CD2-CZ 3.47Å; L45-L338 HydrophobicContact CD1-CD1 4.03Å; L45-L338 HydrophobicContact CD2-CD1 3.82Å; L45-L338 HydrophobicContact CD2-CD2 3.6Å; L45-L338 HydrophobicContact CD2-CG 3.78Å; L45-L338 HydrophobicContact CG-CD1 4.47Å
46I87.4Confident83.1Confident7 Ų762.6 Ų62.64%0.03630%0.297CS..SBendtrans-111.7126178.5-61.1168.5000105.8D48 F49 I67 Y80 F312I46-D48 PolarHBondContact O-N 3.35Å; I46-F49 HydrophobicContact CB-CB 3.89Å; I46-F49 HydrophobicContact CB-CD2 4.14Å; I46-F49 HydrophobicContact CB-CG 4.16Å; I46-F49 HydrophobicContact CD1-CD2 4.08Å; I46-F49 HydrophobicContact CD1-CE2 4.2Å; I46-F49 HydrophobicContact CG2-CB 4.04Å; I46-F49 HydrophobicContact CG2-CD2 3.92Å; I46-F49 HydrophobicContact CG2-CG 4.33Å; I46-F49 WeakPolarHBondContact O-CB 3.42Å; I46-F49 PolarHBondContact O-N 3.48Å; I46-I67 HydrophobicContact CD1-CD1 3.76Å; I46-Y80 HydrophobicContact CG2-CD1 3.49Å; I46-Y80 VanDerWaalsContact CG2-CD1 3.49Å; I46-Y80 HydrophobicContact CG2-CE1 4.18Å; I46-Y80 HydrophobicContact CG2-CG 4.02Å; I46-F312 HydrophobicContact CD1-CE1 4.36Å; I46-F312 HydrophobicContact CD1-CZ 4.28Å
47Q86Confident83.6Confident114 Ų11459.7 Ų59.753%0.53328%0.282SS..THydrogen-bonded Turntrans-61.7134.8177.7-172.6-175.3-2700109.9F49 L85Q47-F49 PolarHBondContact O-N 3.37Å; Q47-F49 VanDerWaalsContact O-N 3.16Å; Q47-L85 WeakPolarHBondContact CB-O 3.44Å; Q47-L85 PolarHBondContact N-O 3.44Å
48D84.9Confident84.5Confident74 Ų7455.2 Ų55.240%0.39626%0.258SS..THydrogen-bonded Turntrans57.927.7176.6-60.7-43.6000114.4I46 A50 R78 Y80 M87I46-D48 PolarHBondContact O-N 3.35Å; D48-A50 PolarHBondContact O-N 3.13Å; D48-R78 PolarHBondContact O-NH1 3.25Å; D48-Y80 PolarHBondContact O-OH 3.38Å; D48-M87 HydrophobicContact CB-SD 4.32Å
49F88.9Confident85.4Confident20 Ų2051.7 Ų51.79%0.08824%0.241CC..  trans-72.565.4174.1-159.2-109.1000112.2I46 Q47 I67 Y80 F312 I320 T322I46-F49 HydrophobicContact CB-CB 3.89Å; I46-F49 HydrophobicContact CB-CD2 4.14Å; I46-F49 HydrophobicContact CB-CG 4.16Å; I46-F49 HydrophobicContact CD1-CD2 4.08Å; I46-F49 HydrophobicContact CD1-CE2 4.2Å; I46-F49 HydrophobicContact CG2-CB 4.04Å; I46-F49 HydrophobicContact CG2-CD2 3.92Å; I46-F49 HydrophobicContact CG2-CG 4.33Å; I46-F49 WeakPolarHBondContact O-CB 3.42Å; I46-F49 PolarHBondContact O-N 3.48Å; Q47-F49 PolarHBondContact O-N 3.37Å; Q47-F49 VanDerWaalsContact O-N 3.16Å; F49-I67 HydrophobicContact CE2-CG2 4.08Å; F49-I67 HydrophobicContact CZ-CG2 4.22Å; F49-Y80 HydrophobicContact CB-CE1 4.4Å; F49-Y80 AromaticContact CD2-CD1 3.87Å; F49-Y80 HydrophobicContact CD2-CD1 3.87Å; F49-Y80 AromaticContact CD2-CD2 3.63Å; F49-Y80 HydrophobicContact CD2-CD2 3.63Å; F49-Y80 AromaticContact CD2-CE1 3.72Å; F49-Y80 HydrophobicContact CD2-CE1 3.72Å; F49-Y80 AromaticContact CD2-CE2 3.46Å; F49-Y80 HydrophobicContact CD2-CE2 3.46Å; F49-Y80 VanDerWaalsContact CD2-CE2 3.46Å; F49-Y80 AromaticContact CD2-CG 3.82Å; F49-Y80 HydrophobicContact CD2-CG 3.82Å; F49-Y80 AromaticContact CD2-CZ 3.49Å; F49-Y80 VanDerWaalsContact CD2-CZ 3.49Å; F49-Y80 AromaticContact CE2-CD2 3.51Å; F49-Y80 HydrophobicContact CE2-CD2 3.51Å; F49-Y80 AromaticContact CE2-CE2 3.52Å; F49-Y80 HydrophobicContact CE2-CE2 3.52Å; F49-Y80 HydrophobicContact CE2-CG 4.03Å; F49-F312 AromaticContact CE1-CD1 3.73Å; F49-F312 HydrophobicContact CE1-CD1 3.73Å; F49-F312 HydrophobicContact CE1-CE1 4Å; F49-F312 AromaticContact CZ-CD1 3.84Å; F49-F312 HydrophobicContact CZ-CD1 3.84Å; F49-F312 HydrophobicContact CZ-CE1 4.04Å; F49-I320 HydrophobicContact CD1-CB 3.8Å; F49-I320 HydrophobicContact CD1-CD1 4.25Å; F49-I320 HydrophobicContact CD1-CG2 4.22Å; F49-I320 HydrophobicContact CE1-CB 3.51Å; F49-I320 HydrophobicContact CE1-CD1 3.89Å; F49-I320 HydrophobicContact CE1-CG1 4.29Å; F49-I320 HydrophobicContact CE1-CG2 3.41Å; F49-I320 VanDerWaalsContact CE1-CG2 3.41Å; F49-I320 HydrophobicContact CE2-CD1 4.27Å; F49-I320 HydrophobicContact CZ-CB 4.31Å; F49-I320 HydrophobicContact CZ-CD1 3.89Å; F49-I320 HydrophobicContact CZ-CG2 4.02Å; F49-T322 HydrophobicContact CD1-CG2 3.82Å; F49-T322 HydrophobicContact CE1-CG2 3.75Å
50A88.8Confident86.3Confident19 Ų1952 Ų5216%0.15725%0.246CC..BIsolated β-bridgetrans-142.2159.2-177.300000109.3D48 R78 Y80 Q318 K319D48-A50 PolarHBondContact O-N 3.13Å; A50-R78 PolarHBondContact O-NH1 2.93Å; A50-Y80 PolarHBondContact O-OH 3.14Å; A50-Q318 CarbonylContact C-O 3.51Å; A50-Q318 WeakPolarHBondContact CA-O 3.41Å; A50-Q318 VanDerWaalsContact CB-O 3.24Å; A50-Q318 WeakPolarHBondContact CB-O 3.36Å; A50-K319 HydrophobicContact CB-CG 4.49Å
51M89.7Confident87.3Confident1 Ų142.5 Ų42.51%0.00521%0.211CC..  trans-117.5149.1166.2-68.7-57.9158.300108.4D53 A54 A69 R76 R78 Q318 I320M51-D53 PolarHBondContact O-N 3.42Å; M51-D53 VanDerWaalsContact O-N 3.16Å; M51-A54 WeakPolarHBondContact CB-O 3.31Å; M51-A69 HydrophobicContact CE-CB 3.41Å; M51-A69 VanDerWaalsContact CE-CB 3.41Å; M51-A69 WeakPolarHBondContact CE-O 3.41Å; M51-R76 HydrophobicContact SD-CG 4.42Å; M51-R78 HydrophobicContact CE-CB 3.88Å; M51-R78 HydrophobicContact CE-CG 3.88Å; M51-R78 HydrophobicContact SD-CG 4.35Å; M51-Q318 PolarHBondContact N-O 3.07Å; M51-Q318 CarbonylContact O-C 3.57Å; M51-Q318 WeakPolarHBondContact O-CA 2.88Å; M51-Q318 WeakPolarHBondContact O-CG 3.23Å; M51-I320 HydrophobicContact CE-CD1 4.26Å; M51-I320 HydrophobicContact CG-CD1 4.47Å
52P87.3Confident88.1Confident48 Ų4837.5 Ų37.531%0.31221%0.208SC..SBendtrans-56.4-32.5-176.919-32.7000114.9Y73P52-Y73 HydrophobicContact CB-CD1 4Å; P52-Y73 HydrophobicContact CG-CD1 4.05Å; P52-Y73 HydrophobicContact CG-CG 4.47Å
53D89.6Confident88.7Confident98 Ų9837.8 Ų37.852%0.52421%0.214SC..SBendtrans-131.5-76.4-174-178.233.1000111M51 T72 K317 Q318M51-D53 PolarHBondContact O-N 3.42Å; M51-D53 VanDerWaalsContact O-N 3.16Å; D53-T72 PolarHBondContact OD2-OG1 3.11Å; D53-K317 CarbonylContact O-C 3.6Å; D53-Q318 PolarHBondContact O-N 3.22Å; D53-Q318 VanDerWaalsContact O-N 3.14Å
54A92.3Very high89.3Confident9 Ų940.6 Ų40.67%0.07422%0.222CC..  trans-131.3163.5176.300000111.7M51 G71 T72M51-A54 WeakPolarHBondContact CB-O 3.31Å; A54-G71 VanDerWaalsContact O-CA 3.22Å; A54-G71 WeakPolarHBondContact O-CA 3.34Å; A54-T72 HydrophobicContact CB-CG2 4.06Å; A54-T72 PolarHBondContact N-OG1 3.46Å; A54-T72 PolarHBondContact O-N 2.96Å
55S93.4Very high90Very high0 Ų037.8 Ų37.80%021%0.21CC..EExtended strand (participates in β ladder)trans-117.8132.3172.851.80000110.4A70 N300 A314 N315S55-A70 VanDerWaalsContact CA-O 3.29Å; S55-A70 WeakPolarHBondContact CA-O 3.33Å; S55-N300 PolarHBondContact O-ND2 3.05Å; S55-A314 WeakPolarHBondContact OG-CA 3.2Å; S55-N315 PolarHBondContact N-O 3.02Å; S55-N315 PolarHBondContact O-N 2.91Å; S55-N315 PolarHBondContact OG-N 3.31Å; S55-N315 PolarHBondContact OG-O 2.72Å; S55-N315 VanDerWaalsContact OG-O 3.1Å; S55-N315 PolarHBondContact OG-OD1 3.07Å
56H92.4Very high90.5Very high60 Ų6039.1 Ų39.128%0.27821%0.214SC..EExtended strand (participates in β ladder)trans-94.2-54.2-178.5-81.3-57.1000112.4A70 T72 V97 N300 D301 A314H56-A70 PolarHBondContact N-O 2.95Å; H56-T72 VanDerWaalsContact CD2-CG2 3.41Å; H56-T72 WeakPolarHBondContact CD2-CG2 3.26Å; H56-T72 WeakPolarHBondContact NE2-CG2 3.48Å; H56-V97 WeakPolarHBondContact CB-O 3.47Å; H56-N300 WeakPolarHBondContact O-CB 3.48Å; H56-D301 WeakPolarHBondContact O-CB 3.35Å; H56-A314 WeakPolarHBondContact O-CB 3.48Å
57A92.8Very high90.8Very high1 Ų138.9 Ų38.91%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-134.8144.9-174.800000110.9A69 A70 M100 D301A57-A69 WeakPolarHBondContact O-CA 3.37Å; A57-A70 PolarHBondContact O-N 3.04Å; A57-M100 HydrophobicContact CB-CE 3.91Å; A57-M100 VanDerWaalsContact O-CE 3.3Å; A57-M100 WeakPolarHBondContact O-CE 3.48Å; A57-D301 WeakPolarHBondContact CA-OD2 3.43Å
58V94.4Very high91.2Very high2 Ų233.7 Ų33.71%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-132.7130.7174.7176.80000107.8I67 Y68 A69 D301 C303 F312 A314 I320V58-I67 HydrophobicContact CG1-CG2 3.84Å; V58-Y68 CarbonylContact C-O 3.4Å; V58-Y68 VanDerWaalsContact CA-O 3.32Å; V58-Y68 WeakPolarHBondContact CA-O 3.45Å; V58-A69 HydrophobicContact CG2-CB 4.02Å; V58-D301 PolarHBondContact N-OD2 2.94Å; V58-D301 VanDerWaalsContact N-OD2 3.17Å; V58-C303 HydrophobicContact CB-CB 4.27Å; V58-C303 HydrophobicContact CG1-CB 4.02Å; V58-C303 VanDerWaalsContact O-CB 3.28Å; V58-C303 WeakPolarHBondContact O-CB 3.37Å; V58-F312 HydrophobicContact CG1-CB 3.92Å; V58-F312 HydrophobicContact CG1-CG 4.5Å; V58-A314 HydrophobicContact CG2-CB 3.98Å; V58-I320 HydrophobicContact CG2-CD1 4.18Å; V58-I320 HydrophobicContact CG2-CG2 4.02Å
59V94.3Very high91.7Very high31 Ų3130.2 Ų30.219%0.18817%0.17CC..EExtended strand (participates in β ladder)trans-137.7129.2-177.3-176.60000109.5I67 Y68 M100 I102V59-I67 WeakPolarHBondContact O-CA 3.39Å; V59-Y68 PolarHBondContact N-O 3.29Å; V59-Y68 PolarHBondContact O-N 3.16Å; V59-M100 HydrophobicContact CG2-CB 4.07Å; V59-M100 WeakPolarHBondContact CG2-O 3.41Å; V59-I102 HydrophobicContact CG1-CD1 3.94Å; V59-I102 HydrophobicContact CG1-CG1 4.05Å
60A93Very high92Very high24 Ų2429.3 Ų29.320%0.19817%0.167CC..EExtended strand (participates in β ladder)trans-92.9145172.100000110.6I67 C303A60-I67 HydrophobicContact CB-CG1 4.46Å; A60-C303 PolarHBondContact N-SG 3.03Å
61S93Very high92.3Very high3 Ų328.6 Ų28.62%0.02116%0.161CC..  trans-66.3153173.1-138.90000111.6D63 R64 Y66 E105 G106S61-D63 PolarHBondContact O-N 3.19Å; S61-R64 PolarHBondContact O-N 3.44Å; S61-Y66 WeakPolarHBondContact CB-O 3.31Å; S61-Y66 PolarHBondContact N-O 2.94Å; S61-E105 PolarHBondContact OG-O 2.9Å; S61-G106 VanDerWaalsContact OG-C 3.3Å; S61-G106 WeakPolarHBondContact OG-CA 3.28Å; S61-G106 PolarHBondContact OG-O 2.85Å
62A89.1Confident92.3Very high76 Ų7629.6 Ų29.663%0.62817%0.167SC*.THydrogen-bonded Turntrans-58.1-37.7172.500000111.8R64 E105A62-R64 WeakPolarHBondContact O-CG 3.49Å; A62-R64 PolarHBondContact O-N 2.93Å; A62-R64 VanDerWaalsContact O-N 3.16Å; A62-E105 PolarHBondContact N-O 2.87Å
63D88.4Confident92.6Very high68 Ų6834.5 Ų34.536%0.36418%0.18SC..THydrogen-bonded Turntrans-67.3-8.9174.7-75.6-13.2000115.1S61 N65 E105S61-D63 PolarHBondContact O-N 3.19Å; D63-N65 PolarHBondContact O-N 3.42Å; D63-N65 PolarHBondContact O-ND2 2.92Å; D63-N65 VanDerWaalsContact O-ND2 3.14Å; D63-E105 WeakPolarHBondContact CB-O 3.44Å; D63-E105 VanDerWaalsContact CG-O 3.23Å; D63-E105 PolarHBondContact N-O 3.41Å; D63-E105 VanDerWaalsContact N-O 3.11Å
64R88.5Confident92.8Very high98 Ų9835.9 Ų35.937%0.3718%0.182SC..SBendtrans62.27-178.5-42.4177.8-167.5-166.2-1.5115.2S61 A62 P306 D307S61-R64 PolarHBondContact O-N 3.44Å; A62-R64 WeakPolarHBondContact O-CG 3.49Å; A62-R64 PolarHBondContact O-N 2.93Å; A62-R64 VanDerWaalsContact O-N 3.16Å; R64-P306 HydrophobicContact CG-CG 4.01Å; R64-P306 PolarHBondContact NH1-O 2.73Å; R64-D307 IonicContact CZ-OD2 3.99Å; R64-D307 IonicContact NH1-OD2 3.57Å; R64-D307 PolarHBondContact NH1-OD2 3.12Å; R64-D307 IonicContact NH2-OD2 3.22Å; R64-D307 PolarHBondContact NH2-OD2 3.41Å
65N91.2Very high92.8Very high29 Ų2936.6 Ų36.616%0.15519%0.185CC..SBendtrans-95.3-14.4-178.5-63-53.9000113.5D63 V82 R83D63-N65 PolarHBondContact O-N 3.42Å; D63-N65 PolarHBondContact O-ND2 2.92Å; D63-N65 VanDerWaalsContact O-ND2 3.14Å; N65-V82 WeakPolarHBondContact O-CB 3.5Å; N65-V82 VanDerWaalsContact O-CG2 3.24Å; N65-V82 WeakPolarHBondContact O-CG2 3.41Å; N65-V82 PolarHBondContact O-N 2.96Å; N65-R83 PolarHBondContact ND2-NH2 3.26Å; N65-R83 PolarHBondContact OD1-NE 3.15Å; N65-R83 PolarHBondContact OD1-NH2 3.49Å
66Y94.2Very high92.7Very high39 Ų3938.2 Ų38.215%0.15319%0.191CC..EExtended strand (participates in β ladder)trans-129.9141.4-176.3-57.9-76.2000111.2S61 Y80 D81 K88 F107S61-Y66 WeakPolarHBondContact CB-O 3.31Å; S61-Y66 PolarHBondContact N-O 2.94Å; Y66-Y80 WeakPolarHBondContact CA-O 3.4Å; Y66-D81 HydrophobicContact CD1-CB 4.47Å; Y66-D81 HydrophobicContact CE1-CB 4.25Å; Y66-D81 VanDerWaalsContact CE1-OD2 3.3Å; Y66-D81 WeakPolarHBondContact CE1-OD2 3.48Å; Y66-K88 HydrophobicContact CD1-CD 4.49Å; Y66-K88 HydrophobicContact CE1-CD 4.02Å; Y66-K88 VanDerWaalsContact CE1-NZ 3.32Å; Y66-K88 PolarHBondContact OH-NZ 2.87Å; Y66-F107 HydrophobicContact CD1-CB 3.95Å; Y66-F107 AromaticContact CD1-CD1 3.83Å; Y66-F107 HydrophobicContact CD1-CD1 3.83Å; Y66-F107 HydrophobicContact CD1-CG 4.07Å; Y66-F107 HydrophobicContact CD2-CB 3.97Å; Y66-F107 AromaticContact CD2-CD1 3.83Å; Y66-F107 HydrophobicContact CD2-CD1 3.83Å; Y66-F107 HydrophobicContact CD2-CG 4.37Å; Y66-F107 HydrophobicContact CE1-CB 4.45Å; Y66-F107 AromaticContact CE1-CD1 3.45Å; Y66-F107 HydrophobicContact CE1-CD1 3.45Å; Y66-F107 VanDerWaalsContact CE1-CD1 3.45Å; Y66-F107 AromaticContact CE1-CE1 3.94Å; Y66-F107 HydrophobicContact CE1-CE1 3.94Å; Y66-F107 HydrophobicContact CE1-CG 4.1Å; Y66-F107 HydrophobicContact CE2-CB 4.49Å; Y66-F107 AromaticContact CE2-CD1 3.46Å; Y66-F107 HydrophobicContact CE2-CD1 3.46Å; Y66-F107 VanDerWaalsContact CE2-CD1 3.46Å; Y66-F107 HydrophobicContact CE2-CE1 4.17Å; Y66-F107 HydrophobicContact CE2-CG 4.41Å; Y66-F107 HydrophobicContact CG-CB 3.67Å; Y66-F107 AromaticContact CG-CD1 3.99Å; Y66-F107 HydrophobicContact CG-CD1 3.99Å; Y66-F107 HydrophobicContact CG-CG 4.19Å; Y66-F107 AromaticContact CZ-CD1 3.24Å; Y66-F107 AromaticContact CZ-CE1 3.62Å; Y66-F107 WeakPolarHBondContact OH-CE1 3.3Å
67I94.7Very high92.8Very high3 Ų335.5 Ų35.52%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-127.6128.7174.6-60.8163.1000108.1I46 F49 V58 V59 A60 C79 Y80 V82 F312I46-I67 HydrophobicContact CD1-CD1 3.76Å; F49-I67 HydrophobicContact CE2-CG2 4.08Å; F49-I67 HydrophobicContact CZ-CG2 4.22Å; V58-I67 HydrophobicContact CG1-CG2 3.84Å; V59-I67 WeakPolarHBondContact O-CA 3.39Å; A60-I67 HydrophobicContact CB-CG1 4.46Å; I67-C79 CarbonylContact O-C 3.57Å; I67-C79 WeakPolarHBondContact O-CA 3.48Å; I67-Y80 PolarHBondContact N-O 2.99Å; I67-Y80 VanDerWaalsContact N-O 3.08Å; I67-Y80 PolarHBondContact O-N 3.37Å; I67-V82 HydrophobicContact CB-CG2 4.46Å; I67-V82 HydrophobicContact CD1-CG2 3.54Å; I67-V82 HydrophobicContact CG1-CG2 3.66Å; I67-F312 HydrophobicContact CD1-CD2 4.28Å; I67-F312 HydrophobicContact CD1-CE1 4.22Å; I67-F312 HydrophobicContact CD1-CE2 3.38Å; I67-F312 HydrophobicContact CD1-CZ 3.35Å; I67-F312 HydrophobicContact CG1-CE2 4.26Å
68Y95Very high92.9Very high5 Ų537 Ų372%0.0219%0.185CC..EExtended strand (participates in β ladder)trans-100.9137.8170.1-81.4-81000110.1V58 V59 I77 R78 C79 F89 I102 F107 V110V58-Y68 CarbonylContact C-O 3.4Å; V58-Y68 VanDerWaalsContact CA-O 3.32Å; V58-Y68 WeakPolarHBondContact CA-O 3.45Å; V59-Y68 PolarHBondContact N-O 3.29Å; V59-Y68 PolarHBondContact O-N 3.16Å; Y68-I77 HydrophobicContact CD1-CG2 3.54Å; Y68-I77 HydrophobicContact CE1-CG2 4.09Å; Y68-R78 WeakPolarHBondContact CA-O 3.42Å; Y68-C79 HydrophobicContact CD1-CB 3.96Å; Y68-C79 HydrophobicContact CE1-CB 3.52Å; Y68-F89 HydrophobicContact CE1-CE2 4.38Å; Y68-F89 AromaticContact CE1-CZ 3.99Å; Y68-F89 HydrophobicContact CE1-CZ 3.99Å; Y68-I102 HydrophobicContact CD2-CD1 3.68Å; Y68-I102 HydrophobicContact CD2-CG1 3.85Å; Y68-I102 HydrophobicContact CE2-CD1 4.27Å; Y68-I102 HydrophobicContact CE2-CG1 4.28Å; Y68-F107 HydrophobicContact CE2-CB 3.73Å; Y68-F107 PolarHBondContact OH-O 3.09Å; Y68-V110 HydrophobicContact CD2-CG2 4.03Å; Y68-V110 HydrophobicContact CE1-CG2 4.04Å; Y68-V110 HydrophobicContact CE2-CG2 3.42Å; Y68-V110 VanDerWaalsContact CE2-CG2 3.42Å; Y68-V110 VanDerWaalsContact CZ-CG2 3.42Å
69A95.3Very high92.9Very high0 Ų037 Ų370%018%0.184CC..EExtended strand (participates in β ladder)trans-136.3135.4171.600000110.4M51 A57 V58 I77 R78 Y80 I320M51-A69 HydrophobicContact CE-CB 3.41Å; M51-A69 VanDerWaalsContact CE-CB 3.41Å; M51-A69 WeakPolarHBondContact CE-O 3.41Å; A57-A69 WeakPolarHBondContact O-CA 3.37Å; V58-A69 HydrophobicContact CG2-CB 4.02Å; A69-I77 WeakPolarHBondContact O-CA 3.37Å; A69-R78 PolarHBondContact N-O 3.47Å; A69-R78 PolarHBondContact O-N 2.97Å; A69-Y80 HydrophobicContact CB-CE2 4.05Å; A69-I320 HydrophobicContact CB-CD1 3.58Å
70A95.4Very high93Very high2 Ų235.5 Ų35.52%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-104.2138.5177.100000111S55 H56 A57 R76 I77 V97 M100S55-A70 VanDerWaalsContact CA-O 3.29Å; S55-A70 WeakPolarHBondContact CA-O 3.33Å; H56-A70 PolarHBondContact N-O 2.95Å; A57-A70 PolarHBondContact O-N 3.04Å; A70-R76 WeakPolarHBondContact CA-O 3.49Å; A70-I77 HydrophobicContact CB-CG1 4.27Å; A70-V97 HydrophobicContact CB-CB 4.01Å; A70-V97 HydrophobicContact CB-CG1 4.35Å; A70-V97 HydrophobicContact CB-CG2 4.46Å; A70-M100 HydrophobicContact CB-CE 3.55Å; A70-M100 HydrophobicContact CB-SD 3.83Å
71G93.5Very high93.1Very high3 Ų335 Ų353%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-126.4157.4176.100000113.3A54 P75 R76A54-G71 VanDerWaalsContact O-CA 3.22Å; A54-G71 WeakPolarHBondContact O-CA 3.34Å; G71-P75 WeakPolarHBondContact O-CA 3.26Å; G71-R76 PolarHBondContact N-O 2.79Å; G71-R76 PolarHBondContact O-N 3.41Å; G71-R76 VanDerWaalsContact O-N 3.15Å
72T91.4Very high93Very high22 Ų2234.9 Ų34.914%0.13517%0.168CC..THydrogen-bonded Turntrans-77.1-50.6-173.747.30000114.4D53 A54 H56 K74 P75 D96D53-T72 PolarHBondContact OD2-OG1 3.11Å; A54-T72 HydrophobicContact CB-CG2 4.06Å; A54-T72 PolarHBondContact N-OG1 3.46Å; A54-T72 PolarHBondContact O-N 2.96Å; H56-T72 VanDerWaalsContact CD2-CG2 3.41Å; H56-T72 WeakPolarHBondContact CD2-CG2 3.26Å; H56-T72 WeakPolarHBondContact NE2-CG2 3.48Å; T72-K74 PolarHBondContact O-N 3.22Å; T72-P75 WeakPolarHBondContact O-CD 3.44Å; T72-D96 WeakPolarHBondContact CA-OD1 3.35Å
73Y92.6Very high93.1Very high152 Ų15239.4 Ų39.460%0.59617%0.169SC*.THydrogen-bonded Turntrans-76.4116.7-168.4175.8-96.3000112.4P52 R76P52-Y73 HydrophobicContact CB-CD1 4Å; P52-Y73 HydrophobicContact CG-CD1 4.05Å; P52-Y73 HydrophobicContact CG-CG 4.47Å; Y73-R76 PolarHBondContact O-NE 3.01Å; Y73-R76 PolarHBondContact O-NH2 2.74Å
74K93.3Very high93.2Very high127 Ų12741.7 Ų41.755%0.55218%0.181SC*.THydrogen-bonded Turntrans49.380.7-163.3-178.1-167-174.3-164.70106.6T72 R76 C92T72-K74 PolarHBondContact O-N 3.22Å; K74-R76 WeakPolarHBondContact O-CB 3.45Å; K74-R76 PolarHBondContact O-N 3.08Å; K74-R76 VanDerWaalsContact O-N 3.12Å; K74-R76 PolarHBondContact O-NE 2.9Å; K74-C92 WeakPolarHBondContact CE-SG 3.35Å; K74-C92 HydrophobicContact CG-CB 4.46Å
75P92Very high93.3Very high23 Ų2339.5 Ų39.515%0.14918%0.177CC..THydrogen-bonded Turntrans-41.6120.2-161.9-28.629.9000109.7G71 T72 C92 I93 S95 D96G71-P75 WeakPolarHBondContact O-CA 3.26Å; T72-P75 WeakPolarHBondContact O-CD 3.44Å; P75-C92 CarbonylContact O-C 3.58Å; P75-C92 VanDerWaalsContact O-CA 3.28Å; P75-C92 WeakPolarHBondContact O-CA 3.35Å; P75-I93 HydrophobicContact CB-CB 4.39Å; P75-I93 PolarHBondContact O-N 3.45Å; P75-S95 WeakPolarHBondContact CB-O 3.41Å; P75-D96 WeakPolarHBondContact CG-OD1 3.37Å
76R92.9Very high93.3Very high34 Ų3439.7 Ų39.713%0.12818%0.18CC..EExtended strand (participates in β ladder)trans-140.7149.6-170.266.8-173.469.3-161.915.1111.3M51 A70 G71 Y73 K74 E90 R91M51-R76 HydrophobicContact SD-CG 4.42Å; A70-R76 WeakPolarHBondContact CA-O 3.49Å; G71-R76 PolarHBondContact N-O 2.79Å; G71-R76 PolarHBondContact O-N 3.41Å; G71-R76 VanDerWaalsContact O-N 3.15Å; Y73-R76 PolarHBondContact O-NE 3.01Å; Y73-R76 PolarHBondContact O-NH2 2.74Å; K74-R76 WeakPolarHBondContact O-CB 3.45Å; K74-R76 PolarHBondContact O-N 3.08Å; K74-R76 VanDerWaalsContact O-N 3.12Å; K74-R76 PolarHBondContact O-NE 2.9Å; R76-E90 HydrophobicContact CB-CG 4.35Å; R76-E90 VanDerWaalsContact CD-OE1 3.28Å; R76-E90 WeakPolarHBondContact CD-OE1 3.39Å; R76-E90 IonicContact CZ-OE1 3.91Å; R76-E90 IonicContact NE-OE1 3.36Å; R76-E90 IonicContact NH1-OE1 2.75Å; R76-E90 PolarHBondContact NH1-OE1 3.39Å; R76-E90 IonicContact NH1-OE2 2.57Å; R76-R91 CarbonylContact C-O 3.5Å; R76-R91 WeakPolarHBondContact CA-O 3.43Å; R76-R91 VanDerWaalsContact CB-O 3.3Å; R76-R91 WeakPolarHBondContact CB-O 3.42Å
77I94.2Very high93.2Very high3 Ų340.7 Ų40.72%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-118130.7173.8-66.1-175000108.6Y68 A69 A70 E90 R91 I93 V97 M100 M112Y68-I77 HydrophobicContact CD1-CG2 3.54Å; Y68-I77 HydrophobicContact CE1-CG2 4.09Å; A69-I77 WeakPolarHBondContact O-CA 3.37Å; A70-I77 HydrophobicContact CB-CG1 4.27Å; I77-E90 CarbonylContact O-C 3.54Å; I77-E90 WeakPolarHBondContact O-CA 3.48Å; I77-R91 PolarHBondContact N-O 2.88Å; I77-R91 PolarHBondContact O-N 2.98Å; I77-I93 HydrophobicContact CB-CD1 4.45Å; I77-I93 HydrophobicContact CD1-CD1 3.19Å; I77-I93 HydrophobicContact CD1-CG1 4.5Å; I77-I93 HydrophobicContact CG1-CD1 3.54Å; I77-V97 HydrophobicContact CD1-CG2 4.27Å; I77-M100 HydrophobicContact CD1-SD 3.62Å; I77-M100 HydrophobicContact CG1-SD 4.17Å; I77-M112 HydrophobicContact CD1-CE 3.24Å; I77-M112 HydrophobicContact CD1-CG 3.65Å; I77-M112 HydrophobicContact CD1-SD 3.12Å; I77-M112 WeakPolarHBondContact CD1-SD 3.4Å
78R94.7Very high93.2Very high34 Ų3444.6 Ų44.613%0.12820%0.204CC..EExtended strand (participates in β ladder)trans-108.4130.2170.6-64.1-179169.4-176.2-9.3108.7D48 A50 M51 Y68 A69 Y80 E90D48-R78 PolarHBondContact O-NH1 3.25Å; A50-R78 PolarHBondContact O-NH1 2.93Å; M51-R78 HydrophobicContact CE-CB 3.88Å; M51-R78 HydrophobicContact CE-CG 3.88Å; M51-R78 HydrophobicContact SD-CG 4.35Å; Y68-R78 WeakPolarHBondContact CA-O 3.42Å; A69-R78 PolarHBondContact N-O 3.47Å; A69-R78 PolarHBondContact O-N 2.97Å; R78-Y80 HydrophobicContact CB-CD2 4.37Å; R78-Y80 HydrophobicContact CB-CE2 3.6Å; R78-Y80 WeakPolarHBondContact CD-OH 3.09Å; R78-E90 HydrophobicContact CG-CB 4.22Å; R78-E90 HydrophobicContact CG-CG 3.94Å; R78-E90 IonicContact CZ-OE2 3.14Å; R78-E90 IonicContact NE-OE2 3.35Å; R78-E90 PolarHBondContact NE-OE2 3.06Å; R78-E90 IonicContact NH2-OE2 3.47Å; R78-E90 PolarHBondContact NH2-OE2 3.15Å
79C94.9Very high93.1Very high0 Ų046.3 Ų46.30%021%0.212CC..EExtended strand (participates in β ladder)trans-100.2127.4166-173.70000107.6I67 Y68 K88 F89I67-C79 CarbonylContact O-C 3.57Å; I67-C79 WeakPolarHBondContact O-CA 3.48Å; Y68-C79 HydrophobicContact CD1-CB 3.96Å; Y68-C79 HydrophobicContact CE1-CB 3.52Å; C79-K88 WeakPolarHBondContact O-CB 3.3Å; C79-K88 PolarHBondContact O-N 3.29Å; C79-F89 HydrophobicContact CB-CD1 3.92Å; C79-F89 HydrophobicContact CB-CD2 4.21Å; C79-F89 HydrophobicContact CB-CE1 3.48Å; C79-F89 VanDerWaalsContact CB-CE1 3.48Å; C79-F89 HydrophobicContact CB-CE2 3.82Å; C79-F89 HydrophobicContact CB-CG 4.26Å; C79-F89 HydrophobicContact CB-CZ 3.44Å; C79-F89 VanDerWaalsContact CB-CZ 3.44Å; C79-F89 PolarHBondContact N-O 3.01Å; C79-F89 PolarHBondContact O-N 3.35Å
80Y95.2Very high93Very high0 Ų049.3 Ų49.30%023%0.226CC..EExtended strand (participates in β ladder)trans-106.5129.5175.6-59.4-86.6000108.9I46 D48 F49 A50 Y66 I67 A69 R78 S86 M87I46-Y80 HydrophobicContact CG2-CD1 3.49Å; I46-Y80 VanDerWaalsContact CG2-CD1 3.49Å; I46-Y80 HydrophobicContact CG2-CE1 4.18Å; I46-Y80 HydrophobicContact CG2-CG 4.02Å; D48-Y80 PolarHBondContact O-OH 3.38Å; F49-Y80 HydrophobicContact CB-CE1 4.4Å; F49-Y80 AromaticContact CD2-CD1 3.87Å; F49-Y80 HydrophobicContact CD2-CD1 3.87Å; F49-Y80 AromaticContact CD2-CD2 3.63Å; F49-Y80 HydrophobicContact CD2-CD2 3.63Å; F49-Y80 AromaticContact CD2-CE1 3.72Å; F49-Y80 HydrophobicContact CD2-CE1 3.72Å; F49-Y80 AromaticContact CD2-CE2 3.46Å; F49-Y80 HydrophobicContact CD2-CE2 3.46Å; F49-Y80 VanDerWaalsContact CD2-CE2 3.46Å; F49-Y80 AromaticContact CD2-CG 3.82Å; F49-Y80 HydrophobicContact CD2-CG 3.82Å; F49-Y80 AromaticContact CD2-CZ 3.49Å; F49-Y80 VanDerWaalsContact CD2-CZ 3.49Å; F49-Y80 AromaticContact CE2-CD2 3.51Å; F49-Y80 HydrophobicContact CE2-CD2 3.51Å; F49-Y80 AromaticContact CE2-CE2 3.52Å; F49-Y80 HydrophobicContact CE2-CE2 3.52Å; F49-Y80 HydrophobicContact CE2-CG 4.03Å; A50-Y80 PolarHBondContact O-OH 3.14Å; Y66-Y80 WeakPolarHBondContact CA-O 3.4Å; I67-Y80 PolarHBondContact N-O 2.99Å; I67-Y80 VanDerWaalsContact N-O 3.08Å; I67-Y80 PolarHBondContact O-N 3.37Å; A69-Y80 HydrophobicContact CB-CE2 4.05Å; R78-Y80 HydrophobicContact CB-CD2 4.37Å; R78-Y80 HydrophobicContact CB-CE2 3.6Å; R78-Y80 WeakPolarHBondContact CD-OH 3.09Å; Y80-S86 WeakPolarHBondContact CA-O 3.38Å; Y80-M87 HydrophobicContact CD1-CB 3.91Å; Y80-M87 HydrophobicContact CE1-CB 3.89Å
81D94.7Very high92.9Very high15 Ų1551.3 Ų51.38%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-87.8117167.3-160.5-37.5000107.6Y66 R83 D84 L85 S86 K88Y66-D81 HydrophobicContact CD1-CB 4.47Å; Y66-D81 HydrophobicContact CE1-CB 4.25Å; Y66-D81 VanDerWaalsContact CE1-OD2 3.3Å; Y66-D81 WeakPolarHBondContact CE1-OD2 3.48Å; D81-R83 VanDerWaalsContact C-N 3.3Å; D81-R83 PolarHBondContact OD1-N 2.95Å; D81-R83 VanDerWaalsContact OD1-N 3.1Å; D81-D84 HydrophobicContact CB-CB 4.4Å; D81-L85 PolarHBondContact O-N 3.09Å; D81-L85 VanDerWaalsContact O-N 3.07Å; D81-S86 PolarHBondContact N-O 3.31Å; D81-S86 PolarHBondContact O-N 3.15Å; D81-K88 HydrophobicContact CB-CB 4.25Å; D81-K88 HydrophobicContact CB-CD 4.39Å; D81-K88 IonicContact OD2-NZ 3.83Å
82V92Very high92.9Very high0 Ų054 Ų540%025%0.25CS..THydrogen-bonded Turntrans-78-23-171.6-179.40000110.9N65 I67 L85 W334N65-V82 WeakPolarHBondContact O-CB 3.5Å; N65-V82 VanDerWaalsContact O-CG2 3.24Å; N65-V82 WeakPolarHBondContact O-CG2 3.41Å; N65-V82 PolarHBondContact O-N 2.96Å; I67-V82 HydrophobicContact CB-CG2 4.46Å; I67-V82 HydrophobicContact CD1-CG2 3.54Å; I67-V82 HydrophobicContact CG1-CG2 3.66Å; V82-L85 WeakPolarHBondContact O-CD2 3.4Å; V82-W334 HydrophobicContact CB-CD2 4.4Å; V82-W334 HydrophobicContact CG1-CB 4.14Å; V82-W334 HydrophobicContact CG1-CD2 2.95Å; V82-W334 HydrophobicContact CG1-CE3 3.22Å; V82-W334 HydrophobicContact CG1-CG 3.35Å; V82-W334 HydrophobicContact CG1-CH2 3.72Å; V82-W334 HydrophobicContact CG1-CZ2 3.47Å; V82-W334 VanDerWaalsContact CG1-CZ2 3.47Å; V82-W334 HydrophobicContact CG1-CZ3 3.56Å
83R90.5Very high92.9Very high170 Ų17053.5 Ų53.564%0.64225%0.247SC*.THydrogen-bonded Turntrans-72.6-40.7175.1-64.2-177.3179.5179.52.1111.6N65 D81 L85N65-R83 PolarHBondContact ND2-NH2 3.26Å; N65-R83 PolarHBondContact OD1-NE 3.15Å; N65-R83 PolarHBondContact OD1-NH2 3.49Å; D81-R83 VanDerWaalsContact C-N 3.3Å; D81-R83 PolarHBondContact OD1-N 2.95Å; D81-R83 VanDerWaalsContact OD1-N 3.1Å; R83-L85 VanDerWaalsContact C-N 3.29Å
84D91Very high92.9Very high116 Ų11652.8 Ų52.862%0.6225%0.253SS*.THydrogen-bonded Turntrans-88.21.6178.7-67.6-17.2000112.7D81 S86D81-D84 HydrophobicContact CB-CB 4.4Å; D84-S86 WeakPolarHBondContact O-CB 3.24Å; D84-S86 PolarHBondContact O-N 3.49Å; D84-S86 PolarHBondContact O-OG 2.76Å; D84-S86 VanDerWaalsContact O-OG 3.1Å
85L90.1Very high92.8Very high52 Ų5247.1 Ų47.127%0.27223%0.23SC..THydrogen-bonded Turntrans48.732.4-179.9-60.1174.1000113.5Q47 D81 V82 R83 W334 F337Q47-L85 WeakPolarHBondContact CB-O 3.44Å; Q47-L85 PolarHBondContact N-O 3.44Å; D81-L85 PolarHBondContact O-N 3.09Å; D81-L85 VanDerWaalsContact O-N 3.07Å; V82-L85 WeakPolarHBondContact O-CD2 3.4Å; R83-L85 VanDerWaalsContact C-N 3.29Å; L85-W334 HydrophobicContact CD2-CE3 3.77Å; L85-W334 HydrophobicContact CD2-CZ3 4.09Å; L85-F337 HydrophobicContact CD1-CE1 4.48Å
86S91.9Very high92.9Very high33 Ų3348.2 Ų48.223%0.23123%0.234CC..EExtended strand (participates in β ladder)trans-144.4165.1-171.258.40000112Y80 D81 D84 K88Y80-S86 WeakPolarHBondContact CA-O 3.38Å; D81-S86 PolarHBondContact N-O 3.31Å; D81-S86 PolarHBondContact O-N 3.15Å; D84-S86 WeakPolarHBondContact O-CB 3.24Å; D84-S86 PolarHBondContact O-N 3.49Å; D84-S86 PolarHBondContact O-OG 2.76Å; D84-S86 VanDerWaalsContact O-OG 3.1Å; S86-K88 PolarHBondContact O-N 3.48Å
87M92.5Very high92.9Very high61 Ų6147 Ų4730%0.323%0.231SC..EExtended strand (participates in β ladder)trans-69.4125.3172.966.5-176-62.100109.9D48 Y80 E90D48-M87 HydrophobicContact CB-SD 4.32Å; Y80-M87 HydrophobicContact CD1-CB 3.91Å; Y80-M87 HydrophobicContact CE1-CB 3.89Å; M87-E90 HydrophobicContact CE-CB 3.84Å
88K93.6Very high92.9Very high84 Ų8450.1 Ų50.137%0.36525%0.246SC..EExtended strand (participates in β ladder)trans-78-49.5177-168.2173.6-172.2151.40110.9Y66 C79 D81 S86 F107Y66-K88 HydrophobicContact CD1-CD 4.49Å; Y66-K88 HydrophobicContact CE1-CD 4.02Å; Y66-K88 VanDerWaalsContact CE1-NZ 3.32Å; Y66-K88 PolarHBondContact OH-NZ 2.87Å; C79-K88 WeakPolarHBondContact O-CB 3.3Å; C79-K88 PolarHBondContact O-N 3.29Å; D81-K88 HydrophobicContact CB-CB 4.25Å; D81-K88 HydrophobicContact CB-CD 4.39Å; D81-K88 IonicContact OD2-NZ 3.83Å; S86-K88 PolarHBondContact O-N 3.48Å; K88-F107 HydrophobicContact CD-CE2 4.3Å; K88-F107 HydrophobicContact CD-CZ 4.33Å
89F93.5Very high92.8Very high42 Ų4251.8 Ų51.818%0.18426%0.255CS..EExtended strand (participates in β ladder)trans-157.7162.3175.163.9-97.6000111.2Y68 C79 R91 F107Y68-F89 HydrophobicContact CE1-CE2 4.38Å; Y68-F89 AromaticContact CE1-CZ 3.99Å; Y68-F89 HydrophobicContact CE1-CZ 3.99Å; C79-F89 HydrophobicContact CB-CD1 3.92Å; C79-F89 HydrophobicContact CB-CD2 4.21Å; C79-F89 HydrophobicContact CB-CE1 3.48Å; C79-F89 VanDerWaalsContact CB-CE1 3.48Å; C79-F89 HydrophobicContact CB-CE2 3.82Å; C79-F89 HydrophobicContact CB-CG 4.26Å; C79-F89 HydrophobicContact CB-CZ 3.44Å; C79-F89 VanDerWaalsContact CB-CZ 3.44Å; C79-F89 PolarHBondContact N-O 3.01Å; C79-F89 PolarHBondContact O-N 3.35Å; F89-R91 HydrophobicContact CD2-CG 3.89Å; F89-R91 HydrophobicContact CE2-CG 4.03Å; F89-F107 AromaticContact CE1-CD2 3.84Å; F89-F107 HydrophobicContact CE1-CD2 3.84Å; F89-F107 HydrophobicContact CE1-CE2 4.06Å; F89-F107 HydrophobicContact CZ-CD2 4.44Å
90E93.5Very high92.8Very high62 Ų6252 Ų5229%0.2926%0.256SS..EExtended strand (participates in β ladder)trans-124.7137.5170.6-177.8-179137.200109R76 I77 R78 M87R76-E90 HydrophobicContact CB-CG 4.35Å; R76-E90 VanDerWaalsContact CD-OE1 3.28Å; R76-E90 WeakPolarHBondContact CD-OE1 3.39Å; R76-E90 IonicContact CZ-OE1 3.91Å; R76-E90 IonicContact NE-OE1 3.36Å; R76-E90 IonicContact NH1-OE1 2.75Å; R76-E90 PolarHBondContact NH1-OE1 3.39Å; R76-E90 IonicContact NH1-OE2 2.57Å; I77-E90 CarbonylContact O-C 3.54Å; I77-E90 WeakPolarHBondContact O-CA 3.48Å; R78-E90 HydrophobicContact CG-CB 4.22Å; R78-E90 HydrophobicContact CG-CG 3.94Å; R78-E90 IonicContact CZ-OE2 3.14Å; R78-E90 IonicContact NE-OE2 3.35Å; R78-E90 PolarHBondContact NE-OE2 3.06Å; R78-E90 IonicContact NH2-OE2 3.47Å; R78-E90 PolarHBondContact NH2-OE2 3.15Å; M87-E90 HydrophobicContact CE-CB 3.84Å
91R93.3Very high92.7Very high45 Ų4554.6 Ų54.617%0.1727%0.267CS..EExtended strand (participates in β ladder)trans-124.7144.6172.9-68.4174.9-173.7174.7-2.8109.2R76 I77 F89 H122 V123 Q124 G126R76-R91 CarbonylContact C-O 3.5Å; R76-R91 WeakPolarHBondContact CA-O 3.43Å; R76-R91 VanDerWaalsContact CB-O 3.3Å; R76-R91 WeakPolarHBondContact CB-O 3.42Å; I77-R91 PolarHBondContact N-O 2.88Å; I77-R91 PolarHBondContact O-N 2.98Å; F89-R91 HydrophobicContact CD2-CG 3.89Å; F89-R91 HydrophobicContact CE2-CG 4.03Å; R91-H122 PolarHBondContact NH1-ND1 3.28Å; R91-V123 PolarHBondContact NH1-O 3.25Å; R91-V123 PolarHBondContact NH2-O 3.41Å; R91-Q124 PolarHBondContact NH2-O 3.34Å; R91-G126 PolarHBondContact NH1-O 3.27Å
92C93.4Very high92.7Very high58 Ų5854.7 Ų54.739%0.39227%0.268SS..EExtended strand (participates in β ladder)trans-98.4146.3168.7-61.70000109.4K74 P75K74-C92 WeakPolarHBondContact CE-SG 3.35Å; K74-C92 HydrophobicContact CG-CB 4.46Å; P75-C92 CarbonylContact O-C 3.58Å; P75-C92 VanDerWaalsContact O-CA 3.28Å; P75-C92 WeakPolarHBondContact O-CA 3.35Å
93I91.9Very high92.8Very high12 Ų1256.3 Ų56.36%0.06228%0.276CS..  trans-122.4157.2-178.2-67.2179000107.6P75 I77 S95 V97 M112 E114 E120P75-I93 HydrophobicContact CB-CB 4.39Å; P75-I93 PolarHBondContact O-N 3.45Å; I77-I93 HydrophobicContact CB-CD1 4.45Å; I77-I93 HydrophobicContact CD1-CD1 3.19Å; I77-I93 HydrophobicContact CD1-CG1 4.5Å; I77-I93 HydrophobicContact CG1-CD1 3.54Å; I93-S95 VanDerWaalsContact CG2-O 3.31Å; I93-S95 WeakPolarHBondContact CG2-O 3.35Å; I93-V97 HydrophobicContact CD1-CG2 3.97Å; I93-M112 HydrophobicContact CD1-SD 3.49Å; I93-M112 WeakPolarHBondContact CD1-SD 3.38Å; I93-E114 WeakPolarHBondContact CG2-OE1 3.36Å; I93-E120 VanDerWaalsContact CG2-OE2 3.24Å; I93-E120 WeakPolarHBondContact CG2-OE2 3.36Å
94D91Very high92.9Very high137 Ų13749.8 Ų49.873%0.73326%0.257SS*.SBendtrans-73.6-35.4-176.6-65.6-27.1000112.4K130D94-K130 IonicContact OD2-NZ 3.24Å; D94-K130 PolarHBondContact OD2-NZ 3.18Å
95S92.1Very high92.9Very high9 Ų951 Ų516%0.06326%0.258CS..SBendtrans-135.3165.7-178.7530000114.2P75 I93 E114P75-S95 WeakPolarHBondContact CB-O 3.41Å; I93-S95 VanDerWaalsContact CG2-O 3.31Å; I93-S95 WeakPolarHBondContact CG2-O 3.35Å; S95-E114 PolarHBondContact N-OE1 2.86Å; S95-E114 VanDerWaalsContact OG-CB 3.3Å; S95-E114 WeakPolarHBondContact OG-CB 3.34Å; S95-E114 PolarHBondContact OG-OE1 3.31Å; S95-E114 PolarHBondContact OG-OE2 3.39Å; S95-E114 VanDerWaalsContact OG-OE2 3.14Å
96D93.5Very high92.9Very high46 Ų4648.8 Ų48.825%0.24625%0.249CC..  trans-67.4139.9-177.1-76.3-36.8000111.8T72 P75 E114 E115T72-D96 WeakPolarHBondContact CA-OD1 3.35Å; P75-D96 WeakPolarHBondContact CG-OD1 3.37Å; D96-E114 WeakPolarHBondContact O-CA 3.27Å; D96-E115 PolarHBondContact O-N 3.38Å
97V94.2Very high92.9Very high8 Ų848 Ų485%0.04824%0.241CC..EExtended strand (participates in β ladder)trans-92.5121.3-176.5-179.40000109.5H56 A70 I77 I93 K99 M100 M112H56-V97 WeakPolarHBondContact CB-O 3.47Å; A70-V97 HydrophobicContact CB-CB 4.01Å; A70-V97 HydrophobicContact CB-CG1 4.35Å; A70-V97 HydrophobicContact CB-CG2 4.46Å; I77-V97 HydrophobicContact CD1-CG2 4.27Å; I93-V97 HydrophobicContact CD1-CG2 3.97Å; V97-K99 WeakPolarHBondContact CG1-O 3.26Å; V97-M100 HydrophobicContact CG1-CG 3.39Å; V97-M100 HydrophobicContact CG1-SD 4.15Å; V97-M112 HydrophobicContact CG1-CB 4.01Å; V97-M112 HydrophobicContact CG1-CG 4.28Å; V97-M112 HydrophobicContact CG2-CB 4.37Å
98I93.1Very high92.9Very high68 Ų6849.2 Ų49.235%0.34925%0.246SC..EExtended strand (participates in β ladder)trans-78.6-54.2175.7-63175.4000110L113 E115 G137 R138I98-L113 HydrophobicContact CB-CD2 4.24Å; I98-L113 HydrophobicContact CD1-CD2 4.41Å; I98-L113 HydrophobicContact CG2-CD2 4.33Å; I98-L113 PolarHBondContact N-O 3.08Å; I98-E115 HydrophobicContact CD1-CB 4.34Å; I98-E115 HydrophobicContact CG1-CB 4.43Å; I98-G137 WeakPolarHBondContact CD1-O 3.48Å; I98-R138 WeakPolarHBondContact CG2-O 3.15Å
99K93.8Very high93Very high69 Ų6950.4 Ų50.430%0.325%0.251SS..EExtended strand (participates in β ladder)trans-140.6151.2-178.3-164.9172-173.3172.70110.3V97 L113 D139 F140V97-K99 WeakPolarHBondContact CG1-O 3.26Å; K99-L113 PolarHBondContact O-N 2.84Å; K99-D139 WeakPolarHBondContact CD-OD1 3.3Å; K99-D139 VanDerWaalsContact CE-OD1 3.23Å; K99-D139 WeakPolarHBondContact CE-OD1 3.34Å; K99-D139 IonicContact NZ-OD1 3.99Å; K99-D139 PolarHBondContact NZ-OD1 3.46Å; K99-D139 IonicContact NZ-OD2 2.77Å; K99-D139 PolarHBondContact NZ-OD2 3.13Å; K99-D139 VanDerWaalsContact NZ-OD2 3.14Å; K99-F140 HydrophobicContact CB-CD1 4.14Å; K99-F140 HydrophobicContact CB-CE1 3.88Å; K99-F140 HydrophobicContact CG-CD1 4.47Å; K99-F140 HydrophobicContact CG-CE1 4.15Å; K99-F140 WeakPolarHBondContact O-CE1 3.18Å
100M94.3Very high93Very high6 Ų648.6 Ų48.63%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-126.9149.8174.7-60.3-173.4-72.100109.9A57 V59 A70 I77 V97 V111 M112A57-M100 HydrophobicContact CB-CE 3.91Å; A57-M100 VanDerWaalsContact O-CE 3.3Å; A57-M100 WeakPolarHBondContact O-CE 3.48Å; V59-M100 HydrophobicContact CG2-CB 4.07Å; V59-M100 WeakPolarHBondContact CG2-O 3.41Å; A70-M100 HydrophobicContact CB-CE 3.55Å; A70-M100 HydrophobicContact CB-SD 3.83Å; I77-M100 HydrophobicContact CD1-SD 3.62Å; I77-M100 HydrophobicContact CG1-SD 4.17Å; V97-M100 HydrophobicContact CG1-CG 3.39Å; V97-M100 HydrophobicContact CG1-SD 4.15Å; M100-V111 WeakPolarHBondContact CA-O 3.35Å; M100-M112 HydrophobicContact CG-CG 3.89Å; M100-M112 HydrophobicContact SD-CG 4.27Å
101K93.7Very high93.1Very high53 Ų5345.6 Ų45.623%0.2323%0.23CC..EExtended strand (participates in β ladder)trans-143.2133168.6-170169176.7178.30109.3V111 F140 Y142K101-V111 PolarHBondContact N-O 3.24Å; K101-V111 PolarHBondContact O-N 3.41Å; K101-F140 HydrophobicContact CB-CE2 3.66Å; K101-F140 HydrophobicContact CB-CZ 3.72Å; K101-Y142 PolarHBondContact NZ-O 3.46Å
102I94.6Very high93.2Very high18 Ų1843.6 Ų43.69%0.09222%0.222CC..EExtended strand (participates in β ladder)trans-83.4128.5173.5-53167.2000106.7V59 Y68 S104 G106 V110V59-I102 HydrophobicContact CG1-CD1 3.94Å; V59-I102 HydrophobicContact CG1-CG1 4.05Å; Y68-I102 HydrophobicContact CD2-CD1 3.68Å; Y68-I102 HydrophobicContact CD2-CG1 3.85Å; Y68-I102 HydrophobicContact CE2-CD1 4.27Å; Y68-I102 HydrophobicContact CE2-CG1 4.28Å; I102-S104 VanDerWaalsContact CG2-O 3.3Å; I102-S104 WeakPolarHBondContact CG2-O 3.46Å; I102-G106 WeakPolarHBondContact CG2-O 3.46Å; I102-V110 HydrophobicContact CG1-CG2 4.32Å; I102-V110 HydrophobicContact CG2-CG2 4.49Å
103L93.3Very high93.3Very high33 Ų3340.9 Ų40.917%0.17320%0.203CC..  trans-92.5-28.3-179.2-59.9179.5000112.8K109 V111 Y142 L163L103-K109 HydrophobicContact CB-CB 4.09Å; L103-K109 PolarHBondContact N-O 3.09Å; L103-V111 HydrophobicContact CD1-CG2 3.39Å; L103-V111 HydrophobicContact CD2-CG2 3.92Å; L103-V111 HydrophobicContact CG-CG2 3.66Å; L103-Y142 HydrophobicContact CD2-CD1 3.46Å; L103-Y142 VanDerWaalsContact CD2-CD1 3.46Å; L103-Y142 HydrophobicContact CD2-CD2 3.77Å; L103-Y142 HydrophobicContact CD2-CE1 3.84Å; L103-Y142 HydrophobicContact CD2-CE2 4.14Å; L103-Y142 HydrophobicContact CD2-CG 3.41Å; L103-Y142 VanDerWaalsContact CD2-CG 3.41Å; L103-L163 HydrophobicContact CD1-CD1 3.67Å; L103-L163 HydrophobicContact CD2-CD1 4.43Å
104S91.9Very high93.4Very high34 Ų3440.3 Ų40.324%0.23820%0.201CC..SBendtrans-91.1164.4177.3-167.70000110.3I102 G106I102-S104 VanDerWaalsContact CG2-O 3.3Å; I102-S104 WeakPolarHBondContact CG2-O 3.46Å; S104-G106 PolarHBondContact O-N 3.26Å
105E90.8Very high93.5Very high140 Ų14038.6 Ų38.665%0.65419%0.188SC*.SBendtrans-63.3-35.5171.7-63-176.7159.900110.9S61 A62 D63S61-E105 PolarHBondContact OG-O 2.9Å; A62-E105 PolarHBondContact N-O 2.87Å; D63-E105 WeakPolarHBondContact CB-O 3.44Å; D63-E105 VanDerWaalsContact CG-O 3.23Å; D63-E105 PolarHBondContact N-O 3.41Å; D63-E105 VanDerWaalsContact N-O 3.11Å
106G91.6Very high93.5Very high7 Ų743.1 Ų43.17%0.07221%0.208CC..SBendtrans-99.6-166.5173.700000114.1S61 I102 S104 E108S61-G106 VanDerWaalsContact OG-C 3.3Å; S61-G106 WeakPolarHBondContact OG-CA 3.28Å; S61-G106 PolarHBondContact OG-O 2.85Å; I102-G106 WeakPolarHBondContact CG2-O 3.46Å; S104-G106 PolarHBondContact O-N 3.26Å; G106-E108 PolarHBondContact O-N 3.41Å
107F91.6Very high93.5Very high15 Ų1544.1 Ų44.17%0.06621%0.209CC..THydrogen-bonded Turntrans-77.6-3.7-176.273.8-77.3000115.1Y66 Y68 K88 F89 K109 Q124Y66-F107 HydrophobicContact CD1-CB 3.95Å; Y66-F107 AromaticContact CD1-CD1 3.83Å; Y66-F107 HydrophobicContact CD1-CD1 3.83Å; Y66-F107 HydrophobicContact CD1-CG 4.07Å; Y66-F107 HydrophobicContact CD2-CB 3.97Å; Y66-F107 AromaticContact CD2-CD1 3.83Å; Y66-F107 HydrophobicContact CD2-CD1 3.83Å; Y66-F107 HydrophobicContact CD2-CG 4.37Å; Y66-F107 HydrophobicContact CE1-CB 4.45Å; Y66-F107 AromaticContact CE1-CD1 3.45Å; Y66-F107 HydrophobicContact CE1-CD1 3.45Å; Y66-F107 VanDerWaalsContact CE1-CD1 3.45Å; Y66-F107 AromaticContact CE1-CE1 3.94Å; Y66-F107 HydrophobicContact CE1-CE1 3.94Å; Y66-F107 HydrophobicContact CE1-CG 4.1Å; Y66-F107 HydrophobicContact CE2-CB 4.49Å; Y66-F107 AromaticContact CE2-CD1 3.46Å; Y66-F107 HydrophobicContact CE2-CD1 3.46Å; Y66-F107 VanDerWaalsContact CE2-CD1 3.46Å; Y66-F107 HydrophobicContact CE2-CE1 4.17Å; Y66-F107 HydrophobicContact CE2-CG 4.41Å; Y66-F107 HydrophobicContact CG-CB 3.67Å; Y66-F107 AromaticContact CG-CD1 3.99Å; Y66-F107 HydrophobicContact CG-CD1 3.99Å; Y66-F107 HydrophobicContact CG-CG 4.19Å; Y66-F107 AromaticContact CZ-CD1 3.24Å; Y66-F107 AromaticContact CZ-CE1 3.62Å; Y66-F107 WeakPolarHBondContact OH-CE1 3.3Å; Y68-F107 HydrophobicContact CE2-CB 3.73Å; Y68-F107 PolarHBondContact OH-O 3.09Å; K88-F107 HydrophobicContact CD-CE2 4.3Å; K88-F107 HydrophobicContact CD-CZ 4.33Å; F89-F107 AromaticContact CE1-CD2 3.84Å; F89-F107 HydrophobicContact CE1-CD2 3.84Å; F89-F107 HydrophobicContact CE1-CE2 4.06Å; F89-F107 HydrophobicContact CZ-CD2 4.44Å; F107-K109 PolarHBondContact O-N 3.02Å; F107-Q124 HydrophobicContact CE2-CB 4.43Å; F107-Q124 HydrophobicContact CE2-CG 3.93Å; F107-Q124 HydrophobicContact CZ-CG 4.14Å
108E93.3Very high93.6Very high87 Ų8747.6 Ų47.641%0.40722%0.221SC..THydrogen-bonded Turntrans-63.4-35.1-163.4-62.3175.8169.300114.3G106 V123 Q124G106-E108 PolarHBondContact O-N 3.41Å; E108-V123 CarbonylContact O-C 3.53Å; E108-V123 WeakPolarHBondContact O-CA 3.43Å; E108-Q124 PolarHBondContact O-N 3.09Å
109K94.3Very high93.7Very high110 Ų11044.4 Ų44.448%0.47820%0.204SC..EExtended strand (participates in β ladder)trans-131.5121.5-174.7-61.9178.2-172.71730109.9L103 F107 H122L103-K109 HydrophobicContact CB-CB 4.09Å; L103-K109 PolarHBondContact N-O 3.09Å; F107-K109 PolarHBondContact O-N 3.02Å; K109-H122 WeakPolarHBondContact CA-O 3.4Å
110V94.9Very high93.7Very high3 Ų341.3 Ų41.32%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-134139.3-178.5-1770000109.7Y68 I102 M112 H122Y68-V110 HydrophobicContact CD2-CG2 4.03Å; Y68-V110 HydrophobicContact CE1-CG2 4.04Å; Y68-V110 HydrophobicContact CE2-CG2 3.42Å; Y68-V110 VanDerWaalsContact CE2-CG2 3.42Å; Y68-V110 VanDerWaalsContact CZ-CG2 3.42Å; I102-V110 HydrophobicContact CG1-CG2 4.32Å; I102-V110 HydrophobicContact CG2-CG2 4.49Å; V110-M112 HydrophobicContact CB-CE 3.9Å; V110-M112 HydrophobicContact CG1-CE 3.48Å; V110-M112 VanDerWaalsContact CG1-CE 3.48Å; V110-M112 HydrophobicContact CG1-CG 4.36Å; V110-H122 PolarHBondContact N-O 2.98Å; V110-H122 PolarHBondContact O-N 3.45Å
111V95.3Very high93.7Very high0 Ų042 Ų420%019%0.194CC..EExtended strand (participates in β ladder)trans-113.6139.6170.6-169.80000109.9M100 K101 L103 L119 E120 F121 F140 L149M100-V111 WeakPolarHBondContact CA-O 3.35Å; K101-V111 PolarHBondContact N-O 3.24Å; K101-V111 PolarHBondContact O-N 3.41Å; L103-V111 HydrophobicContact CD1-CG2 3.39Å; L103-V111 HydrophobicContact CD2-CG2 3.92Å; L103-V111 HydrophobicContact CG-CG2 3.66Å; V111-L119 HydrophobicContact CG1-CD2 4.27Å; V111-E120 WeakPolarHBondContact CA-O 3.35Å; V111-F121 HydrophobicContact CB-CD1 4.39Å; V111-F121 HydrophobicContact CB-CE1 4.29Å; V111-F121 HydrophobicContact CG1-CD1 4.2Å; V111-F121 HydrophobicContact CG1-CE1 3.86Å; V111-F121 HydrophobicContact CG1-CZ 4.2Å; V111-F121 HydrophobicContact CG2-CD1 3.46Å; V111-F121 VanDerWaalsContact CG2-CD1 3.46Å; V111-F121 HydrophobicContact CG2-CE1 3.41Å; V111-F121 VanDerWaalsContact CG2-CE1 3.41Å; V111-F121 HydrophobicContact CG2-CZ 4.48Å; V111-F140 HydrophobicContact CB-CE2 4.08Å; V111-F140 HydrophobicContact CB-CZ 4.2Å; V111-F140 HydrophobicContact CG1-CE2 4.14Å; V111-F140 HydrophobicContact CG1-CZ 4.28Å; V111-L149 HydrophobicContact CB-CD1 4.22Å; V111-L149 HydrophobicContact CG1-CD1 3.67Å; V111-L149 HydrophobicContact CG2-CD1 4.17Å
112M95.3Very high93.8Very high3 Ų340 Ų402%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-125.2135.7177.5-59.7138.3-155.300109.1I77 I93 V97 M100 V110 L119 E120 H122I77-M112 HydrophobicContact CD1-CE 3.24Å; I77-M112 HydrophobicContact CD1-CG 3.65Å; I77-M112 HydrophobicContact CD1-SD 3.12Å; I77-M112 WeakPolarHBondContact CD1-SD 3.4Å; I93-M112 HydrophobicContact CD1-SD 3.49Å; I93-M112 WeakPolarHBondContact CD1-SD 3.38Å; V97-M112 HydrophobicContact CG1-CB 4.01Å; V97-M112 HydrophobicContact CG1-CG 4.28Å; V97-M112 HydrophobicContact CG2-CB 4.37Å; M100-M112 HydrophobicContact CG-CG 3.89Å; M100-M112 HydrophobicContact SD-CG 4.27Å; V110-M112 HydrophobicContact CB-CE 3.9Å; V110-M112 HydrophobicContact CG1-CE 3.48Å; V110-M112 VanDerWaalsContact CG1-CE 3.48Å; V110-M112 HydrophobicContact CG1-CG 4.36Å; M112-L119 WeakPolarHBondContact O-CA 2.9Å; M112-E120 PolarHBondContact N-O 2.86Å; M112-E120 PolarHBondContact O-N 3.06Å; M112-H122 HydrophobicContact CE-CB 3.79Å; M112-H122 WeakPolarHBondContact CE-CD2 3.27Å; M112-H122 PolarHBondContact SD-CD2 3.32Å
113L95.3Very high93.8Very high0 Ų041.3 Ų41.30%019%0.194CC..EExtended strand (participates in β ladder)trans-94.9115.1167.1-179.678.6000108.1I98 K99 L119 I133 F140I98-L113 HydrophobicContact CB-CD2 4.24Å; I98-L113 HydrophobicContact CD1-CD2 4.41Å; I98-L113 HydrophobicContact CG2-CD2 4.33Å; I98-L113 PolarHBondContact N-O 3.08Å; K99-L113 PolarHBondContact O-N 2.84Å; L113-L119 HydrophobicContact CB-CD2 4.18Å; L113-L119 HydrophobicContact CD1-CD2 3.6Å; L113-L119 HydrophobicContact CD1-CG 4.36Å; L113-I133 HydrophobicContact CD1-CD1 3.83Å; L113-F140 HydrophobicContact CB-CD1 3.57Å; L113-F140 HydrophobicContact CB-CE1 3.72Å; L113-F140 HydrophobicContact CD2-CD1 4.32Å; L113-F140 HydrophobicContact CG-CD1 4.44Å
114E94.6Very high93.7Very high0 Ų044.5 Ų44.50%021%0.208CC..EExtended strand (participates in β ladder)trans-88.5154.6175.9-58.6-168.2110.300111.7I93 S95 D96 H116 R117 W118 E120 K130I93-E114 WeakPolarHBondContact CG2-OE1 3.36Å; S95-E114 PolarHBondContact N-OE1 2.86Å; S95-E114 VanDerWaalsContact OG-CB 3.3Å; S95-E114 WeakPolarHBondContact OG-CB 3.34Å; S95-E114 PolarHBondContact OG-OE1 3.31Å; S95-E114 PolarHBondContact OG-OE2 3.39Å; S95-E114 VanDerWaalsContact OG-OE2 3.14Å; D96-E114 WeakPolarHBondContact O-CA 3.27Å; E114-H116 PolarHBondContact O-N 3.01Å; E114-R117 PolarHBondContact O-N 2.97Å; E114-W118 HydrophobicContact CB-CB 4.15Å; E114-W118 WeakPolarHBondContact CB-O 3.47Å; E114-W118 HydrophobicContact CG-CB 4.32Å; E114-W118 PolarHBondContact N-O 3.12Å; E114-W118 WeakPolarHBondContact OE2-CB 2.85Å; E114-E120 VanDerWaalsContact CD-CD 3.44Å; E114-E120 HydrophobicContact CG-CG 4.06Å; E114-K130 IonicContact OE1-NZ 2.84Å; E114-K130 WeakPolarHBondContact OE2-CE 3.43Å; E114-K130 IonicContact OE2-NZ 3.62Å; E114-K130 PolarHBondContact OE2-NZ 3.37Å
115E91.7Very high93.6Very high101 Ų10150.4 Ų50.447%0.47224%0.237SC..THydrogen-bonded Turntrans-59.2-31.4178-169-179.7175.800113.3D96 I98 R117 F136D96-E115 PolarHBondContact O-N 3.38Å; I98-E115 HydrophobicContact CD1-CB 4.34Å; I98-E115 HydrophobicContact CG1-CB 4.43Å; E115-R117 VanDerWaalsContact C-N 3.27Å; E115-R117 PolarHBondContact O-N 3.37Å; E115-R117 VanDerWaalsContact O-N 3.17Å; E115-F136 WeakPolarHBondContact O-CD1 3.28Å
116H93.2Very high93.6Very high104 Ų10444.5 Ų44.548%0.48121%0.214SC..THydrogen-bonded Turntrans-88.129.7-175.2-65.7-28.1000115.1E114 W118E114-H116 PolarHBondContact O-N 3.01Å; H116-W118 VanDerWaalsContact C-N 3.28Å; H116-W118 VanDerWaalsContact O-CD1 3.23Å; H116-W118 PolarHBondContact O-N 3.45Å
117R93.3Very high93.6Very high68 Ų6849.1 Ų49.126%0.25723%0.233SC..SBendtrans67.125178.4-50.8-179.2-81170.7-9.7114.3E114 E115 R132 I133 P134 K135 F136E114-R117 PolarHBondContact O-N 2.97Å; E115-R117 VanDerWaalsContact C-N 3.27Å; E115-R117 PolarHBondContact O-N 3.37Å; E115-R117 VanDerWaalsContact O-N 3.17Å; R117-R132 HydrophobicContact CB-CG 4.43Å; R117-R132 CarbonylContact O-C 3.54Å; R117-R132 WeakPolarHBondContact O-CA 3.39Å; R117-R132 WeakPolarHBondContact O-CG 3.24Å; R117-I133 WeakPolarHBondContact CB-O 3.24Å; R117-I133 PolarHBondContact O-N 3.01Å; R117-P134 PolarHBondContact NH1-O 3.24Å; R117-K135 VanDerWaalsContact CD-C 3.43Å; R117-K135 WeakPolarHBondContact CG-O 3.16Å; R117-F136 HydrophobicContact CG-CB 4.49Å; R117-F136 HydrophobicContact CG-CD1 3.64Å; R117-F136 HydrophobicContact CG-CE1 3.99Å; R117-F136 HydrophobicContact CG-CG 4.04Å
118W95.2Very high93.7Very high80 Ų8056.6 Ų56.630%0.30326%0.262SS..EExtended strand (participates in β ladder)trans-106.7139.3178.3-66.6109.9000109.6E114 H116 K130 T131 R132E114-W118 HydrophobicContact CB-CB 4.15Å; E114-W118 WeakPolarHBondContact CB-O 3.47Å; E114-W118 HydrophobicContact CG-CB 4.32Å; E114-W118 PolarHBondContact N-O 3.12Å; E114-W118 WeakPolarHBondContact OE2-CB 2.85Å; H116-W118 VanDerWaalsContact C-N 3.28Å; H116-W118 VanDerWaalsContact O-CD1 3.23Å; H116-W118 PolarHBondContact O-N 3.45Å; W118-K130 HydrophobicContact CB-CG 4.32Å; W118-K130 HydrophobicContact CD2-CD 4.35Å; W118-K130 HydrophobicContact CD2-CG 4.11Å; W118-K130 HydrophobicContact CE3-CD 4.25Å; W118-K130 HydrophobicContact CE3-CG 3.59Å; W118-K130 HydrophobicContact CG-CD 4.49Å; W118-K130 VanDerWaalsContact CG-CE 3.4Å; W118-K130 HydrophobicContact CG-CG 4.42Å; W118-K130 HydrophobicContact CZ3-CG 4.19Å; W118-T131 CarbonylContact C-O 3.58Å; W118-T131 WeakPolarHBondContact CA-O 3.43Å; W118-R132 HydrophobicContact CD2-CB 4.27Å; W118-R132 HydrophobicContact CD2-CG 4.03Å; W118-R132 HydrophobicContact CE3-CB 3.66Å; W118-R132 HydrophobicContact CE3-CG 3.93Å; W118-R132 HydrophobicContact CH2-CB 4Å; W118-R132 HydrophobicContact CH2-CG 4.16Å; W118-R132 HydrophobicContact CZ2-CG 4.23Å; W118-R132 HydrophobicContact CZ3-CB 3.52Å; W118-R132 HydrophobicContact CZ3-CG 4.02Å
119L94.9Very high93.7Very high1 Ų157.9 Ų57.91%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-104.5116.5164.5-73.2172.5000107.3V111 M112 L113 F121 K130 T131 I133 L149V111-L119 HydrophobicContact CG1-CD2 4.27Å; M112-L119 WeakPolarHBondContact O-CA 2.9Å; L113-L119 HydrophobicContact CB-CD2 4.18Å; L113-L119 HydrophobicContact CD1-CD2 3.6Å; L113-L119 HydrophobicContact CD1-CG 4.36Å; L119-F121 HydrophobicContact CB-CE2 4.24Å; L119-K130 WeakPolarHBondContact O-CA 3.47Å; L119-T131 WeakPolarHBondContact CB-OG1 3.44Å; L119-T131 PolarHBondContact N-O 3.36Å; L119-T131 PolarHBondContact O-N 2.91Å; L119-I133 HydrophobicContact CD1-CD1 3.68Å; L119-I133 HydrophobicContact CD1-CG1 3.88Å; L119-I133 HydrophobicContact CD2-CD1 4.12Å; L119-I133 HydrophobicContact CG-CD1 3.6Å; L119-I133 HydrophobicContact CG-CG1 4.03Å; L119-L149 HydrophobicContact CD1-CD2 3.91Å; L119-L149 HydrophobicContact CD2-CD2 4.47Å
120E94.8Very high93.7Very high5 Ų554.8 Ų54.82%0.02325%0.253CS..EExtended strand (participates in β ladder)trans-101.1130.2175.8-69.3-163.4158.300110.8I93 V111 M112 E114 H122 K130I93-E120 VanDerWaalsContact CG2-OE2 3.24Å; I93-E120 WeakPolarHBondContact CG2-OE2 3.36Å; V111-E120 WeakPolarHBondContact CA-O 3.35Å; M112-E120 PolarHBondContact N-O 2.86Å; M112-E120 PolarHBondContact O-N 3.06Å; E114-E120 VanDerWaalsContact CD-CD 3.44Å; E114-E120 HydrophobicContact CG-CG 4.06Å; E120-H122 IonicContact OE2-NE2 2.67Å; E120-K130 HydrophobicContact CG-CB 4.42Å; E120-K130 HydrophobicContact CG-CD 3.95Å; E120-K130 HydrophobicContact CG-CG 3.95Å; E120-K130 WeakPolarHBondContact OE1-CD 3.23Å; E120-K130 VanDerWaalsContact OE1-CE 3.27Å; E120-K130 WeakPolarHBondContact OE1-CE 3.34Å; E120-K130 IonicContact OE1-NZ 3.44Å; E120-K130 PolarHBondContact OE1-NZ 3.17Å
121F95.2Very high93.7Very high20 Ų2055.5 Ų55.59%0.08826%0.257CS..EExtended strand (participates in β ladder)trans-105.2120.1175.5-64.1-88.8000109.1V111 L119 Y128 F129 T131 L149 L161 L163V111-F121 HydrophobicContact CB-CD1 4.39Å; V111-F121 HydrophobicContact CB-CE1 4.29Å; V111-F121 HydrophobicContact CG1-CD1 4.2Å; V111-F121 HydrophobicContact CG1-CE1 3.86Å; V111-F121 HydrophobicContact CG1-CZ 4.2Å; V111-F121 HydrophobicContact CG2-CD1 3.46Å; V111-F121 VanDerWaalsContact CG2-CD1 3.46Å; V111-F121 HydrophobicContact CG2-CE1 3.41Å; V111-F121 VanDerWaalsContact CG2-CE1 3.41Å; V111-F121 HydrophobicContact CG2-CZ 4.48Å; L119-F121 HydrophobicContact CB-CE2 4.24Å; F121-Y128 HydrophobicContact CB-CD1 4.48Å; F121-Y128 WeakPolarHBondContact O-CB 3.19Å; F121-Y128 PolarHBondContact O-N 3.11Å; F121-F129 HydrophobicContact CB-CB 4.47Å; F121-F129 WeakPolarHBondContact CB-O 3.45Å; F121-F129 HydrophobicContact CD2-CB 4.48Å; F121-F129 HydrophobicContact CD2-CD1 4.46Å; F121-F129 PolarHBondContact N-O 2.89Å; F121-F129 PolarHBondContact O-N 3.29Å; F121-T131 HydrophobicContact CE2-CG2 4.32Å; F121-L149 HydrophobicContact CE1-CD1 4.39Å; F121-L149 HydrophobicContact CZ-CD1 4.44Å; F121-L161 HydrophobicContact CZ-CD2 3.86Å; F121-L163 HydrophobicContact CD1-CD2 4.3Å; F121-L163 HydrophobicContact CE1-CD2 3.38Å; F121-L163 HydrophobicContact CZ-CD2 3.71Å
122H94.7Very high93.6Very high12 Ų1261.4 Ų61.46%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-109.6137.3174.5-81.6-93.1000110.8R91 K109 V110 M112 E120 G126R91-H122 PolarHBondContact NH1-ND1 3.28Å; K109-H122 WeakPolarHBondContact CA-O 3.4Å; V110-H122 PolarHBondContact N-O 2.98Å; V110-H122 PolarHBondContact O-N 3.45Å; M112-H122 HydrophobicContact CE-CB 3.79Å; M112-H122 WeakPolarHBondContact CE-CD2 3.27Å; M112-H122 PolarHBondContact SD-CD2 3.32Å; E120-H122 IonicContact OE2-NE2 2.67Å; H122-G126 WeakPolarHBondContact CA-O 3.43Å; H122-G126 PolarHBondContact ND1-O 3.16Å
123V94Very high93.5Very high45 Ų4561.4 Ų61.427%0.27328%0.28SS..EExtended strand (participates in β ladder)trans-111.3171.8171.5179.40000108.8R91 E108 D125 G126 Y128R91-V123 PolarHBondContact NH1-O 3.25Å; R91-V123 PolarHBondContact NH2-O 3.41Å; E108-V123 CarbonylContact O-C 3.53Å; E108-V123 WeakPolarHBondContact O-CA 3.43Å; V123-D125 PolarHBondContact O-N 3.39Å; V123-D125 VanDerWaalsContact O-N 3.16Å; V123-G126 PolarHBondContact N-O 3.46Å; V123-G126 PolarHBondContact O-N 2.94Å; V123-G126 VanDerWaalsContact O-N 3.09Å; V123-G126 VanDerWaalsContact O-O 3.1Å; V123-Y128 HydrophobicContact CG2-CD2 4.15Å; V123-Y128 HydrophobicContact CG2-CG 3.88Å
124Q92.4Very high93.4Very high99 Ų9964.9 Ų64.946%0.46330%0.302SS..THydrogen-bonded Turntrans-50.5-35.9174.1178.1170.5-4.100113.1R91 F107 E108R91-Q124 PolarHBondContact NH2-O 3.34Å; F107-Q124 HydrophobicContact CE2-CB 4.43Å; F107-Q124 HydrophobicContact CE2-CG 3.93Å; F107-Q124 HydrophobicContact CZ-CG 4.14Å; E108-Q124 PolarHBondContact O-N 3.09Å
125D89.8Confident93.3Very high158 Ų15870 Ų7085%0.84533%0.325SS*.THydrogen-bonded Turntrans-79.1-21.9-178.6-63-31.7000113.9V123V123-D125 PolarHBondContact O-N 3.39Å; V123-D125 VanDerWaalsContact O-N 3.16Å
126G90.5Very high93.4Very high16 Ų1670.7 Ų70.717%0.16533%0.326CS..EExtended strand (participates in β ladder)trans153.9-149.2-177.300000114.3R91 H122 V123R91-G126 PolarHBondContact NH1-O 3.27Å; H122-G126 WeakPolarHBondContact CA-O 3.43Å; H122-G126 PolarHBondContact ND1-O 3.16Å; V123-G126 PolarHBondContact N-O 3.46Å; V123-G126 PolarHBondContact O-N 2.94Å; V123-G126 VanDerWaalsContact O-N 3.09Å; V123-G126 VanDerWaalsContact O-O 3.1Å
127H91.6Very high93.3Very high104 Ų10466 Ų6648%0.48131%0.306SS..EExtended strand (participates in β ladder)trans-70.6125.1168.2167-79.6000108.9
128Y93.4Very high93.3Very high172 Ų17266.9 Ų66.968%0.67531%0.31SS*.EExtended strand (participates in β ladder)trans-98.4-56.3178.2178.9-105000111.1F121 V123F121-Y128 HydrophobicContact CB-CD1 4.48Å; F121-Y128 WeakPolarHBondContact O-CB 3.19Å; F121-Y128 PolarHBondContact O-N 3.11Å; V123-Y128 HydrophobicContact CG2-CD2 4.15Å; V123-Y128 HydrophobicContact CG2-CG 3.88Å
129F93.3Very high93.2Very high115 Ų11563.8 Ų63.850%0.50430%0.299SS..EExtended strand (participates in β ladder)trans-154.9148.6-173.5-168.3-127.8000112F121 T131F121-F129 HydrophobicContact CB-CB 4.47Å; F121-F129 WeakPolarHBondContact CB-O 3.45Å; F121-F129 HydrophobicContact CD2-CB 4.48Å; F121-F129 HydrophobicContact CD2-CD1 4.46Å; F121-F129 PolarHBondContact N-O 2.89Å; F121-F129 PolarHBondContact O-N 3.29Å; F129-T131 HydrophobicContact CD1-CG2 3.38Å; F129-T131 HydrophobicContact CE1-CG2 2.99Å; F129-T131 HydrophobicContact CG-CG2 4.47Å; F129-T131 HydrophobicContact CZ-CG2 3.82Å
130K94Very high93.1Very high45 Ų4563.8 Ų63.820%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-128.3123179.4-177.3166.9-170153.50109.3D94 E114 W118 L119 E120D94-K130 IonicContact OD2-NZ 3.24Å; D94-K130 PolarHBondContact OD2-NZ 3.18Å; E114-K130 IonicContact OE1-NZ 2.84Å; E114-K130 WeakPolarHBondContact OE2-CE 3.43Å; E114-K130 IonicContact OE2-NZ 3.62Å; E114-K130 PolarHBondContact OE2-NZ 3.37Å; W118-K130 HydrophobicContact CB-CG 4.32Å; W118-K130 HydrophobicContact CD2-CD 4.35Å; W118-K130 HydrophobicContact CD2-CG 4.11Å; W118-K130 HydrophobicContact CE3-CD 4.25Å; W118-K130 HydrophobicContact CE3-CG 3.59Å; W118-K130 HydrophobicContact CG-CD 4.49Å; W118-K130 VanDerWaalsContact CG-CE 3.4Å; W118-K130 HydrophobicContact CG-CG 4.42Å; W118-K130 HydrophobicContact CZ3-CG 4.19Å; L119-K130 WeakPolarHBondContact O-CA 3.47Å; E120-K130 HydrophobicContact CG-CB 4.42Å; E120-K130 HydrophobicContact CG-CD 3.95Å; E120-K130 HydrophobicContact CG-CG 3.95Å; E120-K130 WeakPolarHBondContact OE1-CD 3.23Å; E120-K130 VanDerWaalsContact OE1-CE 3.27Å; E120-K130 WeakPolarHBondContact OE1-CE 3.34Å; E120-K130 IonicContact OE1-NZ 3.44Å; E120-K130 PolarHBondContact OE1-NZ 3.17Å
131T94.4Very high93.1Very high17 Ų1763.8 Ų63.810%0.10430%0.299CS..EExtended strand (participates in β ladder)trans-122.7148.3-178.258.50000111.3W118 L119 F121 F129 L161W118-T131 CarbonylContact C-O 3.58Å; W118-T131 WeakPolarHBondContact CA-O 3.43Å; L119-T131 WeakPolarHBondContact CB-OG1 3.44Å; L119-T131 PolarHBondContact N-O 3.36Å; L119-T131 PolarHBondContact O-N 2.91Å; F121-T131 HydrophobicContact CE2-CG2 4.32Å; F129-T131 HydrophobicContact CD1-CG2 3.38Å; F129-T131 HydrophobicContact CE1-CG2 2.99Å; F129-T131 HydrophobicContact CG-CG2 4.47Å; F129-T131 HydrophobicContact CZ-CG2 3.82Å; T131-L161 HydrophobicContact CG2-CD1 4.45Å
132R94Very high93Very high125 Ų12563.9 Ų63.947%0.47230%0.299SS..EExtended strand (participates in β ladder)trans-103.8134.4-178.5-153.8-179.8-173.5173.89.3111.5R117 W118R117-R132 HydrophobicContact CB-CG 4.43Å; R117-R132 CarbonylContact O-C 3.54Å; R117-R132 WeakPolarHBondContact O-CA 3.39Å; R117-R132 WeakPolarHBondContact O-CG 3.24Å; W118-R132 HydrophobicContact CD2-CB 4.27Å; W118-R132 HydrophobicContact CD2-CG 4.03Å; W118-R132 HydrophobicContact CE3-CB 3.66Å; W118-R132 HydrophobicContact CE3-CG 3.93Å; W118-R132 HydrophobicContact CH2-CB 4Å; W118-R132 HydrophobicContact CH2-CG 4.16Å; W118-R132 HydrophobicContact CZ2-CG 4.23Å; W118-R132 HydrophobicContact CZ3-CB 3.52Å; W118-R132 HydrophobicContact CZ3-CG 4.02Å
133I93.1Very high92.9Very high2 Ų263.4 Ų63.41%0.0130%0.297CS..  trans-89.9143.4167.8-57.8165.5000108.7L113 R117 L119 K135 A151 Y159L113-I133 HydrophobicContact CD1-CD1 3.83Å; R117-I133 WeakPolarHBondContact CB-O 3.24Å; R117-I133 PolarHBondContact O-N 3.01Å; L119-I133 HydrophobicContact CD1-CD1 3.68Å; L119-I133 HydrophobicContact CD1-CG1 3.88Å; L119-I133 HydrophobicContact CD2-CD1 4.12Å; L119-I133 HydrophobicContact CG-CD1 3.6Å; L119-I133 HydrophobicContact CG-CG1 4.03Å; I133-K135 VanDerWaalsContact C-N 3.28Å; I133-K135 PolarHBondContact O-N 3.29Å; I133-A151 HydrophobicContact CD1-CB 3.52Å; I133-A151 HydrophobicContact CG1-CB 4.45Å; I133-Y159 HydrophobicContact CG2-CD2 3.21Å; I133-Y159 HydrophobicContact CG2-CE2 3.55Å; I133-Y159 HydrophobicContact CG2-CG 3.76Å
134P92.4Very high92.7Very high73 Ų7367 Ų6747%0.47431%0.311SS..SBendtrans-58.9-35.1-179.9-27.135.9000114.4R117 Y159R117-P134 PolarHBondContact NH1-O 3.24Å; P134-Y159 HydrophobicContact CB-CE1 4.21Å; P134-Y159 HydrophobicContact CG-CD1 4.25Å; P134-Y159 HydrophobicContact CG-CE1 3.69Å
135K93.1Very high92.5Very high109 Ų10966.2 Ų66.247%0.47432%0.316SS..SBendtrans-122.9166.3-174.8-60.6-70.5-175.7173.60111.6R117 I133 G137 Y159R117-K135 VanDerWaalsContact CD-C 3.43Å; R117-K135 WeakPolarHBondContact CG-O 3.16Å; I133-K135 VanDerWaalsContact C-N 3.28Å; I133-K135 PolarHBondContact O-N 3.29Å; K135-G137 PolarHBondContact O-N 3.24Å; K135-Y159 HydrophobicContact CB-CE2 4.18Å; K135-Y159 HydrophobicContact CG-CE2 4.48Å; K135-Y159 VanDerWaalsContact CG-OH 3.26Å; K135-Y159 WeakPolarHBondContact CG-OH 3.3Å
136F94.5Very high92.4Very high115 Ų11563 Ų6350%0.50430%0.295SS..  trans-63.9120.4177.8-68.7-77.3000110.8E115 R117 G153 A154E115-F136 WeakPolarHBondContact O-CD1 3.28Å; R117-F136 HydrophobicContact CG-CB 4.49Å; R117-F136 HydrophobicContact CG-CD1 3.64Å; R117-F136 HydrophobicContact CG-CE1 3.99Å; R117-F136 HydrophobicContact CG-CG 4.04Å; F136-G153 CarbonylContact O-C 3.49Å; F136-G153 WeakPolarHBondContact O-CA 3.14Å; F136-A154 HydrophobicContact CB-CB 4.39Å; F136-A154 PolarHBondContact O-N 3.35Å
137G91.7Very high92.4Very high6 Ų664.2 Ų64.26%0.06230%0.301CS..EExtended strand (participates in β ladder)trans-82.4142.8174.900000111.1I98 K135 V152I98-G137 WeakPolarHBondContact CD1-O 3.48Å; K135-G137 PolarHBondContact O-N 3.24Å; G137-V152 CarbonylContact C-O 3.43Å; G137-V152 VanDerWaalsContact CA-O 3.31Å; G137-V152 WeakPolarHBondContact CA-O 3.47Å
138R91.3Very high92.5Very high86 Ų8660.1 Ų60.133%0.32528%0.282SS..EExtended strand (participates in β ladder)trans-111.2-38.3172-70.5-175172156.7-0.1111.2I98 V152 L180 D196I98-R138 WeakPolarHBondContact CG2-O 3.15Å; R138-V152 PolarHBondContact N-O 3.1Å; R138-L180 WeakPolarHBondContact CB-O 3.39Å; R138-D196 IonicContact NH1-OD1 3.62Å; R138-D196 PolarHBondContact NH1-OD1 3.4Å; R138-D196 IonicContact NH1-OD2 2.9Å
139D93.1Very high92.6Very high14 Ų1452 Ų528%0.07525%0.25CC..EExtended strand (participates in β ladder)trans-145.4157.3-177.8-160.8-9.2000110.2K99 V152 S181 C182K99-D139 WeakPolarHBondContact CD-OD1 3.3Å; K99-D139 VanDerWaalsContact CE-OD1 3.23Å; K99-D139 WeakPolarHBondContact CE-OD1 3.34Å; K99-D139 IonicContact NZ-OD1 3.99Å; K99-D139 PolarHBondContact NZ-OD1 3.46Å; K99-D139 IonicContact NZ-OD2 2.77Å; K99-D139 PolarHBondContact NZ-OD2 3.13Å; K99-D139 VanDerWaalsContact NZ-OD2 3.14Å; D139-V152 PolarHBondContact N-O 3.43Å; D139-V152 PolarHBondContact O-N 2.9Å; D139-S181 WeakPolarHBondContact OD2-CA 3.35Å; D139-C182 VanDerWaalsContact CG-SG 3.59Å; D139-C182 PolarHBondContact OD2-N 2.95Å
140F94.5Very high92.6Very high2 Ų246.5 Ų46.51%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-146.4153.7167.377.1-81.5000110.9K99 K101 V111 L113 L149 Y150 A151 C182K99-F140 HydrophobicContact CB-CD1 4.14Å; K99-F140 HydrophobicContact CB-CE1 3.88Å; K99-F140 HydrophobicContact CG-CD1 4.47Å; K99-F140 HydrophobicContact CG-CE1 4.15Å; K99-F140 WeakPolarHBondContact O-CE1 3.18Å; K101-F140 HydrophobicContact CB-CE2 3.66Å; K101-F140 HydrophobicContact CB-CZ 3.72Å; V111-F140 HydrophobicContact CB-CE2 4.08Å; V111-F140 HydrophobicContact CB-CZ 4.2Å; V111-F140 HydrophobicContact CG1-CE2 4.14Å; V111-F140 HydrophobicContact CG1-CZ 4.28Å; L113-F140 HydrophobicContact CB-CD1 3.57Å; L113-F140 HydrophobicContact CB-CE1 3.72Å; L113-F140 HydrophobicContact CD2-CD1 4.32Å; L113-F140 HydrophobicContact CG-CD1 4.44Å; F140-L149 HydrophobicContact CB-CD2 4.12Å; F140-L149 HydrophobicContact CD2-CD1 3.85Å; F140-L149 HydrophobicContact CD2-CD2 3.98Å; F140-L149 HydrophobicContact CD2-CG 3.91Å; F140-L149 HydrophobicContact CE2-CD1 4.04Å; F140-L149 HydrophobicContact CG-CD2 4.4Å; F140-Y150 CarbonylContact C-O 3.31Å; F140-Y150 WeakPolarHBondContact CA-O 3.41Å; F140-Y150 VanDerWaalsContact CB-O 3.31Å; F140-Y150 WeakPolarHBondContact CB-O 3.41Å; F140-A151 HydrophobicContact CB-CB 4.21Å; F140-C182 VanDerWaalsContact C-SG 3.5Å; F140-C182 VanDerWaalsContact CA-SG 3.58Å
141A93.6Very high92.6Very high4 Ų444.4 Ų44.43%0.03322%0.217CC..EExtended strand (participates in β ladder)trans-133.7150.6174.700000110.5Y150 V184 F191A141-Y150 PolarHBondContact N-O 3.06Å; A141-Y150 PolarHBondContact O-N 3.4Å; A141-V184 HydrophobicContact CB-CB 4.44Å; A141-V184 HydrophobicContact CB-CG2 3.54Å; A141-F191 HydrophobicContact CB-CE2 4.16Å
142Y93.8Very high92.5Very high23 Ų2343.7 Ų43.79%0.0921%0.212CC..EExtended strand (participates in β ladder)trans-112.2130.8177.7174.8-116.8000110.1K101 L103 E144 E148 L163K101-Y142 PolarHBondContact NZ-O 3.46Å; L103-Y142 HydrophobicContact CD2-CD1 3.46Å; L103-Y142 VanDerWaalsContact CD2-CD1 3.46Å; L103-Y142 HydrophobicContact CD2-CD2 3.77Å; L103-Y142 HydrophobicContact CD2-CE1 3.84Å; L103-Y142 HydrophobicContact CD2-CE2 4.14Å; L103-Y142 HydrophobicContact CD2-CG 3.41Å; L103-Y142 VanDerWaalsContact CD2-CG 3.41Å; Y142-E144 HydrophobicContact CD1-CG 3.88Å; Y142-E144 HydrophobicContact CE1-CB 4.33Å; Y142-E144 HydrophobicContact CE1-CG 3.61Å; Y142-E148 WeakPolarHBondContact CD2-O 3.41Å; Y142-L163 HydrophobicContact CD2-CD1 3.98Å; Y142-L163 HydrophobicContact CE2-CD1 3.45Å; Y142-L163 VanDerWaalsContact CE2-CD1 3.45Å; Y142-L163 HydrophobicContact CE2-CG 4.39Å
143I92.6Very high92.3Very high1 Ų137.8 Ų37.81%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-99111.5173.3-52-164.1000108.8S145 K146 C147 E148 Y150 V184 F191I143-S145 VanDerWaalsContact CG2-OG 3.28Å; I143-S145 WeakPolarHBondContact CG2-OG 3.31Å; I143-K146 HydrophobicContact CG2-CB 4.4Å; I143-C147 WeakPolarHBondContact O-CA 3.43Å; I143-C147 PolarHBondContact O-N 3.42Å; I143-E148 PolarHBondContact N-O 3.29Å; I143-E148 PolarHBondContact O-N 2.91Å; I143-Y150 HydrophobicContact CB-CE2 4.47Å; I143-Y150 HydrophobicContact CD1-CD2 3.76Å; I143-Y150 HydrophobicContact CD1-CE2 3.18Å; I143-Y150 HydrophobicContact CG1-CD2 3.76Å; I143-Y150 HydrophobicContact CG1-CE2 3.6Å; I143-V184 HydrophobicContact CB-CG1 4.47Å; I143-V184 HydrophobicContact CD1-CG1 4.33Å; I143-V184 HydrophobicContact CD1-CG2 4.25Å; I143-V184 HydrophobicContact CG1-CB 4.45Å; I143-V184 HydrophobicContact CG1-CG1 3.85Å; I143-V184 HydrophobicContact CG1-CG2 3.71Å; I143-F191 HydrophobicContact CD1-CB 4.47Å
144E89.1Confident92.2Very high121 Ų12139.6 Ų39.657%0.56521%0.206SC*.THydrogen-bonded Turntrans-66.3-38.8-178.6-72.3164.3-158.500112.5Y142 K146 C147Y142-E144 HydrophobicContact CD1-CG 3.88Å; Y142-E144 HydrophobicContact CE1-CB 4.33Å; Y142-E144 HydrophobicContact CE1-CG 3.61Å; E144-K146 VanDerWaalsContact C-N 3.29Å; E144-K146 PolarHBondContact O-N 3.4Å; E144-C147 PolarHBondContact O-N 3.08Å
145S88.6Confident92Very high82 Ų8236.3 Ų36.357%0.57319%0.185SC*.THydrogen-bonded Turntrans-65.1-28.6-176.260.60000114.5I143 S189I143-S145 VanDerWaalsContact CG2-OG 3.28Å; I143-S145 WeakPolarHBondContact CG2-OG 3.31Å; S145-S189 PolarHBondContact OG-OG 3.21Å
146K87.8Confident91.8Very high90 Ų9033.3 Ų33.339%0.39118%0.176SC..THydrogen-bonded Turntrans-111.1-5.4-179-63.7-171.9178.7-1730113.6I143 E144 E148 Y204I143-K146 HydrophobicContact CG2-CB 4.4Å; E144-K146 VanDerWaalsContact C-N 3.29Å; E144-K146 PolarHBondContact O-N 3.4Å; K146-E148 HydrophobicContact CB-CB 4.31Å; K146-E148 HydrophobicContact CB-CG 4Å; K146-E148 PolarHBondContact O-N 3.44Å; K146-Y204 PolarHBondContact NZ-OH 3.08Å
147C91.3Very high91.7Very high43 Ų4329.9 Ų29.929%0.29116%0.163SC..THydrogen-bonded Turntrans53.435.8-169.3-61.30000113.3I143 E144 L163 E164I143-C147 WeakPolarHBondContact O-CA 3.43Å; I143-C147 PolarHBondContact O-N 3.42Å; E144-C147 PolarHBondContact O-N 3.08Å; C147-L163 WeakPolarHBondContact O-CB 3.22Å; C147-L163 PolarHBondContact O-N 3.48Å; C147-E164 HydrophobicContact CB-CB 4.42Å
148E93.3Very high91.7Very high17 Ų1729.6 Ų29.68%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-108.6133.1-179.2-72-176.8177.500111.5Y142 I143 K146 Y150 L161 N162Y142-E148 WeakPolarHBondContact CD2-O 3.41Å; I143-E148 PolarHBondContact N-O 3.29Å; I143-E148 PolarHBondContact O-N 2.91Å; K146-E148 HydrophobicContact CB-CB 4.31Å; K146-E148 HydrophobicContact CB-CG 4Å; K146-E148 PolarHBondContact O-N 3.44Å; E148-Y150 HydrophobicContact CB-CD2 4.3Å; E148-Y150 HydrophobicContact CB-CE2 3.74Å; E148-Y150 PolarHBondContact OE2-OH 3.36Å; E148-L161 WeakPolarHBondContact CA-O 3.13Å; E148-N162 HydrophobicContact CG-CB 4.18Å
149L94.3Very high91.8Very high1 Ų126.7 Ų26.71%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-99.2124.9171.5-170155.6000109.7V111 L119 F121 F140 A151 R160 L161V111-L149 HydrophobicContact CB-CD1 4.22Å; V111-L149 HydrophobicContact CG1-CD1 3.67Å; V111-L149 HydrophobicContact CG2-CD1 4.17Å; L119-L149 HydrophobicContact CD1-CD2 3.91Å; L119-L149 HydrophobicContact CD2-CD2 4.47Å; F121-L149 HydrophobicContact CE1-CD1 4.39Å; F121-L149 HydrophobicContact CZ-CD1 4.44Å; F140-L149 HydrophobicContact CB-CD2 4.12Å; F140-L149 HydrophobicContact CD2-CD1 3.85Å; F140-L149 HydrophobicContact CD2-CD2 3.98Å; F140-L149 HydrophobicContact CD2-CG 3.91Å; F140-L149 HydrophobicContact CE2-CD1 4.04Å; F140-L149 HydrophobicContact CG-CD2 4.4Å; L149-A151 HydrophobicContact CD2-CB 4.1Å; L149-R160 CarbonylContact O-C 3.56Å; L149-R160 WeakPolarHBondContact O-CA 3.43Å; L149-L161 PolarHBondContact N-O 3.3Å; L149-L161 PolarHBondContact O-N 3.01Å
150Y93.5Very high91.8Very high0 Ų028 Ų280%015%0.153CC..EExtended strand (participates in β ladder)trans-104.7115.5177.2-72.6-108.9000108.9F140 A141 I143 E148 I158 Y159 R160 L172 F191 Y204F140-Y150 CarbonylContact C-O 3.31Å; F140-Y150 WeakPolarHBondContact CA-O 3.41Å; F140-Y150 VanDerWaalsContact CB-O 3.31Å; F140-Y150 WeakPolarHBondContact CB-O 3.41Å; A141-Y150 PolarHBondContact N-O 3.06Å; A141-Y150 PolarHBondContact O-N 3.4Å; I143-Y150 HydrophobicContact CB-CE2 4.47Å; I143-Y150 HydrophobicContact CD1-CD2 3.76Å; I143-Y150 HydrophobicContact CD1-CE2 3.18Å; I143-Y150 HydrophobicContact CG1-CD2 3.76Å; I143-Y150 HydrophobicContact CG1-CE2 3.6Å; E148-Y150 HydrophobicContact CB-CD2 4.3Å; E148-Y150 HydrophobicContact CB-CE2 3.74Å; E148-Y150 PolarHBondContact OE2-OH 3.36Å; Y150-I158 HydrophobicContact CD1-CG2 3.71Å; Y150-I158 HydrophobicContact CG-CG2 4.46Å; Y150-Y159 WeakPolarHBondContact CA-O 3.36Å; Y150-R160 HydrophobicContact CD1-CG 3.73Å; Y150-R160 VanDerWaalsContact CE1-CD 3.46Å; Y150-R160 HydrophobicContact CE1-CG 3.53Å; Y150-R160 HydrophobicContact CG-CG 4.38Å; Y150-L172 HydrophobicContact CE1-CD1 3.81Å; Y150-F191 AromaticContact CD1-CD1 3.86Å; Y150-F191 HydrophobicContact CD1-CD1 3.86Å; Y150-F191 HydrophobicContact CD1-CD2 4.48Å; Y150-F191 AromaticContact CD1-CE1 3.71Å; Y150-F191 HydrophobicContact CD1-CE1 3.71Å; Y150-F191 HydrophobicContact CD1-CE2 4.32Å; Y150-F191 HydrophobicContact CD1-CG 4.23Å; Y150-F191 AromaticContact CD1-CZ 3.93Å; Y150-F191 HydrophobicContact CD1-CZ 3.93Å; Y150-F191 HydrophobicContact CE1-CD1 4.17Å; Y150-F191 HydrophobicContact CE1-CE1 4.42Å; Y150-F191 HydrophobicContact CG-CD2 4.36Å; Y150-F191 HydrophobicContact CG-CE1 4.3Å; Y150-F191 HydrophobicContact CG-CE2 4.11Å; Y150-F191 HydrophobicContact CG-CZ 4.08Å; Y150-Y204 PolarHBondContact OH-OH 3.41Å
151A93.9Very high91.8Very high2 Ų228.3 Ų28.32%0.01716%0.155CC..EExtended strand (participates in β ladder)trans-108136.6176.300000110.8I133 F140 L149 Y159I133-A151 HydrophobicContact CD1-CB 3.52Å; I133-A151 HydrophobicContact CG1-CB 4.45Å; F140-A151 HydrophobicContact CB-CB 4.21Å; L149-A151 HydrophobicContact CD2-CB 4.1Å; A151-Y159 PolarHBondContact N-O 3.35Å; A151-Y159 PolarHBondContact O-N 3.38Å
152V92.5Very high91.9Very high1 Ų128.8 Ų28.81%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-128.8145.5-168.7177.30000109.1G137 R138 D139 I158 L179 C182 F191G137-V152 CarbonylContact C-O 3.43Å; G137-V152 VanDerWaalsContact CA-O 3.31Å; G137-V152 WeakPolarHBondContact CA-O 3.47Å; R138-V152 PolarHBondContact N-O 3.1Å; D139-V152 PolarHBondContact N-O 3.43Å; D139-V152 PolarHBondContact O-N 2.9Å; V152-I158 HydrophobicContact CG2-CG1 4.45Å; V152-I158 HydrophobicContact CG2-CG2 4.16Å; V152-L179 HydrophobicContact CB-CB 4.49Å; V152-L179 HydrophobicContact CG1-CB 3.07Å; V152-L179 HydrophobicContact CG1-CD1 3.88Å; V152-L179 HydrophobicContact CG1-CG 4.08Å; V152-C182 HydrophobicContact CB-CB 4.34Å; V152-C182 HydrophobicContact CG2-CB 3.76Å; V152-F191 HydrophobicContact CG2-CZ 3.86Å
153G89.4Confident91.8Very high2 Ų230.1 Ų30.12%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-170.9-155.4-171.100000116.4F136 S155 L179F136-G153 CarbonylContact O-C 3.49Å; F136-G153 WeakPolarHBondContact O-CA 3.14Å; G153-S155 PolarHBondContact O-N 3.19Å; G153-L179 CarbonylContact C-O 3.49Å; G153-L179 PolarHBondContact O-N 2.99Å
154A90.8Very high91.8Very high39 Ų3937.5 Ų37.532%0.32220%0.2SC..SBendtrans-74.240.8179.800000113.2F136F136-A154 HydrophobicContact CB-CB 4.39Å; F136-A154 PolarHBondContact O-N 3.35Å
155S89.8Confident92Very high5 Ų536.8 Ų36.84%0.03520%0.2CC..SBendtrans-148155.517751.50000110.9G153 D157G153-S155 PolarHBondContact O-N 3.19Å; S155-D157 PolarHBondContact O-N 3.32Å; S155-D157 PolarHBondContact OG-O 2.92Å
156P89Confident92.1Very high45 Ų4535.7 Ų35.729%0.29220%0.201SC..SBendtrans-65.6-19.2169.226.3-35000112.6T174 G176P156-T174 WeakPolarHBondContact O-CB 3.45Å; P156-T174 PolarHBondContact O-N 3.29Å; P156-T174 PolarHBondContact O-OG1 3.4Å; P156-G176 WeakPolarHBondContact CA-O 3.26Å; P156-G176 VanDerWaalsContact CB-O 3.24Å; P156-G176 WeakPolarHBondContact CB-O 3.28Å
157D90.8Very high92.4Very high44 Ų4437.3 Ų37.324%0.23521%0.21CC..EExtended strand (participates in β ladder)trans-83.6131.7-175.1-59.6-24.5000111.2S155 Y159 L172S155-D157 PolarHBondContact O-N 3.32Å; S155-D157 PolarHBondContact OG-O 2.92Å; D157-Y159 HydrophobicContact CB-CE1 4.16Å; D157-L172 WeakPolarHBondContact CA-O 3.44Å
158I92.5Very high92.4Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-95.3119167.8-56.6151.7000108.2Y150 V152 S171 L172 T174 L179 F191 V203Y150-I158 HydrophobicContact CD1-CG2 3.71Å; Y150-I158 HydrophobicContact CG-CG2 4.46Å; V152-I158 HydrophobicContact CG2-CG1 4.45Å; V152-I158 HydrophobicContact CG2-CG2 4.16Å; I158-S171 VanDerWaalsContact O-CA 3.26Å; I158-S171 WeakPolarHBondContact O-CA 3.41Å; I158-S171 WeakPolarHBondContact O-CB 3.35Å; I158-L172 HydrophobicContact CB-CB 4.24Å; I158-L172 HydrophobicContact CD1-CB 4.15Å; I158-L172 PolarHBondContact N-O 2.85Å; I158-L172 PolarHBondContact O-N 3.14Å; I158-T174 HydrophobicContact CD1-CG2 3.49Å; I158-T174 VanDerWaalsContact CD1-CG2 3.49Å; I158-T174 HydrophobicContact CG1-CG2 4.13Å; I158-L179 HydrophobicContact CD1-CD1 4.49Å; I158-L179 HydrophobicContact CG1-CD1 3.62Å; I158-F191 HydrophobicContact CD1-CE1 3.88Å; I158-F191 HydrophobicContact CG1-CE1 4.34Å; I158-F191 HydrophobicContact CG2-CE1 3.82Å; I158-F191 HydrophobicContact CG2-CZ 4.05Å; I158-V203 HydrophobicContact CD1-CG2 3.67Å
159Y93.8Very high92.4Very high25 Ų2542 Ų4210%0.09823%0.228CC..EExtended strand (participates in β ladder)trans-86.5122.5-179.5-59.6-70.2000110I133 P134 K135 Y150 A151 D157I133-Y159 HydrophobicContact CG2-CD2 3.21Å; I133-Y159 HydrophobicContact CG2-CE2 3.55Å; I133-Y159 HydrophobicContact CG2-CG 3.76Å; P134-Y159 HydrophobicContact CB-CE1 4.21Å; P134-Y159 HydrophobicContact CG-CD1 4.25Å; P134-Y159 HydrophobicContact CG-CE1 3.69Å; K135-Y159 HydrophobicContact CB-CE2 4.18Å; K135-Y159 HydrophobicContact CG-CE2 4.48Å; K135-Y159 VanDerWaalsContact CG-OH 3.26Å; K135-Y159 WeakPolarHBondContact CG-OH 3.3Å; Y150-Y159 WeakPolarHBondContact CA-O 3.36Å; A151-Y159 PolarHBondContact N-O 3.35Å; A151-Y159 PolarHBondContact O-N 3.38Å; D157-Y159 HydrophobicContact CB-CE1 4.16Å
160R93.7Very high92.3Very high40 Ų4046.3 Ų46.315%0.15126%0.256CS..EExtended strand (participates in β ladder)trans-105.1121.4179.1-67.1-171-70176.8-7.8109.8L149 Y150 F168 M169 P170 L172L149-R160 CarbonylContact O-C 3.56Å; L149-R160 WeakPolarHBondContact O-CA 3.43Å; Y150-R160 HydrophobicContact CD1-CG 3.73Å; Y150-R160 VanDerWaalsContact CE1-CD 3.46Å; Y150-R160 HydrophobicContact CE1-CG 3.53Å; Y150-R160 HydrophobicContact CG-CG 4.38Å; R160-F168 CarbonylContact O-C 3.43Å; R160-F168 WeakPolarHBondContact O-CA 3.12Å; R160-M169 HydrophobicContact CB-CB 3.81Å; R160-M169 PolarHBondContact O-N 2.98Å; R160-P170 PolarHBondContact NE-O 2.75Å; R160-P170 PolarHBondContact NH2-O 3.29Å; R160-L172 HydrophobicContact CG-CD1 4.22Å
161L94.5Very high92.1Very high10 Ų1048.7 Ų48.75%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-116.6114175.7-178.4141.1000108.6F121 T131 E148 L149 L163 F168F121-L161 HydrophobicContact CZ-CD2 3.86Å; T131-L161 HydrophobicContact CG2-CD1 4.45Å; E148-L161 WeakPolarHBondContact CA-O 3.13Å; L149-L161 PolarHBondContact N-O 3.3Å; L149-L161 PolarHBondContact O-N 3.01Å; L161-L163 HydrophobicContact CD2-CD2 3.25Å; L161-L163 HydrophobicContact CD2-CG 4.14Å; L161-F168 HydrophobicContact CB-CD1 3.93Å; L161-F168 HydrophobicContact CB-CE1 3.87Å; L161-F168 HydrophobicContact CD1-CD1 4.11Å; L161-F168 HydrophobicContact CD1-CD2 4.38Å; L161-F168 HydrophobicContact CD1-CE1 3.6Å; L161-F168 HydrophobicContact CD1-CE2 3.89Å; L161-F168 HydrophobicContact CD1-CG 4.48Å; L161-F168 HydrophobicContact CD1-CZ 3.48Å; L161-F168 VanDerWaalsContact CD1-CZ 3.48Å; L161-F168 HydrophobicContact CG-CD1 4.43Å; L161-F168 HydrophobicContact CG-CE1 4.28Å
162N94.6Very high91.8Very high13 Ų1350.7 Ų50.77%0.0728%0.282CS..EExtended strand (participates in β ladder)trans-82.5120.4175.9-174.7-21000108.8E148 E164 L165 G166 Q167 M169E148-N162 HydrophobicContact CG-CB 4.18Å; N162-E164 WeakPolarHBondContact OD1-CB 3.46Å; N162-E164 PolarHBondContact OD1-N 3.35Å; N162-L165 PolarHBondContact OD1-N 2.71Å; N162-G166 VanDerWaalsContact O-CA 3.28Å; N162-G166 WeakPolarHBondContact O-CA 3.41Å; N162-G166 PolarHBondContact O-N 2.84Å; N162-Q167 PolarHBondContact N-O 3.25Å; N162-Q167 PolarHBondContact O-N 3.24Å; N162-M169 HydrophobicContact CB-CG 3.97Å
163L92.5Very high91.5Very high52 Ų5256.1 Ų56.127%0.27232%0.315SS..THydrogen-bonded Turntrans-79.2-22.4-178.4-62.3179.4000113.3L103 F121 Y142 C147 L161L103-L163 HydrophobicContact CD1-CD1 3.67Å; L103-L163 HydrophobicContact CD2-CD1 4.43Å; F121-L163 HydrophobicContact CD1-CD2 4.3Å; F121-L163 HydrophobicContact CE1-CD2 3.38Å; F121-L163 HydrophobicContact CZ-CD2 3.71Å; Y142-L163 HydrophobicContact CD2-CD1 3.98Å; Y142-L163 HydrophobicContact CE2-CD1 3.45Å; Y142-L163 VanDerWaalsContact CE2-CD1 3.45Å; Y142-L163 HydrophobicContact CE2-CG 4.39Å; C147-L163 WeakPolarHBondContact O-CB 3.22Å; C147-L163 PolarHBondContact O-N 3.48Å; L161-L163 HydrophobicContact CD2-CD2 3.25Å; L161-L163 HydrophobicContact CD2-CG 4.14Å
164E92.4Very high91.2Very high155 Ų15556.9 Ų56.972%0.72432%0.319SS*.THydrogen-bonded Turntrans-74.2-46.3176.8-172.8178.6-174.400110.9C147 N162C147-E164 HydrophobicContact CB-CB 4.42Å; N162-E164 WeakPolarHBondContact OD1-CB 3.46Å; N162-E164 PolarHBondContact OD1-N 3.35Å
165L92.7Very high90.6Very high107 Ų10758.4 Ų58.456%0.5633%0.328SS*.THydrogen-bonded Turntrans-84.5-21.8178.2-61.7179.2000113.3N162 Q167N162-L165 PolarHBondContact OD1-N 2.71Å; L165-Q167 VanDerWaalsContact C-N 3.32Å
166G91.1Very high90Very high59 Ų5958.2 Ų58.261%0.60833%0.326SS*.THydrogen-bonded Turntrans7025.7-174.700000113.9N162N162-G166 VanDerWaalsContact O-CA 3.28Å; N162-G166 WeakPolarHBondContact O-CA 3.41Å; N162-G166 PolarHBondContact O-N 2.84Å
167Q92.9Very high89.7Confident124 Ų12459.4 Ų59.458%0.57934%0.336SS*.EExtended strand (participates in β ladder)trans-124.2150.2-175.5-64.5-179.16.300111.6N162 L165 M169N162-Q167 PolarHBondContact N-O 3.25Å; N162-Q167 PolarHBondContact O-N 3.24Å; L165-Q167 VanDerWaalsContact C-N 3.32Å; Q167-M169 PolarHBondContact O-N 3.05Å
168F93.2Very high89.5Confident96 Ų9660.1 Ų60.142%0.42134%0.338SS..EExtended strand (participates in β ladder)trans-74.1122.2167.1-76.2-78.4000109.6R160 L161R160-F168 CarbonylContact O-C 3.43Å; R160-F168 WeakPolarHBondContact O-CA 3.12Å; L161-F168 HydrophobicContact CB-CD1 3.93Å; L161-F168 HydrophobicContact CB-CE1 3.87Å; L161-F168 HydrophobicContact CD1-CD1 4.11Å; L161-F168 HydrophobicContact CD1-CD2 4.38Å; L161-F168 HydrophobicContact CD1-CE1 3.6Å; L161-F168 HydrophobicContact CD1-CE2 3.89Å; L161-F168 HydrophobicContact CD1-CG 4.48Å; L161-F168 HydrophobicContact CD1-CZ 3.48Å; L161-F168 VanDerWaalsContact CD1-CZ 3.48Å; L161-F168 HydrophobicContact CG-CD1 4.43Å; L161-F168 HydrophobicContact CG-CE1 4.28Å
169M92.2Very high89.4Confident63 Ų6360.1 Ų60.131%0.3134%0.338SS..EExtended strand (participates in β ladder)trans-77158.3169.6-66.5-62.7-78.400109.2R160 N162 Q167 S171R160-M169 HydrophobicContact CB-CB 3.81Å; R160-M169 PolarHBondContact O-N 2.98Å; N162-M169 HydrophobicContact CB-CG 3.97Å; Q167-M169 PolarHBondContact O-N 3.05Å; M169-S171 PolarHBondContact O-N 3.3Å
170P91.4Very high89.1Confident91 Ų9160.1 Ų60.159%0.59134%0.339SS*.EExtended strand (participates in β ladder)trans-52.7131.417817.2-29.2000110.5R160R160-P170 PolarHBondContact NE-O 2.75Å; R160-P170 PolarHBondContact NH2-O 3.29Å
171S90Very high88.9Confident50 Ų5058.3 Ų58.335%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-63.4151.8179.650.70000110.9I158 M169I158-S171 VanDerWaalsContact O-CA 3.26Å; I158-S171 WeakPolarHBondContact O-CA 3.41Å; I158-S171 WeakPolarHBondContact O-CB 3.35Å; M169-S171 PolarHBondContact O-N 3.3Å
172L88.7Confident88.8Confident44 Ų4457.8 Ų57.823%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-97.8124.1173.7-62.5158.9000108Y150 D157 I158 R160 V203Y150-L172 HydrophobicContact CE1-CD1 3.81Å; D157-L172 WeakPolarHBondContact CA-O 3.44Å; I158-L172 HydrophobicContact CB-CB 4.24Å; I158-L172 HydrophobicContact CD1-CB 4.15Å; I158-L172 PolarHBondContact N-O 2.85Å; I158-L172 PolarHBondContact O-N 3.14Å; R160-L172 HydrophobicContact CG-CD1 4.22Å; L172-V203 HydrophobicContact CD1-CG1 3.41Å; L172-V203 VanDerWaalsContact CD1-CG1 3.41Å; L172-V203 HydrophobicContact CG-CG1 4.43Å
173V86.4Confident88.7Confident114 Ų11457.8 Ų57.869%0.69133%0.33SS*.EExtended strand (participates in β ladder)trans-90.1125.3-179.1-174.10000108.6
174T82.4Confident88.6Confident18 Ų1856 Ų5611%0.1132%0.321CS..PPolyproline II helixtrans-101.7165.1173.764.20000111.6P156 I158 L179 L201P156-T174 WeakPolarHBondContact O-CB 3.45Å; P156-T174 PolarHBondContact O-N 3.29Å; P156-T174 PolarHBondContact O-OG1 3.4Å; I158-T174 HydrophobicContact CD1-CG2 3.49Å; I158-T174 VanDerWaalsContact CD1-CG2 3.49Å; I158-T174 HydrophobicContact CG1-CG2 4.13Å; T174-L179 HydrophobicContact CG2-CD1 4.36Å; T174-L179 HydrophobicContact CG2-CD2 4.42Å; T174-L201 VanDerWaalsContact CB-CD1 3.42Å; T174-L201 HydrophobicContact CG2-CD1 3.78Å
175S78.9Confident88.5Confident71 Ų7148.8 Ų48.850%0.49729%0.288SS..SBendtrans-77.3-20.1179.151.80000114.2
176G76.1Confident88Confident1 Ų149.1 Ų49.11%0.0129%0.294CS..SBendtrans-83.2148.6-173.800000113.2P156 Q178P156-G176 WeakPolarHBondContact CA-O 3.26Å; P156-G176 VanDerWaalsContact CB-O 3.24Å; P156-G176 WeakPolarHBondContact CB-O 3.28Å; G176-Q178 PolarHBondContact O-N 2.97Å
177S83Confident87.8Confident70 Ų7051.3 Ų51.349%0.4929%0.289SS..SBendtrans-60.6-43.3178.4178.40000113.6E197S177-E197 VanDerWaalsContact CB-OE1 3.28Å; S177-E197 WeakPolarHBondContact CB-OE1 3.42Å
178Q86.9Confident87.4Confident60 Ų6050.5 Ų50.528%0.2829%0.285SS..  trans-141.3150.9-179.1-60.6-177.714.600110.2G176 T195 D196G176-Q178 PolarHBondContact O-N 2.97Å; Q178-T195 WeakPolarHBondContact O-CA 3.46Å; Q178-D196 PolarHBondContact O-N 2.82Å; Q178-D196 PolarHBondContact OE1-OD2 3.44Å
179L89.6Confident86.9Confident0 Ų047.1 Ų47.10%027%0.273CS..EExtended strand (participates in β ladder)trans-117128.1178.8-58169.2000109.1V152 G153 I158 T174 C193 G194 T195V152-L179 HydrophobicContact CB-CB 4.49Å; V152-L179 HydrophobicContact CG1-CB 3.07Å; V152-L179 HydrophobicContact CG1-CD1 3.88Å; V152-L179 HydrophobicContact CG1-CG 4.08Å; G153-L179 CarbonylContact C-O 3.49Å; G153-L179 PolarHBondContact O-N 2.99Å; I158-L179 HydrophobicContact CD1-CD1 4.49Å; I158-L179 HydrophobicContact CG1-CD1 3.62Å; T174-L179 HydrophobicContact CG2-CD1 4.36Å; T174-L179 HydrophobicContact CG2-CD2 4.42Å; L179-C193 HydrophobicContact CD2-CB 4.07Å; L179-G194 WeakPolarHBondContact CA-O 3.46Å; L179-T195 HydrophobicContact CD2-CG2 3.47Å; L179-T195 VanDerWaalsContact CD2-CG2 3.47Å
180L88.5Confident86.6Confident24 Ų2445.6 Ų45.613%0.12627%0.266CS..EExtended strand (participates in β ladder)trans-96-48.4-172.6-77.4158.3000112.4R138 G194 D196 I217 E233R138-L180 WeakPolarHBondContact CB-O 3.39Å; L180-G194 PolarHBondContact N-O 2.92Å; L180-D196 HydrophobicContact CD1-CB 4.48Å; L180-D196 WeakPolarHBondContact CD1-OD1 3.49Å; L180-D196 WeakPolarHBondContact CG-OD1 3.41Å; L180-I217 WeakPolarHBondContact CB-O 3.41Å; L180-I217 WeakPolarHBondContact CD1-O 3.05Å; L180-E233 WeakPolarHBondContact CD1-OE1 3.34Å
181S89.5Confident86.5Confident2 Ų241.3 Ų41.31%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-140.7154.9-169.157.70000111.5D139 C193 G194 I217 S218D139-S181 WeakPolarHBondContact OD2-CA 3.35Å; S181-C193 WeakPolarHBondContact O-CA 3.42Å; S181-G194 PolarHBondContact O-N 2.78Å; S181-I217 PolarHBondContact OG-O 2.89Å; S181-I217 VanDerWaalsContact OG-O 3.05Å; S181-S218 WeakPolarHBondContact CB-O 3.27Å
182C91.6Very high86.4Confident0 Ų039 Ų390%022%0.222CC..EExtended strand (participates in β ladder)trans-147.7146.9175.7640000111.8D139 F140 V152 F191 V192D139-C182 VanDerWaalsContact CG-SG 3.59Å; D139-C182 PolarHBondContact OD2-N 2.95Å; F140-C182 VanDerWaalsContact C-SG 3.5Å; F140-C182 VanDerWaalsContact CA-SG 3.58Å; V152-C182 HydrophobicContact CB-CB 4.34Å; V152-C182 HydrophobicContact CG2-CB 3.76Å; C182-F191 HydrophobicContact CB-CE2 3.61Å; C182-F191 HydrophobicContact CB-CZ 3.76Å; C182-V192 VanDerWaalsContact CA-O 3.28Å; C182-V192 WeakPolarHBondContact CA-O 3.32Å
183D92.5Very high86.4Confident13 Ų1336.9 Ų36.97%0.0721%0.211CC..EExtended strand (participates in β ladder)trans-142.5158.6169.5-158.922.7000110.3V192 L220 K221 F222D183-V192 PolarHBondContact N-O 3.08Å; D183-V192 VanDerWaalsContact N-O 3.16Å; D183-V192 PolarHBondContact O-N 3.47Å; D183-L220 HydrophobicContact CB-CB 4.16Å; D183-K221 IonicContact OD1-NZ 2.82Å; D183-K221 PolarHBondContact OD1-NZ 2.82Å; D183-K221 VanDerWaalsContact OD2-CA 3.28Å; D183-K221 WeakPolarHBondContact OD2-CA 3.43Å; D183-K221 IonicContact OD2-NZ 2.65Å; D183-K221 PolarHBondContact OD2-NZ 2.65Å; D183-F222 HydrophobicContact CB-CD2 4.08Å; D183-F222 HydrophobicContact CB-CE2 4.44Å; D183-F222 PolarHBondContact OD2-N 3.16Å
184V90.9Very high86.5Confident14 Ų1431.5 Ų31.59%0.08518%0.178CC..EExtended strand (participates in β ladder)trans-122.1131.9178.9173.90000108.1A141 I143 L190 F191A141-V184 HydrophobicContact CB-CB 4.44Å; A141-V184 HydrophobicContact CB-CG2 3.54Å; I143-V184 HydrophobicContact CB-CG1 4.47Å; I143-V184 HydrophobicContact CD1-CG1 4.33Å; I143-V184 HydrophobicContact CD1-CG2 4.25Å; I143-V184 HydrophobicContact CG1-CB 4.45Å; I143-V184 HydrophobicContact CG1-CG1 3.85Å; I143-V184 HydrophobicContact CG1-CG2 3.71Å; V184-L190 WeakPolarHBondContact CA-O 3.41Å; V184-F191 HydrophobicContact CG2-CB 4.48Å; V184-F191 HydrophobicContact CG2-CD2 3.53Å; V184-F191 HydrophobicContact CG2-CE2 4.26Å; V184-F191 HydrophobicContact CG2-CG 4.46Å
185S89.2Confident86.6Confident3 Ų330.6 Ų30.62%0.02117%0.173CC..  trans-74.7129.3168.372.50000110.4E187 S189 L190S185-E187 VanDerWaalsContact C-N 3.32Å; S185-S189 WeakPolarHBondContact O-CA 3.35Å; S185-S189 PolarHBondContact O-N 3.35Å; S185-S189 PolarHBondContact OG-N 3.25Å; S185-L190 PolarHBondContact N-O 3.24Å; S185-L190 WeakPolarHBondContact OG-CB 3.41Å; S185-L190 PolarHBondContact OG-N 2.76Å
186T83.8Confident86.9Confident114 Ų11429.6 Ų29.670%0.69916%0.162SC*.THydrogen-bonded Turntrans-67.4-35.1178.449.80000111.8
187E85.7Confident86.7Confident105 Ų10535 Ų3549%0.49119%0.187SC..THydrogen-bonded Turntrans-78.6-39.3-172.3-63.5178.7-179.700113.8S185 A225S185-E187 VanDerWaalsContact C-N 3.32Å; E187-A225 HydrophobicContact CB-CB 4.23Å; E187-A225 WeakPolarHBondContact OE2-CA 3.29Å; E187-A225 WeakPolarHBondContact OE2-CB 3.27Å; E187-A225 PolarHBondContact OE2-N 3.49Å
188H84.4Confident85.7Confident107 Ų10732.8 Ų32.850%0.49517%0.17SC..THydrogen-bonded Turntrans-115.9-1.6-175-61.6-18.2000113L190 A225H188-L190 HydrophobicContact CB-CD1 4.16Å; H188-L190 HydrophobicContact CB-CG 4.02Å; H188-L190 PolarHBondContact O-N 3.32Å; H188-L190 VanDerWaalsContact O-N 3.15Å; H188-A225 VanDerWaalsContact CD2-CB 3.47Å; H188-A225 WeakPolarHBondContact CD2-CB 3.42Å; H188-A225 WeakPolarHBondContact NE2-CB 3.42Å
189S83.8Confident84.5Confident26 Ų2631 Ų3118%0.18216%0.163CC..  trans54.729.3-175.5-56.40000112.8S145 S185S145-S189 PolarHBondContact OG-OG 3.21Å; S185-S189 WeakPolarHBondContact O-CA 3.35Å; S185-S189 PolarHBondContact O-N 3.35Å; S185-S189 PolarHBondContact OG-N 3.25Å
190L86.3Confident83Confident31 Ų3131.6 Ų31.616%0.16217%0.167CC..  trans-77.4126.6175.5-71.8171.7000108.7V184 S185 H188 I242V184-L190 WeakPolarHBondContact CA-O 3.41Å; S185-L190 PolarHBondContact N-O 3.24Å; S185-L190 WeakPolarHBondContact OG-CB 3.41Å; S185-L190 PolarHBondContact OG-N 2.76Å; H188-L190 HydrophobicContact CB-CD1 4.16Å; H188-L190 HydrophobicContact CB-CG 4.02Å; H188-L190 PolarHBondContact O-N 3.32Å; H188-L190 VanDerWaalsContact O-N 3.15Å; L190-I242 HydrophobicContact CD1-CD1 4.29Å
191F88.3Confident81.6Confident1 Ų130.8 Ų30.80%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-103.2127.2177.7179-113000110.1A141 I143 Y150 V152 I158 C182 V184 C193 V203A141-F191 HydrophobicContact CB-CE2 4.16Å; I143-F191 HydrophobicContact CD1-CB 4.47Å; Y150-F191 AromaticContact CD1-CD1 3.86Å; Y150-F191 HydrophobicContact CD1-CD1 3.86Å; Y150-F191 HydrophobicContact CD1-CD2 4.48Å; Y150-F191 AromaticContact CD1-CE1 3.71Å; Y150-F191 HydrophobicContact CD1-CE1 3.71Å; Y150-F191 HydrophobicContact CD1-CE2 4.32Å; Y150-F191 HydrophobicContact CD1-CG 4.23Å; Y150-F191 AromaticContact CD1-CZ 3.93Å; Y150-F191 HydrophobicContact CD1-CZ 3.93Å; Y150-F191 HydrophobicContact CE1-CD1 4.17Å; Y150-F191 HydrophobicContact CE1-CE1 4.42Å; Y150-F191 HydrophobicContact CG-CD2 4.36Å; Y150-F191 HydrophobicContact CG-CE1 4.3Å; Y150-F191 HydrophobicContact CG-CE2 4.11Å; Y150-F191 HydrophobicContact CG-CZ 4.08Å; V152-F191 HydrophobicContact CG2-CZ 3.86Å; I158-F191 HydrophobicContact CD1-CE1 3.88Å; I158-F191 HydrophobicContact CG1-CE1 4.34Å; I158-F191 HydrophobicContact CG2-CE1 3.82Å; I158-F191 HydrophobicContact CG2-CZ 4.05Å; C182-F191 HydrophobicContact CB-CE2 3.61Å; C182-F191 HydrophobicContact CB-CZ 3.76Å; V184-F191 HydrophobicContact CG2-CB 4.48Å; V184-F191 HydrophobicContact CG2-CD2 3.53Å; V184-F191 HydrophobicContact CG2-CE2 4.26Å; V184-F191 HydrophobicContact CG2-CG 4.46Å; F191-C193 WeakPolarHBondContact CE1-SG 3.5Å; F191-C193 WeakPolarHBondContact CZ-SG 3.36Å; F191-V203 HydrophobicContact CD1-CB 3.91Å; F191-V203 HydrophobicContact CD1-CG1 4.34Å; F191-V203 HydrophobicContact CD1-CG2 3.67Å; F191-V203 HydrophobicContact CE1-CG2 4.1Å; F191-V203 PolarHBondContact O-N 3.09Å; F191-V203 VanDerWaalsContact O-N 3.16Å
192V88.2Confident80.1Confident1 Ų133 Ų331%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-119.5135.9178.6-178.70000109.3C182 D183 L200 L202 L220 F222 L228C182-V192 VanDerWaalsContact CA-O 3.28Å; C182-V192 WeakPolarHBondContact CA-O 3.32Å; D183-V192 PolarHBondContact N-O 3.08Å; D183-V192 VanDerWaalsContact N-O 3.16Å; D183-V192 PolarHBondContact O-N 3.47Å; V192-L200 HydrophobicContact CG1-CD2 3.97Å; V192-L202 HydrophobicContact CG2-CD2 3.38Å; V192-L202 HydrophobicContact CG2-CG 4.15Å; V192-L220 HydrophobicContact CB-CD1 4.34Å; V192-L220 HydrophobicContact CG1-CD1 3.72Å; V192-L220 HydrophobicContact CG1-CD2 4.4Å; V192-F222 HydrophobicContact CB-CE2 4.29Å; V192-F222 HydrophobicContact CB-CZ 4.3Å; V192-F222 HydrophobicContact CG2-CE1 4.49Å; V192-F222 HydrophobicContact CG2-CE2 3.86Å; V192-F222 HydrophobicContact CG2-CZ 3.41Å; V192-F222 VanDerWaalsContact CG2-CZ 3.41Å; V192-L228 HydrophobicContact CG1-CD2 4.26Å; V192-L228 HydrophobicContact CG2-CD2 4.48Å
193C88.6Confident78.4Confident0 Ų034.6 Ų34.60%018%0.184CC..EExtended strand (participates in β ladder)trans-117.1142.5169.8-70.40000111.3L179 S181 F191 L201L179-C193 HydrophobicContact CD2-CB 4.07Å; S181-C193 WeakPolarHBondContact O-CA 3.42Å; F191-C193 WeakPolarHBondContact CE1-SG 3.5Å; F191-C193 WeakPolarHBondContact CZ-SG 3.36Å; C193-L201 PolarHBondContact N-O 3.43Å; C193-L201 PolarHBondContact O-N 3.4Å; C193-L201 VanDerWaalsContact O-N 3.12Å
194G87.3Confident76.1Confident0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-97.6128.7169.600000110.7L179 L180 S181L179-G194 WeakPolarHBondContact CA-O 3.46Å; L180-G194 PolarHBondContact N-O 2.92Å; S181-G194 PolarHBondContact O-N 2.78Å
195T85.9Confident73.3Confident0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-98.1159.2173.758.70000111.4Q178 L179 T199 L201 I217Q178-T195 WeakPolarHBondContact O-CA 3.46Å; L179-T195 HydrophobicContact CD2-CG2 3.47Å; L179-T195 VanDerWaalsContact CD2-CG2 3.47Å; T195-T199 PolarHBondContact N-O 3.1Å; T195-T199 WeakPolarHBondContact OG1-CA 3.1Å; T195-T199 PolarHBondContact OG1-N 2.98Å; T195-T199 PolarHBondContact OG1-O 3.02Å; T195-T199 PolarHBondContact OG1-OG1 3.25Å; T195-L201 HydrophobicContact CG2-CD1 3.91Å; T195-L201 HydrophobicContact CG2-CG 4.45Å; T195-I217 PolarHBondContact O-N 3.46Å
196D84.1Confident70.6Confident49 Ų4952.9 Ų52.926%0.26227%0.267SS..THydrogen-bonded Turntrans-63.8-36.3168.7-65.624.7000110.4R138 Q178 L180 V198 G216R138-D196 IonicContact NH1-OD1 3.62Å; R138-D196 PolarHBondContact NH1-OD1 3.4Å; R138-D196 IonicContact NH1-OD2 2.9Å; Q178-D196 PolarHBondContact O-N 2.82Å; Q178-D196 PolarHBondContact OE1-OD2 3.44Å; L180-D196 HydrophobicContact CD1-CB 4.48Å; L180-D196 WeakPolarHBondContact CD1-OD1 3.49Å; L180-D196 WeakPolarHBondContact CG-OD1 3.41Å; D196-V198 PolarHBondContact O-N 3.4Å; D196-G216 VanDerWaalsContact O-CA 3.32Å; D196-G216 WeakPolarHBondContact O-CA 3.47Å
197E71.8Confident68.3Low115 Ų11553.3 Ų53.354%0.53726%0.259SS..THydrogen-bonded Turntrans-8232.5-178.7-64.6175.8-157.400113.1S177 T199S177-E197 VanDerWaalsContact CB-OE1 3.28Å; S177-E197 WeakPolarHBondContact CB-OE1 3.42Å; E197-T199 PolarHBondContact O-N 2.76Å
198V63.4Low66.6Low23 Ų2352.5 Ų52.514%0.13926%0.258CS..SBendtrans70.2-4.8163.6158.20000115D196 L211 T213 F215D196-V198 PolarHBondContact O-N 3.4Å; V198-L211 WeakPolarHBondContact CG1-O 3.48Å; V198-T213 WeakPolarHBondContact CG1-O 3.33Å; V198-T213 WeakPolarHBondContact CG1-OG1 3.37Å; V198-T213 WeakPolarHBondContact CG2-O 3.32Å; V198-F215 WeakPolarHBondContact CG2-O 3.41Å
199T60.6Low64.9Low22 Ų2249.8 Ų49.814%0.13525%0.247CC..EExtended strand (participates in β ladder)trans-85.9132.9178.461.60000111.6T195 E197T195-T199 PolarHBondContact N-O 3.1Å; T195-T199 WeakPolarHBondContact OG1-CA 3.1Å; T195-T199 PolarHBondContact OG1-N 2.98Å; T195-T199 PolarHBondContact OG1-O 3.02Å; T195-T199 PolarHBondContact OG1-OG1 3.25Å; E197-T199 PolarHBondContact O-N 2.76Å
200L58.5Low63.4Low14 Ų1453 Ų537%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-87.6128.8160-73.4179.4000108.3V192 L211 I217 L220 L228 V230V192-L200 HydrophobicContact CG1-CD2 3.97Å; L200-L211 HydrophobicContact CB-CD1 4.15Å; L200-L211 HydrophobicContact CD1-CD1 3.94Å; L200-L211 HydrophobicContact CD1-CD2 3.33Å; L200-L211 HydrophobicContact CD1-CG 4.3Å; L200-L211 HydrophobicContact CG-CD1 4.18Å; L200-L211 HydrophobicContact CG-CD2 3.8Å; L200-I217 HydrophobicContact CD2-CD1 3.43Å; L200-I217 VanDerWaalsContact CD2-CD1 3.43Å; L200-I217 HydrophobicContact CD2-CG2 4.37Å; L200-I217 HydrophobicContact CG-CD1 3.8Å; L200-L220 HydrophobicContact CD2-CD1 4.29Å; L200-L220 HydrophobicContact CD2-CD2 3.69Å; L200-L228 HydrophobicContact CD1-CD2 3.98Å; L200-V230 HydrophobicContact CD1-CG2 3.79Å; L200-V230 HydrophobicContact CD2-CG1 4.44Å; L200-V230 HydrophobicContact CD2-CG2 4.39Å
201L58.4Low61.9Low7 Ų752.2 Ų52.24%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-112.2109.5176.6-64.2177.4000108.6T174 C193 T195 N208T174-L201 VanDerWaalsContact CB-CD1 3.42Å; T174-L201 HydrophobicContact CG2-CD1 3.78Å; C193-L201 PolarHBondContact N-O 3.43Å; C193-L201 PolarHBondContact O-N 3.4Å; C193-L201 VanDerWaalsContact O-N 3.12Å; T195-L201 HydrophobicContact CG2-CD1 3.91Å; T195-L201 HydrophobicContact CG2-CG 4.45Å; L201-N208 HydrophobicContact CD2-CB 4.16Å; L201-N208 WeakPolarHBondContact CD2-OD1 3.36Å
202L58.7Low60.2Low47 Ų4756.1 Ų56.125%0.24631%0.306CS..EExtended strand (participates in β ladder)trans-80.7117.2165.3-79.5157.8000106.8V192 Y204 F205V192-L202 HydrophobicContact CG2-CD2 3.38Å; V192-L202 HydrophobicContact CG2-CG 4.15Å; L202-Y204 PolarHBondContact O-N 2.75Å; L202-F205 CarbonylContact O-C 3.42Å
203V55.2Low58.9Low35 Ų3557.3 Ų57.321%0.21231%0.314CS..THydrogen-bonded Turntrans-78.8-20.9-168.7162.20000113.4I158 L172 F191I158-V203 HydrophobicContact CD1-CG2 3.67Å; L172-V203 HydrophobicContact CD1-CG1 3.41Å; L172-V203 VanDerWaalsContact CD1-CG1 3.41Å; L172-V203 HydrophobicContact CG-CG1 4.43Å; F191-V203 HydrophobicContact CD1-CB 3.91Å; F191-V203 HydrophobicContact CD1-CG1 4.34Å; F191-V203 HydrophobicContact CD1-CG2 3.67Å; F191-V203 HydrophobicContact CE1-CG2 4.1Å; F191-V203 PolarHBondContact O-N 3.09Å; F191-V203 VanDerWaalsContact O-N 3.16Å
204Y46.1Very low57.9Low96 Ų9666.2 Ų66.238%0.37635%0.352SS..THydrogen-bonded Turntrans-90.1-18.1178.9-79.1-78.2000114.5K146 Y150 L202K146-Y204 PolarHBondContact NZ-OH 3.08Å; Y150-Y204 PolarHBondContact OH-OH 3.41Å; L202-Y204 PolarHBondContact O-N 2.75Å
205F30.6Very low57.5Low147 Ų14770.5 Ų70.565%0.64537%0.371SS*.THydrogen-bonded Turntrans-123.5111.6168.8-81-86.6000105.7L202 F207L202-F205 CarbonylContact O-C 3.42Å; F205-F207 PolarHBondContact O-N 3.49Å
206L32.1Very low57.4Low171 Ų17170.7 Ų70.790%0.89537%0.372SS*.THydrogen-bonded Turntrans-55.948173.5-99.4138000113.4N208L206-N208 PolarHBondContact O-N 3.21Å
207F36.5Very low57.7Low122 Ų12268.3 Ų68.354%0.53536%0.36SS..EExtended strand (participates in β ladder)trans-102.787.8-177.5-134.3-79000106.2F205 N209F205-F207 PolarHBondContact O-N 3.49Å; F207-N209 HydrophobicContact CD1-CB 4.43Å; F207-N209 WeakPolarHBondContact CD1-ND2 3.4Å; F207-N209 VanDerWaalsContact CD1-OD1 3.25Å; F207-N209 WeakPolarHBondContact CD1-OD1 3.3Å; F207-N209 WeakPolarHBondContact CE1-OD1 3.32Å; F207-N209 PolarHBondContact O-N 3.07Å
208N49Very low58.5Low88 Ų8864.1 Ų64.147%0.47134%0.343SS..EExtended strand (participates in β ladder)trans-7180.2168.2-68.60.8000107.8L201 L206 S210L201-N208 HydrophobicContact CD2-CB 4.16Å; L201-N208 WeakPolarHBondContact CD2-OD1 3.36Å; L206-N208 PolarHBondContact O-N 3.21Å; N208-S210 PolarHBondContact O-N 3.1Å
209N49.4Very low59.8Low51 Ų5163.5 Ų63.527%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-83.2109169-87.4-26.4000108.4F207 L211 T245F207-N209 HydrophobicContact CD1-CB 4.43Å; F207-N209 WeakPolarHBondContact CD1-ND2 3.4Å; F207-N209 VanDerWaalsContact CD1-OD1 3.25Å; F207-N209 WeakPolarHBondContact CD1-OD1 3.3Å; F207-N209 WeakPolarHBondContact CE1-OD1 3.32Å; F207-N209 PolarHBondContact O-N 3.07Å; N209-L211 VanDerWaalsContact C-N 3.28Å; N209-L211 HydrophobicContact CB-CD1 4.08Å; N209-L211 PolarHBondContact O-N 3.11Å; N209-T245 WeakPolarHBondContact ND2-CG2 3.48Å
210S52.2Low61.3Low94 Ų9463.1 Ų63.166%0.65734%0.337SS*.EExtended strand (participates in β ladder)trans-64.593.3160.857.40000108N208 G212N208-S210 PolarHBondContact O-N 3.1Å; S210-G212 PolarHBondContact O-N 3.19Å
211L55.8Low63Low13 Ų1366.4 Ų66.47%0.06835%0.351CS..  trans-64128.7165.1-91.566.7000106.6V198 L200 N209 T213 Y240V198-L211 WeakPolarHBondContact CG1-O 3.48Å; L200-L211 HydrophobicContact CB-CD1 4.15Å; L200-L211 HydrophobicContact CD1-CD1 3.94Å; L200-L211 HydrophobicContact CD1-CD2 3.33Å; L200-L211 HydrophobicContact CD1-CG 4.3Å; L200-L211 HydrophobicContact CG-CD1 4.18Å; L200-L211 HydrophobicContact CG-CD2 3.8Å; N209-L211 VanDerWaalsContact C-N 3.28Å; N209-L211 HydrophobicContact CB-CD1 4.08Å; N209-L211 PolarHBondContact O-N 3.11Å; L211-T213 PolarHBondContact O-N 3.4Å; L211-Y240 HydrophobicContact CD2-CD1 4.36Å; L211-Y240 HydrophobicContact CD2-CD2 4.01Å; L211-Y240 HydrophobicContact CD2-CE1 3.67Å; L211-Y240 HydrophobicContact CD2-CE2 3.25Å; L211-Y240 WeakPolarHBondContact CD2-OH 3.48Å; L211-Y240 HydrophobicContact CG-CE1 3.86Å; L211-Y240 HydrophobicContact CG-CE2 4.27Å; L211-Y240 WeakPolarHBondContact CG-OH 3.4Å
212G51.9Low64.6Low83 Ų8367 Ų6786%0.85635%0.353SS*.SBendtrans-71.235.8-17200000116.3S210S210-G212 PolarHBondContact O-N 3.19Å
213T59.9Low66Low27 Ų2766 Ų6617%0.16635%0.347CS..  trans-79.6157.217462.20000110.3V198 L211 F215 T232 L238V198-T213 WeakPolarHBondContact CG1-O 3.33Å; V198-T213 WeakPolarHBondContact CG1-OG1 3.37Å; V198-T213 WeakPolarHBondContact CG2-O 3.32Å; L211-T213 PolarHBondContact O-N 3.4Å; T213-F215 PolarHBondContact OG1-O 3.5Å; T213-T232 HydrophobicContact CG2-CG2 4.18Å; T213-L238 HydrophobicContact CG2-CD1 3.2Å
214K68.9Low67.6Low187 Ų18766.2 Ų66.281%0.81335%0.347SS*.SBendtrans-98.3-2.8175.4-67.4-178.9179.7178.50112.5
215F78.7Confident69.5Low90 Ų9062.1 Ų62.140%0.39533%0.332SS..SBendtrans-125.5145.6-166.1-58.4-70.8000110.3V198 T213 H236V198-F215 WeakPolarHBondContact CG2-O 3.41Å; T213-F215 PolarHBondContact OG1-O 3.5Å; F215-H236 AromaticContact CE2-NE2 3.92Å
216G84.4Confident72.3Confident3 Ų357.2 Ų57.23%0.03131%0.312CS..  trans-58.7157.4175.600000112.6D196 T232 E233D196-G216 VanDerWaalsContact O-CA 3.32Å; D196-G216 WeakPolarHBondContact O-CA 3.47Å; G216-T232 CarbonylContact O-C 3.59Å; G216-T232 VanDerWaalsContact O-CA 3.28Å; G216-T232 WeakPolarHBondContact O-CA 3.4Å; G216-E233 PolarHBondContact O-N 3.48Å
217I89.3Confident75.1Confident0 Ų051.4 Ų51.40%028%0.281CS..EExtended strand (participates in β ladder)trans-97.699.1-173.8-59.3175.3000109.7L180 S181 T195 L200 L220 V230 G231L180-I217 WeakPolarHBondContact CB-O 3.41Å; L180-I217 WeakPolarHBondContact CD1-O 3.05Å; S181-I217 PolarHBondContact OG-O 2.89Å; S181-I217 VanDerWaalsContact OG-O 3.05Å; T195-I217 PolarHBondContact O-N 3.46Å; L200-I217 HydrophobicContact CD2-CD1 3.43Å; L200-I217 VanDerWaalsContact CD2-CD1 3.43Å; L200-I217 HydrophobicContact CD2-CG2 4.37Å; L200-I217 HydrophobicContact CG-CD1 3.8Å; I217-L220 HydrophobicContact CG2-CD2 3.89Å; I217-L220 HydrophobicContact CG2-CG 4Å; I217-V230 HydrophobicContact CB-CG1 4.47Å; I217-V230 HydrophobicContact CD1-CG1 4.16Å; I217-V230 HydrophobicContact CG1-CG1 4.14Å; I217-V230 HydrophobicContact CG2-CG1 3.61Å; I217-G231 CarbonylContact C-O 3.52Å; I217-G231 WeakPolarHBondContact CA-O 2.99Å
218S89.9Confident77.7Confident27 Ų2746.1 Ų46.119%0.18926%0.258CS..EExtended strand (participates in β ladder)trans-79-29.9-173.657.70000113.9S181 G231 T232 I259S181-S218 WeakPolarHBondContact CB-O 3.27Å; S218-G231 PolarHBondContact N-O 3.33Å; S218-G231 PolarHBondContact OG-O 3.49Å; S218-T232 PolarHBondContact OG-O 3.02Å; S218-I259 VanDerWaalsContact CB-O 3.29Å; S218-I259 WeakPolarHBondContact CB-O 3.3Å; S218-I259 PolarHBondContact OG-O 3.26Å
219C90.9Very high79.8Confident9 Ų941.9 Ų41.96%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-147.6149.8178.871.20000112.8G231 I259C219-G231 PolarHBondContact N-O 3.01Å; C219-G231 PolarHBondContact O-N 2.96Å; C219-G231 WeakPolarHBondContact SG-CA 2.93Å; C219-I259 WeakPolarHBondContact SG-CG2 3.31Å
220L91.9Very high81.8Confident14 Ų1439.5 Ų39.57%0.07322%0.223CC..EExtended strand (participates in β ladder)trans-131.8138.9175.8-69.9169.2000109.8D183 V192 L200 I217 L228 A229 V230D183-L220 HydrophobicContact CB-CB 4.16Å; V192-L220 HydrophobicContact CB-CD1 4.34Å; V192-L220 HydrophobicContact CG1-CD1 3.72Å; V192-L220 HydrophobicContact CG1-CD2 4.4Å; L200-L220 HydrophobicContact CD2-CD1 4.29Å; L200-L220 HydrophobicContact CD2-CD2 3.69Å; I217-L220 HydrophobicContact CG2-CD2 3.89Å; I217-L220 HydrophobicContact CG2-CG 4Å; L220-L228 HydrophobicContact CD2-CD1 4.4Å; L220-A229 WeakPolarHBondContact CA-O 3.32Å; L220-V230 HydrophobicContact CD2-CB 4.22Å; L220-V230 HydrophobicContact CD2-CG1 4.12Å; L220-V230 HydrophobicContact CD2-CG2 3.83Å
221K92.5Very high83.7Confident84 Ų8435 Ų3537%0.36519%0.191SC..EExtended strand (participates in β ladder)trans-146.8129.8172.3-162.473.7-159.3146.40112D183 A229 V262 F264D183-K221 IonicContact OD1-NZ 2.82Å; D183-K221 PolarHBondContact OD1-NZ 2.82Å; D183-K221 VanDerWaalsContact OD2-CA 3.28Å; D183-K221 WeakPolarHBondContact OD2-CA 3.43Å; D183-K221 IonicContact OD2-NZ 2.65Å; D183-K221 PolarHBondContact OD2-NZ 2.65Å; K221-A229 PolarHBondContact N-O 3.16Å; K221-A229 PolarHBondContact O-N 2.77Å; K221-V262 HydrophobicContact CB-CB 4.4Å; K221-V262 WeakPolarHBondContact CG-O 3.45Å; K221-F264 HydrophobicContact CB-CE2 4.06Å; K221-F264 HydrophobicContact CG-CD2 4.18Å; K221-F264 HydrophobicContact CG-CE2 4.14Å; K221-F264 WeakPolarHBondContact O-CE2 3.24Å
222F91.9Very high85.4Confident18 Ų1834.4 Ų34.48%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-82.2136.4166.8-75.2-77.2000111.3D183 V192 L228 I242D183-F222 HydrophobicContact CB-CD2 4.08Å; D183-F222 HydrophobicContact CB-CE2 4.44Å; D183-F222 PolarHBondContact OD2-N 3.16Å; V192-F222 HydrophobicContact CB-CE2 4.29Å; V192-F222 HydrophobicContact CB-CZ 4.3Å; V192-F222 HydrophobicContact CG2-CE1 4.49Å; V192-F222 HydrophobicContact CG2-CE2 3.86Å; V192-F222 HydrophobicContact CG2-CZ 3.41Å; V192-F222 VanDerWaalsContact CG2-CZ 3.41Å; F222-L228 HydrophobicContact CD1-CB 4.31Å; F222-L228 HydrophobicContact CD1-CD1 3.89Å; F222-L228 HydrophobicContact CD2-CD1 4.17Å; F222-L228 HydrophobicContact CE1-CB 4.18Å; F222-L228 HydrophobicContact CE1-CD1 3.76Å; F222-L228 HydrophobicContact CE1-CG 4.44Å; F222-L228 HydrophobicContact CE2-CD1 4.07Å; F222-L228 HydrophobicContact CG-CD1 4.11Å; F222-L228 HydrophobicContact CZ-CD1 3.89Å; F222-I242 HydrophobicContact CD1-CD1 4.49Å; F222-I242 HydrophobicContact CE1-CD1 3.71Å; F222-I242 HydrophobicContact CE1-CG1 4.42Å
223K89.6Confident87.2Confident27 Ų2734.3 Ų34.312%0.11717%0.166CC..SBendtrans-88.7-57167.7177.9-171.4167.7-176.90110.1H227 F264 E269 E284K223-H227 HydrophobicContact CB-CB 4.05Å; K223-H227 HydrophobicContact CD-CB 4.31Å; K223-H227 PolarHBondContact N-O 3.46Å; K223-F264 HydrophobicContact CB-CB 4.17Å; K223-F264 HydrophobicContact CB-CD1 3.75Å; K223-F264 HydrophobicContact CB-CD2 3.61Å; K223-F264 HydrophobicContact CB-CE1 3.88Å; K223-F264 HydrophobicContact CB-CE2 3.74Å; K223-F264 HydrophobicContact CB-CG 3.59Å; K223-F264 HydrophobicContact CB-CZ 3.83Å; K223-F264 HydrophobicContact CD-CD1 3.84Å; K223-F264 HydrophobicContact CD-CE1 4.23Å; K223-F264 HydrophobicContact CD-CG 4.27Å; K223-F264 HydrophobicContact CG-CB 3.88Å; K223-F264 HydrophobicContact CG-CD1 3.86Å; K223-F264 HydrophobicContact CG-CD2 4.29Å; K223-F264 HydrophobicContact CG-CE1 4.39Å; K223-F264 HydrophobicContact CG-CG 3.77Å; K223-E269 IonicContact NZ-OE1 2.94Å; K223-E284 IonicContact NZ-OE1 3.32Å; K223-E284 IonicContact NZ-OE2 3.68Å; K223-E284 PolarHBondContact NZ-OE2 2.93Å
224D87.1Confident88.5Confident40 Ų4033.6 Ų33.621%0.21416%0.163CC..SBendtrans-137.4-177.6-178.9-53.7-42.9000108.5L226 H227 R266D224-L226 PolarHBondContact O-N 3.24Å; D224-H227 IonicContact OD2-ND1 3.88Å; D224-R266 IonicContact OD1-CZ 3.97Å; D224-R266 IonicContact OD1-NE 3.56Å; D224-R266 PolarHBondContact OD1-NE 2.83Å; D224-R266 IonicContact OD1-NH2 3.61Å; D224-R266 PolarHBondContact OD1-NH2 2.86Å
225A87.4Confident89.5Confident9 Ų924.7 Ų24.77%0.07412%0.124CC..SBendtrans-48.5-27.7173.500000115.8E187 H188 I242E187-A225 HydrophobicContact CB-CB 4.23Å; E187-A225 WeakPolarHBondContact OE2-CA 3.29Å; E187-A225 WeakPolarHBondContact OE2-CB 3.27Å; E187-A225 PolarHBondContact OE2-N 3.49Å; H188-A225 VanDerWaalsContact CD2-CB 3.47Å; H188-A225 WeakPolarHBondContact CD2-CB 3.42Å; H188-A225 WeakPolarHBondContact NE2-CB 3.42Å; A225-I242 WeakPolarHBondContact O-CD1 3.44Å
226L89Confident90.1Very high44 Ų4423.3 Ų23.323%0.2312%0.119CC..SBendtrans-110.8-31.1-169.5-59.7175.6000113.8D224 D241 I242 R243D224-L226 PolarHBondContact O-N 3.24Å; L226-D241 CarbonylContact O-C 3.56Å; L226-D241 WeakPolarHBondContact O-CA 3.3Å; L226-I242 WeakPolarHBondContact O-CG1 3.48Å; L226-I242 PolarHBondContact O-N 2.65Å; L226-R243 VanDerWaalsContact CD1-CZ 3.49Å; L226-R243 VanDerWaalsContact CD1-NH2 3.29Å
227H90.9Very high90.5Very high50 Ų5023.2 Ų23.223%0.23112%0.118CC..EExtended strand (participates in β ladder)trans-100.5123.2-169.9-56.6103.1000110.6K223 D224 Y240K223-H227 HydrophobicContact CB-CB 4.05Å; K223-H227 HydrophobicContact CD-CB 4.31Å; K223-H227 PolarHBondContact N-O 3.46Å; D224-H227 IonicContact OD2-ND1 3.88Å; H227-Y240 WeakPolarHBondContact CA-O 3.3Å
228L91.4Very high90.5Very high10 Ų1023.8 Ų23.85%0.05212%0.121CC..EExtended strand (participates in β ladder)trans-119.9125.5179.2177.670.4000109.9V192 L200 L220 F222 V230 Y240V192-L228 HydrophobicContact CG1-CD2 4.26Å; V192-L228 HydrophobicContact CG2-CD2 4.48Å; L200-L228 HydrophobicContact CD1-CD2 3.98Å; L220-L228 HydrophobicContact CD2-CD1 4.4Å; F222-L228 HydrophobicContact CD1-CB 4.31Å; F222-L228 HydrophobicContact CD1-CD1 3.89Å; F222-L228 HydrophobicContact CD2-CD1 4.17Å; F222-L228 HydrophobicContact CE1-CB 4.18Å; F222-L228 HydrophobicContact CE1-CD1 3.76Å; F222-L228 HydrophobicContact CE1-CG 4.44Å; F222-L228 HydrophobicContact CE2-CD1 4.07Å; F222-L228 HydrophobicContact CG-CD1 4.11Å; F222-L228 HydrophobicContact CZ-CD1 3.89Å; L228-V230 HydrophobicContact CD2-CG2 4.08Å; L228-V230 HydrophobicContact CG-CG2 4.15Å; L228-Y240 PolarHBondContact N-O 3.18Å; L228-Y240 PolarHBondContact O-N 3.25Å
229A92.5Very high90.6Very high0 Ų022.5 Ų22.50%011%0.112CC..EExtended strand (participates in β ladder)trans-90.7136.5164.900000111.2L220 K221 L239 V262 F264L220-A229 WeakPolarHBondContact CA-O 3.32Å; K221-A229 PolarHBondContact N-O 3.16Å; K221-A229 PolarHBondContact O-N 2.77Å; A229-L239 HydrophobicContact CB-CD2 3.67Å; A229-V262 HydrophobicContact CB-CB 4.13Å; A229-V262 HydrophobicContact CB-CG1 3.52Å; A229-F264 HydrophobicContact CB-CE1 4.32Å; A229-F264 HydrophobicContact CB-CE2 3.74Å; A229-F264 HydrophobicContact CB-CZ 3.31Å
230V91.5Very high90.6Very high1 Ų122.8 Ų22.81%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-123.9117.9176.7-175.50000107.6L200 I217 L220 L228 V237 L238 Y240L200-V230 HydrophobicContact CD1-CG2 3.79Å; L200-V230 HydrophobicContact CD2-CG1 4.44Å; L200-V230 HydrophobicContact CD2-CG2 4.39Å; I217-V230 HydrophobicContact CB-CG1 4.47Å; I217-V230 HydrophobicContact CD1-CG1 4.16Å; I217-V230 HydrophobicContact CG1-CG1 4.14Å; I217-V230 HydrophobicContact CG2-CG1 3.61Å; L220-V230 HydrophobicContact CD2-CB 4.22Å; L220-V230 HydrophobicContact CD2-CG1 4.12Å; L220-V230 HydrophobicContact CD2-CG2 3.83Å; L228-V230 HydrophobicContact CD2-CG2 4.08Å; L228-V230 HydrophobicContact CG-CG2 4.15Å; V230-V237 CarbonylContact O-C 3.58Å; V230-V237 WeakPolarHBondContact O-CA 3.47Å; V230-L238 HydrophobicContact CB-CB 4.34Å; V230-L238 PolarHBondContact N-O 3.1Å; V230-L238 PolarHBondContact O-N 3.45Å; V230-Y240 HydrophobicContact CB-CD2 4.38Å; V230-Y240 HydrophobicContact CB-CE2 4.4Å; V230-Y240 HydrophobicContact CG2-CD2 3.66Å; V230-Y240 HydrophobicContact CG2-CE2 4.03Å
231G92.3Very high90.5Very high0 Ų024 Ų240%012%0.119CC..EExtended strand (participates in β ladder)trans-99.5136170.200000110.4I217 S218 C219I217-G231 CarbonylContact C-O 3.52Å; I217-G231 WeakPolarHBondContact CA-O 2.99Å; S218-G231 PolarHBondContact N-O 3.33Å; S218-G231 PolarHBondContact OG-O 3.49Å; C219-G231 PolarHBondContact N-O 3.01Å; C219-G231 PolarHBondContact O-N 2.96Å; C219-G231 WeakPolarHBondContact SG-CA 2.93Å
232T91.1Very high90.1Very high0 Ų022.6 Ų22.60%011%0.114CC..EExtended strand (participates in β ladder)trans-101.8156.8178.160.40000111.4T213 G216 S218 G234 G235 H236 L238 I259T213-T232 HydrophobicContact CG2-CG2 4.18Å; G216-T232 CarbonylContact O-C 3.59Å; G216-T232 VanDerWaalsContact O-CA 3.28Å; G216-T232 WeakPolarHBondContact O-CA 3.4Å; S218-T232 PolarHBondContact OG-O 3.02Å; T232-G234 PolarHBondContact O-N 3.11Å; T232-G235 PolarHBondContact O-N 3.27Å; T232-H236 PolarHBondContact N-O 3.19Å; T232-H236 WeakPolarHBondContact OG1-CA 3.47Å; T232-H236 WeakPolarHBondContact OG1-CB 3.33Å; T232-H236 PolarHBondContact OG1-N 3.02Å; T232-H236 PolarHBondContact OG1-O 2.9Å; T232-L238 HydrophobicContact CG2-CD1 4.32Å; T232-I259 PolarHBondContact O-N 3.43Å
233E90.4Very high89.8Confident81 Ų8130.8 Ų30.838%0.37915%0.145SC..THydrogen-bonded Turntrans-62.9-24.5172.5-70.1-177.4161.200112.8L180 G216 G235 L257 P258L180-E233 WeakPolarHBondContact CD1-OE1 3.34Å; G216-E233 PolarHBondContact O-N 3.48Å; E233-G235 PolarHBondContact O-N 2.87Å; E233-L257 CarbonylContact O-C 3.56Å; E233-P258 HydrophobicContact CB-CB 4.44Å; E233-P258 VanDerWaalsContact O-CA 3.31Å; E233-P258 WeakPolarHBondContact O-CA 3.37Å
234G87.5Confident89.5Confident11 Ų1132 Ų3211%0.11316%0.156CC..THydrogen-bonded Turntrans-76.9-0.3176.500000114.9T232T232-G234 PolarHBondContact O-N 3.11Å
235G89.9Confident89.1Confident0 Ų034.2 Ų34.20%017%0.172CC..SBendtrans86.713.4179.600000114.8T232 E233 N253 L257T232-G235 PolarHBondContact O-N 3.27Å; E233-G235 PolarHBondContact O-N 2.87Å; G235-N253 WeakPolarHBondContact O-CB 3.28Å; G235-N253 PolarHBondContact O-N 2.81Å; G235-L257 WeakPolarHBondContact CA-O 3.49Å; G235-L257 PolarHBondContact N-O 3.1Å
236H91Very high88.8Confident62 Ų6243.2 Ų43.229%0.28720%0.204SC..EExtended strand (participates in β ladder)trans-100.2130.9175.8-48.7-43.2000111.6F215 T232 K251 D252 I259F215-H236 AromaticContact CE2-NE2 3.92Å; T232-H236 PolarHBondContact N-O 3.19Å; T232-H236 WeakPolarHBondContact OG1-CA 3.47Å; T232-H236 WeakPolarHBondContact OG1-CB 3.33Å; T232-H236 PolarHBondContact OG1-N 3.02Å; T232-H236 PolarHBondContact OG1-O 2.9Å; H236-K251 CarbonylContact C-O 3.55Å; H236-K251 WeakPolarHBondContact CA-O 3.49Å; H236-D252 VanDerWaalsContact CE1-CG 3.44Å; H236-D252 IonicContact CE1-OD1 3.44Å; H236-D252 PolarHBondContact CE1-OD1 3Å; H236-D252 IonicContact CE1-OD2 3.47Å; H236-D252 PolarHBondContact CE1-OD2 3.28Å; H236-D252 IonicContact ND1-OD1 3Å; H236-D252 PolarHBondContact ND1-OD1 2.74Å; H236-D252 IonicContact ND1-OD2 3.67Å; H236-I259 WeakPolarHBondContact O-CD1 3.08Å
237V92Very high88.7Confident0 Ų043.1 Ų43.10%021%0.206CC..EExtended strand (participates in β ladder)trans-100.4128.1172-171.20000108.1V230 L239 K251 I259 V262 S273 W282V230-V237 CarbonylContact O-C 3.58Å; V230-V237 WeakPolarHBondContact O-CA 3.47Å; V237-L239 HydrophobicContact CG1-CD2 4.36Å; V237-K251 PolarHBondContact N-O 3.22Å; V237-K251 PolarHBondContact O-N 2.76Å; V237-I259 HydrophobicContact CB-CD1 4.28Å; V237-I259 HydrophobicContact CG2-CD1 3.42Å; V237-I259 VanDerWaalsContact CG2-CD1 3.42Å; V237-I259 HydrophobicContact CG2-CG1 4.24Å; V237-V262 HydrophobicContact CG1-CG2 4.22Å; V237-S273 VanDerWaalsContact CG2-CB 3.48Å; V237-W282 HydrophobicContact CB-CZ2 4.31Å; V237-W282 HydrophobicContact CG1-CZ2 3.98Å
238L90.8Very high88.6Confident13 Ų1345.2 Ų45.27%0.06821%0.212CC..EExtended strand (participates in β ladder)trans-120.6128.8179.2-52.2171.6000108T213 V230 T232 Y240 P247 T250T213-L238 HydrophobicContact CG2-CD1 3.2Å; V230-L238 HydrophobicContact CB-CB 4.34Å; V230-L238 PolarHBondContact N-O 3.1Å; V230-L238 PolarHBondContact O-N 3.45Å; T232-L238 HydrophobicContact CG2-CD1 4.32Å; L238-Y240 HydrophobicContact CB-CD2 4.11Å; L238-Y240 HydrophobicContact CB-CE2 3.47Å; L238-Y240 VanDerWaalsContact CB-CE2 3.47Å; L238-Y240 HydrophobicContact CD1-CE2 4.07Å; L238-Y240 HydrophobicContact CG-CE2 4.42Å; L238-P247 HydrophobicContact CB-CB 4.33Å; L238-T250 HydrophobicContact CD2-CG2 3.36Å
239L91.6Very high88.5Confident0 Ų045.6 Ų45.60%022%0.215CC..EExtended strand (participates in β ladder)trans-102.9129.1173.1-54.6-177.2000109.5A229 V237 P247 Y248 V249 F264 V271 W282 E284A229-L239 HydrophobicContact CB-CD2 3.67Å; V237-L239 HydrophobicContact CG1-CD2 4.36Å; L239-P247 CarbonylContact O-C 3.48Å; L239-P247 WeakPolarHBondContact O-CA 3.24Å; L239-P247 WeakPolarHBondContact O-CB 3.47Å; L239-Y248 VanDerWaalsContact C-CE1 3.42Å; L239-Y248 HydrophobicContact CB-CD1 3.99Å; L239-Y248 HydrophobicContact CB-CE1 3.3Å; L239-Y248 HydrophobicContact CB-CE2 3.94Å; L239-Y248 WeakPolarHBondContact CB-OH 3.38Å; L239-Y248 HydrophobicContact CD1-CE2 3.91Å; L239-Y248 WeakPolarHBondContact CD1-OH 3.48Å; L239-Y248 WeakPolarHBondContact O-CD1 3.44Å; L239-Y248 WeakPolarHBondContact O-CE1 3.39Å; L239-Y248 PolarHBondContact O-N 3.09Å; L239-V249 HydrophobicContact CB-CB 4.39Å; L239-V249 HydrophobicContact CD1-CB 4.22Å; L239-V249 HydrophobicContact CD1-CG1 4.45Å; L239-V249 HydrophobicContact CG-CB 4.44Å; L239-V249 PolarHBondContact N-O 3.19Å; L239-F264 HydrophobicContact CD2-CE1 4.13Å; L239-F264 HydrophobicContact CD2-CZ 4.21Å; L239-V271 HydrophobicContact CD1-CG2 4.08Å; L239-W282 HydrophobicContact CD1-CH2 3.48Å; L239-W282 VanDerWaalsContact CD1-CH2 3.48Å; L239-W282 HydrophobicContact CD1-CZ3 3.84Å; L239-W282 HydrophobicContact CD2-CH2 4.26Å; L239-W282 HydrophobicContact CG-CH2 3.82Å; L239-E284 HydrophobicContact CD1-CG 3.72Å
240Y90Very high88.4Confident15 Ų1550 Ų506%0.05924%0.242CC..EExtended strand (participates in β ladder)trans-117.8142.6-179.6-75.3-88.6000110.2L211 H227 L228 V230 L238 P247L211-Y240 HydrophobicContact CD2-CD1 4.36Å; L211-Y240 HydrophobicContact CD2-CD2 4.01Å; L211-Y240 HydrophobicContact CD2-CE1 3.67Å; L211-Y240 HydrophobicContact CD2-CE2 3.25Å; L211-Y240 WeakPolarHBondContact CD2-OH 3.48Å; L211-Y240 HydrophobicContact CG-CE1 3.86Å; L211-Y240 HydrophobicContact CG-CE2 4.27Å; L211-Y240 WeakPolarHBondContact CG-OH 3.4Å; H227-Y240 WeakPolarHBondContact CA-O 3.3Å; L228-Y240 PolarHBondContact N-O 3.18Å; L228-Y240 PolarHBondContact O-N 3.25Å; V230-Y240 HydrophobicContact CB-CD2 4.38Å; V230-Y240 HydrophobicContact CB-CE2 4.4Å; V230-Y240 HydrophobicContact CG2-CD2 3.66Å; V230-Y240 HydrophobicContact CG2-CE2 4.03Å; L238-Y240 HydrophobicContact CB-CD2 4.11Å; L238-Y240 HydrophobicContact CB-CE2 3.47Å; L238-Y240 VanDerWaalsContact CB-CE2 3.47Å; L238-Y240 HydrophobicContact CD1-CE2 4.07Å; L238-Y240 HydrophobicContact CG-CE2 4.42Å; Y240-P247 HydrophobicContact CD1-CB 4.19Å; Y240-P247 HydrophobicContact CD2-CB 4.33Å; Y240-P247 HydrophobicContact CE1-CB 3.75Å; Y240-P247 VanDerWaalsContact CE1-CD 3.47Å; Y240-P247 HydrophobicContact CE1-CG 4.07Å; Y240-P247 VanDerWaalsContact CE1-N 3.26Å; Y240-P247 HydrophobicContact CE2-CB 3.91Å; Y240-P247 HydrophobicContact CG-CB 4.45Å
241D89.1Confident88.4Confident40 Ų4051 Ų5121%0.21425%0.246CC..EExtended strand (participates in β ladder)trans-91.5128.6154.6-179.9-15.5000106.2L226 R243 S244L226-D241 CarbonylContact O-C 3.56Å; L226-D241 WeakPolarHBondContact O-CA 3.3Å; D241-R243 PolarHBondContact O-N 3.06Å; D241-R243 WeakPolarHBondContact OD1-CB 3.4Å; D241-R243 WeakPolarHBondContact OD1-CG 3.36Å; D241-R243 PolarHBondContact OD1-N 2.97Å; D241-S244 CarbonylContact O-C 3.59Å; D241-S244 PolarHBondContact O-N 2.96Å
242I84.6Confident88.4Confident54 Ų5453.6 Ų53.628%0.27726%0.26SS..THydrogen-bonded Turntrans-54.7-25.5-179.7-62.8167.5000112L190 F222 A225 L226 S244L190-I242 HydrophobicContact CD1-CD1 4.29Å; F222-I242 HydrophobicContact CD1-CD1 4.49Å; F222-I242 HydrophobicContact CE1-CD1 3.71Å; F222-I242 HydrophobicContact CE1-CG1 4.42Å; A225-I242 WeakPolarHBondContact O-CD1 3.44Å; L226-I242 WeakPolarHBondContact O-CG1 3.48Å; L226-I242 PolarHBondContact O-N 2.65Å; I242-S244 VanDerWaalsContact C-N 3.31Å
243R85.9Confident88.3Confident189 Ų18953.6 Ų53.671%0.71326%0.26SS*.THydrogen-bonded Turntrans-73.5-21.8177.3-60.2168-179.8170.3-0.1113.4L226 D241L226-R243 VanDerWaalsContact CD1-CZ 3.49Å; L226-R243 VanDerWaalsContact CD1-NH2 3.29Å; D241-R243 PolarHBondContact O-N 3.06Å; D241-R243 WeakPolarHBondContact OD1-CB 3.4Å; D241-R243 WeakPolarHBondContact OD1-CG 3.36Å; D241-R243 PolarHBondContact OD1-N 2.97Å
244S83.2Confident88.3Confident52 Ų5256.4 Ų56.436%0.36428%0.275SS..  trans-113.5137.7-175.9174.20000111.2D241 I242 R246D241-S244 CarbonylContact O-C 3.59Å; D241-S244 PolarHBondContact O-N 2.96Å; I242-S244 VanDerWaalsContact C-N 3.31Å; S244-R246 VanDerWaalsContact C-N 3.28Å; S244-R246 PolarHBondContact OG-N 3.12Å; S244-R246 VanDerWaalsContact OG-N 3.12Å; S244-R246 PolarHBondContact OG-O 3.14Å
245T79.3Confident88.5Confident87 Ų8761 Ų6153%0.53429%0.289SS..SBendtrans-79.6-12.8173.257.60000113.2N209N209-T245 WeakPolarHBondContact ND2-CG2 3.48Å
246R81.4Confident88.4Confident198 Ų19863.4 Ų63.475%0.74731%0.314SS*.SBendtrans-101.4136.5179.5-64.6-178.2179.21740.2110.2S244S244-R246 VanDerWaalsContact C-N 3.28Å; S244-R246 PolarHBondContact OG-N 3.12Å; S244-R246 VanDerWaalsContact OG-N 3.12Å; S244-R246 PolarHBondContact OG-O 3.14Å
247P85.7Confident88.5Confident42 Ų4262.6 Ų62.627%0.27331%0.312SS..  trans-67.3138.4173.928-30.2000109.2L238 L239 Y240 T250L238-P247 HydrophobicContact CB-CB 4.33Å; L239-P247 CarbonylContact O-C 3.48Å; L239-P247 WeakPolarHBondContact O-CA 3.24Å; L239-P247 WeakPolarHBondContact O-CB 3.47Å; Y240-P247 HydrophobicContact CD1-CB 4.19Å; Y240-P247 HydrophobicContact CD2-CB 4.33Å; Y240-P247 HydrophobicContact CE1-CB 3.75Å; Y240-P247 VanDerWaalsContact CE1-CD 3.47Å; Y240-P247 HydrophobicContact CE1-CG 4.07Å; Y240-P247 VanDerWaalsContact CE1-N 3.26Å; Y240-P247 HydrophobicContact CE2-CB 3.91Å; Y240-P247 HydrophobicContact CG-CB 4.45Å; P247-T250 HydrophobicContact CB-CG2 3.96Å; P247-T250 HydrophobicContact CG-CG2 3.67Å
248Y88.4Confident88.5Confident95 Ų9565 Ų6537%0.37333%0.327SS..SBendtrans-81.3-31.417665.5-85.7000111.5L239 E284L239-Y248 VanDerWaalsContact C-CE1 3.42Å; L239-Y248 HydrophobicContact CB-CD1 3.99Å; L239-Y248 HydrophobicContact CB-CE1 3.3Å; L239-Y248 HydrophobicContact CB-CE2 3.94Å; L239-Y248 WeakPolarHBondContact CB-OH 3.38Å; L239-Y248 HydrophobicContact CD1-CE2 3.91Å; L239-Y248 WeakPolarHBondContact CD1-OH 3.48Å; L239-Y248 WeakPolarHBondContact O-CD1 3.44Å; L239-Y248 WeakPolarHBondContact O-CE1 3.39Å; L239-Y248 PolarHBondContact O-N 3.09Å; Y248-E284 HydrophobicContact CE2-CG 4.11Å; Y248-E284 PolarHBondContact OH-OE1 2.77Å
249V90.2Very high88.7Confident17 Ų1764.3 Ų64.310%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-134.3132.7176.2169.50000110L239 W282 E284 A287L239-V249 HydrophobicContact CB-CB 4.39Å; L239-V249 HydrophobicContact CD1-CB 4.22Å; L239-V249 HydrophobicContact CD1-CG1 4.45Å; L239-V249 HydrophobicContact CG-CB 4.44Å; L239-V249 PolarHBondContact N-O 3.19Å; V249-W282 HydrophobicContact CG1-CH2 4Å; V249-W282 HydrophobicContact CG1-CZ3 3.73Å; V249-E284 WeakPolarHBondContact CG2-O 3.41Å; V249-A287 HydrophobicContact CG1-CB 3.82Å
250T90.3Very high88.8Confident93 Ų9368 Ų6857%0.57134%0.339SS*.EExtended strand (participates in β ladder)trans-120.2126.5171.8640000108.3L238 P247L238-T250 HydrophobicContact CD2-CG2 3.36Å; P247-T250 HydrophobicContact CB-CG2 3.96Å; P247-T250 HydrophobicContact CG-CG2 3.67Å
251K91.5Very high89Confident23 Ų2367.8 Ų67.810%0.134%0.341CS..EExtended strand (participates in β ladder)trans-130.7131.8-179.4-171.2-177.2178.1-165.50110.7H236 V237 W282H236-K251 CarbonylContact C-O 3.55Å; H236-K251 WeakPolarHBondContact CA-O 3.49Å; V237-K251 PolarHBondContact N-O 3.22Å; V237-K251 PolarHBondContact O-N 2.76Å; K251-W282 HydrophobicContact CB-CH2 4.3Å; K251-W282 HydrophobicContact CB-CZ2 4.19Å; K251-W282 HydrophobicContact CD-CB 4.24Å; K251-W282 HydrophobicContact CD-CD2 3.37Å; K251-W282 HydrophobicContact CD-CE3 3.98Å; K251-W282 HydrophobicContact CD-CG 3.51Å; K251-W282 HydrophobicContact CD-CH2 4.47Å; K251-W282 HydrophobicContact CD-CZ2 3.97Å
252D91.7Very high89.2Confident54 Ų5466.4 Ų66.429%0.28933%0.334SS..EExtended strand (participates in β ladder)trans-99.2132.3175.4-169.78.1000111.6H236 M254H236-D252 VanDerWaalsContact CE1-CG 3.44Å; H236-D252 IonicContact CE1-OD1 3.44Å; H236-D252 PolarHBondContact CE1-OD1 3Å; H236-D252 IonicContact CE1-OD2 3.47Å; H236-D252 PolarHBondContact CE1-OD2 3.28Å; H236-D252 IonicContact ND1-OD1 3Å; H236-D252 PolarHBondContact ND1-OD1 2.74Å; H236-D252 IonicContact ND1-OD2 3.67Å; D252-M254 VanDerWaalsContact C-N 3.29Å; D252-M254 HydrophobicContact CB-CE 3.87Å; D252-M254 HydrophobicContact CB-SD 4.15Å; D252-M254 PolarHBondContact OD1-N 3.39Å
253N89.7Confident89.6Confident0 Ų064.1 Ų64.10%032%0.324CS..  trans-82.2-7.1172.1-74.4-13000113G235 Y255 S273 D275 I278 K280G235-N253 WeakPolarHBondContact O-CB 3.28Å; G235-N253 PolarHBondContact O-N 2.81Å; N253-Y255 PolarHBondContact O-N 3Å; N253-Y255 VanDerWaalsContact O-N 3.09Å; N253-S273 PolarHBondContact OD1-OG 2.79Å; N253-D275 WeakPolarHBondContact CB-OD2 3.36Å; N253-D275 PolarHBondContact ND2-OD1 2.88Å; N253-D275 PolarHBondContact ND2-OD2 3.08Å; N253-I278 HydrophobicContact CB-CD1 4.47Å; N253-K280 HydrophobicContact CB-CD 4.47Å; N253-K280 PolarHBondContact O-NZ 3.29Å
254M90.7Very high90Very high140 Ų14056.6 Ų56.669%0.6930%0.296SS*.SBendtrans73.7-22.6170.6-51.7-67.8168.800116.2D252 G256D252-M254 VanDerWaalsContact C-N 3.29Å; D252-M254 HydrophobicContact CB-CE 3.87Å; D252-M254 HydrophobicContact CB-SD 4.15Å; D252-M254 PolarHBondContact OD1-N 3.39Å; M254-G256 VanDerWaalsContact C-N 3.29Å; M254-G256 PolarHBondContact O-N 3.32Å
255Y91Very high90.3Very high107 Ų10755 Ų5542%0.4228%0.284SS..SBendtrans-77.9-12-179.1-73.6-71.7000114.1N253 L257 I278 E294N253-Y255 PolarHBondContact O-N 3Å; N253-Y255 VanDerWaalsContact O-N 3.09Å; Y255-L257 PolarHBondContact O-N 3.06Å; Y255-I278 HydrophobicContact CD2-CD1 3.55Å; Y255-I278 HydrophobicContact CD2-CG1 3.61Å; Y255-I278 HydrophobicContact CD2-CG2 4.27Å; Y255-I278 HydrophobicContact CE2-CB 4.19Å; Y255-I278 HydrophobicContact CE2-CD1 3.47Å; Y255-I278 VanDerWaalsContact CE2-CD1 3.47Å; Y255-I278 HydrophobicContact CE2-CG1 3.61Å; Y255-I278 HydrophobicContact CE2-CG2 3.53Å; Y255-E294 PolarHBondContact OH-OE1 3.06Å
256G88.6Confident90.4Very high50 Ų5057.1 Ų57.152%0.51528%0.282SS..  trans6327.2-175.600000113.3M254M254-G256 VanDerWaalsContact C-N 3.29Å; M254-G256 PolarHBondContact O-N 3.32Å
257L92.6Very high90.5Very high46 Ų4654.2 Ų54.224%0.24128%0.281CS..  trans-105151.5178.1-65.5170.3000109.1E233 G235 Y255 T276 K277E233-L257 CarbonylContact O-C 3.56Å; G235-L257 WeakPolarHBondContact CA-O 3.49Å; G235-L257 PolarHBondContact N-O 3.1Å; Y255-L257 PolarHBondContact O-N 3.06Å; L257-T276 VanDerWaalsContact CD1-OG1 3.3Å; L257-T276 WeakPolarHBondContact CD1-OG1 3.45Å; L257-K277 HydrophobicContact CD1-CB 4.44Å; L257-K277 HydrophobicContact CD1-CD 3.68Å; L257-K277 HydrophobicContact CD1-CG 3.82Å
258P93.1Very high90.4Very high49 Ų4954.3 Ų54.332%0.31828%0.282SS..  trans-65.8138.6-177.826.9-35.5000111.1E233 K260 T276E233-P258 HydrophobicContact CB-CB 4.44Å; E233-P258 VanDerWaalsContact O-CA 3.31Å; E233-P258 WeakPolarHBondContact O-CA 3.37Å; P258-K260 PolarHBondContact O-N 3.28Å; P258-T276 HydrophobicContact CG-CG2 4.25Å
259I94.6Very high90.4Very high0 Ų055.1 Ų55.10%029%0.289CS..EExtended strand (participates in β ladder)trans-76.6119.3174.1-62.2153000107.6S218 C219 T232 H236 V237 V262 M274 D275S218-I259 VanDerWaalsContact CB-O 3.29Å; S218-I259 WeakPolarHBondContact CB-O 3.3Å; S218-I259 PolarHBondContact OG-O 3.26Å; C219-I259 WeakPolarHBondContact SG-CG2 3.31Å; T232-I259 PolarHBondContact O-N 3.43Å; H236-I259 WeakPolarHBondContact O-CD1 3.08Å; V237-I259 HydrophobicContact CB-CD1 4.28Å; V237-I259 HydrophobicContact CG2-CD1 3.42Å; V237-I259 VanDerWaalsContact CG2-CD1 3.42Å; V237-I259 HydrophobicContact CG2-CG1 4.24Å; I259-V262 HydrophobicContact CG2-CG2 3.82Å; I259-M274 CarbonylContact C-O 3.59Å; I259-M274 WeakPolarHBondContact CA-O 3.3Å; I259-D275 VanDerWaalsContact CG1-OD1 3.32Å; I259-D275 WeakPolarHBondContact CG1-OD1 3.5Å
260K93.6Very high90.6Very high76 Ų7654.3 Ų54.333%0.3328%0.284SS..EExtended strand (participates in β ladder)trans-86.7-39.1-177.7-79.6179.8157.1-179.30112.2P258 M274 T276 L299 N300P258-K260 PolarHBondContact O-N 3.28Å; K260-M274 HydrophobicContact CB-CE 3.61Å; K260-M274 PolarHBondContact N-O 3.46Å; K260-T276 HydrophobicContact CD-CG2 3.96Å; K260-T276 HydrophobicContact CG-CG2 4.41Å; K260-L299 WeakPolarHBondContact CD-O 3.44Å; K260-L299 WeakPolarHBondContact CE-O 3.08Å; K260-L299 PolarHBondContact NZ-O 3.2Å; K260-N300 WeakPolarHBondContact CD-O 3.24Å; K260-N300 PolarHBondContact NZ-OD1 3.16Å
261A93.7Very high90.7Very high12 Ų1249.9 Ų49.910%0.09926%0.257CS..EExtended strand (participates in β ladder)trans-147.3145.7-179.400000111.5M274 L302A261-M274 HydrophobicContact CB-CB 4.47Å; A261-M274 HydrophobicContact CB-CE 3.62Å; A261-M274 PolarHBondContact N-O 3.04Å; A261-M274 PolarHBondContact O-N 3.1Å; A261-L302 HydrophobicContact CB-CB 3.75Å
262V94.4Very high90.9Very high10 Ų1048.8 Ų48.86%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-122.9139167.8177.90000108.1K221 A229 V237 I259 F264 V271 L272K221-V262 HydrophobicContact CB-CB 4.4Å; K221-V262 WeakPolarHBondContact CG-O 3.45Å; A229-V262 HydrophobicContact CB-CB 4.13Å; A229-V262 HydrophobicContact CB-CG1 3.52Å; V237-V262 HydrophobicContact CG1-CG2 4.22Å; I259-V262 HydrophobicContact CG2-CG2 3.82Å; V262-F264 HydrophobicContact CG1-CE2 4.39Å; V262-F264 HydrophobicContact CG1-CZ 4.47Å; V262-V271 HydrophobicContact CG1-CG1 3.74Å; V262-L272 VanDerWaalsContact CA-O 3.27Å; V262-L272 WeakPolarHBondContact CA-O 3.04Å
263G92.8Very high91Very high6 Ų646.2 Ų46.26%0.06224%0.239CC..EExtended strand (participates in β ladder)trans-136.2155.8175.800000111.3L272G263-L272 PolarHBondContact N-O 3.24Å; G263-L272 PolarHBondContact O-N 3.45Å
264F92.5Very high91.3Very high31 Ų3146.2 Ų46.214%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-120.8136.6-177.9-63.9-85.6000109.9K221 K223 A229 L239 V262 V271K221-F264 HydrophobicContact CB-CE2 4.06Å; K221-F264 HydrophobicContact CG-CD2 4.18Å; K221-F264 HydrophobicContact CG-CE2 4.14Å; K221-F264 WeakPolarHBondContact O-CE2 3.24Å; K223-F264 HydrophobicContact CB-CB 4.17Å; K223-F264 HydrophobicContact CB-CD1 3.75Å; K223-F264 HydrophobicContact CB-CD2 3.61Å; K223-F264 HydrophobicContact CB-CE1 3.88Å; K223-F264 HydrophobicContact CB-CE2 3.74Å; K223-F264 HydrophobicContact CB-CG 3.59Å; K223-F264 HydrophobicContact CB-CZ 3.83Å; K223-F264 HydrophobicContact CD-CD1 3.84Å; K223-F264 HydrophobicContact CD-CE1 4.23Å; K223-F264 HydrophobicContact CD-CG 4.27Å; K223-F264 HydrophobicContact CG-CB 3.88Å; K223-F264 HydrophobicContact CG-CD1 3.86Å; K223-F264 HydrophobicContact CG-CD2 4.29Å; K223-F264 HydrophobicContact CG-CE1 4.39Å; K223-F264 HydrophobicContact CG-CG 3.77Å; A229-F264 HydrophobicContact CB-CE1 4.32Å; A229-F264 HydrophobicContact CB-CE2 3.74Å; A229-F264 HydrophobicContact CB-CZ 3.31Å; L239-F264 HydrophobicContact CD2-CE1 4.13Å; L239-F264 HydrophobicContact CD2-CZ 4.21Å; V262-F264 HydrophobicContact CG1-CE2 4.39Å; V262-F264 HydrophobicContact CG1-CZ 4.47Å; F264-V271 HydrophobicContact CD1-CB 4.49Å; F264-V271 HydrophobicContact CD1-CG1 4.32Å; F264-V271 HydrophobicContact CD1-CG2 3.78Å; F264-V271 HydrophobicContact CE1-CG1 4.16Å; F264-V271 HydrophobicContact CE1-CG2 3.8Å
265I89.5Confident91.5Very high20 Ų2039.6 Ų39.610%0.10321%0.206CC..EExtended strand (participates in β ladder)trans-114.4130.6166.6-63.8173.1000106.3P268 V270 L272 L304 L328I265-P268 CarbonylContact C-O 3.07Å; I265-V270 PolarHBondContact N-O 3.32Å; I265-V270 PolarHBondContact O-N 3.26Å; I265-V270 VanDerWaalsContact O-N 3.08Å; I265-L272 HydrophobicContact CD1-CD1 3.58Å; I265-L272 HydrophobicContact CD1-CD2 4.47Å; I265-L272 HydrophobicContact CG1-CD1 3.63Å; I265-L304 HydrophobicContact CG1-CD1 4.44Å; I265-L328 HydrophobicContact CD1-CB 4.37Å; I265-L328 HydrophobicContact CD1-CD1 3.87Å; I265-L328 HydrophobicContact CD1-CD2 4.48Å; I265-L328 HydrophobicContact CD1-CG 4.48Å
266R83.4Confident91.6Very high131 Ų13135.6 Ų35.649%0.49419%0.193SC..THydrogen-bonded Turntrans-79.8-41.6-177.4-68.8180172.2172.1-3.3111.4D224 P268 E269D224-R266 IonicContact OD1-CZ 3.97Å; D224-R266 IonicContact OD1-NE 3.56Å; D224-R266 PolarHBondContact OD1-NE 2.83Å; D224-R266 IonicContact OD1-NH2 3.61Å; D224-R266 PolarHBondContact OD1-NH2 2.86Å; R266-P268 CarbonylContact O-C 3.52Å; R266-E269 WeakPolarHBondContact O-CA 3.19Å; R266-E269 VanDerWaalsContact O-CG 3.31Å; R266-E269 WeakPolarHBondContact O-CG 3.45Å; R266-E269 PolarHBondContact O-N 3.3Å
267D82.4Confident91.8Very high136 Ų13638.4 Ų38.473%0.72719%0.191SC*.THydrogen-bonded Turntrans-125.6102-176.3-60.8-38000110.1
268P83.9Confident91.9Very high45 Ų4536.4 Ų36.429%0.29218%0.18SC..THydrogen-bonded Turncis-72.2156.5-6.731-35.1000113.1I265 R266 V270 L328I265-P268 CarbonylContact C-O 3.07Å; R266-P268 CarbonylContact O-C 3.52Å; P268-V270 HydrophobicContact CB-CG2 4.05Å; P268-V270 HydrophobicContact CG-CG2 3.8Å; P268-V270 WeakPolarHBondContact O-CB 3.34Å; P268-V270 PolarHBondContact O-N 3.05Å; P268-L328 WeakPolarHBondContact CD-O 3.45Å; P268-L328 HydrophobicContact CG-CD2 3.99Å
269E89Confident92Very high112 Ų11234 Ų3452%0.52317%0.165SC..THydrogen-bonded Turntrans-65.389.6179-68.1-170.9148.100112.1K223 R266 E284K223-E269 IonicContact NZ-OE1 2.94Å; R266-E269 WeakPolarHBondContact O-CA 3.19Å; R266-E269 VanDerWaalsContact O-CG 3.31Å; R266-E269 WeakPolarHBondContact O-CG 3.45Å; R266-E269 PolarHBondContact O-N 3.3Å; E269-E284 PolarHBondContact O-N 2.96Å
270V92.8Very high91.9Very high0 Ų036 Ų360%017%0.173CC..EExtended strand (participates in β ladder)trans-137.6135-168.3171.40000109.5I265 P268 I281 W282 L328I265-V270 PolarHBondContact N-O 3.32Å; I265-V270 PolarHBondContact O-N 3.26Å; I265-V270 VanDerWaalsContact O-N 3.08Å; P268-V270 HydrophobicContact CB-CG2 4.05Å; P268-V270 HydrophobicContact CG-CG2 3.8Å; P268-V270 WeakPolarHBondContact O-CB 3.34Å; P268-V270 PolarHBondContact O-N 3.05Å; V270-I281 HydrophobicContact CG1-CB 4.37Å; V270-I281 HydrophobicContact CG1-CG2 3.07Å; V270-W282 CarbonylContact C-O 3.48Å; V270-W282 WeakPolarHBondContact CA-O 3.25Å; V270-W282 WeakPolarHBondContact CG1-O 3.22Å; V270-L328 HydrophobicContact CG1-CD2 4.35Å; V270-L328 HydrophobicContact CG2-CD2 4.47Å
271V94.3Very high92Very high0 Ų032.4 Ų32.40%016%0.158CC..EExtended strand (participates in β ladder)trans-103.3134.3176.5-173.20000109.1L239 V262 F264 I281 W282 E284L239-V271 HydrophobicContact CD1-CG2 4.08Å; V262-V271 HydrophobicContact CG1-CG1 3.74Å; F264-V271 HydrophobicContact CD1-CB 4.49Å; F264-V271 HydrophobicContact CD1-CG1 4.32Å; F264-V271 HydrophobicContact CD1-CG2 3.78Å; F264-V271 HydrophobicContact CE1-CG1 4.16Å; F264-V271 HydrophobicContact CE1-CG2 3.8Å; V271-I281 WeakPolarHBondContact O-CA 3.36Å; V271-W282 HydrophobicContact CB-CD2 3.97Å; V271-W282 HydrophobicContact CB-CE3 4.25Å; V271-W282 HydrophobicContact CB-CH2 4.01Å; V271-W282 HydrophobicContact CB-CZ2 3.66Å; V271-W282 HydrophobicContact CB-CZ3 4.25Å; V271-W282 HydrophobicContact CG1-CH2 4.15Å; V271-W282 HydrophobicContact CG1-CZ2 3.54Å; V271-W282 HydrophobicContact CG2-CE3 4.5Å; V271-W282 HydrophobicContact CG2-CH2 4.12Å; V271-W282 HydrophobicContact CG2-CZ2 4.27Å; V271-W282 HydrophobicContact CG2-CZ3 4.19Å; V271-W282 PolarHBondContact N-O 3.29Å; V271-W282 PolarHBondContact O-N 3.43Å; V271-W282 PolarHBondContact O-NE1 3.31Å; V271-E284 HydrophobicContact CG2-CB 3.97Å; V271-E284 HydrophobicContact CG2-CG 4.07Å
272L94.6Very high92Very high0 Ų031.8 Ų31.80%015%0.153CC..EExtended strand (participates in β ladder)trans-103.5120.4173-59.395.8000108.2V262 G263 I265 L279 K280 I281 L302 L304 L311V262-L272 VanDerWaalsContact CA-O 3.27Å; V262-L272 WeakPolarHBondContact CA-O 3.04Å; G263-L272 PolarHBondContact N-O 3.24Å; G263-L272 PolarHBondContact O-N 3.45Å; I265-L272 HydrophobicContact CD1-CD1 3.58Å; I265-L272 HydrophobicContact CD1-CD2 4.47Å; I265-L272 HydrophobicContact CG1-CD1 3.63Å; L272-L279 HydrophobicContact CD2-CD1 4.5Å; L272-L279 HydrophobicContact CD2-CD2 4.21Å; L272-K280 CarbonylContact C-O 3.48Å; L272-K280 WeakPolarHBondContact CA-O 3.26Å; L272-I281 HydrophobicContact CD2-CD1 3.72Å; L272-I281 HydrophobicContact CD2-CG1 3.91Å; L272-I281 HydrophobicContact CG-CD1 4.39Å; L272-I281 HydrophobicContact CG-CG1 4.14Å; L272-L302 HydrophobicContact CB-CD2 4.06Å; L272-L304 HydrophobicContact CD1-CD1 3.88Å; L272-L304 HydrophobicContact CD1-CD2 4.16Å; L272-L304 HydrophobicContact CD2-CD2 3.92Å; L272-L311 HydrophobicContact CD2-CD1 4.1Å; L272-L311 HydrophobicContact CD2-CD2 3.8Å
273S94.6Very high92Very high0 Ų034.3 Ų34.30%016%0.164CC..EExtended strand (participates in β ladder)trans-112.2121.6173.155.40000110V237 N253 L279 K280 W282V237-S273 VanDerWaalsContact CG2-CB 3.48Å; N253-S273 PolarHBondContact OD1-OG 2.79Å; S273-L279 WeakPolarHBondContact O-CA 3.42Å; S273-K280 PolarHBondContact N-O 3.46Å; S273-K280 PolarHBondContact O-N 3.39Å; S273-K280 PolarHBondContact OG-O 3.16Å; S273-W282 PolarHBondContact OG-NE1 2.9Å
274M95.2Very high91.9Very high0 Ų034.5 Ų34.50%016%0.163CC..EExtended strand (participates in β ladder)trans-112.3119.9-179.2-176.2-173.973.500111I259 K260 A261 L279 L299 D301 L302I259-M274 CarbonylContact C-O 3.59Å; I259-M274 WeakPolarHBondContact CA-O 3.3Å; K260-M274 HydrophobicContact CB-CE 3.61Å; K260-M274 PolarHBondContact N-O 3.46Å; A261-M274 HydrophobicContact CB-CB 4.47Å; A261-M274 HydrophobicContact CB-CE 3.62Å; A261-M274 PolarHBondContact N-O 3.04Å; A261-M274 PolarHBondContact O-N 3.1Å; M274-L279 HydrophobicContact CB-CD1 4.44Å; M274-L299 HydrophobicContact CG-CB 4.2Å; M274-L299 HydrophobicContact CG-CD1 3.84Å; M274-L299 HydrophobicContact SD-CB 3.83Å; M274-L299 HydrophobicContact SD-CD1 4.03Å; M274-D301 VanDerWaalsContact CE-C 3.5Å; M274-L302 HydrophobicContact CB-CD2 4.4Å; M274-L302 HydrophobicContact CE-CB 4.01Å; M274-L302 HydrophobicContact SD-CB 3.73Å
275D94.4Very high91.7Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-93177164.8-67-12.3000110.1N253 I259 K277 I278N253-D275 WeakPolarHBondContact CB-OD2 3.36Å; N253-D275 PolarHBondContact ND2-OD1 2.88Å; N253-D275 PolarHBondContact ND2-OD2 3.08Å; I259-D275 VanDerWaalsContact CG1-OD1 3.32Å; I259-D275 WeakPolarHBondContact CG1-OD1 3.5Å; D275-K277 PolarHBondContact O-N 2.88Å; D275-K277 VanDerWaalsContact O-N 3.07Å; D275-I278 HydrophobicContact CB-CG1 4.16Å; D275-I278 PolarHBondContact N-O 3.16Å
276T93.8Very high91.5Very high23 Ų2339.9 Ų39.914%0.14121%0.208CC..SBendtrans-57-21.1170.963.50000114.7L257 P258 K260 R298 L299L257-T276 VanDerWaalsContact CD1-OG1 3.3Å; L257-T276 WeakPolarHBondContact CD1-OG1 3.45Å; P258-T276 HydrophobicContact CG-CG2 4.25Å; K260-T276 HydrophobicContact CD-CG2 3.96Å; K260-T276 HydrophobicContact CG-CG2 4.41Å; T276-R298 CarbonylContact O-C 3.21Å; T276-R298 WeakPolarHBondContact O-CA 3.35Å; T276-L299 PolarHBondContact O-N 3.13Å
277K93.3Very high91.7Very high110 Ų11035.1 Ų35.148%0.47820%0.197SC..SBendtrans-115.1-35.9-176.9-71.5-176-178.3176.40114.5L257 D275 P295L257-K277 HydrophobicContact CD1-CB 4.44Å; L257-K277 HydrophobicContact CD1-CD 3.68Å; L257-K277 HydrophobicContact CD1-CG 3.82Å; D275-K277 PolarHBondContact O-N 2.88Å; D275-K277 VanDerWaalsContact O-N 3.07Å; K277-P295 WeakPolarHBondContact O-CD 3.43Å
278I94.1Very high92.1Very high3 Ų335.4 Ų35.42%0.01519%0.192CC..  trans-133.7149.1-166.857.9144.2000110.7N253 Y255 D275 K280 E294N253-I278 HydrophobicContact CB-CD1 4.47Å; Y255-I278 HydrophobicContact CD2-CD1 3.55Å; Y255-I278 HydrophobicContact CD2-CG1 3.61Å; Y255-I278 HydrophobicContact CD2-CG2 4.27Å; Y255-I278 HydrophobicContact CE2-CB 4.19Å; Y255-I278 HydrophobicContact CE2-CD1 3.47Å; Y255-I278 VanDerWaalsContact CE2-CD1 3.47Å; Y255-I278 HydrophobicContact CE2-CG1 3.61Å; Y255-I278 HydrophobicContact CE2-CG2 3.53Å; D275-I278 HydrophobicContact CB-CG1 4.16Å; D275-I278 PolarHBondContact N-O 3.16Å; I278-K280 HydrophobicContact CD1-CD 3.52Å; I278-K280 HydrophobicContact CD1-CG 3.78Å; I278-E294 HydrophobicContact CB-CG 4.44Å; I278-E294 HydrophobicContact CG2-CB 4.27Å; I278-E294 HydrophobicContact CG2-CG 3.67Å
279L94.5Very high92.5Very high0 Ų037.3 Ų37.30%020%0.204CC..EExtended strand (participates in β ladder)trans-114119166.9176.4149.1000108L272 S273 M274 I281 S292 I293 L299 L302 M313L272-L279 HydrophobicContact CD2-CD1 4.5Å; L272-L279 HydrophobicContact CD2-CD2 4.21Å; S273-L279 WeakPolarHBondContact O-CA 3.42Å; M274-L279 HydrophobicContact CB-CD1 4.44Å; L279-I281 HydrophobicContact CD2-CD1 3.78Å; L279-I281 HydrophobicContact CD2-CG1 3.5Å; L279-I281 VanDerWaalsContact CD2-CG1 3.5Å; L279-S292 CarbonylContact O-C 3.51Å; L279-S292 WeakPolarHBondContact O-CA 3.47Å; L279-I293 HydrophobicContact CB-CB 4.35Å; L279-I293 HydrophobicContact CD2-CB 4.19Å; L279-I293 HydrophobicContact CD2-CD1 3.91Å; L279-I293 HydrophobicContact CD2-CG1 4.18Å; L279-I293 PolarHBondContact N-O 2.77Å; L279-I293 PolarHBondContact O-N 3.4Å; L279-L299 HydrophobicContact CB-CD1 4.45Å; L279-L302 HydrophobicContact CD1-CD1 3.47Å; L279-L302 VanDerWaalsContact CD1-CD1 3.47Å; L279-L302 HydrophobicContact CD1-CD2 3.77Å; L279-L302 HydrophobicContact CD1-CG 4.22Å; L279-M313 HydrophobicContact CB-SD 4.14Å; L279-M313 HydrophobicContact CD1-CG 4.45Å; L279-M313 HydrophobicContact CD1-SD 3.66Å
280K94Very high92.6Very high41 Ų4134 Ų3418%0.17819%0.187CC..EExtended strand (participates in β ladder)trans-105.8133.5177.4-86.8170175.7175.70109.5N253 L272 S273 I278N253-K280 HydrophobicContact CB-CD 4.47Å; N253-K280 PolarHBondContact O-NZ 3.29Å; L272-K280 CarbonylContact C-O 3.48Å; L272-K280 WeakPolarHBondContact CA-O 3.26Å; S273-K280 PolarHBondContact N-O 3.46Å; S273-K280 PolarHBondContact O-N 3.39Å; S273-K280 PolarHBondContact OG-O 3.16Å; I278-K280 HydrophobicContact CD1-CD 3.52Å; I278-K280 HydrophobicContact CD1-CG 3.78Å
281I94.6Very high92.5Very high0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans-113.4130.8178.2-55.2-166.9000107V270 V271 L272 L279 Y290 T291 I293 L311 I325 L328V270-I281 HydrophobicContact CG1-CB 4.37Å; V270-I281 HydrophobicContact CG1-CG2 3.07Å; V271-I281 WeakPolarHBondContact O-CA 3.36Å; L272-I281 HydrophobicContact CD2-CD1 3.72Å; L272-I281 HydrophobicContact CD2-CG1 3.91Å; L272-I281 HydrophobicContact CG-CD1 4.39Å; L272-I281 HydrophobicContact CG-CG1 4.14Å; L279-I281 HydrophobicContact CD2-CD1 3.78Å; L279-I281 HydrophobicContact CD2-CG1 3.5Å; L279-I281 VanDerWaalsContact CD2-CG1 3.5Å; I281-Y290 HydrophobicContact CG2-CD1 3.94Å; I281-Y290 HydrophobicContact CG2-CG 4.48Å; I281-Y290 WeakPolarHBondContact O-CA 3.38Å; I281-Y290 WeakPolarHBondContact O-CB 3.36Å; I281-Y290 PolarHBondContact O-N 2.82Å; I281-T291 WeakPolarHBondContact CB-OG1 3.45Å; I281-T291 WeakPolarHBondContact CD1-OG1 3.3Å; I281-T291 PolarHBondContact N-O 3.49Å; I281-T291 PolarHBondContact O-N 3.14Å; I281-T291 VanDerWaalsContact O-N 3.13Å; I281-T291 VanDerWaalsContact O-O 3.1Å; I281-I293 HydrophobicContact CD1-CD1 4.49Å; I281-L311 HydrophobicContact CD1-CD1 4.33Å; I281-I325 HydrophobicContact CD1-CD1 3.51Å; I281-L328 HydrophobicContact CD1-CD1 3.9Å; I281-L328 HydrophobicContact CG2-CD1 4.45Å; I281-L328 HydrophobicContact CG2-CD2 4.37Å
282W94.7Very high92.5Very high0 Ų035.7 Ų35.70%020%0.199CC..EExtended strand (participates in β ladder)trans-155.4151.9-172.551.6-77.5000113V237 L239 V249 K251 V270 V271 S273 K288V237-W282 HydrophobicContact CB-CZ2 4.31Å; V237-W282 HydrophobicContact CG1-CZ2 3.98Å; L239-W282 HydrophobicContact CD1-CH2 3.48Å; L239-W282 VanDerWaalsContact CD1-CH2 3.48Å; L239-W282 HydrophobicContact CD1-CZ3 3.84Å; L239-W282 HydrophobicContact CD2-CH2 4.26Å; L239-W282 HydrophobicContact CG-CH2 3.82Å; V249-W282 HydrophobicContact CG1-CH2 4Å; V249-W282 HydrophobicContact CG1-CZ3 3.73Å; K251-W282 HydrophobicContact CB-CH2 4.3Å; K251-W282 HydrophobicContact CB-CZ2 4.19Å; K251-W282 HydrophobicContact CD-CB 4.24Å; K251-W282 HydrophobicContact CD-CD2 3.37Å; K251-W282 HydrophobicContact CD-CE3 3.98Å; K251-W282 HydrophobicContact CD-CG 3.51Å; K251-W282 HydrophobicContact CD-CH2 4.47Å; K251-W282 HydrophobicContact CD-CZ2 3.97Å; V270-W282 CarbonylContact C-O 3.48Å; V270-W282 WeakPolarHBondContact CA-O 3.25Å; V270-W282 WeakPolarHBondContact CG1-O 3.22Å; V271-W282 HydrophobicContact CB-CD2 3.97Å; V271-W282 HydrophobicContact CB-CE3 4.25Å; V271-W282 HydrophobicContact CB-CH2 4.01Å; V271-W282 HydrophobicContact CB-CZ2 3.66Å; V271-W282 HydrophobicContact CB-CZ3 4.25Å; V271-W282 HydrophobicContact CG1-CH2 4.15Å; V271-W282 HydrophobicContact CG1-CZ2 3.54Å; V271-W282 HydrophobicContact CG2-CE3 4.5Å; V271-W282 HydrophobicContact CG2-CH2 4.12Å; V271-W282 HydrophobicContact CG2-CZ2 4.27Å; V271-W282 HydrophobicContact CG2-CZ3 4.19Å; V271-W282 PolarHBondContact N-O 3.29Å; V271-W282 PolarHBondContact O-N 3.43Å; V271-W282 PolarHBondContact O-NE1 3.31Å; S273-W282 PolarHBondContact OG-NE1 2.9Å; W282-K288 WeakPolarHBondContact CA-O 3.36Å; W282-K288 VanDerWaalsContact CB-O 3.3Å; W282-K288 WeakPolarHBondContact CB-O 3.28Å
283H93.1Very high92.4Very high62 Ų6235.9 Ų35.929%0.28720%0.2SC..EExtended strand (participates in β ladder)trans-73.2130.3-179.2-71.4-64.5000111.6A285 T286 A287 K288 Y290H283-A285 PolarHBondContact O-N 3.2Å; H283-T286 WeakPolarHBondContact CB-OG1 3.48Å; H283-T286 PolarHBondContact O-N 3.47Å; H283-A287 WeakPolarHBondContact O-CA 3.48Å; H283-A287 PolarHBondContact O-N 3.19Å; H283-K288 PolarHBondContact N-O 3.1Å; H283-K288 VanDerWaalsContact N-O 3.11Å; H283-Y290 AromaticContact CE1-CD2 3.77Å; H283-Y290 AromaticContact NE2-CD2 3.29Å; H283-Y290 VanDerWaalsContact NE2-CD2 3.29Å; H283-Y290 WeakPolarHBondContact NE2-CD2 3.45Å; H283-Y290 AromaticContact NE2-CE2 3.96Å
284E90.8Very high92.2Very high11 Ų1141.1 Ų41.15%0.05122%0.224CC..THydrogen-bonded Turntrans-58.3-51-176.8-171.3177.2158.100112.2K223 L239 Y248 V249 E269 V271 T286K223-E284 IonicContact NZ-OE1 3.32Å; K223-E284 IonicContact NZ-OE2 3.68Å; K223-E284 PolarHBondContact NZ-OE2 2.93Å; L239-E284 HydrophobicContact CD1-CG 3.72Å; Y248-E284 HydrophobicContact CE2-CG 4.11Å; Y248-E284 PolarHBondContact OH-OE1 2.77Å; V249-E284 WeakPolarHBondContact CG2-O 3.41Å; E269-E284 PolarHBondContact O-N 2.96Å; V271-E284 HydrophobicContact CG2-CB 3.97Å; V271-E284 HydrophobicContact CG2-CG 4.07Å; E284-T286 PolarHBondContact O-N 2.84Å
285A87.8Confident91.9Very high83 Ų8341.7 Ų41.769%0.68623%0.228SC*.THydrogen-bonded Turntrans-70.7-30.5-174.100000114.5H283H283-A285 PolarHBondContact O-N 3.2Å
286T86.8Confident91.6Very high80 Ų8049.3 Ų49.349%0.49127%0.269SS..THydrogen-bonded Turntrans-109.8-11-171.862.10000114.1H283 E284 K288H283-T286 WeakPolarHBondContact CB-OG1 3.48Å; H283-T286 PolarHBondContact O-N 3.47Å; E284-T286 PolarHBondContact O-N 2.84Å; T286-K288 PolarHBondContact O-N 3.02Å; T286-K288 PolarHBondContact OG1-N 2.96Å
287A87.4Confident91.5Very high32 Ų3249.2 Ų49.226%0.26427%0.268SS..  trans55.49.6-170.200000115V249 H283V249-A287 HydrophobicContact CG1-CB 3.82Å; H283-A287 WeakPolarHBondContact O-CA 3.48Å; H283-A287 PolarHBondContact O-N 3.19Å
288K90.9Very high91.5Very high142 Ų14252 Ų5262%0.61728%0.276SS*.  trans-71.1135.1179.2-71.5-177.7-179.9179.30110W282 H283 T286 Y290W282-K288 WeakPolarHBondContact CA-O 3.36Å; W282-K288 VanDerWaalsContact CB-O 3.3Å; W282-K288 WeakPolarHBondContact CB-O 3.28Å; H283-K288 PolarHBondContact N-O 3.1Å; H283-K288 VanDerWaalsContact N-O 3.11Å; T286-K288 PolarHBondContact O-N 3.02Å; T286-K288 PolarHBondContact OG1-N 2.96Å; K288-Y290 PolarHBondContact O-N 3.37Å
289P91.3Very high91.5Very high85 Ų8551.9 Ų51.955%0.55228%0.275SS*.EExtended strand (participates in β ladder)trans-65.1124176.228.3-33.2000109.3
290Y91.5Very high91.5Very high43 Ų4353.3 Ų53.317%0.16928%0.283CS..EExtended strand (participates in β ladder)trans-81.7-64171.7-173.9-108.2000108N7 V9 I281 H283 K288 N327 L328N7-Y290 WeakPolarHBondContact CB-O 3.39Å; N7-Y290 PolarHBondContact ND2-O 3.07Å; V9-Y290 HydrophobicContact CG1-CE1 4.04Å; V9-Y290 HydrophobicContact CG2-CE1 3.98Å; V9-Y290 HydrophobicContact CG2-CE2 4.33Å; I281-Y290 HydrophobicContact CG2-CD1 3.94Å; I281-Y290 HydrophobicContact CG2-CG 4.48Å; I281-Y290 WeakPolarHBondContact O-CA 3.38Å; I281-Y290 WeakPolarHBondContact O-CB 3.36Å; I281-Y290 PolarHBondContact O-N 2.82Å; H283-Y290 AromaticContact CE1-CD2 3.77Å; H283-Y290 AromaticContact NE2-CD2 3.29Å; H283-Y290 VanDerWaalsContact NE2-CD2 3.29Å; H283-Y290 WeakPolarHBondContact NE2-CD2 3.45Å; H283-Y290 AromaticContact NE2-CE2 3.96Å; K288-Y290 PolarHBondContact O-N 3.37Å; Y290-N327 WeakPolarHBondContact OH-CB 3.5Å; Y290-L328 HydrophobicContact CD1-CD2 4.16Å; Y290-L328 HydrophobicContact CE1-CD2 3.84Å; Y290-L328 HydrophobicContact CE1-CG 4.41Å
291T91.6Very high91.4Very high1 Ų153.2 Ų53.21%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-144.4168.5177.859.50000112.4V9 I11 I281V9-T291 HydrophobicContact CB-CG2 3.23Å; V9-T291 HydrophobicContact CG1-CG2 3.52Å; V9-T291 HydrophobicContact CG2-CG2 3.45Å; V9-T291 VanDerWaalsContact CG2-CG2 3.45Å; I11-T291 HydrophobicContact CD1-CG2 4.4Å; I281-T291 WeakPolarHBondContact CB-OG1 3.45Å; I281-T291 WeakPolarHBondContact CD1-OG1 3.3Å; I281-T291 PolarHBondContact N-O 3.49Å; I281-T291 PolarHBondContact O-N 3.14Å; I281-T291 VanDerWaalsContact O-N 3.13Å; I281-T291 VanDerWaalsContact O-O 3.1Å
292S93Very high91.4Very high34 Ų3454 Ų5424%0.23829%0.288CS..EExtended strand (participates in β ladder)trans-136.1138.7172.152.90000109.7P6 L279P6-S292 VanDerWaalsContact CG-O 3.3Å; P6-S292 WeakPolarHBondContact CG-O 3.39Å; L279-S292 CarbonylContact O-C 3.51Å; L279-S292 WeakPolarHBondContact O-CA 3.47Å
293I93.3Very high91.3Very high4 Ų454.7 Ų54.72%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-114.2115.2173.7-60.2175.3000106.7I11 L279 I281 P295 L311 M313 Y323 I325I11-I293 HydrophobicContact CD1-CD1 4.18Å; I11-I293 HydrophobicContact CD1-CG1 3.57Å; I11-I293 HydrophobicContact CG2-CD1 3.98Å; I11-I293 HydrophobicContact CG2-CG1 4.09Å; L279-I293 HydrophobicContact CB-CB 4.35Å; L279-I293 HydrophobicContact CD2-CB 4.19Å; L279-I293 HydrophobicContact CD2-CD1 3.91Å; L279-I293 HydrophobicContact CD2-CG1 4.18Å; L279-I293 PolarHBondContact N-O 2.77Å; L279-I293 PolarHBondContact O-N 3.4Å; I281-I293 HydrophobicContact CD1-CD1 4.49Å; I293-P295 VanDerWaalsContact O-CD 3.26Å; I293-P295 WeakPolarHBondContact O-CD 3.49Å; I293-L311 HydrophobicContact CD1-CD1 4.01Å; I293-M313 HydrophobicContact CG2-CE 4.04Å; I293-Y323 HydrophobicContact CD1-CD1 4.13Å; I293-Y323 HydrophobicContact CD1-CG 4.09Å; I293-Y323 HydrophobicContact CG2-CD1 3.98Å; I293-Y323 HydrophobicContact CG2-CD2 4.28Å; I293-Y323 HydrophobicContact CG2-CE1 3.49Å; I293-Y323 VanDerWaalsContact CG2-CE1 3.49Å; I293-Y323 HydrophobicContact CG2-CE2 3.83Å; I293-Y323 HydrophobicContact CG2-CG 4.32Å; I293-I325 HydrophobicContact CD1-CD1 3.97Å
294E90.5Very high91.3Very high109 Ų10953.6 Ų53.651%0.50929%0.289SS..  trans-113.390.8177.9-55.9-162.2146.800109.5Y255 I278Y255-E294 PolarHBondContact OH-OE1 3.06Å; I278-E294 HydrophobicContact CB-CG 4.44Å; I278-E294 HydrophobicContact CG2-CB 4.27Å; I278-E294 HydrophobicContact CG2-CG 3.67Å
295P88.8Confident91.2Very high13 Ų1353.4 Ų53.48%0.08429%0.288CS..  trans-75.9139168.428.2-25.7000109.9K277 I293 V297 L299 L321K277-P295 WeakPolarHBondContact O-CD 3.43Å; I293-P295 VanDerWaalsContact O-CD 3.26Å; I293-P295 WeakPolarHBondContact O-CD 3.49Å; P295-V297 PolarHBondContact O-N 3.25Å; P295-L299 HydrophobicContact CG-CD1 3.79Å; P295-L299 HydrophobicContact CG-CD2 3.64Å; P295-L299 HydrophobicContact CG-CG 3.83Å; P295-L321 HydrophobicContact CB-CD1 3.53Å; P295-L321 HydrophobicContact CG-CD1 4.03Å
296N87.8Confident91Very high159 Ų15952.1 Ų52.185%0.8527%0.273SS*.SBendtrans-7440.7172.8-65.8-25.5000112.3
297V91.1Very high90.9Very high21 Ų2153.8 Ų53.813%0.12728%0.279CS..SBendtrans-146.8148.8-174.9-162.70000108.4P295 N315 D316 K317P295-V297 PolarHBondContact O-N 3.25Å; V297-N315 HydrophobicContact CB-CB 4.46Å; V297-N315 HydrophobicContact CG1-CB 3.88Å; V297-D316 HydrophobicContact CG1-CB 4.33Å; V297-K317 HydrophobicContact CG1-CB 4.17Å; V297-K317 HydrophobicContact CG1-CD 4.17Å; V297-K317 HydrophobicContact CG1-CG 3.72Å; V297-K317 HydrophobicContact CG2-CD 3.5Å; V297-K317 VanDerWaalsContact CG2-CD 3.5Å; V297-K317 VanDerWaalsContact CG2-CE 3.41Å; V297-K317 HydrophobicContact CG2-CG 4.02Å; V297-K317 VanDerWaalsContact CG2-NZ 3.34Å
298R94.3Very high90.8Very high170 Ų17052.6 Ų52.664%0.64227%0.268SS*.  trans-69132.2169.6-68.1177.4-179.2167.5-0.8110.5T276 N315 D316T276-R298 CarbonylContact O-C 3.21Å; T276-R298 WeakPolarHBondContact O-CA 3.35Å; R298-N315 VanDerWaalsContact O-CA 3.27Å; R298-N315 WeakPolarHBondContact O-CA 3.41Å; R298-N315 WeakPolarHBondContact O-CB 3.46Å; R298-D316 HydrophobicContact CB-CB 4.43Å; R298-D316 WeakPolarHBondContact CB-OD2 3.31Å; R298-D316 WeakPolarHBondContact CD-OD2 3.15Å; R298-D316 PolarHBondContact O-N 3.49Å
299L94.4Very high90.7Very high0 Ų045.8 Ų45.80%024%0.239CC..EExtended strand (participates in β ladder)trans-95.5140.1176.8-62.4179.9000110K260 M274 T276 L279 P295 M313 N315 L321K260-L299 WeakPolarHBondContact CD-O 3.44Å; K260-L299 WeakPolarHBondContact CE-O 3.08Å; K260-L299 PolarHBondContact NZ-O 3.2Å; M274-L299 HydrophobicContact CG-CB 4.2Å; M274-L299 HydrophobicContact CG-CD1 3.84Å; M274-L299 HydrophobicContact SD-CB 3.83Å; M274-L299 HydrophobicContact SD-CD1 4.03Å; T276-L299 PolarHBondContact O-N 3.13Å; L279-L299 HydrophobicContact CB-CD1 4.45Å; P295-L299 HydrophobicContact CG-CD1 3.79Å; P295-L299 HydrophobicContact CG-CD2 3.64Å; P295-L299 HydrophobicContact CG-CG 3.83Å; L299-M313 HydrophobicContact CD1-SD 3.67Å; L299-M313 HydrophobicContact CD2-CB 4.03Å; L299-M313 HydrophobicContact CD2-CE 4.47Å; L299-M313 HydrophobicContact CD2-SD 3.94Å; L299-M313 HydrophobicContact CG-SD 4.43Å; L299-N315 HydrophobicContact CD2-CB 4.37Å; L299-L321 HydrophobicContact CD2-CD1 4.05Å
300N93.2Very high90.7Very high30 Ų3041.8 Ų41.816%0.1621%0.213CC..EExtended strand (participates in β ladder)trans-112.4-47-177.9-68.6-29.4000112.4S55 H56 K260 A314 D316S55-N300 PolarHBondContact O-ND2 3.05Å; H56-N300 WeakPolarHBondContact O-CB 3.48Å; K260-N300 WeakPolarHBondContact CD-O 3.24Å; K260-N300 PolarHBondContact NZ-OD1 3.16Å; N300-A314 HydrophobicContact CB-CB 4.23Å; N300-A314 PolarHBondContact N-O 3.05Å; N300-D316 PolarHBondContact ND2-OD1 3.29Å
301D93.5Very high90.8Very high38 Ų3839.8 Ų39.820%0.20321%0.205CC..EExtended strand (participates in β ladder)trans-147.5154-174.9-168.818.6000110.8H56 A57 V58 M274 M313 A314H56-D301 WeakPolarHBondContact O-CB 3.35Å; A57-D301 WeakPolarHBondContact CA-OD2 3.43Å; V58-D301 PolarHBondContact N-OD2 2.94Å; V58-D301 VanDerWaalsContact N-OD2 3.17Å; M274-D301 VanDerWaalsContact CE-C 3.5Å; D301-M313 WeakPolarHBondContact O-CA 3.38Å; D301-A314 HydrophobicContact CB-CB 3.88Å; D301-A314 PolarHBondContact O-N 2.81Å
302L94.1Very high90.9Very high18 Ų1839.7 Ų39.79%0.09421%0.205CC..EExtended strand (participates in β ladder)trans-124.5121.7-179.2176.664000109.4A261 L272 M274 L279 L304 M313A261-L302 HydrophobicContact CB-CB 3.75Å; L272-L302 HydrophobicContact CB-CD2 4.06Å; M274-L302 HydrophobicContact CB-CD2 4.4Å; M274-L302 HydrophobicContact CE-CB 4.01Å; M274-L302 HydrophobicContact SD-CB 3.73Å; L279-L302 HydrophobicContact CD1-CD1 3.47Å; L279-L302 VanDerWaalsContact CD1-CD1 3.47Å; L279-L302 HydrophobicContact CD1-CD2 3.77Å; L279-L302 HydrophobicContact CD1-CG 4.22Å; L302-L304 HydrophobicContact CD1-CD2 4.11Å; L302-L304 HydrophobicContact CD2-CD2 4.16Å; L302-L304 HydrophobicContact CG-CD2 4.09Å; L302-M313 HydrophobicContact CD1-CG 3.77Å
303C92.6Very high91Very high13 Ų1338.1 Ų38.19%0.08819%0.193CC..EExtended strand (participates in β ladder)trans-116.7120.6171.7-175.90000110.3V58 A60 F312V58-C303 HydrophobicContact CB-CB 4.27Å; V58-C303 HydrophobicContact CG1-CB 4.02Å; V58-C303 VanDerWaalsContact O-CB 3.28Å; V58-C303 WeakPolarHBondContact O-CB 3.37Å; A60-C303 PolarHBondContact N-SG 3.03Å; C303-F312 HydrophobicContact CB-CB 4.18Å; C303-F312 PolarHBondContact N-O 3.49Å; C303-F312 PolarHBondContact O-N 3.07Å
304L91.7Very high91.1Very high40 Ų4037.9 Ų37.921%0.20919%0.192CC..EExtended strand (participates in β ladder)trans-93.4134.4174-54.7-179000109.2I265 L272 L302 L311I265-L304 HydrophobicContact CG1-CD1 4.44Å; L272-L304 HydrophobicContact CD1-CD1 3.88Å; L272-L304 HydrophobicContact CD1-CD2 4.16Å; L272-L304 HydrophobicContact CD2-CD2 3.92Å; L302-L304 HydrophobicContact CD1-CD2 4.11Å; L302-L304 HydrophobicContact CD2-CD2 4.16Å; L302-L304 HydrophobicContact CG-CD2 4.09Å; L304-L311 HydrophobicContact CD2-CD2 3.13Å
305V88.6Confident91.2Very high7 Ų732.7 Ų32.74%0.04217%0.168CC..PPolyproline II helixtrans-86.1119.8165.9178.30000108S308 L310 F312 P332V305-S308 VanDerWaalsContact CB-OG 3.24Å; V305-S308 WeakPolarHBondContact CB-OG 3.3Å; V305-S308 VanDerWaalsContact CG1-OG 3.3Å; V305-S308 WeakPolarHBondContact CG1-OG 3.35Å; V305-S308 PolarHBondContact O-N 3.14Å; V305-S308 PolarHBondContact O-OG 3.15Å; V305-L310 HydrophobicContact CG2-CD2 4.02Å; V305-L310 PolarHBondContact N-O 2.89Å; V305-F312 HydrophobicContact CG2-CD2 3.89Å; V305-F312 HydrophobicContact CG2-CE2 3.46Å; V305-F312 VanDerWaalsContact CG2-CE2 3.46Å; V305-P332 HydrophobicContact CG1-CB 4.49Å
306P84.8Confident91.4Very high56 Ų5635.3 Ų35.336%0.36418%0.181SC..THydrogen-bonded Turntrans-59.4142.9-175.722.9-33.2000112.1R64 S308R64-P306 HydrophobicContact CG-CG 4.01Å; R64-P306 PolarHBondContact NH1-O 2.73Å; P306-S308 PolarHBondContact O-N 2.87Å
307D83.6Confident91.5Very high114 Ų11432.8 Ų32.861%0.6116%0.163SC*.THydrogen-bonded Turntrans57.723.4-178.9-40.8-36.2000115.2R64R64-D307 IonicContact CZ-OD2 3.99Å; R64-D307 IonicContact NH1-OD2 3.57Å; R64-D307 PolarHBondContact NH1-OD2 3.12Å; R64-D307 IonicContact NH2-OD2 3.22Å; R64-D307 PolarHBondContact NH2-OD2 3.41Å
308S87.1Confident91.4Very high7 Ų735.5 Ų35.55%0.04917%0.174CC..SBendtrans-138155178.772.50000112.1V305 P306 L310 P330V305-S308 VanDerWaalsContact CB-OG 3.24Å; V305-S308 WeakPolarHBondContact CB-OG 3.3Å; V305-S308 VanDerWaalsContact CG1-OG 3.3Å; V305-S308 WeakPolarHBondContact CG1-OG 3.35Å; V305-S308 PolarHBondContact O-N 3.14Å; V305-S308 PolarHBondContact O-OG 3.15Å; P306-S308 PolarHBondContact O-N 2.87Å; S308-L310 PolarHBondContact O-N 3.09Å; S308-L310 VanDerWaalsContact O-N 3.15Å; S308-P330 WeakPolarHBondContact CA-O 3.41Å; S308-P330 WeakPolarHBondContact CB-O 3.46Å
309G88.1Confident91.1Very high0 Ų029.1 Ų29.10%015%0.151CC..SBendtrans-76.214.1173.900000114.6Y324 I325 G329G309-Y324 WeakPolarHBondContact O-CA 3.33Å; G309-I325 WeakPolarHBondContact CA-O 3.38Å; G309-I325 PolarHBondContact O-N 3.14Å; G309-G329 PolarHBondContact N-O 2.73Å
310L91.8Very high91Very high0 Ų029.2 Ų29.20%015%0.151CC..EExtended strand (participates in β ladder)trans-98.6125.1-172.5-161.8149.8000111.6L45 V305 S308 F312 Y323 Y324 P332 W334 L338L45-L310 HydrophobicContact CD1-CD1 4.01Å; V305-L310 HydrophobicContact CG2-CD2 4.02Å; V305-L310 PolarHBondContact N-O 2.89Å; S308-L310 PolarHBondContact O-N 3.09Å; S308-L310 VanDerWaalsContact O-N 3.15Å; L310-F312 HydrophobicContact CD2-CD1 4.18Å; L310-F312 HydrophobicContact CD2-CD2 3.89Å; L310-F312 HydrophobicContact CD2-CE1 3.64Å; L310-F312 HydrophobicContact CD2-CE2 3.32Å; L310-F312 HydrophobicContact CD2-CG 4.29Å; L310-F312 HydrophobicContact CD2-CZ 3.17Å; L310-Y323 WeakPolarHBondContact CA-O 3.37Å; L310-Y324 HydrophobicContact CB-CD2 4.4Å; L310-P332 HydrophobicContact CD1-CG 4.36Å; L310-W334 HydrophobicContact CD1-CH2 4.02Å; L310-W334 HydrophobicContact CD1-CZ2 4.36Å; L310-L338 HydrophobicContact CD1-CD1 4.24Å
311L93.5Very high91Very high1 Ų128.5 Ų28.51%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-122.3129.7-174.1-49.7171.5000109.8L272 I281 I293 L304 T322 Y323 I325L272-L311 HydrophobicContact CD2-CD1 4.1Å; L272-L311 HydrophobicContact CD2-CD2 3.8Å; I281-L311 HydrophobicContact CD1-CD1 4.33Å; I293-L311 HydrophobicContact CD1-CD1 4.01Å; L304-L311 HydrophobicContact CD2-CD2 3.13Å; L311-T322 WeakPolarHBondContact O-CA 3.49Å; L311-Y323 PolarHBondContact N-O 2.9Å; L311-Y323 PolarHBondContact O-N 3.04Å; L311-I325 HydrophobicContact CD1-CD1 4.03Å
312F93.9Very high91Very high0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-107.5129.7170-61.5-69.9000109.7I46 F49 V58 I67 C303 V305 L310 T322 W334I46-F312 HydrophobicContact CD1-CE1 4.36Å; I46-F312 HydrophobicContact CD1-CZ 4.28Å; F49-F312 AromaticContact CE1-CD1 3.73Å; F49-F312 HydrophobicContact CE1-CD1 3.73Å; F49-F312 HydrophobicContact CE1-CE1 4Å; F49-F312 AromaticContact CZ-CD1 3.84Å; F49-F312 HydrophobicContact CZ-CD1 3.84Å; F49-F312 HydrophobicContact CZ-CE1 4.04Å; V58-F312 HydrophobicContact CG1-CB 3.92Å; V58-F312 HydrophobicContact CG1-CG 4.5Å; I67-F312 HydrophobicContact CD1-CD2 4.28Å; I67-F312 HydrophobicContact CD1-CE1 4.22Å; I67-F312 HydrophobicContact CD1-CE2 3.38Å; I67-F312 HydrophobicContact CD1-CZ 3.35Å; I67-F312 HydrophobicContact CG1-CE2 4.26Å; C303-F312 HydrophobicContact CB-CB 4.18Å; C303-F312 PolarHBondContact N-O 3.49Å; C303-F312 PolarHBondContact O-N 3.07Å; V305-F312 HydrophobicContact CG2-CD2 3.89Å; V305-F312 HydrophobicContact CG2-CE2 3.46Å; V305-F312 VanDerWaalsContact CG2-CE2 3.46Å; L310-F312 HydrophobicContact CD2-CD1 4.18Å; L310-F312 HydrophobicContact CD2-CD2 3.89Å; L310-F312 HydrophobicContact CD2-CE1 3.64Å; L310-F312 HydrophobicContact CD2-CE2 3.32Å; L310-F312 HydrophobicContact CD2-CG 4.29Å; L310-F312 HydrophobicContact CD2-CZ 3.17Å; F312-T322 HydrophobicContact CD1-CG2 3.66Å; F312-T322 HydrophobicContact CE1-CG2 3.74Å; F312-W334 HydrophobicContact CZ-CH2 4.19Å
313M94.3Very high90.9Very high0 Ų026.9 Ų26.90%014%0.139CC..EExtended strand (participates in β ladder)trans-124.4124.3176-65.3-171.8-76.100111.3L279 I293 L299 D301 L302 I320 L321 Y323L279-M313 HydrophobicContact CB-SD 4.14Å; L279-M313 HydrophobicContact CD1-CG 4.45Å; L279-M313 HydrophobicContact CD1-SD 3.66Å; I293-M313 HydrophobicContact CG2-CE 4.04Å; L299-M313 HydrophobicContact CD1-SD 3.67Å; L299-M313 HydrophobicContact CD2-CB 4.03Å; L299-M313 HydrophobicContact CD2-CE 4.47Å; L299-M313 HydrophobicContact CD2-SD 3.94Å; L299-M313 HydrophobicContact CG-SD 4.43Å; D301-M313 WeakPolarHBondContact O-CA 3.38Å; L302-M313 HydrophobicContact CD1-CG 3.77Å; M313-I320 VanDerWaalsContact O-CG2 3.26Å; M313-I320 WeakPolarHBondContact O-CG2 3.27Å; M313-L321 HydrophobicContact CB-CB 4.28Å; M313-L321 HydrophobicContact CE-CB 4.38Å; M313-L321 HydrophobicContact CE-CD1 4.4Å; M313-L321 PolarHBondContact N-O 2.94Å; M313-L321 PolarHBondContact O-N 3.32Å; M313-Y323 HydrophobicContact CE-CD2 3.15Å; M313-Y323 HydrophobicContact CE-CE2 3.06Å; M313-Y323 HydrophobicContact CE-CG 4.24Å
314A94.5Very high90.9Very high0 Ų026.3 Ų26.30%014%0.135CC..EExtended strand (participates in β ladder)trans-74.9139.9170.200000109.8S55 H56 V58 N300 D301S55-A314 WeakPolarHBondContact OG-CA 3.2Å; H56-A314 WeakPolarHBondContact O-CB 3.48Å; V58-A314 HydrophobicContact CG2-CB 3.98Å; N300-A314 HydrophobicContact CB-CB 4.23Å; N300-A314 PolarHBondContact N-O 3.05Å; D301-A314 HydrophobicContact CB-CB 3.88Å; D301-A314 PolarHBondContact O-N 2.81Å
315N94Very high90.9Very high0 Ų024.4 Ų24.40%013%0.125CC..EExtended strand (participates in β ladder)trans-150.9168.1-171.768.3-11.9000113.1S55 V297 R298 L299 K317 K319 L321S55-N315 PolarHBondContact N-O 3.02Å; S55-N315 PolarHBondContact O-N 2.91Å; S55-N315 PolarHBondContact OG-N 3.31Å; S55-N315 PolarHBondContact OG-O 2.72Å; S55-N315 VanDerWaalsContact OG-O 3.1Å; S55-N315 PolarHBondContact OG-OD1 3.07Å; V297-N315 HydrophobicContact CB-CB 4.46Å; V297-N315 HydrophobicContact CG1-CB 3.88Å; R298-N315 VanDerWaalsContact O-CA 3.27Å; R298-N315 WeakPolarHBondContact O-CA 3.41Å; R298-N315 WeakPolarHBondContact O-CB 3.46Å; L299-N315 HydrophobicContact CD2-CB 4.37Å; N315-K317 PolarHBondContact O-N 3.04Å; N315-K317 VanDerWaalsContact O-N 3.1Å; N315-K317 PolarHBondContact OD1-O 2.86Å; N315-K319 PolarHBondContact ND2-O 3.15Å; N315-K319 PolarHBondContact OD1-O 3.23Å; N315-L321 HydrophobicContact CB-CD1 4.46Å; N315-L321 VanDerWaalsContact ND2-CG 3.3Å; N315-L321 WeakPolarHBondContact ND2-CG 3.42Å
316D92.1Very high91Very high67 Ų6725.7 Ų25.736%0.35813%0.133SC..SBendtrans-81.128.6176.2-65.2-6.4000113.1V297 R298 N300V297-D316 HydrophobicContact CG1-CB 4.33Å; R298-D316 HydrophobicContact CB-CB 4.43Å; R298-D316 WeakPolarHBondContact CB-OD2 3.31Å; R298-D316 WeakPolarHBondContact CD-OD2 3.15Å; R298-D316 PolarHBondContact O-N 3.49Å; N300-D316 PolarHBondContact ND2-OD1 3.29Å
317K90.4Very high91.2Very high106 Ų10626.9 Ų26.946%0.46114%0.136SC..SBendtrans-124.6160.8173.6-83.5-171.2-173.2162.50110.3D53 V297 N315 K319D53-K317 CarbonylContact O-C 3.6Å; V297-K317 HydrophobicContact CG1-CB 4.17Å; V297-K317 HydrophobicContact CG1-CD 4.17Å; V297-K317 HydrophobicContact CG1-CG 3.72Å; V297-K317 HydrophobicContact CG2-CD 3.5Å; V297-K317 VanDerWaalsContact CG2-CD 3.5Å; V297-K317 VanDerWaalsContact CG2-CE 3.41Å; V297-K317 HydrophobicContact CG2-CG 4.02Å; V297-K317 VanDerWaalsContact CG2-NZ 3.34Å; N315-K317 PolarHBondContact O-N 3.04Å; N315-K317 VanDerWaalsContact O-N 3.1Å; N315-K317 PolarHBondContact OD1-O 2.86Å; K317-K319 PolarHBondContact O-N 3.08Å; K317-K319 VanDerWaalsContact O-N 3.09Å
318Q88.8Confident91.4Very high79 Ų7921.6 Ų21.637%0.36911%0.108SC..SBendtrans-54.2-34.3177.9-161.6-171-3.300112.8A50 M51 D53A50-Q318 CarbonylContact C-O 3.51Å; A50-Q318 WeakPolarHBondContact CA-O 3.41Å; A50-Q318 VanDerWaalsContact CB-O 3.24Å; A50-Q318 WeakPolarHBondContact CB-O 3.36Å; M51-Q318 PolarHBondContact N-O 3.07Å; M51-Q318 CarbonylContact O-C 3.57Å; M51-Q318 WeakPolarHBondContact O-CA 2.88Å; M51-Q318 WeakPolarHBondContact O-CG 3.23Å; D53-Q318 PolarHBondContact O-N 3.22Å; D53-Q318 VanDerWaalsContact O-N 3.14Å
319K89Confident91.4Very high35 Ų3522 Ų2215%0.15211%0.113CC..BIsolated β-bridgetrans-101.8125.4-179.4-76.3174.2141.9-175.20111.3S15 G17 T19 A50 N315 K317S15-K319 PolarHBondContact O-NZ 2.89Å; S15-K319 VanDerWaalsContact O-NZ 3.1Å; G17-K319 PolarHBondContact O-NZ 2.89Å; T19-K319 HydrophobicContact CG2-CD 3.58Å; T19-K319 HydrophobicContact CG2-CG 4.35Å; A50-K319 HydrophobicContact CB-CG 4.49Å; N315-K319 PolarHBondContact ND2-O 3.15Å; N315-K319 PolarHBondContact OD1-O 3.23Å; K317-K319 PolarHBondContact O-N 3.08Å; K317-K319 VanDerWaalsContact O-N 3.09Å
320I92.5Very high91.6Very high2 Ų226 Ų261%0.0114%0.139CC..PPolyproline II helixtrans-64.6134.3167.9-56.2170.8000107.8F49 M51 V58 A69 M313F49-I320 HydrophobicContact CD1-CB 3.8Å; F49-I320 HydrophobicContact CD1-CD1 4.25Å; F49-I320 HydrophobicContact CD1-CG2 4.22Å; F49-I320 HydrophobicContact CE1-CB 3.51Å; F49-I320 HydrophobicContact CE1-CD1 3.89Å; F49-I320 HydrophobicContact CE1-CG1 4.29Å; F49-I320 HydrophobicContact CE1-CG2 3.41Å; F49-I320 VanDerWaalsContact CE1-CG2 3.41Å; F49-I320 HydrophobicContact CE2-CD1 4.27Å; F49-I320 HydrophobicContact CZ-CB 4.31Å; F49-I320 HydrophobicContact CZ-CD1 3.89Å; F49-I320 HydrophobicContact CZ-CG2 4.02Å; M51-I320 HydrophobicContact CE-CD1 4.26Å; M51-I320 HydrophobicContact CG-CD1 4.47Å; V58-I320 HydrophobicContact CG2-CD1 4.18Å; V58-I320 HydrophobicContact CG2-CG2 4.02Å; A69-I320 HydrophobicContact CB-CD1 3.58Å; M313-I320 VanDerWaalsContact O-CG2 3.26Å; M313-I320 WeakPolarHBondContact O-CG2 3.27Å
321L92.5Very high91.5Very high15 Ų1526.5 Ų26.58%0.07914%0.143CC..EExtended strand (participates in β ladder)trans-83.2129.2-176.7-57.2171.1000110S15 P295 L299 M313 N315 Y323S15-L321 WeakPolarHBondContact OG-CD2 3.44Å; P295-L321 HydrophobicContact CB-CD1 3.53Å; P295-L321 HydrophobicContact CG-CD1 4.03Å; L299-L321 HydrophobicContact CD2-CD1 4.05Å; M313-L321 HydrophobicContact CB-CB 4.28Å; M313-L321 HydrophobicContact CE-CB 4.38Å; M313-L321 HydrophobicContact CE-CD1 4.4Å; M313-L321 PolarHBondContact N-O 2.94Å; M313-L321 PolarHBondContact O-N 3.32Å; N315-L321 HydrophobicContact CB-CD1 4.46Å; N315-L321 VanDerWaalsContact ND2-CG 3.3Å; N315-L321 WeakPolarHBondContact ND2-CG 3.42Å; L321-Y323 HydrophobicContact CB-CD2 4.08Å; L321-Y323 HydrophobicContact CB-CE2 3.65Å; L321-Y323 HydrophobicContact CD1-CE2 4.1Å; L321-Y323 HydrophobicContact CG-CE2 4.35Å
322T93.4Very high91.3Very high10 Ų1027.2 Ų27.26%0.06115%0.148CC..EExtended strand (participates in β ladder)trans-118.6113.6178.161.70000108.3L14 S15 F49 L311 F312L14-T322 WeakPolarHBondContact CB-OG1 3.48Å; L14-T322 PolarHBondContact N-O 2.88Å; S15-T322 PolarHBondContact N-OG1 2.8Å; F49-T322 HydrophobicContact CD1-CG2 3.82Å; F49-T322 HydrophobicContact CE1-CG2 3.75Å; L311-T322 WeakPolarHBondContact O-CA 3.49Å; F312-T322 HydrophobicContact CD1-CG2 3.66Å; F312-T322 HydrophobicContact CE1-CG2 3.74Å
323Y92.6Very high90.9Very high13 Ų1338.8 Ų38.85%0.05119%0.191CC..EExtended strand (participates in β ladder)trans-112.1142.4178.6-73.7-90.7000110.2I11 Y12 N13 I293 L310 L311 M313 L321I11-Y323 HydrophobicContact CG2-CD1 3.66Å; I11-Y323 HydrophobicContact CG2-CE1 4.27Å; Y12-Y323 WeakPolarHBondContact O-CA 3.23Å; N13-Y323 HydrophobicContact CB-CD1 4.01Å; N13-Y323 HydrophobicContact CB-CE1 3.66Å; N13-Y323 PolarHBondContact ND2-OH 3.49Å; I293-Y323 HydrophobicContact CD1-CD1 4.13Å; I293-Y323 HydrophobicContact CD1-CG 4.09Å; I293-Y323 HydrophobicContact CG2-CD1 3.98Å; I293-Y323 HydrophobicContact CG2-CD2 4.28Å; I293-Y323 HydrophobicContact CG2-CE1 3.49Å; I293-Y323 VanDerWaalsContact CG2-CE1 3.49Å; I293-Y323 HydrophobicContact CG2-CE2 3.83Å; I293-Y323 HydrophobicContact CG2-CG 4.32Å; L310-Y323 WeakPolarHBondContact CA-O 3.37Å; L311-Y323 PolarHBondContact N-O 2.9Å; L311-Y323 PolarHBondContact O-N 3.04Å; M313-Y323 HydrophobicContact CE-CD2 3.15Å; M313-Y323 HydrophobicContact CE-CE2 3.06Å; M313-Y323 HydrophobicContact CE-CG 4.24Å; L321-Y323 HydrophobicContact CB-CD2 4.08Å; L321-Y323 HydrophobicContact CB-CE2 3.65Å; L321-Y323 HydrophobicContact CD1-CE2 4.1Å; L321-Y323 HydrophobicContact CG-CE2 4.35Å
324Y93Very high90.7Very high1 Ų140.8 Ų40.80%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-125131.5174-179.8-122.5000109.7Y12 G309 L310 P326 G329 A331 L338 D339 T342Y12-Y324 WeakPolarHBondContact CB-O 3.48Å; Y12-Y324 HydrophobicContact CD2-CD1 4.33Å; Y12-Y324 PolarHBondContact N-O 2.92Å; Y12-Y324 PolarHBondContact O-N 2.97Å; G309-Y324 WeakPolarHBondContact O-CA 3.33Å; L310-Y324 HydrophobicContact CB-CD2 4.4Å; Y324-P326 HydrophobicContact CE1-CB 4.04Å; Y324-G329 PolarHBondContact OH-O 2.82Å; Y324-A331 HydrophobicContact CE2-CB 4.15Å; Y324-A331 PolarHBondContact OH-N 2.86Å; Y324-A331 VanDerWaalsContact OH-N 3.09Å; Y324-L338 HydrophobicContact CG-CD1 4.49Å; Y324-D339 VanDerWaalsContact CZ-OD1 3.3Å; Y324-D339 PolarHBondContact OH-OD1 3.16Å; Y324-T342 HydrophobicContact CD1-CG2 3.95Å; Y324-T342 HydrophobicContact CE1-CG2 3.94Å
325I91.5Very high90.2Very high0 Ų040.8 Ų40.80%020%0.199CC..  trans-127.9100.2177.8-54.8176.2000107.5V9 I11 I281 I293 G309 L311 N327 L328V9-I325 HydrophobicContact CG1-CG2 3.91Å; I11-I325 HydrophobicContact CB-CG1 4.48Å; I11-I325 HydrophobicContact CD1-CD1 4.27Å; I11-I325 HydrophobicContact CG1-CD1 4.21Å; I11-I325 HydrophobicContact CG1-CG1 4.13Å; I11-I325 HydrophobicContact CG2-CG1 4.17Å; I281-I325 HydrophobicContact CD1-CD1 3.51Å; I293-I325 HydrophobicContact CD1-CD1 3.97Å; G309-I325 WeakPolarHBondContact CA-O 3.38Å; G309-I325 PolarHBondContact O-N 3.14Å; L311-I325 HydrophobicContact CD1-CD1 4.03Å; I325-N327 HydrophobicContact CG2-CB 4.36Å; I325-N327 PolarHBondContact O-N 2.94Å; I325-L328 HydrophobicContact CB-CB 4.33Å; I325-L328 HydrophobicContact CB-CD1 3.88Å; I325-L328 HydrophobicContact CB-CG 4.04Å; I325-L328 HydrophobicContact CD1-CD1 3.62Å; I325-L328 HydrophobicContact CD1-CG 4.49Å; I325-L328 HydrophobicContact CG1-CD1 4.29Å; I325-L328 HydrophobicContact CG2-CB 4.31Å; I325-L328 HydrophobicContact CG2-CD1 4.03Å; I325-L328 HydrophobicContact CG2-CG 3.75Å; I325-L328 PolarHBondContact O-N 3.42Å; I325-L328 VanDerWaalsContact O-N 3.09Å
326P89.8Confident89.8Confident33 Ų3343.3 Ų43.321%0.21422%0.22CC..G310 helixtrans-63.4-29.2-176.225.6-35.7000112.5Y12 Y324 L328 G329Y12-P326 HydrophobicContact CD2-CG 4.19Å; Y12-P326 HydrophobicContact CE2-CG 3.72Å; Y324-P326 HydrophobicContact CE1-CB 4.04Å; P326-L328 PolarHBondContact O-N 3.29Å; P326-G329 PolarHBondContact O-N 2.66Å
327N88.3Confident89.5Confident82 Ų8243.5 Ų43.544%0.43922%0.218SC..G310 helixtrans-67.7-20178.1-60.844.8000113.9V9 Y290 I325V9-N327 HydrophobicContact CG1-CB 4.2Å; Y290-N327 WeakPolarHBondContact OH-CB 3.5Å; I325-N327 HydrophobicContact CG2-CB 4.36Å; I325-N327 PolarHBondContact O-N 2.94Å
328L88.4Confident89.4Confident3 Ų338.5 Ų38.52%0.01620%0.196CC..G310 helixtrans-86-19.1176.3-69.7178.4000112.5I265 P268 V270 I281 Y290 I325 P326I265-L328 HydrophobicContact CD1-CB 4.37Å; I265-L328 HydrophobicContact CD1-CD1 3.87Å; I265-L328 HydrophobicContact CD1-CD2 4.48Å; I265-L328 HydrophobicContact CD1-CG 4.48Å; P268-L328 WeakPolarHBondContact CD-O 3.45Å; P268-L328 HydrophobicContact CG-CD2 3.99Å; V270-L328 HydrophobicContact CG1-CD2 4.35Å; V270-L328 HydrophobicContact CG2-CD2 4.47Å; I281-L328 HydrophobicContact CD1-CD1 3.9Å; I281-L328 HydrophobicContact CG2-CD1 4.45Å; I281-L328 HydrophobicContact CG2-CD2 4.37Å; Y290-L328 HydrophobicContact CD1-CD2 4.16Å; Y290-L328 HydrophobicContact CE1-CD2 3.84Å; Y290-L328 HydrophobicContact CE1-CG 4.41Å; I325-L328 HydrophobicContact CB-CB 4.33Å; I325-L328 HydrophobicContact CB-CD1 3.88Å; I325-L328 HydrophobicContact CB-CG 4.04Å; I325-L328 HydrophobicContact CD1-CD1 3.62Å; I325-L328 HydrophobicContact CD1-CG 4.49Å; I325-L328 HydrophobicContact CG1-CD1 4.29Å; I325-L328 HydrophobicContact CG2-CB 4.31Å; I325-L328 HydrophobicContact CG2-CD1 4.03Å; I325-L328 HydrophobicContact CG2-CG 3.75Å; I325-L328 PolarHBondContact O-N 3.42Å; I325-L328 VanDerWaalsContact O-N 3.09Å; P326-L328 PolarHBondContact O-N 3.29Å
329G88.3Confident89.4Confident14 Ų1436.8 Ų36.814%0.14419%0.189CC..  trans158.2159.3-178.800000111.5G309 Y324 P326G309-G329 PolarHBondContact N-O 2.73Å; Y324-G329 PolarHBondContact OH-O 2.82Å; P326-G329 PolarHBondContact O-N 2.66Å
330P91.3Very high89.5Confident84 Ų8439.8 Ų39.855%0.54521%0.207SC..PPolyproline II helixtrans-64.7164.2-179.329.2-35.5000111.7S308S308-P330 WeakPolarHBondContact CA-O 3.41Å; S308-P330 WeakPolarHBondContact CB-O 3.46Å
331A89.8Confident89.2Confident11 Ų1141.6 Ų41.69%0.09122%0.216CC..PPolyproline II helixtrans-66.2146.5171.300000109.9Y324 C335 L338 D339Y324-A331 HydrophobicContact CE2-CB 4.15Å; Y324-A331 PolarHBondContact OH-N 2.86Å; Y324-A331 VanDerWaalsContact OH-N 3.09Å; A331-C335 HydrophobicContact CB-CB 4.32Å; A331-C335 VanDerWaalsContact CB-O 3.31Å; A331-C335 WeakPolarHBondContact CB-O 3.46Å; A331-L338 HydrophobicContact CB-CB 4.04Å; A331-L338 HydrophobicContact CB-CD1 4.45Å; A331-D339 VanDerWaalsContact CB-OD1 3.32Å; A331-D339 WeakPolarHBondContact CB-OD1 3.29Å; A331-D339 PolarHBondContact N-OD1 2.94Å; A331-D339 PolarHBondContact N-OD2 3.26Å; A331-D339 VanDerWaalsContact N-OD2 3.13Å
332P88.5Confident88.9Confident16 Ų1641.2 Ų41.210%0.10422%0.215CC..PPolyproline II helixtrans-66159.3177.329-34000110.6V305 L310 W334 C335 A336V305-P332 HydrophobicContact CG1-CB 4.49Å; L310-P332 HydrophobicContact CD1-CG 4.36Å; P332-W334 VanDerWaalsContact C-N 3.26Å; P332-W334 HydrophobicContact CB-CZ2 4.38Å; P332-W334 HydrophobicContact CG-CD2 4.01Å; P332-W334 HydrophobicContact CG-CG 4.49Å; P332-W334 HydrophobicContact CG-CH2 4.34Å; P332-W334 HydrophobicContact CG-CZ2 3.47Å; P332-W334 VanDerWaalsContact CG-CZ2 3.47Å; P332-W334 PolarHBondContact O-N 2.9Å; P332-C335 HydrophobicContact CG-CB 4.03Å; P332-C335 CarbonylContact O-C 3.58Å; P332-C335 VanDerWaalsContact O-C 3.31Å; P332-C335 WeakPolarHBondContact O-CA 3.42Å; P332-C335 PolarHBondContact O-N 2.88Å; P332-A336 PolarHBondContact O-N 2.92Å
333R86.8Confident88.6Confident244 Ų24446.3 Ų46.392%0.92124%0.237SC*.G310 helixtrans-51.9-38.2-170.9-66.6-177.9179.3174.90.3114.9C335R333-C335 PolarHBondContact O-N 3Å
334W88.8Confident88.2Confident41 Ų4151.5 Ų51.516%0.15526%0.262CS..G310 helixtrans-71.6-16.4178.253.4-98.4000113.5V82 L85 L310 F312 P332V82-W334 HydrophobicContact CB-CD2 4.4Å; V82-W334 HydrophobicContact CG1-CB 4.14Å; V82-W334 HydrophobicContact CG1-CD2 2.95Å; V82-W334 HydrophobicContact CG1-CE3 3.22Å; V82-W334 HydrophobicContact CG1-CG 3.35Å; V82-W334 HydrophobicContact CG1-CH2 3.72Å; V82-W334 HydrophobicContact CG1-CZ2 3.47Å; V82-W334 VanDerWaalsContact CG1-CZ2 3.47Å; V82-W334 HydrophobicContact CG1-CZ3 3.56Å; L85-W334 HydrophobicContact CD2-CE3 3.77Å; L85-W334 HydrophobicContact CD2-CZ3 4.09Å; L310-W334 HydrophobicContact CD1-CH2 4.02Å; L310-W334 HydrophobicContact CD1-CZ2 4.36Å; F312-W334 HydrophobicContact CZ-CH2 4.19Å; P332-W334 VanDerWaalsContact C-N 3.26Å; P332-W334 HydrophobicContact CB-CZ2 4.38Å; P332-W334 HydrophobicContact CG-CD2 4.01Å; P332-W334 HydrophobicContact CG-CG 4.49Å; P332-W334 HydrophobicContact CG-CH2 4.34Å; P332-W334 HydrophobicContact CG-CZ2 3.47Å; P332-W334 VanDerWaalsContact CG-CZ2 3.47Å; P332-W334 PolarHBondContact O-N 2.9Å
335C85.2Confident87.7Confident0 Ų054.5 Ų54.50%028%0.278CS..G310 helixtrans-117.324.4179.1-102.80000112.8L45 A331 P332 R333 F337 L338L45-C335 VanDerWaalsContact CD2-SG 3.58Å; A331-C335 HydrophobicContact CB-CB 4.32Å; A331-C335 VanDerWaalsContact CB-O 3.31Å; A331-C335 WeakPolarHBondContact CB-O 3.46Å; P332-C335 HydrophobicContact CG-CB 4.03Å; P332-C335 CarbonylContact O-C 3.58Å; P332-C335 VanDerWaalsContact O-C 3.31Å; P332-C335 WeakPolarHBondContact O-CA 3.42Å; P332-C335 PolarHBondContact O-N 2.88Å; R333-C335 PolarHBondContact O-N 3Å; C335-F337 PolarHBondContact O-N 3.27Å; C335-L338 HydrophobicContact CB-CD1 3.91Å; C335-L338 HydrophobicContact CB-CG 4.23Å; C335-L338 VanDerWaalsContact O-CB 3.3Å; C335-L338 WeakPolarHBondContact O-CB 3.44Å; C335-L338 PolarHBondContact O-N 3.44Å
336A85.3Confident87.1Confident53 Ų5356.9 Ų56.944%0.43829%0.289SS..Hα-helixtrans-56.9-24.6-179.200000113.5P332 L338 D339P332-A336 PolarHBondContact O-N 2.92Å; A336-L338 PolarHBondContact O-N 3.11Å; A336-D339 PolarHBondContact O-N 2.95Å
337F86.5Confident86.6Confident72 Ų7261.3 Ų61.332%0.31631%0.307SS..Hα-helixtrans-65.1-24175.574.8-95.2000113.4I43 L45 L85 C335 D339 N340 I341I43-F337 HydrophobicContact CG2-CE2 4.43Å; L45-F337 HydrophobicContact CD2-CE1 4.34Å; L45-F337 HydrophobicContact CD2-CE2 4.09Å; L45-F337 HydrophobicContact CD2-CZ 3.47Å; L45-F337 VanDerWaalsContact CD2-CZ 3.47Å; L85-F337 HydrophobicContact CD1-CE1 4.48Å; C335-F337 PolarHBondContact O-N 3.27Å; F337-D339 VanDerWaalsContact C-N 3.31Å; F337-D339 PolarHBondContact O-N 3.42Å; F337-N340 PolarHBondContact O-N 3.44Å; F337-I341 HydrophobicContact CD2-CD1 3.63Å; F337-I341 HydrophobicContact CD2-CG1 4.5Å; F337-I341 HydrophobicContact CE2-CD1 4.03Å; F337-I341 WeakPolarHBondContact O-CG1 3.41Å; F337-I341 PolarHBondContact O-N 3.28Å; F337-I341 VanDerWaalsContact O-N 3.11Å
338L87.9Confident85.9Confident0 Ų060.8 Ų60.80%031%0.307CS..Hα-helixtrans-63-40.5178.6-79.3-178.7000111.4L14 L45 L310 Y324 A331 C335 A336 N340 I341 T342L14-L338 HydrophobicContact CD1-CD1 3.88Å; L14-L338 HydrophobicContact CD1-CD2 4.05Å; L14-L338 HydrophobicContact CD2-CD2 4.08Å; L45-L338 HydrophobicContact CD1-CD1 4.03Å; L45-L338 HydrophobicContact CD2-CD1 3.82Å; L45-L338 HydrophobicContact CD2-CD2 3.6Å; L45-L338 HydrophobicContact CD2-CG 3.78Å; L45-L338 HydrophobicContact CG-CD1 4.47Å; L310-L338 HydrophobicContact CD1-CD1 4.24Å; Y324-L338 HydrophobicContact CG-CD1 4.49Å; A331-L338 HydrophobicContact CB-CB 4.04Å; A331-L338 HydrophobicContact CB-CD1 4.45Å; C335-L338 HydrophobicContact CB-CD1 3.91Å; C335-L338 HydrophobicContact CB-CG 4.23Å; C335-L338 VanDerWaalsContact O-CB 3.3Å; C335-L338 WeakPolarHBondContact O-CB 3.44Å; C335-L338 PolarHBondContact O-N 3.44Å; A336-L338 PolarHBondContact O-N 3.11Å; L338-N340 VanDerWaalsContact C-N 3.33Å; L338-N340 PolarHBondContact O-N 2.63Å; L338-I341 PolarHBondContact O-N 3.29Å; L338-T342 WeakPolarHBondContact O-CG2 3.31Å; L338-T342 PolarHBondContact O-N 3.31Å; L338-T342 PolarHBondContact O-OG1 3.01Å
339D88.4Confident84.8Confident43 Ų4363.4 Ų63.423%0.2332%0.323CS..Hα-helixtrans-60.2-47.3-179.3-70.5-20.5000110.3Y324 A331 A336 F337 I341 T342 E343Y324-D339 VanDerWaalsContact CZ-OD1 3.3Å; Y324-D339 PolarHBondContact OH-OD1 3.16Å; A331-D339 VanDerWaalsContact CB-OD1 3.32Å; A331-D339 WeakPolarHBondContact CB-OD1 3.29Å; A331-D339 PolarHBondContact N-OD1 2.94Å; A331-D339 PolarHBondContact N-OD2 3.26Å; A331-D339 VanDerWaalsContact N-OD2 3.13Å; A336-D339 PolarHBondContact O-N 2.95Å; F337-D339 VanDerWaalsContact C-N 3.31Å; F337-D339 PolarHBondContact O-N 3.42Å; D339-I341 PolarHBondContact O-N 3.1Å; D339-T342 WeakPolarHBondContact CA-OG1 3.31Å; D339-T342 PolarHBondContact O-N 2.8Å; D339-T342 PolarHBondContact O-OG1 3.19Å; D339-E343 WeakPolarHBondContact O-CB 3.13Å; D339-E343 PolarHBondContact O-N 3.25Å
340N90.7Very high83.6Confident99 Ų9969.3 Ų69.353%0.52935%0.347SS..Hα-helixtrans-59.5-44.2175.4-62.1-9.8000112.1F337 L338 T342 E343 E344F337-N340 PolarHBondContact O-N 3.44Å; L338-N340 VanDerWaalsContact C-N 3.33Å; L338-N340 PolarHBondContact O-N 2.63Å; N340-T342 VanDerWaalsContact C-N 3.33Å; N340-T342 PolarHBondContact O-N 3.09Å; N340-E343 PolarHBondContact O-N 2.51Å; N340-E344 WeakPolarHBondContact O-CB 3.31Å; N340-E344 WeakPolarHBondContact O-CG 3.41Å; N340-E344 PolarHBondContact O-N 3.42Å
341I87Confident82Confident40 Ų4068 Ų6821%0.20534%0.344CS..Hα-helixtrans-65.4-40.3178.7-68.1176.3000110.7M1 I43 F337 L338 D339 L345M1-I341 HydrophobicContact SD-CG2 4.46Å; I43-I341 HydrophobicContact CD1-CD1 3.86Å; I43-I341 HydrophobicContact CD1-CG2 3.86Å; F337-I341 HydrophobicContact CD2-CD1 3.63Å; F337-I341 HydrophobicContact CD2-CG1 4.5Å; F337-I341 HydrophobicContact CE2-CD1 4.03Å; F337-I341 WeakPolarHBondContact O-CG1 3.41Å; F337-I341 PolarHBondContact O-N 3.28Å; F337-I341 VanDerWaalsContact O-N 3.11Å; L338-I341 PolarHBondContact O-N 3.29Å; D339-I341 PolarHBondContact O-N 3.1Å; I341-L345 HydrophobicContact CG2-CD1 3.99Å; I341-L345 HydrophobicContact CG2-CG 4.44Å; I341-L345 WeakPolarHBondContact O-CB 3.43Å; I341-L345 VanDerWaalsContact O-CG 3.23Å; I341-L345 WeakPolarHBondContact O-CG 3.29Å; I341-L345 PolarHBondContact O-N 3.32Å
342T85.8Confident80.5Confident7 Ų774 Ų744%0.04337%0.37CS..Hα-helixtrans-64.7-44.3176.152.90000110.6M1 Y12 Y324 L338 D339 N340 E344 L345 E346M1-T342 HydrophobicContact CE-CG2 3.84Å; Y12-T342 HydrophobicContact CD1-CG2 4.25Å; Y12-T342 HydrophobicContact CD2-CG2 3.89Å; Y12-T342 HydrophobicContact CE1-CG2 4.13Å; Y12-T342 HydrophobicContact CE2-CG2 3.8Å; Y12-T342 HydrophobicContact CG-CG2 4.1Å; Y324-T342 HydrophobicContact CD1-CG2 3.95Å; Y324-T342 HydrophobicContact CE1-CG2 3.94Å; L338-T342 WeakPolarHBondContact O-CG2 3.31Å; L338-T342 PolarHBondContact O-N 3.31Å; L338-T342 PolarHBondContact O-OG1 3.01Å; D339-T342 WeakPolarHBondContact CA-OG1 3.31Å; D339-T342 PolarHBondContact O-N 2.8Å; D339-T342 PolarHBondContact O-OG1 3.19Å; N340-T342 VanDerWaalsContact C-N 3.33Å; N340-T342 PolarHBondContact O-N 3.09Å; T342-E344 PolarHBondContact O-N 3.05Å; T342-L345 PolarHBondContact O-N 2.66Å; T342-E346 WeakPolarHBondContact O-CG 3.28Å; T342-E346 PolarHBondContact O-N 2.72Å
343E86.6Confident79.2Confident116 Ų11677.7 Ų77.754%0.54239%0.391SS..Hα-helixtrans-60.4-45.7176.9-168.5172.6-167.200111.9D339 N340 L345 E346 E347D339-E343 WeakPolarHBondContact O-CB 3.13Å; D339-E343 PolarHBondContact O-N 3.25Å; N340-E343 PolarHBondContact O-N 2.51Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 3.19Å; E343-E346 WeakPolarHBondContact O-CB 3.09Å; E343-E346 PolarHBondContact O-N 2.89Å; E343-E346 VanDerWaalsContact O-N 3.1Å; E343-E347 PolarHBondContact O-N 2.96Å
344E85.4Confident77.9Confident123 Ų12370 Ų7058%0.57537%0.365SS*.Hα-helixtrans-60.7-39.1175.2-75.1-178.9-178.500112.8N340 T342 E346 T348N340-E344 WeakPolarHBondContact O-CB 3.31Å; N340-E344 WeakPolarHBondContact O-CG 3.41Å; N340-E344 PolarHBondContact O-N 3.42Å; T342-E344 PolarHBondContact O-N 3.05Å; E344-E346 VanDerWaalsContact C-N 3.32Å; E344-T348 WeakPolarHBondContact O-CB 3.04Å; E344-T348 PolarHBondContact O-N 3.03Å; E344-T348 PolarHBondContact O-OG1 2.99Å
345L82Confident76.9Confident64 Ų6474.5 Ų74.534%0.33539%0.392SS..Hα-helixtrans-67.4-36.7175.9-74.5171000111.2M1 I341 T342 E343 T348 T349M1-L345 HydrophobicContact CE-CD1 4.06Å; M1-L345 HydrophobicContact SD-CD1 3.68Å; I341-L345 HydrophobicContact CG2-CD1 3.99Å; I341-L345 HydrophobicContact CG2-CG 4.44Å; I341-L345 WeakPolarHBondContact O-CB 3.43Å; I341-L345 VanDerWaalsContact O-CG 3.23Å; I341-L345 WeakPolarHBondContact O-CG 3.29Å; I341-L345 PolarHBondContact O-N 3.32Å; T342-L345 PolarHBondContact O-N 2.66Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 3.19Å; L345-T348 PolarHBondContact O-N 2.71Å; L345-T349 WeakPolarHBondContact O-CG2 3.48Å; L345-T349 PolarHBondContact O-N 3.36Å; L345-T349 PolarHBondContact O-OG1 3.1Å
346E78.9Confident76.6Confident49 Ų4979.6 Ų79.623%0.22942%0.419CS..Hα-helixtrans-66.3-41.7176.7-67.9-175.5168.800111.9R10 Y12 T342 E343 E344 T349R10-E346 WeakPolarHBondContact CD-OE1 3.32Å; R10-E346 IonicContact CZ-OE1 3.31Å; R10-E346 IonicContact NH1-OE1 2.66Å; R10-E346 PolarHBondContact NH1-OE1 2.92Å; R10-E346 IonicContact NH1-OE2 3.53Å; R10-E346 PolarHBondContact NH1-OE2 3.46Å; Y12-E346 WeakPolarHBondContact OH-CG 3.39Å; Y12-E346 PolarHBondContact OH-OE1 3.14Å; T342-E346 WeakPolarHBondContact O-CG 3.28Å; T342-E346 PolarHBondContact O-N 2.72Å; E343-E346 WeakPolarHBondContact O-CB 3.09Å; E343-E346 PolarHBondContact O-N 2.89Å; E343-E346 VanDerWaalsContact O-N 3.1Å; E344-E346 VanDerWaalsContact C-N 3.32Å; E346-T349 PolarHBondContact O-OG1 2.93Å
347E78.3Confident76.5Confident127 Ų12781.7 Ų81.759%0.59342%0.417SS*.Hα-helixtrans-63.1-43.9172.7-68.8-174.6167.500111.9E343 T349 Q350 A351E343-E347 PolarHBondContact O-N 2.96Å; E347-T349 PolarHBondContact O-N 3.17Å; E347-Q350 PolarHBondContact O-N 2.86Å; E347-A351 PolarHBondContact O-N 3.4Å
348T74.1Confident76.4Confident71 Ų7182.2 Ų82.244%0.43642%0.419SS..Hα-helixtrans-63.8-42.8-177.3-56.80000111.7E344 L345 Q350 A351 E352E344-T348 WeakPolarHBondContact O-CB 3.04Å; E344-T348 PolarHBondContact O-N 3.03Å; E344-T348 PolarHBondContact O-OG1 2.99Å; L345-T348 PolarHBondContact O-N 2.71Å; T348-Q350 PolarHBondContact O-N 3.04Å; T348-A351 PolarHBondContact O-N 2.9Å; T348-A351 VanDerWaalsContact O-N 3.1Å; T348-E352 PolarHBondContact O-N 3.34Å
349T66.1Low76.4Confident58 Ų5885.6 Ų85.636%0.35643%0.434SS..Hα-helixtrans-62.7-28.7-179.854.80000113.3L345 E346 E347L345-T349 WeakPolarHBondContact O-CG2 3.48Å; L345-T349 PolarHBondContact O-N 3.36Å; L345-T349 PolarHBondContact O-OG1 3.1Å; E346-T349 PolarHBondContact O-OG1 2.93Å; E347-T349 PolarHBondContact O-N 3.17Å
350Q61.9Low76.3Confident137 Ų13783.6 Ų83.664%0.6442%0.423SS*.Hα-helixtrans-74.2-30.9175.9-66.2-176.46.300112.6E347 T348E347-Q350 PolarHBondContact O-N 2.86Å; T348-Q350 PolarHBondContact O-N 3.04Å
351A57.2Low76.2Confident58 Ų5880.7 Ų80.748%0.47941%0.409SS..Hα-helixtrans-73.5-39.4-179.200000112.9E347 T348 V353 F354E347-A351 PolarHBondContact O-N 3.4Å; T348-A351 PolarHBondContact O-N 2.9Å; T348-A351 VanDerWaalsContact O-N 3.1Å; A351-V353 PolarHBondContact O-N 3.22Å; A351-F354 PolarHBondContact O-N 3.2Å
352E59.7Low76.2Confident137 Ų13781.9 Ų81.964%0.6442%0.418SS*.Hα-helixtrans-64.5-24.9-174.4-69.1-172.7169.300113.7T348 F354T348-E352 PolarHBondContact O-N 3.34Å; E352-F354 PolarHBondContact O-N 3.03Å
353V60.2Low76.3Confident92 Ų9291.4 Ų91.456%0.55845%0.453SS*.THydrogen-bonded Turntrans-66.6-18.8-177.8-178.70000112.5A351 Y357A351-V353 PolarHBondContact O-N 3.22Å; V353-Y357 WeakPolarHBondContact O-CD2 3.41Å
354F61Low76.3Confident82 Ų8289.5 Ų89.536%0.3645%0.446SS..THydrogen-bonded Turntrans-118.20.1-173.7-66.6-75.4000115.9A351 E352 D356 Y357 F387A351-F354 PolarHBondContact O-N 3.2Å; E352-F354 PolarHBondContact O-N 3.03Å; F354-D356 VanDerWaalsContact C-N 3.26Å; F354-D356 PolarHBondContact O-N 3.31Å; F354-Y357 PolarHBondContact O-N 2.81Å; F354-F387 HydrophobicContact CD1-CD1 4.4Å; F354-F387 HydrophobicContact CD1-CD2 4.23Å; F354-F387 HydrophobicContact CD1-CE1 4.28Å; F354-F387 HydrophobicContact CD1-CE2 4.07Å; F354-F387 HydrophobicContact CD1-CG 4.38Å; F354-F387 HydrophobicContact CD1-CZ 4.12Å; F354-F387 AromaticContact CE1-CD2 3.91Å; F354-F387 HydrophobicContact CE1-CD2 3.91Å; F354-F387 AromaticContact CE1-CE2 3.83Å; F354-F387 HydrophobicContact CE1-CE2 3.83Å; F354-F387 HydrophobicContact CE1-CG 4.43Å; F354-F387 HydrophobicContact CE1-CZ 4.31Å
355D66.7Low76.3Confident136 Ų13683.6 Ų83.673%0.72742%0.419SS*.THydrogen-bonded Turntrans-62.6-32.3-176.4-94.3-9000113.3
356D78.6Confident76.5Confident108 Ų10885 Ų8558%0.57843%0.427SS*.THydrogen-bonded Turntrans-90.2-1178.4-82-19.1000113.5F354 A390F354-D356 VanDerWaalsContact C-N 3.26Å; F354-D356 PolarHBondContact O-N 3.31Å; D356-A390 VanDerWaalsContact O-CB 3.27Å; D356-A390 WeakPolarHBondContact O-CB 3.2Å; D356-A390 PolarHBondContact O-N 2.88Å
357Y83.5Confident76.8Confident96 Ų9689.6 Ų89.638%0.37645%0.45SS..EExtended strand (participates in β ladder)trans-103.2136.7-179.1-73-83.3000112V353 F354 F387 I388 D389V353-Y357 WeakPolarHBondContact O-CD2 3.41Å; F354-Y357 PolarHBondContact O-N 2.81Å; Y357-F387 HydrophobicContact CD1-CB 3.99Å; Y357-F387 HydrophobicContact CG-CB 4.3Å; Y357-I388 CarbonylContact C-O 3.17Å; Y357-I388 WeakPolarHBondContact CA-O 3.39Å; Y357-D389 WeakPolarHBondContact CE1-OD1 3.41Å; Y357-D389 PolarHBondContact OH-OD1 2.79Å
358K83.6Confident77Confident83 Ų8384.6 Ų84.636%0.36143%0.427SS..EExtended strand (participates in β ladder)trans-104.8129.6170.4-167.4177.2-177.6176.20110I388 Y393K358-I388 PolarHBondContact N-O 2.86Å; K358-I388 PolarHBondContact O-N 2.93Å; K358-Y393 HydrophobicContact CB-CG 4.46Å; K358-Y393 HydrophobicContact CD-CD1 3.43Å; K358-Y393 VanDerWaalsContact CD-CD1 3.43Å; K358-Y393 HydrophobicContact CD-CD2 3.87Å; K358-Y393 HydrophobicContact CD-CE1 3.46Å; K358-Y393 VanDerWaalsContact CD-CE1 3.46Å; K358-Y393 HydrophobicContact CD-CE2 3.84Å; K358-Y393 HydrophobicContact CD-CG 3.65Å; K358-Y393 PolarHBondContact NZ-OH 2.94Å
359F87.9Confident77.5Confident71 Ų7183.8 Ų83.831%0.31143%0.433SS..EExtended strand (participates in β ladder)trans-73127.2171.1-174.1-102000110.4T361 Y382 H384 F387F359-T361 HydrophobicContact CE1-CG2 4.2Å; F359-Y382 HydrophobicContact CD2-CD1 4.47Å; F359-Y382 HydrophobicContact CE2-CD1 4.18Å; F359-H384 AromaticContact CE1-NE2 3.96Å; F359-H384 AromaticContact CZ-NE2 3.87Å; F359-F387 HydrophobicContact CB-CD1 4.16Å; F359-F387 HydrophobicContact CB-CE1 3.84Å; F359-F387 HydrophobicContact CD2-CD1 4.42Å; F359-F387 HydrophobicContact CD2-CE1 4.12Å; F359-F387 HydrophobicContact CD2-CE2 4.46Å; F359-F387 HydrophobicContact CD2-CZ 4.14Å; F359-F387 HydrophobicContact CG-CE1 4.48Å
360V86.6Confident78.3Confident1 Ų182.2 Ų82.21%0.00642%0.422CS..EExtended strand (participates in β ladder)trans-129.2128.1-177.9-1740000108.5D364 L365 G385 Y386 I388 Y393V360-D364 HydrophobicContact CG1-CB 3.44Å; V360-D364 VanDerWaalsContact CG1-CB 3.44Å; V360-L365 HydrophobicContact CB-CG 4.46Å; V360-L365 HydrophobicContact CG1-CB 4.47Å; V360-L365 HydrophobicContact CG1-CD2 4.28Å; V360-L365 HydrophobicContact CG1-CG 3.79Å; V360-G385 WeakPolarHBondContact O-CA 3.5Å; V360-Y386 PolarHBondContact N-O 2.77Å; V360-Y386 PolarHBondContact O-N 2.95Å; V360-I388 HydrophobicContact CB-CD1 3.92Å; V360-I388 HydrophobicContact CB-CG1 4.34Å; V360-I388 HydrophobicContact CG1-CD1 4.17Å; V360-I388 HydrophobicContact CG2-CB 4.34Å; V360-I388 HydrophobicContact CG2-CD1 3.61Å; V360-I388 HydrophobicContact CG2-CG1 3.93Å; V360-Y393 HydrophobicContact CG2-CD2 3.65Å; V360-Y393 HydrophobicContact CG2-CE2 3.82Å
361T89.5Confident79.3Confident39 Ų3978 Ų7824%0.23941%0.408CS..EExtended strand (participates in β ladder)trans-76.3162.617666.20000110.9F359 R363 D364 L365F359-T361 HydrophobicContact CE1-CG2 4.2Å; T361-R363 PolarHBondContact O-N 2.85Å; T361-D364 PolarHBondContact N-OD2 2.86Å; T361-D364 PolarHBondContact O-N 2.91Å; T361-D364 PolarHBondContact OG1-N 2.92Å; T361-D364 PolarHBondContact OG1-OD2 2.91Å; T361-L365 PolarHBondContact O-N 2.88Å
362V86.8Confident80.6Confident65 Ų6582.1 Ų82.139%0.39442%0.422SS..Hα-helixtrans-53.8-41.6175.3-172.10000111.1D364 L365 D366 Y386V362-D364 PolarHBondContact O-N 2.84Å; V362-L365 WeakPolarHBondContact O-CB 3.45Å; V362-L365 PolarHBondContact O-N 3.26Å; V362-D366 VanDerWaalsContact O-CG 3.3Å; V362-D366 PolarHBondContact O-N 3.29Å; V362-Y386 HydrophobicContact CG2-CE2 4.15Å
363R88.1Confident81.7Confident207 Ų20777.5 Ų77.578%0.78140%0.401SS*.Hα-helixtrans-62.6-40.3177.4-61.4-180-177.3169.80.6112.6T361 D366 M367T361-R363 PolarHBondContact O-N 2.85Å; R363-D366 PolarHBondContact O-N 3.15Å; R363-M367 VanDerWaalsContact O-CG 3.28Å; R363-M367 WeakPolarHBondContact O-CG 3.42Å; R363-M367 PolarHBondContact O-N 2.91Å; R363-M367 VanDerWaalsContact O-N 3.1Å
364D85.6Confident82.9Confident75 Ų7576.7 Ų76.740%0.40139%0.393SS..Hα-helixtrans-72-33.4178.8-63.9-42.7000111.9V360 T361 V362 M367 L368V360-D364 HydrophobicContact CG1-CB 3.44Å; V360-D364 VanDerWaalsContact CG1-CB 3.44Å; T361-D364 PolarHBondContact N-OD2 2.86Å; T361-D364 PolarHBondContact O-N 2.91Å; T361-D364 PolarHBondContact OG1-N 2.92Å; T361-D364 PolarHBondContact OG1-OD2 2.91Å; V362-D364 PolarHBondContact O-N 2.84Å; D364-M367 PolarHBondContact O-N 2.88Å; D364-L368 WeakPolarHBondContact O-CB 3.26Å; D364-L368 VanDerWaalsContact O-CG 3.26Å; D364-L368 WeakPolarHBondContact O-CG 3.28Å; D364-L368 PolarHBondContact O-N 3.23Å; D364-L368 VanDerWaalsContact O-N 3.09Å
365L86.7Confident83.9Confident0 Ų076.7 Ų76.70%042%0.416CS..Hα-helixtrans-63.7-42.2172.6-86.7171.5000111.6V360 T361 V362 L368 G369 L370 L379 Y386 I388V360-L365 HydrophobicContact CB-CG 4.46Å; V360-L365 HydrophobicContact CG1-CB 4.47Å; V360-L365 HydrophobicContact CG1-CD2 4.28Å; V360-L365 HydrophobicContact CG1-CG 3.79Å; T361-L365 PolarHBondContact O-N 2.88Å; V362-L365 WeakPolarHBondContact O-CB 3.45Å; V362-L365 PolarHBondContact O-N 3.26Å; L365-L368 PolarHBondContact O-N 3.09Å; L365-G369 PolarHBondContact O-N 3.26Å; L365-G369 VanDerWaalsContact O-N 3.14Å; L365-L370 HydrophobicContact CD2-CB 3.58Å; L365-L370 HydrophobicContact CD2-CD1 4.3Å; L365-L370 PolarHBondContact O-N 3.31Å; L365-L379 HydrophobicContact CD1-CD1 3.85Å; L365-L379 HydrophobicContact CD2-CD1 3.97Å; L365-L379 HydrophobicContact CD2-CD2 4.12Å; L365-Y386 HydrophobicContact CD1-CD2 3.16Å; L365-Y386 HydrophobicContact CD1-CE2 3.74Å; L365-Y386 HydrophobicContact CD1-CG 3.79Å; L365-I388 HydrophobicContact CD2-CD1 3.46Å; L365-I388 VanDerWaalsContact CD2-CD1 3.46Å; L365-I388 HydrophobicContact CG-CD1 4.41Å
366D86.5Confident84.7Confident92 Ų9272.9 Ų72.949%0.49240%0.398SS..Hα-helixtrans-64-43.5177.2-66.8-25.3000111.1V362 R363 L368 G369V362-D366 VanDerWaalsContact O-CG 3.3Å; V362-D366 PolarHBondContact O-N 3.29Å; R363-D366 PolarHBondContact O-N 3.15Å; D366-L368 PolarHBondContact O-N 2.95Å; D366-G369 PolarHBondContact O-N 3.35Å; D366-G369 VanDerWaalsContact O-N 3.12Å
367M84Confident84.9Confident146 Ų14673.8 Ų73.872%0.71941%0.412SS*.Hα-helixtrans-62.9-29.9175.3-72-66.4-63.400113.3R363 D364R363-M367 VanDerWaalsContact O-CG 3.28Å; R363-M367 WeakPolarHBondContact O-CG 3.42Å; R363-M367 PolarHBondContact O-N 2.91Å; R363-M367 VanDerWaalsContact O-N 3.1Å; D364-M367 PolarHBondContact O-N 2.88Å
368L83.3Confident84.8Confident23 Ų2373 Ų7312%0.1241%0.414CS..THydrogen-bonded Turntrans-87.8-4.1178.1-69.5169.8000113.4D364 L365 D366 L370 Y393 A396 K397 V400D364-L368 WeakPolarHBondContact O-CB 3.26Å; D364-L368 VanDerWaalsContact O-CG 3.26Å; D364-L368 WeakPolarHBondContact O-CG 3.28Å; D364-L368 PolarHBondContact O-N 3.23Å; D364-L368 VanDerWaalsContact O-N 3.09Å; L365-L368 PolarHBondContact O-N 3.09Å; D366-L368 PolarHBondContact O-N 2.95Å; L368-L370 VanDerWaalsContact C-N 3.3Å; L368-L370 HydrophobicContact CB-CD1 4.09Å; L368-L370 HydrophobicContact CB-CG 4.06Å; L368-L370 PolarHBondContact O-N 3Å; L368-Y393 HydrophobicContact CD1-CD2 3.84Å; L368-Y393 HydrophobicContact CD1-CE2 3.5Å; L368-Y393 VanDerWaalsContact CD1-CE2 3.5Å; L368-A396 HydrophobicContact CD2-CB 4.46Å; L368-K397 HydrophobicContact CD2-CB 4.34Å; L368-V400 HydrophobicContact CD2-CG2 4.37Å
369G83.5Confident84.9Confident53 Ų5369.7 Ų69.755%0.54640%0.4SS..THydrogen-bonded Turntrans68.824.7-176.200000114L365 D366L365-G369 PolarHBondContact O-N 3.26Å; L365-G369 VanDerWaalsContact O-N 3.14Å; D366-G369 PolarHBondContact O-N 3.35Å; D366-G369 VanDerWaalsContact O-N 3.12Å
370L83.2Confident84.6Confident26 Ų2674.7 Ų74.714%0.13642%0.417CS..  trans-104.913.3-175.2-63.8179.1000113.5L365 L368 N372 L373 I388 L392 A396L365-L370 HydrophobicContact CD2-CB 3.58Å; L365-L370 HydrophobicContact CD2-CD1 4.3Å; L365-L370 PolarHBondContact O-N 3.31Å; L368-L370 VanDerWaalsContact C-N 3.3Å; L368-L370 HydrophobicContact CB-CD1 4.09Å; L368-L370 HydrophobicContact CB-CG 4.06Å; L368-L370 PolarHBondContact O-N 3Å; L370-N372 PolarHBondContact O-N 3.21Å; L370-L373 HydrophobicContact CB-CD1 4.3Å; L370-L373 HydrophobicContact CD2-CD1 3.81Å; L370-L373 HydrophobicContact CG-CD1 4.49Å; L370-L373 WeakPolarHBondContact O-CB 3.3Å; L370-L373 PolarHBondContact O-N 3.28Å; L370-I388 HydrophobicContact CD1-CD1 4.13Å; L370-L392 HydrophobicContact CD1-CD2 4.05Å; L370-A396 HydrophobicContact CD1-CB 3.77Å; L370-A396 HydrophobicContact CD2-CB 4.34Å; L370-A396 HydrophobicContact CG-CB 4.29Å
371S83.2Confident84.5Confident48 Ų4878.2 Ų78.234%0.33645%0.446SS..G310 helixtrans-58.4-30.8178.453.90000113L373 I374S371-L373 PolarHBondContact O-N 2.7Å; S371-L373 VanDerWaalsContact O-N 3.15Å; S371-I374 WeakPolarHBondContact O-CB 3.45Å; S371-I374 WeakPolarHBondContact O-CD1 3.45Å; S371-I374 VanDerWaalsContact O-CG1 3.24Å; S371-I374 WeakPolarHBondContact O-CG1 3.28Å; S371-I374 PolarHBondContact O-N 2.78Å
372N84.8Confident84.3Confident145 Ų14581.8 Ų81.878%0.77546%0.456SS*.G310 helixtrans-65.2-15.2177-61.7-17.6000114.2L370 I374L370-N372 PolarHBondContact O-N 3.21Å; N372-I374 VanDerWaalsContact C-N 3.34Å
373L83.2Confident84.1Confident39 Ų3986.1 Ų86.120%0.20447%0.474CS..G310 helixtrans-87.8-3.5179.3-63.8178.2000113L370 S371 G375 T376 L378 L379 L392L370-L373 HydrophobicContact CB-CD1 4.3Å; L370-L373 HydrophobicContact CD2-CD1 3.81Å; L370-L373 HydrophobicContact CG-CD1 4.49Å; L370-L373 WeakPolarHBondContact O-CB 3.3Å; L370-L373 PolarHBondContact O-N 3.28Å; S371-L373 PolarHBondContact O-N 2.7Å; S371-L373 VanDerWaalsContact O-N 3.15Å; L373-G375 PolarHBondContact O-N 2.81Å; L373-T376 PolarHBondContact O-N 2.79Å; L373-T376 PolarHBondContact O-OG1 3.14Å; L373-L378 HydrophobicContact CD2-CD1 4.2Å; L373-L379 HydrophobicContact CB-CD1 3.76Å; L373-L379 HydrophobicContact CB-CD2 4.5Å; L373-L379 HydrophobicContact CB-CG 3.81Å; L373-L392 HydrophobicContact CD1-CD2 4.47Å
374I85.2Confident83.9Confident76 Ų7682.3 Ų82.339%0.3947%0.465SS..THydrogen-bonded Turntrans-63.9120.2176-62.6168.3000108.6S371 N372 L379 Y386S371-I374 WeakPolarHBondContact O-CB 3.45Å; S371-I374 WeakPolarHBondContact O-CD1 3.45Å; S371-I374 VanDerWaalsContact O-CG1 3.24Å; S371-I374 WeakPolarHBondContact O-CG1 3.28Å; S371-I374 PolarHBondContact O-N 2.78Å; N372-I374 VanDerWaalsContact C-N 3.34Å; I374-L379 HydrophobicContact CG1-CD1 4Å; I374-Y386 HydrophobicContact CD1-CE2 4.46Å; I374-Y386 HydrophobicContact CG1-CE2 4.3Å; I374-Y386 HydrophobicContact CG2-CE1 4.24Å; I374-Y386 WeakPolarHBondContact CG2-OH 3.34Å
375G80.5Confident84Confident81 Ų8179 Ų7984%0.83545%0.448SS*.THydrogen-bonded Turntrans97.6-8.2-175.800000114.7L373L373-G375 PolarHBondContact O-N 2.81Å
376T85.3Confident84.1Confident57 Ų5781.1 Ų81.135%0.3546%0.456SS..SBendtrans-86.8156.6170.968.10000111.4L373 L378 L379L373-T376 PolarHBondContact O-N 2.79Å; L373-T376 PolarHBondContact O-OG1 3.14Å; T376-L378 PolarHBondContact O-N 3.21Å; T376-L379 PolarHBondContact O-N 2.96Å
377S82.3Confident84.2Confident126 Ų12678 Ų7888%0.88144%0.438SS*.THydrogen-bonded Turntrans-62.9-9.617855.30000114.6
378L81.4Confident84.4Confident80 Ų8071 Ų7142%0.41940%0.404SS..THydrogen-bonded Turntrans-79.2-22.1178.7-62.7175.6000113.3L373 T376 L392L373-L378 HydrophobicContact CD2-CD1 4.2Å; T376-L378 PolarHBondContact O-N 3.21Å; L378-L392 HydrophobicContact CD1-CD1 4.34Å
379L85.2Confident84.6Confident13 Ų1373 Ų737%0.06841%0.414CS..SBendtrans-111.3114.7174.9-63.8-167000109.4L365 L373 I374 T376 Y386 I388L365-L379 HydrophobicContact CD1-CD1 3.85Å; L365-L379 HydrophobicContact CD2-CD1 3.97Å; L365-L379 HydrophobicContact CD2-CD2 4.12Å; L373-L379 HydrophobicContact CB-CD1 3.76Å; L373-L379 HydrophobicContact CB-CD2 4.5Å; L373-L379 HydrophobicContact CB-CG 3.81Å; I374-L379 HydrophobicContact CG1-CD1 4Å; T376-L379 PolarHBondContact O-N 2.96Å; L379-Y386 HydrophobicContact CB-CD1 3.88Å; L379-Y386 HydrophobicContact CB-CG 4.31Å; L379-Y386 HydrophobicContact CD1-CD1 4.31Å; L379-Y386 HydrophobicContact CD1-CG 4.27Å; L379-I388 HydrophobicContact CD2-CB 4.45Å; L379-I388 HydrophobicContact CD2-CD1 3.66Å; L379-I388 HydrophobicContact CD2-CG1 3.33Å
380R82.4Confident84.7Confident177 Ų17772 Ų7267%0.66840%0.401SS*.EExtended strand (participates in β ladder)trans-94.8112.5173.8-166.3167.9-174.9125.9-1.7109.8Y382 Y386 F387R380-Y382 PolarHBondContact O-N 3.46Å; R380-Y386 CarbonylContact O-C 3.57Å; R380-Y386 WeakPolarHBondContact O-CA 3.35Å; R380-F387 HydrophobicContact CB-CB 4.28Å; R380-F387 PolarHBondContact N-O 2.82Å; R380-F387 VanDerWaalsContact N-O 3.08Å; R380-F387 PolarHBondContact O-N 2.88Å
381A85Confident84.8Confident74 Ų7480.1 Ų80.161%0.61243%0.43SS*.EExtended strand (participates in β ladder)trans-61.8131.7178.200000110.7Y386A381-Y386 HydrophobicContact CB-CD1 4.16Å; A381-Y386 HydrophobicContact CB-CE1 4.09Å
382Y84.3Confident84.9Confident114 Ų11480.1 Ų80.145%0.44743%0.426SS..EExtended strand (participates in β ladder)trans-146.3119.7175.4-172.5-107.5000110.8F359 R380 H384 G385 F387F359-Y382 HydrophobicContact CD2-CD1 4.47Å; F359-Y382 HydrophobicContact CE2-CD1 4.18Å; R380-Y382 PolarHBondContact O-N 3.46Å; Y382-H384 PolarHBondContact O-N 2.85Å; Y382-G385 PolarHBondContact N-O 2.79Å; Y382-G385 PolarHBondContact O-N 2.83Å; Y382-F387 VanDerWaalsContact CB-CE2 3.42Å; Y382-F387 HydrophobicContact CD1-CD2 4.41Å; Y382-F387 AromaticContact CD1-CE2 3.44Å; Y382-F387 HydrophobicContact CD1-CE2 3.44Å; Y382-F387 VanDerWaalsContact CD1-CE2 3.44Å; Y382-F387 AromaticContact CD1-CZ 3.89Å; Y382-F387 HydrophobicContact CD1-CZ 3.89Å; Y382-F387 HydrophobicContact CD2-CE2 4.01Å; Y382-F387 HydrophobicContact CE1-CE2 4.14Å; Y382-F387 HydrophobicContact CE1-CZ 4.33Å; Y382-F387 HydrophobicContact CG-CD2 4.02Å; Y382-F387 AromaticContact CG-CE2 3.35Å; Y382-F387 HydrophobicContact CG-CE2 3.35Å; Y382-F387 HydrophobicContact CG-CZ 4.26Å
383M82.7Confident85Confident157 Ų15774.6 Ų74.677%0.77340%0.395SS*.THydrogen-bonded Turntrans49.9-94.2-174.3-62.8-160.5-80.200113.7
384H84.6Confident85.1Confident127 Ų12776.9 Ų76.959%0.58841%0.407SS*.THydrogen-bonded Turntrans-123.416-175.662.1-83000112.9F359 Y382F359-H384 AromaticContact CE1-NE2 3.96Å; F359-H384 AromaticContact CZ-NE2 3.87Å; Y382-H384 PolarHBondContact O-N 2.85Å
385G86.3Confident85.1Confident4 Ų480.4 Ų80.44%0.04142%0.42CS..EExtended strand (participates in β ladder)trans-150.2-163.8179.500000111.7V360 Y382V360-G385 WeakPolarHBondContact O-CA 3.5Å; Y382-G385 PolarHBondContact N-O 2.79Å; Y382-G385 PolarHBondContact O-N 2.83Å
386Y90Very high85.3Confident45 Ų4577.1 Ų77.118%0.17638%0.384CS..EExtended strand (participates in β ladder)trans-133.2142.7-177.8-58.4-92.1000110.3V360 V362 L365 I374 L379 R380 A381V360-Y386 PolarHBondContact N-O 2.77Å; V360-Y386 PolarHBondContact O-N 2.95Å; V362-Y386 HydrophobicContact CG2-CE2 4.15Å; L365-Y386 HydrophobicContact CD1-CD2 3.16Å; L365-Y386 HydrophobicContact CD1-CE2 3.74Å; L365-Y386 HydrophobicContact CD1-CG 3.79Å; I374-Y386 HydrophobicContact CD1-CE2 4.46Å; I374-Y386 HydrophobicContact CG1-CE2 4.3Å; I374-Y386 HydrophobicContact CG2-CE1 4.24Å; I374-Y386 WeakPolarHBondContact CG2-OH 3.34Å; L379-Y386 HydrophobicContact CB-CD1 3.88Å; L379-Y386 HydrophobicContact CB-CG 4.31Å; L379-Y386 HydrophobicContact CD1-CD1 4.31Å; L379-Y386 HydrophobicContact CD1-CG 4.27Å; R380-Y386 CarbonylContact O-C 3.57Å; R380-Y386 WeakPolarHBondContact O-CA 3.35Å; A381-Y386 HydrophobicContact CB-CD1 4.16Å; A381-Y386 HydrophobicContact CB-CE1 4.09Å
387F88.7Confident85.2Confident26 Ų2679.3 Ų79.311%0.11439%0.389CS..EExtended strand (participates in β ladder)trans-87.6130.2166.6-76.8-69.4000110.2F354 Y357 F359 R380 Y382F354-F387 HydrophobicContact CD1-CD1 4.4Å; F354-F387 HydrophobicContact CD1-CD2 4.23Å; F354-F387 HydrophobicContact CD1-CE1 4.28Å; F354-F387 HydrophobicContact CD1-CE2 4.07Å; F354-F387 HydrophobicContact CD1-CG 4.38Å; F354-F387 HydrophobicContact CD1-CZ 4.12Å; F354-F387 AromaticContact CE1-CD2 3.91Å; F354-F387 HydrophobicContact CE1-CD2 3.91Å; F354-F387 AromaticContact CE1-CE2 3.83Å; F354-F387 HydrophobicContact CE1-CE2 3.83Å; F354-F387 HydrophobicContact CE1-CG 4.43Å; F354-F387 HydrophobicContact CE1-CZ 4.31Å; Y357-F387 HydrophobicContact CD1-CB 3.99Å; Y357-F387 HydrophobicContact CG-CB 4.3Å; F359-F387 HydrophobicContact CB-CD1 4.16Å; F359-F387 HydrophobicContact CB-CE1 3.84Å; F359-F387 HydrophobicContact CD2-CD1 4.42Å; F359-F387 HydrophobicContact CD2-CE1 4.12Å; F359-F387 HydrophobicContact CD2-CE2 4.46Å; F359-F387 HydrophobicContact CD2-CZ 4.14Å; F359-F387 HydrophobicContact CG-CE1 4.48Å; R380-F387 HydrophobicContact CB-CB 4.28Å; R380-F387 PolarHBondContact N-O 2.82Å; R380-F387 VanDerWaalsContact N-O 3.08Å; R380-F387 PolarHBondContact O-N 2.88Å; Y382-F387 VanDerWaalsContact CB-CE2 3.42Å; Y382-F387 HydrophobicContact CD1-CD2 4.41Å; Y382-F387 AromaticContact CD1-CE2 3.44Å; Y382-F387 HydrophobicContact CD1-CE2 3.44Å; Y382-F387 VanDerWaalsContact CD1-CE2 3.44Å; Y382-F387 AromaticContact CD1-CZ 3.89Å; Y382-F387 HydrophobicContact CD1-CZ 3.89Å; Y382-F387 HydrophobicContact CD2-CE2 4.01Å; Y382-F387 HydrophobicContact CE1-CE2 4.14Å; Y382-F387 HydrophobicContact CE1-CZ 4.33Å; Y382-F387 HydrophobicContact CG-CD2 4.02Å; Y382-F387 AromaticContact CG-CE2 3.35Å; Y382-F387 HydrophobicContact CG-CE2 3.35Å; Y382-F387 HydrophobicContact CG-CZ 4.26Å
388I88.3Confident85.2Confident0 Ų079.9 Ų79.90%038%0.378CS..EExtended strand (participates in β ladder)trans-122139.7177-55.6-175.8000108.8Y357 K358 V360 L365 L370 L379 A390 L392Y357-I388 CarbonylContact C-O 3.17Å; Y357-I388 WeakPolarHBondContact CA-O 3.39Å; K358-I388 PolarHBondContact N-O 2.86Å; K358-I388 PolarHBondContact O-N 2.93Å; V360-I388 HydrophobicContact CB-CD1 3.92Å; V360-I388 HydrophobicContact CB-CG1 4.34Å; V360-I388 HydrophobicContact CG1-CD1 4.17Å; V360-I388 HydrophobicContact CG2-CB 4.34Å; V360-I388 HydrophobicContact CG2-CD1 3.61Å; V360-I388 HydrophobicContact CG2-CG1 3.93Å; L365-I388 HydrophobicContact CD2-CD1 3.46Å; L365-I388 VanDerWaalsContact CD2-CD1 3.46Å; L365-I388 HydrophobicContact CG-CD1 4.41Å; L370-I388 HydrophobicContact CD1-CD1 4.13Å; L379-I388 HydrophobicContact CD2-CB 4.45Å; L379-I388 HydrophobicContact CD2-CD1 3.66Å; L379-I388 HydrophobicContact CD2-CG1 3.33Å; I388-A390 PolarHBondContact O-N 2.98Å; I388-L392 HydrophobicContact CG2-CB 4.01Å; I388-L392 HydrophobicContact CG2-CD2 3.74Å; I388-L392 HydrophobicContact CG2-CG 4.4Å
389D87.5Confident85.3Confident64 Ų6479.8 Ų79.834%0.34239%0.389SS..EExtended strand (participates in β ladder)trans-52.5130.2169.2-78.8-10.3000111.1Y357 R391 L392 Y393Y357-D389 WeakPolarHBondContact CE1-OD1 3.41Å; Y357-D389 PolarHBondContact OH-OD1 2.79Å; D389-R391 PolarHBondContact O-N 3.05Å; D389-L392 HydrophobicContact CB-CB 4.26Å; D389-L392 PolarHBondContact O-N 2.91Å; D389-Y393 PolarHBondContact O-N 2.9Å
390A84.9Confident85Confident33 Ų3382.4 Ų82.427%0.27341%0.405SS..Hα-helixtrans-55.2-31.8-178.900000112.2D356 I388 N394D356-A390 VanDerWaalsContact O-CB 3.27Å; D356-A390 WeakPolarHBondContact O-CB 3.2Å; D356-A390 PolarHBondContact O-N 2.88Å; I388-A390 PolarHBondContact O-N 2.98Å; A390-N394 WeakPolarHBondContact O-CB 3.5Å; A390-N394 PolarHBondContact O-N 3.26Å; A390-N394 PolarHBondContact O-ND2 3.42Å; A390-N394 VanDerWaalsContact O-ND2 3.1Å
391R85.6Confident84.6Confident197 Ų19777.8 Ų77.874%0.74339%0.393SS*.Hα-helixtrans-65.6-44.1175-62-178.2-174.7-179.84112.2D389 K395D389-R391 PolarHBondContact O-N 3.05Å; R391-K395 WeakPolarHBondContact O-CG 3.43Å; R391-K395 PolarHBondContact O-N 3.17Å; R391-K395 VanDerWaalsContact O-N 3.14Å
392L85.5Confident83.9Confident47 Ų4778.3 Ų78.325%0.24639%0.39CS..Hα-helixtrans-71-42.7179.4-165.9153.1000110.2L370 L373 L378 I388 D389 N394 K395 A396L370-L392 HydrophobicContact CD1-CD2 4.05Å; L373-L392 HydrophobicContact CD1-CD2 4.47Å; L378-L392 HydrophobicContact CD1-CD1 4.34Å; I388-L392 HydrophobicContact CG2-CB 4.01Å; I388-L392 HydrophobicContact CG2-CD2 3.74Å; I388-L392 HydrophobicContact CG2-CG 4.4Å; D389-L392 HydrophobicContact CB-CB 4.26Å; D389-L392 PolarHBondContact O-N 2.91Å; L392-N394 VanDerWaalsContact C-N 3.34Å; L392-N394 PolarHBondContact O-N 2.86Å; L392-K395 PolarHBondContact O-N 3.46Å; L392-A396 PolarHBondContact O-N 3.38Å
393Y86.6Confident82.8Confident30 Ų3079.9 Ų79.912%0.11840%0.4CS..Hα-helixtrans-56.8-45.4174179-89.7000112.3K358 V360 L368 D389 A396 K397K358-Y393 HydrophobicContact CB-CG 4.46Å; K358-Y393 HydrophobicContact CD-CD1 3.43Å; K358-Y393 VanDerWaalsContact CD-CD1 3.43Å; K358-Y393 HydrophobicContact CD-CD2 3.87Å; K358-Y393 HydrophobicContact CD-CE1 3.46Å; K358-Y393 VanDerWaalsContact CD-CE1 3.46Å; K358-Y393 HydrophobicContact CD-CE2 3.84Å; K358-Y393 HydrophobicContact CD-CG 3.65Å; K358-Y393 PolarHBondContact NZ-OH 2.94Å; V360-Y393 HydrophobicContact CG2-CD2 3.65Å; V360-Y393 HydrophobicContact CG2-CE2 3.82Å; L368-Y393 HydrophobicContact CD1-CD2 3.84Å; L368-Y393 HydrophobicContact CD1-CE2 3.5Å; L368-Y393 VanDerWaalsContact CD1-CE2 3.5Å; D389-Y393 PolarHBondContact O-N 2.9Å; Y393-A396 PolarHBondContact O-N 3.45Å; Y393-K397 HydrophobicContact CE1-CD 4.09Å; Y393-K397 WeakPolarHBondContact O-CB 2.91Å; Y393-K397 PolarHBondContact O-N 2.91Å
394N84.7Confident81.7Confident86 Ų8674.8 Ų74.846%0.4638%0.382SS..Hα-helixtrans-66.3-41.7179.6-71.4-23.5000112A390 L392 K397 E398A390-N394 WeakPolarHBondContact O-CB 3.5Å; A390-N394 PolarHBondContact O-N 3.26Å; A390-N394 PolarHBondContact O-ND2 3.42Å; A390-N394 VanDerWaalsContact O-ND2 3.1Å; L392-N394 VanDerWaalsContact C-N 3.34Å; L392-N394 PolarHBondContact O-N 2.86Å; N394-K397 PolarHBondContact O-N 3.28Å; N394-E398 WeakPolarHBondContact O-CG 3.47Å; N394-E398 PolarHBondContact O-N 2.87Å
395K85Confident80.3Confident151 Ų15177.4 Ų77.466%0.65739%0.388SS*.Hα-helixtrans-60.9-45174.7-76.1-180178.3-176.20112.4R391 L392 K397 E398 A399R391-K395 WeakPolarHBondContact O-CG 3.43Å; R391-K395 PolarHBondContact O-N 3.17Å; R391-K395 VanDerWaalsContact O-N 3.14Å; L392-K395 PolarHBondContact O-N 3.46Å; K395-K397 VanDerWaalsContact C-N 3.32Å; K395-K397 PolarHBondContact O-N 2.73Å; K395-E398 PolarHBondContact O-N 3.07Å; K395-A399 PolarHBondContact O-N 3.14Å
396A84.5Confident78.8Confident11 Ų1182.2 Ų82.29%0.09141%0.413CS..Hα-helixtrans-63.2-41.3177.200000111.4L368 L370 L392 Y393 E398 A399 V400L368-A396 HydrophobicContact CD2-CB 4.46Å; L370-A396 HydrophobicContact CD1-CB 3.77Å; L370-A396 HydrophobicContact CD2-CB 4.34Å; L370-A396 HydrophobicContact CG-CB 4.29Å; L392-A396 PolarHBondContact O-N 3.38Å; Y393-A396 PolarHBondContact O-N 3.45Å; A396-E398 VanDerWaalsContact C-N 3.34Å; A396-E398 PolarHBondContact O-N 2.85Å; A396-A399 PolarHBondContact O-N 2.93Å; A396-V400 WeakPolarHBondContact O-CG2 3.15Å; A396-V400 PolarHBondContact O-N 3.22Å; A396-V400 VanDerWaalsContact O-N 3.08Å
397K84.7Confident76.9Confident103 Ų10385.9 Ų85.945%0.44843%0.432SS..Hα-helixtrans-64-37.2177.7-172.9175.4-180175.90113.2L368 Y393 N394 K395 N401L368-K397 HydrophobicContact CD2-CB 4.34Å; Y393-K397 HydrophobicContact CE1-CD 4.09Å; Y393-K397 WeakPolarHBondContact O-CB 2.91Å; Y393-K397 PolarHBondContact O-N 2.91Å; N394-K397 PolarHBondContact O-N 3.28Å; K395-K397 VanDerWaalsContact C-N 3.32Å; K395-K397 PolarHBondContact O-N 2.73Å; K397-N401 PolarHBondContact O-N 3.28Å; K397-N401 PolarHBondContact O-ND2 2.82Å
398E81.9Confident75.1Confident139 Ų13992.5 Ų92.565%0.6546%0.461SS*.Hα-helixtrans-69-41.7175.1-74.6171.9-177.300111.6N394 K395 A396 V400 N401N394-E398 WeakPolarHBondContact O-CG 3.47Å; N394-E398 PolarHBondContact O-N 2.87Å; K395-E398 PolarHBondContact O-N 3.07Å; A396-E398 VanDerWaalsContact C-N 3.34Å; A396-E398 PolarHBondContact O-N 2.85Å; E398-V400 VanDerWaalsContact C-N 3.34Å; E398-V400 PolarHBondContact O-N 3.49Å; E398-N401 CarbonylContact O-C 3.38Å; E398-N401 PolarHBondContact O-N 2.57Å
399A82.4Confident73.4Confident78 Ų7897.3 Ų97.365%0.64549%0.49SS*.Hα-helixtrans-63.5-37.217800000113.1K395 A396K395-A399 PolarHBondContact O-N 3.14Å; A396-A399 PolarHBondContact O-N 2.93Å
400V80Confident71.5Confident68 Ų6897.3 Ų97.341%0.41251%0.505SS..Hα-helixtrans-74.7-28178.5174.20000112.3L368 A396 E398 P402L368-V400 HydrophobicContact CD2-CG2 4.37Å; A396-V400 WeakPolarHBondContact O-CG2 3.15Å; A396-V400 PolarHBondContact O-N 3.22Å; A396-V400 VanDerWaalsContact O-N 3.08Å; E398-V400 VanDerWaalsContact C-N 3.34Å; E398-V400 PolarHBondContact O-N 3.49Å; V400-P402 VanDerWaalsContact O-CD 3.3Å; V400-P402 WeakPolarHBondContact O-CD 3.4Å
401N73.7Confident69.8Low80 Ų80105.4 Ų105.443%0.42853%0.529SS..  trans-121.866.1-177.1-59.5-70000112.8K397 E398 F403 A404K397-N401 PolarHBondContact O-N 3.28Å; K397-N401 PolarHBondContact O-ND2 2.82Å; E398-N401 CarbonylContact O-C 3.38Å; E398-N401 PolarHBondContact O-N 2.57Å; N401-F403 PolarHBondContact O-N 2.96Å; N401-A404 HydrophobicContact CB-CB 3.93Å; N401-A404 PolarHBondContact O-N 2.84Å
402P69.3Low68.2Low84 Ų84104 Ų10455%0.54552%0.524SS..THydrogen-bonded Turntrans-63.2-27.6-178.923.3-31.8000113.2V400V400-P402 VanDerWaalsContact O-CD 3.3Å; V400-P402 WeakPolarHBondContact O-CD 3.4Å
403F62.1Low66.8Low148 Ų148111.6 Ų111.665%0.64956%0.555SS**THydrogen-bonded Turntrans-91.7-7.1-176.9-64.5-73.7000115.1N401 Y405 D406 E407N401-F403 PolarHBondContact O-N 2.96Å; F403-Y405 PolarHBondContact O-N 3.46Å; F403-D406 PolarHBondContact O-N 2.83Å; F403-E407 PolarHBondContact O-N 2.8Å; F403-E407 VanDerWaalsContact O-N 3.09Å
404A59.8Low65.6Low49 Ų49113 Ų11341%0.40556%0.564SS.*Hα-helixtrans-69.3-19.3-177.300000113.2N401N401-A404 HydrophobicContact CB-CB 3.93Å; N401-A404 PolarHBondContact O-N 2.84Å
405Y54.3Low64.6Low182 Ų182110.6 Ų110.671%0.71455%0.553SS**Hα-helixtrans-75.3-44.7173.6-164.8-98.8000111.1F403 K408 V409F403-Y405 PolarHBondContact O-N 3.46Å; Y405-K408 PolarHBondContact O-N 2.84Å; Y405-V409 HydrophobicContact CD1-CG2 4.47Å; Y405-V409 HydrophobicContact CE1-CG2 4.29Å; Y405-V409 WeakPolarHBondContact O-CG2 3.26Å; Y405-V409 PolarHBondContact O-N 3.23Å
406D54.7Low63.7Low105 Ų105107.8 Ų107.856%0.56156%0.558SS**Hα-helixtrans-70.7-36.4-179-70.1-18000112.5F403 K408 V409 G410F403-D406 PolarHBondContact O-N 2.83Å; D406-K408 VanDerWaalsContact C-N 3.31Å; D406-K408 PolarHBondContact O-N 3.13Å; D406-V409 PolarHBondContact O-N 3.33Å; D406-G410 PolarHBondContact O-N 3.44Å
407E51.6Low62.6Low122 Ų122108.3 Ų108.357%0.5756%0.56SS**Hα-helixtrans-65.7-33.1174.3-77.8-161.2139.600113.2F403 V409F403-E407 PolarHBondContact O-N 2.8Å; F403-E407 VanDerWaalsContact O-N 3.09Å; E407-V409 VanDerWaalsContact C-N 3.33Å
408K50.2Low61.8Low166 Ų166104.4 Ų104.472%0.72254%0.544SS*.Hα-helixtrans-73.2-27.5177.3-111178.8179.4172.90112.8Y405 D406Y405-K408 PolarHBondContact O-N 2.84Å; D406-K408 VanDerWaalsContact C-N 3.31Å; D406-K408 PolarHBondContact O-N 3.13Å
409V52.6Low61.4Low100 Ų100103.6 Ų103.661%0.60654%0.538SS*.Hα-helixtrans-86.4-35.8178.5177.90000110.8Y405 D406 E407Y405-V409 HydrophobicContact CD1-CG2 4.47Å; Y405-V409 HydrophobicContact CE1-CG2 4.29Å; Y405-V409 WeakPolarHBondContact O-CG2 3.26Å; Y405-V409 PolarHBondContact O-N 3.23Å; D406-V409 PolarHBondContact O-N 3.33Å; E407-V409 VanDerWaalsContact C-N 3.33Å
410G48.2Very low60.7Low65 Ų65106.1 Ų106.167%0.6754%0.536SS*.Hα-helixtrans-79.7-13.7-176.100000117.1D406D406-G410 PolarHBondContact O-N 3.44Å
411R48.6Very low60.3Low203 Ų203105.8 Ų105.877%0.76653%0.532SS*.THydrogen-bonded Turntrans-95.94.9-172.9-84.1-173.8168.5-174.10.2116.7K413R411-K413 PolarHBondContact O-N 2.94Å
412R51.6Low60Low168 Ų168102 Ų10263%0.63451%0.512SS*.  trans-94.283.7179.8-64.1-177.5-178.8-172.8-2.7110.6L414R412-L414 PolarHBondContact O-N 2.79Å
413K56.7Low60.2Low206 Ų206102.8 Ų102.890%0.89651%0.508SS*.  trans-67.693.3170.1-67.4-176.4-179.2-178.70109R411R411-K413 PolarHBondContact O-N 2.94Å
414L60.5Low60.6Low60 Ų60102.9 Ų102.931%0.31450%0.504SS..  trans-68.5138.4171.5-70.1158.4000109.3R412 A422 E423 I426R412-L414 PolarHBondContact O-N 2.79Å; L414-A422 HydrophobicContact CD2-CB 4.12Å; L414-E423 HydrophobicContact CD1-CG 3.97Å; L414-E423 WeakPolarHBondContact CD1-OE1 3.28Å; L414-E423 HydrophobicContact CD2-CG 3.6Å; L414-E423 HydrophobicContact CG-CG 4.46Å; L414-I426 HydrophobicContact CD2-CD1 3.88Å
415P63.3Low61.1Low35 Ų35102 Ų10223%0.22749%0.492CS..  trans-60.1150.2174.823.9-31.8000111.5V417 K419 A422 F463P415-V417 VanDerWaalsContact C-N 3.31Å; P415-V417 PolarHBondContact O-N 2.81Å; P415-K419 WeakPolarHBondContact O-CG 3.12Å; P415-A422 HydrophobicContact CG-CB 3.68Å; P415-F463 HydrophobicContact CB-CB 4.07Å; P415-F463 HydrophobicContact CB-CD1 4.48Å; P415-F463 HydrophobicContact CG-CB 4.32Å; P415-F463 HydrophobicContact CG-CD1 3.85Å; P415-F463 HydrophobicContact CG-CG 4.36Å
416A66Low61.9Low92 Ų9295.4 Ų95.476%0.7647%0.469SS*.SBendtrans-66.1-32.9-174.500000112.7
417V62.5Low62.6Low22 Ų2294.7 Ų94.713%0.13347%0.468CS..SBendtrans-102138.5178.1-171.20000109.4P415 Q469P415-V417 VanDerWaalsContact C-N 3.31Å; P415-V417 PolarHBondContact O-N 2.81Å; V417-Q469 HydrophobicContact CG1-CB 4.28Å
418N68.7Low63.2Low20 Ų2095 Ų9511%0.10747%0.47CS..  trans59.447.3178.4-67.4-29.1000115.9E420 L421 A422 L462 F468 Q469 I470N418-E420 VanDerWaalsContact C-N 3.32Å; N418-E420 PolarHBondContact O-N 2.8Å; N418-L421 HydrophobicContact CB-CB 4.21Å; N418-L421 PolarHBondContact O-N 3.47Å; N418-L421 VanDerWaalsContact O-N 3.14Å; N418-A422 PolarHBondContact O-N 3.27Å; N418-A422 VanDerWaalsContact O-N 3.13Å; N418-L462 PolarHBondContact ND2-O 2.86Å; N418-F468 PolarHBondContact ND2-O 2.66Å; N418-F468 PolarHBondContact OD1-O 2.62Å; N418-Q469 WeakPolarHBondContact OD1-CA 3.42Å; N418-I470 PolarHBondContact OD1-N 3.46Å
419K71.7Confident63.8Low123 Ų12391 Ų9154%0.53545%0.454SS..Hα-helixtrans-50.5-45.6177.7-66.5178.9-177.1177.40113.7P415 L421 A422 E423P415-K419 WeakPolarHBondContact O-CG 3.12Å; K419-L421 VanDerWaalsContact C-N 3.34Å; K419-L421 PolarHBondContact O-N 3.35Å; K419-A422 PolarHBondContact O-N 3.28Å; K419-E423 WeakPolarHBondContact O-CG 3.13Å; K419-E423 PolarHBondContact O-N 3.3Å
420E69.3Low64.2Low130 Ų13088.5 Ų88.561%0.60745%0.448SS*.Hα-helixtrans-66.1-34.6-178.2-65.1-167.1177.700113.3N418 R424N418-E420 VanDerWaalsContact C-N 3.32Å; N418-E420 PolarHBondContact O-N 2.8Å; E420-R424 WeakPolarHBondContact O-CG 3.04Å; E420-R424 PolarHBondContact O-N 2.87Å; E420-R424 VanDerWaalsContact O-N 3.16Å
421L70Confident64.7Low61 Ų6190.1 Ų90.132%0.31944%0.441SS..Hα-helixtrans-71.8-42.7178.7-168.5151.7000110N418 K419 E423 R424 L425 F463 I470N418-L421 HydrophobicContact CB-CB 4.21Å; N418-L421 PolarHBondContact O-N 3.47Å; N418-L421 VanDerWaalsContact O-N 3.14Å; K419-L421 VanDerWaalsContact C-N 3.34Å; K419-L421 PolarHBondContact O-N 3.35Å; L421-E423 VanDerWaalsContact C-N 3.35Å; L421-E423 PolarHBondContact O-N 2.82Å; L421-R424 PolarHBondContact O-N 2.97Å; L421-L425 HydrophobicContact CD2-CD1 3.55Å; L421-L425 HydrophobicContact CD2-CG 4.2Å; L421-L425 WeakPolarHBondContact O-CG 3.04Å; L421-L425 PolarHBondContact O-N 2.8Å; L421-L425 VanDerWaalsContact O-N 3.13Å; L421-F463 HydrophobicContact CD2-CE1 3.69Å; L421-F463 HydrophobicContact CD2-CZ 3.7Å; L421-I470 HydrophobicContact CD1-CD1 3.63Å
422A69.2Low65Low0 Ų083.2 Ų83.20%042%0.424CS..Hα-helixtrans-61.4-41.4174.300000112L414 P415 N418 K419 L425 I426 L454 F463L414-A422 HydrophobicContact CD2-CB 4.12Å; P415-A422 HydrophobicContact CG-CB 3.68Å; N418-A422 PolarHBondContact O-N 3.27Å; N418-A422 VanDerWaalsContact O-N 3.13Å; K419-A422 PolarHBondContact O-N 3.28Å; A422-L425 PolarHBondContact O-N 3.24Å; A422-I426 WeakPolarHBondContact O-CD1 3.41Å; A422-I426 WeakPolarHBondContact O-CG1 3.45Å; A422-I426 PolarHBondContact O-N 2.75Å; A422-I426 VanDerWaalsContact O-N 3.08Å; A422-L454 HydrophobicContact CB-CD2 4.31Å; A422-F463 HydrophobicContact CB-CE1 4.24Å
423E72.3Confident65Low101 Ų10177.5 Ų77.547%0.47242%0.418SS..Hα-helixtrans-61.3-44.7175.6-77.4-178.7-177.400112.9L414 K419 L421 I426 V427L414-E423 HydrophobicContact CD1-CG 3.97Å; L414-E423 WeakPolarHBondContact CD1-OE1 3.28Å; L414-E423 HydrophobicContact CD2-CG 3.6Å; L414-E423 HydrophobicContact CG-CG 4.46Å; K419-E423 WeakPolarHBondContact O-CG 3.13Å; K419-E423 PolarHBondContact O-N 3.3Å; L421-E423 VanDerWaalsContact C-N 3.35Å; L421-E423 PolarHBondContact O-N 2.82Å; E423-I426 PolarHBondContact O-N 2.87Å; E423-V427 WeakPolarHBondContact O-CG2 3.49Å; E423-V427 PolarHBondContact O-N 3.07Å
424R71.5Confident64.8Low151 Ų15177.9 Ų77.957%0.5741%0.413SS*.Hα-helixtrans-62.9-44178.7-72.4-179.1-165.1175.810112E420 L421 I426 V427 E428E420-R424 WeakPolarHBondContact O-CG 3.04Å; E420-R424 PolarHBondContact O-N 2.87Å; E420-R424 VanDerWaalsContact O-N 3.16Å; L421-R424 PolarHBondContact O-N 2.97Å; R424-I426 VanDerWaalsContact C-N 3.3Å; R424-I426 PolarHBondContact O-N 2.91Å; R424-V427 PolarHBondContact O-N 2.82Å; R424-E428 PolarHBondContact O-N 3.08Å
425L69.7Low64.2Low29 Ų2983.8 Ų83.815%0.15244%0.436CS..Hα-helixtrans-61.7-38.5177.2-70.4175.8000111.9L421 A422 Q429 L453 L454 F463L421-L425 HydrophobicContact CD2-CD1 3.55Å; L421-L425 HydrophobicContact CD2-CG 4.2Å; L421-L425 WeakPolarHBondContact O-CG 3.04Å; L421-L425 PolarHBondContact O-N 2.8Å; L421-L425 VanDerWaalsContact O-N 3.13Å; A422-L425 PolarHBondContact O-N 3.24Å; L425-Q429 VanDerWaalsContact O-CG 3.31Å; L425-Q429 WeakPolarHBondContact O-CG 3.42Å; L425-Q429 PolarHBondContact O-N 2.76Å; L425-Q429 VanDerWaalsContact O-N 3.11Å; L425-L453 HydrophobicContact CD1-CB 3.97Å; L425-L453 HydrophobicContact CD1-CD1 4.37Å; L425-L453 HydrophobicContact CD2-CD1 3.89Å; L425-L454 HydrophobicContact CB-CD1 3.63Å; L425-L454 HydrophobicContact CB-CG 4.34Å; L425-L454 HydrophobicContact CD1-CD1 4.27Å; L425-L454 HydrophobicContact CD1-CG 4.07Å; L425-F463 HydrophobicContact CD1-CZ 4.04Å
426I71.1Confident63.2Low45 Ų4589.1 Ų89.123%0.23146%0.456CS..Hα-helixtrans-67-39.1176.4-67.7162.8000111.6L414 A422 E423 R424 Q429 G430 L454L414-I426 HydrophobicContact CD2-CD1 3.88Å; A422-I426 WeakPolarHBondContact O-CD1 3.41Å; A422-I426 WeakPolarHBondContact O-CG1 3.45Å; A422-I426 PolarHBondContact O-N 2.75Å; A422-I426 VanDerWaalsContact O-N 3.08Å; E423-I426 PolarHBondContact O-N 2.87Å; R424-I426 VanDerWaalsContact C-N 3.3Å; R424-I426 PolarHBondContact O-N 2.91Å; I426-Q429 PolarHBondContact O-N 3.31Å; I426-G430 PolarHBondContact O-N 3.06Å; I426-G430 VanDerWaalsContact O-N 3.15Å; I426-L454 HydrophobicContact CG1-CD1 4.07Å
427V68.5Low62.2Low89 Ų8994 Ų9454%0.53946%0.46SS..Hα-helixtrans-67.4-42.9178.6172.60000111.2E423 R424 Q429 G430 D431E423-V427 WeakPolarHBondContact O-CG2 3.49Å; E423-V427 PolarHBondContact O-N 3.07Å; R424-V427 PolarHBondContact O-N 2.82Å; V427-Q429 VanDerWaalsContact C-N 3.32Å; V427-Q429 PolarHBondContact O-N 2.84Å; V427-G430 PolarHBondContact O-N 3.36Å; V427-G430 VanDerWaalsContact O-N 3.09Å; V427-D431 PolarHBondContact O-N 3.36Å; V427-D431 VanDerWaalsContact O-N 3.15Å
428E65.3Low61.1Low130 Ų130102.3 Ų102.361%0.60749%0.494SS*.Hα-helixtrans-64.4-36177.2-74.3-176164.800112.6R424 G430 S432R424-E428 PolarHBondContact O-N 3.08Å; E428-G430 VanDerWaalsContact C-N 3.32Å; E428-G430 PolarHBondContact O-N 2.82Å; E428-S432 WeakPolarHBondContact O-CB 3.36Å; E428-S432 PolarHBondContact O-N 2.89Å; E428-S432 PolarHBondContact O-OG 2.63Å
429Q62.7Low59.7Low81 Ų81108.3 Ų108.338%0.37953%0.526SS..Hα-helixtrans-62.4-38.5171.3-75.8176.71.600112.1L425 I426 V427 N452L425-Q429 VanDerWaalsContact O-CG 3.31Å; L425-Q429 WeakPolarHBondContact O-CG 3.42Å; L425-Q429 PolarHBondContact O-N 2.76Å; L425-Q429 VanDerWaalsContact O-N 3.11Å; I426-Q429 PolarHBondContact O-N 3.31Å; V427-Q429 VanDerWaalsContact C-N 3.32Å; V427-Q429 PolarHBondContact O-N 2.84Å; Q429-N452 PolarHBondContact NE2-OD1 3.35Å
430G61.2Low58.3Low47 Ų47106.8 Ų106.849%0.48553%0.531SS..Hα-helixtrans-68.4-40.4-179.600000114.5I426 V427 E428I426-G430 PolarHBondContact O-N 3.06Å; I426-G430 VanDerWaalsContact O-N 3.15Å; V427-G430 PolarHBondContact O-N 3.36Å; V427-G430 VanDerWaalsContact O-N 3.09Å; E428-G430 VanDerWaalsContact C-N 3.32Å; E428-G430 PolarHBondContact O-N 2.82Å
431D57.5Low56.9Low99 Ų99110.5 Ų110.553%0.52955%0.545SS..Hα-helixtrans-77.9-27.7-178.2-90.9-17.4000113.3V427 G433 R434V427-D431 PolarHBondContact O-N 3.36Å; V427-D431 VanDerWaalsContact O-N 3.15Å; D431-G433 VanDerWaalsContact C-N 3.25Å; D431-G433 PolarHBondContact O-N 3.25Å; D431-R434 PolarHBondContact O-N 3.39Å
432S55.4Low55.5Low59 Ų59117.4 Ų117.441%0.41357%0.572SS.*Hα-helixtrans-61.8-32.7174.7-61.20000112.6E428 K436E428-S432 WeakPolarHBondContact O-CB 3.36Å; E428-S432 PolarHBondContact O-N 2.89Å; E428-S432 PolarHBondContact O-OG 2.63Å; S432-K436 WeakPolarHBondContact O-CG 3.33Å; S432-K436 PolarHBondContact O-N 3.41Å
433G52.1Low54.2Low48 Ų48122 Ų12250%0.49561%0.605SS.*Hα-helixtrans-73.1-25.5178.600000114.6D431D431-G433 VanDerWaalsContact C-N 3.25Å; D431-G433 PolarHBondContact O-N 3.25Å
434R52Low52.8Low213 Ų213123.4 Ų123.480%0.80461%0.611SS**Hα-helixtrans-82.4-27.8178.5-84179.2168.4171.5-4.3113.3D431D431-R434 PolarHBondContact O-N 3.39Å
435K47.9Very low51.5Low184 Ų184124.4 Ų124.480%0.863%0.627SS**Hα-helixtrans-86.9-23.4178.4-73.2179.5178.81730114.2K437K435-K437 PolarHBondContact O-N 3.41Å
436K43.6Very low50.2Low147 Ų147132.7 Ų132.764%0.63966%0.661SS**G310 helixtrans-81.6-3-176.4-76.9179178.6179.60115.9S432 K438S432-K436 WeakPolarHBondContact O-CG 3.33Å; S432-K436 PolarHBondContact O-N 3.41Å; K436-K438 PolarHBondContact O-N 3.35Å; K436-K438 VanDerWaalsContact O-N 3.13Å
437K43.9Very low49Very low194 Ų194135.2 Ų135.284%0.84368%0.683SS**G310 helixtrans-73.55.2-179.6-91.7-173.9175.9-176.50115.9K435K435-K437 PolarHBondContact O-N 3.41Å
438K40.4Very low47.9Very low197 Ų197134.4 Ų134.486%0.85769%0.686SS**G310 helixtrans-11711.1-180-76.6-165.9174.4-171.50115.8K436K436-K438 PolarHBondContact O-N 3.35Å; K436-K438 VanDerWaalsContact O-N 3.13Å
439L39Very low47.1Very low146 Ų146135.4 Ų135.476%0.76470%0.696SS**SBendtrans-123.9139.4173.4-89.893.7000113.3
440S40.9Very low46.6Very low91 Ų91139.9 Ų139.964%0.63672%0.716SS**  trans-42.7142.5-168.6460000118.2K442S440-K442 PolarHBondContact O-N 2.71Å
441K41.3Very low46.5Very low209 Ų209140.7 Ų140.791%0.90973%0.725SS**THydrogen-bonded Turntrans-63.218.2-175.8-99.6178176.61760117.4
442K40.7Very low46.7Very low206 Ų206138.7 Ų138.790%0.89671%0.714SS**THydrogen-bonded Turntrans-119.16.5-166.6-125.4176.1-178.2179.30117.4S440S440-K442 PolarHBondContact O-N 2.71Å
443S42.1Very low47.3Very low97 Ų97139.6 Ų139.668%0.67871%0.714SS**SBendtrans-13612-17756.80000116.3
444Q42.3Very low47.9Very low130 Ų130140 Ų14061%0.60771%0.705SS**  trans-93.24.9-163.5-72.5-169.9-14.100117.7
445L44.5Very low48.7Very low172 Ų172134.7 Ų134.790%0.90170%0.696SS**SBendtrans-102.33.2-166.1-91.6144.8000116.9
446K42Very low50.1Low202 Ų202127.6 Ų127.688%0.87867%0.666SS**SBendtrans-137.13.8-174.1-72-170.1175.2-176.70117.4
447S45.5Very low51.6Low98 Ų98125.5 Ų125.569%0.68567%0.67SS**SBendtrans-128.517.7-171.270.90000114.8
448A45.7Very low52.9Low73 Ų73125.2 Ų125.260%0.60366%0.664SS**SBendtrans-96-21.5-174.900000114
449D49.1Very low54.3Low151 Ų151119.3 Ų119.381%0.80764%0.638SS**SBendtrans-94.9-14-172.6-72.2-24.2000114.5
450E52.5Low56Low174 Ų174118.2 Ų118.281%0.81363%0.627SS**SBendtrans-970.4-171.9-64-174.2160.300114.9
451G57.6Low57.6Low64 Ų64115.6 Ų115.666%0.6661%0.611SS**SBendtrans-114.1-2.3-171.300000116.7
452N62.5Low59.2Low57 Ų57108.4 Ų108.431%0.30558%0.583SS.*  trans-96.3102.3-174.4-88-17.3000111.4Q429 L454 T455 D456Q429-N452 PolarHBondContact NE2-OD1 3.35Å; N452-L454 PolarHBondContact O-N 3Å; N452-T455 HydrophobicContact CB-CG2 4.38Å; N452-T455 WeakPolarHBondContact CB-OG1 3.46Å; N452-T455 PolarHBondContact O-N 2.74Å; N452-T455 PolarHBondContact O-OG1 2.99Å; N452-D456 PolarHBondContact O-N 2.84Å
453L67.5Low60.8Low78 Ų7899.7 Ų99.741%0.40855%0.545SS..THydrogen-bonded Turntrans-53.7-25.3173.8-71.2163.1000113.6L425 F459L425-L453 HydrophobicContact CD1-CB 3.97Å; L425-L453 HydrophobicContact CD1-CD1 4.37Å; L425-L453 HydrophobicContact CD2-CD1 3.89Å; L453-F459 HydrophobicContact CD2-CD1 4.4Å; L453-F459 HydrophobicContact CD2-CD2 3.75Å; L453-F459 HydrophobicContact CD2-CE1 4.47Å; L453-F459 HydrophobicContact CD2-CE2 3.84Å; L453-F459 HydrophobicContact CD2-CG 4.04Å; L453-F459 HydrophobicContact CD2-CZ 4.2Å
454L65.7Low62.3Low58 Ų58101.1 Ų101.130%0.30454%0.541SS..THydrogen-bonded Turntrans-77.7-23.1177.1-80.2153.2000114A422 L425 I426 N452 F463A422-L454 HydrophobicContact CB-CD2 4.31Å; L425-L454 HydrophobicContact CB-CD1 3.63Å; L425-L454 HydrophobicContact CB-CG 4.34Å; L425-L454 HydrophobicContact CD1-CD1 4.27Å; L425-L454 HydrophobicContact CD1-CG 4.07Å; I426-L454 HydrophobicContact CG1-CD1 4.07Å; N452-L454 PolarHBondContact O-N 3Å; L454-F463 HydrophobicContact CD2-CE1 4.47Å; L454-F463 HydrophobicContact CD2-CZ 4.23Å
455T67.4Low64Low101 Ų101100.4 Ų100.462%0.6254%0.536SS*.THydrogen-bonded Turntrans-111-11.8-177.457.10000113N452 S457N452-T455 HydrophobicContact CB-CG2 4.38Å; N452-T455 WeakPolarHBondContact CB-OG1 3.46Å; N452-T455 PolarHBondContact O-N 2.74Å; N452-T455 PolarHBondContact O-OG1 2.99Å; T455-S457 PolarHBondContact O-N 2.89Å
456D77.5Confident65.3Low34 Ų3496.1 Ų96.118%0.18252%0.52CS..  trans-72.8121179.8-170.4-18.8000111N452 R458 F459 K460N452-D456 PolarHBondContact O-N 2.84Å; D456-R458 PolarHBondContact O-N 2.84Å; D456-R458 VanDerWaalsContact O-N 3.16Å; D456-R458 WeakPolarHBondContact OD1-CB 3.47Å; D456-R458 WeakPolarHBondContact OD1-CG 3.48Å; D456-R458 PolarHBondContact OD1-N 2.85Å; D456-R458 IonicContact OD1-NE 3.08Å; D456-R458 PolarHBondContact OD1-NE 3.33Å; D456-R458 IonicContact OD2-CZ 2.73Å; D456-R458 IonicContact OD2-NE 3.32Å; D456-R458 PolarHBondContact OD2-NE 3.22Å; D456-R458 VanDerWaalsContact OD2-NE 3.08Å; D456-R458 IonicContact OD2-NH2 3.85Å; D456-R458 PolarHBondContact OD2-NH2 3.41Å; D456-F459 HydrophobicContact CB-CD2 3.93Å; D456-F459 PolarHBondContact O-N 3.25Å; D456-F459 VanDerWaalsContact O-N 3.08Å; D456-F459 WeakPolarHBondContact OD2-CD2 3.45Å; D456-K460 PolarHBondContact O-N 2.81Å
457S76.4Confident66.8Low103 Ų10392.9 Ų92.972%0.7251%0.512SS*.THydrogen-bonded Turntrans-59.6-24.9179.856.80000113T455 F459T455-S457 PolarHBondContact O-N 2.89Å; S457-F459 VanDerWaalsContact C-N 3.34Å
458R70.7Confident68Low189 Ų18992.4 Ų92.471%0.71350%0.498SS*.THydrogen-bonded Turntrans-69.4-30.3177-61.7179.1-67.1175.2-0.5113.1D456D456-R458 PolarHBondContact O-N 2.84Å; D456-R458 VanDerWaalsContact O-N 3.16Å; D456-R458 WeakPolarHBondContact OD1-CB 3.47Å; D456-R458 WeakPolarHBondContact OD1-CG 3.48Å; D456-R458 PolarHBondContact OD1-N 2.85Å; D456-R458 IonicContact OD1-NE 3.08Å; D456-R458 PolarHBondContact OD1-NE 3.33Å; D456-R458 IonicContact OD2-CZ 2.73Å; D456-R458 IonicContact OD2-NE 3.32Å; D456-R458 PolarHBondContact OD2-NE 3.22Å; D456-R458 VanDerWaalsContact OD2-NE 3.08Å; D456-R458 IonicContact OD2-NH2 3.85Å; D456-R458 PolarHBondContact OD2-NH2 3.41Å
459F69.3Low69.3Low72 Ų7294 Ų9432%0.31649%0.493SS..THydrogen-bonded Turntrans-103.53.5-174.9-65.5-71.5000113.5L453 D456 S457 A461 L462L453-F459 HydrophobicContact CD2-CD1 4.4Å; L453-F459 HydrophobicContact CD2-CD2 3.75Å; L453-F459 HydrophobicContact CD2-CE1 4.47Å; L453-F459 HydrophobicContact CD2-CE2 3.84Å; L453-F459 HydrophobicContact CD2-CG 4.04Å; L453-F459 HydrophobicContact CD2-CZ 4.2Å; D456-F459 HydrophobicContact CB-CD2 3.93Å; D456-F459 PolarHBondContact O-N 3.25Å; D456-F459 VanDerWaalsContact O-N 3.08Å; D456-F459 WeakPolarHBondContact OD2-CD2 3.45Å; S457-F459 VanDerWaalsContact C-N 3.34Å; F459-A461 PolarHBondContact O-N 3.16Å; F459-L462 HydrophobicContact CB-CD1 4.16Å; F459-L462 HydrophobicContact CD1-CD1 3.59Å; F459-L462 HydrophobicContact CD1-CG 4.37Å; F459-L462 HydrophobicContact CE1-CD1 4.48Å; F459-L462 HydrophobicContact CG-CD1 4.3Å; F459-L462 WeakPolarHBondContact O-CB 3.26Å; F459-L462 PolarHBondContact O-N 3.11Å
460K74.1Confident70.2Confident123 Ų12390.3 Ų90.354%0.53547%0.473SS..THydrogen-bonded Turntrans-55.5-34.6176.7-161.7175.5179.8-170.10112.7D456 L462 F463 E464D456-K460 PolarHBondContact O-N 2.81Å; K460-L462 VanDerWaalsContact C-N 3.27Å; K460-L462 PolarHBondContact O-N 2.98Å; K460-F463 PolarHBondContact O-N 3.47Å; K460-E464 WeakPolarHBondContact CE-OE1 3.1Å; K460-E464 IonicContact NZ-OE1 3.32Å; K460-E464 PolarHBondContact O-N 3.14Å
461A76.1Confident71.2Confident36 Ų3685.6 Ų85.630%0.29845%0.453SS..Hα-helixtrans-61-30.7176.500000113.6F459 F463 E464 K465 F468F459-A461 PolarHBondContact O-N 3.16Å; A461-F463 PolarHBondContact O-N 2.9Å; A461-E464 PolarHBondContact O-N 2.83Å; A461-K465 PolarHBondContact O-N 3.03Å; A461-K465 VanDerWaalsContact O-N 3.13Å; A461-F468 HydrophobicContact CB-CE2 3.99Å; A461-F468 VanDerWaalsContact O-CD2 3.23Å; A461-F468 WeakPolarHBondContact O-CD2 3.35Å
462L74.3Confident71.8Confident59 Ų5986.2 Ų86.231%0.30945%0.446SS..Hα-helixtrans-67.1-19.9179.4-67.8179.5000113.5N418 F459 K460 F468N418-L462 PolarHBondContact ND2-O 2.86Å; F459-L462 HydrophobicContact CB-CD1 4.16Å; F459-L462 HydrophobicContact CD1-CD1 3.59Å; F459-L462 HydrophobicContact CD1-CG 4.37Å; F459-L462 HydrophobicContact CE1-CD1 4.48Å; F459-L462 HydrophobicContact CG-CD1 4.3Å; F459-L462 WeakPolarHBondContact O-CB 3.26Å; F459-L462 PolarHBondContact O-N 3.11Å; K460-L462 VanDerWaalsContact C-N 3.27Å; K460-L462 PolarHBondContact O-N 2.98Å; L462-F468 HydrophobicContact CD2-CB 4.09Å; L462-F468 HydrophobicContact CD2-CD1 3.72Å; L462-F468 HydrophobicContact CD2-CD2 4.33Å; L462-F468 HydrophobicContact CD2-CE1 4.21Å; L462-F468 HydrophobicContact CD2-CG 3.8Å
463F73Confident72.2Confident23 Ų2387.6 Ų87.610%0.10146%0.459CS..Hα-helixtrans-111.1-5.2-177-60.1-72.8000113.3P415 L421 A422 L425 L454 K460 A461P415-F463 HydrophobicContact CB-CB 4.07Å; P415-F463 HydrophobicContact CB-CD1 4.48Å; P415-F463 HydrophobicContact CG-CB 4.32Å; P415-F463 HydrophobicContact CG-CD1 3.85Å; P415-F463 HydrophobicContact CG-CG 4.36Å; L421-F463 HydrophobicContact CD2-CE1 3.69Å; L421-F463 HydrophobicContact CD2-CZ 3.7Å; A422-F463 HydrophobicContact CB-CE1 4.24Å; L425-F463 HydrophobicContact CD1-CZ 4.04Å; L454-F463 HydrophobicContact CD2-CE1 4.47Å; L454-F463 HydrophobicContact CD2-CZ 4.23Å; K460-F463 PolarHBondContact O-N 3.47Å; A461-F463 PolarHBondContact O-N 2.9Å
464E74.7Confident72.7Confident126 Ų12686 Ų8659%0.58946%0.455SS*.Hα-helixtrans-114.4-38.2-178.6-71.7-177.6164.400113.9K460 A461K460-E464 WeakPolarHBondContact CE-OE1 3.1Å; K460-E464 IonicContact NZ-OE1 3.32Å; K460-E464 PolarHBondContact O-N 3.14Å; A461-E464 PolarHBondContact O-N 2.83Å
465K77Confident73.1Confident115 Ų11590.8 Ų90.850%0.548%0.475SS..  trans-88.5134.1-177.2-65.6-176.3178.2-1800111.8A461 D467 F468A461-K465 PolarHBondContact O-N 3.03Å; A461-K465 VanDerWaalsContact O-N 3.13Å; K465-D467 PolarHBondContact O-N 3.05Å; K465-F468 HydrophobicContact CB-CD2 3.9Å; K465-F468 HydrophobicContact CB-CE2 4.21Å; K465-F468 HydrophobicContact CD-CE2 4.05Å; K465-F468 PolarHBondContact O-N 3.03Å
466S73.5Confident73.5Confident82 Ų8293.1 Ų93.157%0.57348%0.48SS*.G310 helixtrans-57.7-28.5173.747.40000113.3F468 Q469S466-F468 PolarHBondContact O-N 3.26Å; S466-F468 VanDerWaalsContact O-N 3.16Å; S466-Q469 WeakPolarHBondContact O-CB 3.42Å; S466-Q469 PolarHBondContact O-N 2.93Å
467D73.5Confident73.3Confident134 Ų13494.1 Ų94.172%0.71748%0.481SS*.G310 helixtrans-65.4-19.2-176.4-49.6-18.6000113.1K465K465-D467 PolarHBondContact O-N 3.05Å
468F70.6Confident73.3Confident89 Ų8995.3 Ų95.339%0.3947%0.473SS..G310 helixtrans-99.49.8176.6-60.6-69000113.3N418 A461 L462 K465 S466 I470N418-F468 PolarHBondContact ND2-O 2.66Å; N418-F468 PolarHBondContact OD1-O 2.62Å; A461-F468 HydrophobicContact CB-CE2 3.99Å; A461-F468 VanDerWaalsContact O-CD2 3.23Å; A461-F468 WeakPolarHBondContact O-CD2 3.35Å; L462-F468 HydrophobicContact CD2-CB 4.09Å; L462-F468 HydrophobicContact CD2-CD1 3.72Å; L462-F468 HydrophobicContact CD2-CD2 4.33Å; L462-F468 HydrophobicContact CD2-CE1 4.21Å; L462-F468 HydrophobicContact CD2-CG 3.8Å; K465-F468 HydrophobicContact CB-CD2 3.9Å; K465-F468 HydrophobicContact CB-CE2 4.21Å; K465-F468 HydrophobicContact CD-CE2 4.05Å; K465-F468 PolarHBondContact O-N 3.03Å; S466-F468 PolarHBondContact O-N 3.26Å; S466-F468 VanDerWaalsContact O-N 3.16Å; F468-I470 PolarHBondContact O-N 3.49Å
469Q71.6Confident73.6Confident106 Ų10693 Ų9350%0.49548%0.475SS..  trans-63119.5177.1-174.9176.6-47.400110.2V417 N418 S466 D471V417-Q469 HydrophobicContact CG1-CB 4.28Å; N418-Q469 WeakPolarHBondContact OD1-CA 3.42Å; S466-Q469 WeakPolarHBondContact O-CB 3.42Å; S466-Q469 PolarHBondContact O-N 2.93Å; Q469-D471 PolarHBondContact NE2-OD1 3.04Å; Q469-D471 PolarHBondContact O-N 2.79Å; Q469-D471 VanDerWaalsContact O-N 3.16Å
470I69.6Low73.8Confident74 Ų7496.3 Ų96.338%0.37949%0.494SS..  trans-77.2103.6176.7-60173.7000108.2N418 L421 F468 P472 Y477N418-I470 PolarHBondContact OD1-N 3.46Å; L421-I470 HydrophobicContact CD1-CD1 3.63Å; F468-I470 PolarHBondContact O-N 3.49Å; I470-P472 WeakPolarHBondContact O-CD 3.35Å; I470-Y477 HydrophobicContact CG2-CD2 3.71Å; I470-Y477 HydrophobicContact CG2-CE2 3.33Å
471D72.6Confident73.6Confident74 Ų7493.5 Ų93.540%0.39649%0.485SS..  trans-90.2106.1175.6-75.8-17.5000111.2Q469 S473 S474Q469-D471 PolarHBondContact NE2-OD1 3.04Å; Q469-D471 PolarHBondContact O-N 2.79Å; Q469-D471 VanDerWaalsContact O-N 3.16Å; D471-S473 PolarHBondContact O-N 3.15Å; D471-S473 VanDerWaalsContact O-N 3.11Å; D471-S474 PolarHBondContact O-N 3.01Å; D471-S474 PolarHBondContact O-OG 3.47Å
472P69.3Low73.6Confident78 Ų7895.7 Ų95.751%0.50650%0.497SS..THydrogen-bonded Turntrans-70.1-6.6-178.129.7-36.4000113.8I470 Y477I470-P472 WeakPolarHBondContact O-CD 3.35Å; P472-Y477 HydrophobicContact CB-CD1 4.36Å; P472-Y477 HydrophobicContact CB-CE1 4.22Å
473S71.3Confident73.6Confident85 Ų8595.7 Ų95.759%0.59451%0.505SS*.THydrogen-bonded Turntrans-85.9-24.5177.349.30000113.6D471 K478D471-S473 PolarHBondContact O-N 3.15Å; D471-S473 VanDerWaalsContact O-N 3.11Å; S473-K478 PolarHBondContact O-NZ 3.09Å
474S78.7Confident73.4Confident44 Ų4496.5 Ų96.531%0.30851%0.512SS..SBendtrans-60.9144.7-177.863.60000112.4D471 E476 Y477 K478D471-S474 PolarHBondContact O-N 3.01Å; D471-S474 PolarHBondContact O-OG 3.47Å; S474-E476 VanDerWaalsContact C-N 3.32Å; S474-Y477 PolarHBondContact O-N 2.98Å; S474-Y477 WeakPolarHBondContact OG-CB 3.5Å; S474-Y477 PolarHBondContact OG-N 3.4Å; S474-K478 PolarHBondContact O-N 3.36Å
475E74.5Confident73.2Confident159 Ų15993 Ų9374%0.74351%0.505SS*.Hα-helixtrans-65.6-37.5178.6-68.4-169.4157.800111.6Y477 K478 L479E475-Y477 PolarHBondContact O-N 3.02Å; E475-K478 PolarHBondContact O-N 3.32Å; E475-L479 WeakPolarHBondContact O-CG 3.48Å; E475-L479 PolarHBondContact O-N 3.34Å
476E75.9Confident73Confident151 Ų15197.1 Ų97.171%0.70652%0.517SS*.Hα-helixtrans-60.2-44.3177.5-61.6-177.6172.500112.1S474 K478 L479 L480S474-E476 VanDerWaalsContact C-N 3.32Å; E476-K478 VanDerWaalsContact C-N 3.35Å; E476-K478 PolarHBondContact O-N 3.44Å; E476-L479 PolarHBondContact O-N 3.31Å; E476-L480 PolarHBondContact O-N 2.82Å
477Y73.6Confident73.1Confident54 Ų5498.8 Ų98.821%0.21252%0.519CS..Hα-helixtrans-64.8-38177.2-174.5-94.2000112.4I470 P472 S474 E475 N481I470-Y477 HydrophobicContact CG2-CD2 3.71Å; I470-Y477 HydrophobicContact CG2-CE2 3.33Å; P472-Y477 HydrophobicContact CB-CD1 4.36Å; P472-Y477 HydrophobicContact CB-CE1 4.22Å; S474-Y477 PolarHBondContact O-N 2.98Å; S474-Y477 WeakPolarHBondContact OG-CB 3.5Å; S474-Y477 PolarHBondContact OG-N 3.4Å; E475-Y477 PolarHBondContact O-N 3.02Å; Y477-N481 WeakPolarHBondContact CE2-ND2 3.36Å; Y477-N481 WeakPolarHBondContact O-CB 3.14Å; Y477-N481 PolarHBondContact O-N 3.32Å; Y477-N481 VanDerWaalsContact O-N 3.14Å
478K75.3Confident73.2Confident129 Ų12997.7 Ų97.756%0.56151%0.509SS*.Hα-helixtrans-68.4-36.5177.4-72.3169.5-179.8155.90112.2S473 S474 E475 E476S473-K478 PolarHBondContact O-NZ 3.09Å; S474-K478 PolarHBondContact O-N 3.36Å; E475-K478 PolarHBondContact O-N 3.32Å; E476-K478 VanDerWaalsContact C-N 3.35Å; E476-K478 PolarHBondContact O-N 3.44Å
479L77Confident73.5Confident141 Ų14198.3 Ų98.374%0.73852%0.517SS*.Hα-helixtrans-69.4-41.6177-79.9158.4000112.3E475 E476E475-L479 WeakPolarHBondContact O-CG 3.48Å; E475-L479 PolarHBondContact O-N 3.34Å; E476-L479 PolarHBondContact O-N 3.31Å
480L73.6Confident74Confident140 Ų14095.9 Ų95.973%0.73352%0.515SS*.Hα-helixtrans-74.1-28.9-179.9-90.3148.7000113.8E476 P482E476-L480 PolarHBondContact O-N 2.82Å; L480-P482 VanDerWaalsContact O-CD 3.25Å; L480-P482 WeakPolarHBondContact O-CD 3.04Å
481N69.6Low74.4Confident64 Ų64100.1 Ų100.134%0.34253%0.53SS..  trans-120.162.2-173.6-74.3-39.5000114.4Y477 A483 V484Y477-N481 WeakPolarHBondContact CE2-ND2 3.36Å; Y477-N481 WeakPolarHBondContact O-CB 3.14Å; Y477-N481 PolarHBondContact O-N 3.32Å; Y477-N481 VanDerWaalsContact O-N 3.14Å; N481-A483 PolarHBondContact O-N 2.99Å; N481-A483 VanDerWaalsContact O-N 3.08Å; N481-V484 HydrophobicContact CB-CB 4.32Å; N481-V484 HydrophobicContact CB-CG2 3.81Å; N481-V484 PolarHBondContact O-N 2.91Å
482P75.5Confident74.7Confident83 Ų83105.5 Ų105.554%0.53955%0.545SS..Hα-helixtrans-61-23.417825.1-33.7000113.1L480 V484L480-P482 VanDerWaalsContact O-CD 3.25Å; L480-P482 WeakPolarHBondContact O-CD 3.04Å; P482-V484 VanDerWaalsContact C-N 3.34Å; P482-V484 PolarHBondContact O-N 2.91Å
483A74.4Confident75.2Confident59 Ų59106.2 Ų106.249%0.48854%0.542SS..Hα-helixtrans-67.3-30.6176.600000113.5N481 R486 L487N481-A483 PolarHBondContact O-N 2.99Å; N481-A483 VanDerWaalsContact O-N 3.08Å; A483-R486 PolarHBondContact O-N 3.17Å; A483-L487 PolarHBondContact O-N 3.02Å
484V69.7Low75.6Confident39 Ų39109.3 Ų109.324%0.23655%0.545CS..Hα-helixtrans-69.8-39.4-177.8177.60000110.6N481 P482 R486 L487 Q488N481-V484 HydrophobicContact CB-CB 4.32Å; N481-V484 HydrophobicContact CB-CG2 3.81Å; N481-V484 PolarHBondContact O-N 2.91Å; P482-V484 VanDerWaalsContact C-N 3.34Å; P482-V484 PolarHBondContact O-N 2.91Å; V484-R486 PolarHBondContact O-N 3.27Å; V484-L487 PolarHBondContact O-N 2.79Å; V484-Q488 HydrophobicContact CG1-CG 4.39Å; V484-Q488 WeakPolarHBondContact O-CB 3.24Å; V484-Q488 WeakPolarHBondContact O-CG 3.28Å; V484-Q488 PolarHBondContact O-N 3.05Å
485A70.4Confident75.4Confident53 Ų53112.6 Ų112.644%0.43856%0.557SS.*Hα-helixtrans-61.8-41.8173.500000112Q488 N489A485-Q488 PolarHBondContact O-N 3.27Å; A485-N489 WeakPolarHBondContact O-CB 3.39Å; A485-N489 VanDerWaalsContact O-CG 3.31Å; A485-N489 PolarHBondContact O-N 2.83Å
486R73.3Confident75.8Confident201 Ų201112.6 Ų112.676%0.75855%0.55SS*.Hα-helixtrans-63.7-43.1176-69.1-175.2-179177.81112.2A483 V484 N489 A490A483-R486 PolarHBondContact O-N 3.17Å; V484-R486 PolarHBondContact O-N 3.27Å; R486-N489 PolarHBondContact O-N 2.93Å; R486-A490 WeakPolarHBondContact O-CB 3.41Å; R486-A490 PolarHBondContact O-N 3Å
487L75.8Confident76.1Confident117 Ų117112.3 Ų112.361%0.61354%0.542SS*.Hα-helixtrans-67.9-40.2178.5-81.4161.2000112.6A483 V484 A490 K491A483-L487 PolarHBondContact O-N 3.02Å; V484-L487 PolarHBondContact O-N 2.79Å; L487-A490 PolarHBondContact O-N 2.82Å; L487-K491 WeakPolarHBondContact O-CB 3.32Å; L487-K491 PolarHBondContact O-N 2.89Å
488Q74.5Confident76.4Confident111 Ų111114.5 Ų114.552%0.51956%0.557SS.*Hα-helixtrans-65-41.5175.8-75.1-177-2.800111.5V484 A485 K491 R492V484-Q488 HydrophobicContact CG1-CG 4.39Å; V484-Q488 WeakPolarHBondContact O-CB 3.24Å; V484-Q488 WeakPolarHBondContact O-CG 3.28Å; V484-Q488 PolarHBondContact O-N 3.05Å; A485-Q488 PolarHBondContact O-N 3.27Å; Q488-K491 PolarHBondContact O-N 2.93Å; Q488-R492 WeakPolarHBondContact O-CB 3.32Å; Q488-R492 WeakPolarHBondContact O-CG 3.33Å; Q488-R492 PolarHBondContact O-N 2.84Å
489N77.6Confident76.7Confident102 Ų102114.8 Ų114.855%0.54556%0.558SS.*Hα-helixtrans-64-44.3174.4-73.5-13000111.9A485 R486 K491 R492 E493A485-N489 WeakPolarHBondContact O-CB 3.39Å; A485-N489 VanDerWaalsContact O-CG 3.31Å; A485-N489 PolarHBondContact O-N 2.83Å; R486-N489 PolarHBondContact O-N 2.93Å; N489-K491 PolarHBondContact O-N 2.8Å; N489-R492 PolarHBondContact O-N 2.94Å; N489-E493 WeakPolarHBondContact O-CB 3.41Å; N489-E493 PolarHBondContact O-N 3.44Å
490A80.9Confident76.9Confident55 Ų55112 Ų11246%0.45554%0.541SS..Hα-helixtrans-63.1-38.9176.400000112.9R486 L487 K494R486-A490 WeakPolarHBondContact O-CB 3.41Å; R486-A490 PolarHBondContact O-N 3Å; L487-A490 PolarHBondContact O-N 2.82Å; A490-K494 WeakPolarHBondContact O-CB 3.43Å; A490-K494 PolarHBondContact O-N 3.12Å
491K78.2Confident77.3Confident163 Ų163111.5 Ų111.571%0.70953%0.533SS*.Hα-helixtrans-65.4-44.1173.5-90.9-173.3175.1-179.20111.9L487 Q488 N489 E493 K494 M495L487-K491 WeakPolarHBondContact O-CB 3.32Å; L487-K491 PolarHBondContact O-N 2.89Å; Q488-K491 PolarHBondContact O-N 2.93Å; N489-K491 PolarHBondContact O-N 2.8Å; K491-E493 VanDerWaalsContact C-N 3.35Å; K491-K494 PolarHBondContact O-N 3.06Å; K491-M495 WeakPolarHBondContact O-CB 3.17Å; K491-M495 WeakPolarHBondContact O-CG 3.4Å; K491-M495 PolarHBondContact O-N 2.82Å
492R78.7Confident77.8Confident187 Ų187110.7 Ų110.771%0.70654%0.535SS*.Hα-helixtrans-60.9-43.7176.6-80.9-179.2173.3-176.6-1.4111.4Q488 N489 M495 R496Q488-R492 WeakPolarHBondContact O-CB 3.32Å; Q488-R492 WeakPolarHBondContact O-CG 3.33Å; Q488-R492 PolarHBondContact O-N 2.84Å; N489-R492 PolarHBondContact O-N 2.94Å; R492-M495 PolarHBondContact O-N 2.78Å; R492-R496 PolarHBondContact O-N 2.9Å
493E80.6Confident77.8Confident94 Ų94112.3 Ų112.344%0.43954%0.536SS..Hα-helixtrans-66.1-42178.1-158.7-174.1161.600112N489 K491 M495 R496 R497N489-E493 WeakPolarHBondContact O-CB 3.41Å; N489-E493 PolarHBondContact O-N 3.44Å; K491-E493 VanDerWaalsContact C-N 3.35Å; E493-M495 PolarHBondContact O-N 2.7Å; E493-R496 PolarHBondContact O-N 2.89Å; E493-R497 WeakPolarHBondContact O-CG 3.47Å; E493-R497 PolarHBondContact O-N 3.03Å; E493-R497 IonicContact OE1-CZ 2.9Å; E493-R497 IonicContact OE1-NE 2.74Å; E493-R497 IonicContact OE1-NH2 3.53Å; E493-R497 PolarHBondContact OE1-NH2 2.82Å
494K80.2Confident78Confident149 Ų149115.3 Ų115.365%0.64854%0.54SS*.Hα-helixtrans-62.4-41175.1-167.9176.6-178.3-179.70112.2A490 K491 L498A490-K494 WeakPolarHBondContact O-CB 3.43Å; A490-K494 PolarHBondContact O-N 3.12Å; K491-K494 PolarHBondContact O-N 3.06Å; K494-L498 HydrophobicContact CG-CD1 4.3Å; K494-L498 WeakPolarHBondContact O-CB 2.93Å; K494-L498 PolarHBondContact O-N 3.45Å
495M74.7Confident78.1Confident114 Ų114119.6 Ų119.656%0.56256%0.557SS**Hα-helixtrans-66.6-37.7175.1-75.8-65.7-72.100112.3K491 R492 E493 L498 K499K491-M495 WeakPolarHBondContact O-CB 3.17Å; K491-M495 WeakPolarHBondContact O-CG 3.4Å; K491-M495 PolarHBondContact O-N 2.82Å; R492-M495 PolarHBondContact O-N 2.78Å; E493-M495 PolarHBondContact O-N 2.7Å; M495-L498 PolarHBondContact O-N 2.88Å; M495-K499 PolarHBondContact O-N 3.23Å
496R81.6Confident78.1Confident159 Ų159125.9 Ų125.960%0.657%0.57SS**Hα-helixtrans-63.9-47.5175-156.2-177.487.1-163.31.6111.4R492 E493 L498 K499 E500R492-R496 PolarHBondContact O-N 2.9Å; E493-R496 PolarHBondContact O-N 2.89Å; R496-L498 VanDerWaalsContact C-N 3.3Å; R496-L498 PolarHBondContact O-N 3.48Å; R496-K499 PolarHBondContact O-N 2.92Å; R496-K499 VanDerWaalsContact O-N 3.15Å; R496-E500 IonicContact CZ-OE1 3.18Å; R496-E500 IonicContact NE-OE1 3.67Å; R496-E500 PolarHBondContact NE-OE1 3.16Å; R496-E500 IonicContact NH2-OE1 3.71Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 3.47Å
497R83.2Confident77.5Confident145 Ų145123.2 Ų123.255%0.54757%0.566SS.*Hα-helixtrans-61.9-34.9175.6-68.7-177.2-170.8-168.74.2113E493 K501E493-R497 WeakPolarHBondContact O-CG 3.47Å; E493-R497 PolarHBondContact O-N 3.03Å; E493-R497 IonicContact OE1-CZ 2.9Å; E493-R497 IonicContact OE1-NE 2.74Å; E493-R497 IonicContact OE1-NH2 3.53Å; E493-R497 PolarHBondContact OE1-NH2 2.82Å; R497-K501 WeakPolarHBondContact O-CB 3.37Å; R497-K501 VanDerWaalsContact O-CG 3.31Å; R497-K501 WeakPolarHBondContact O-CG 3.17Å; R497-K501 PolarHBondContact O-N 2.85Å
498L80Confident76.9Confident100 Ų100123.3 Ų123.352%0.52457%0.571SS.*Hα-helixtrans-69.1-39.2174.8-88.9157.6000112K494 M495 R496 A502K494-L498 HydrophobicContact CG-CD1 4.3Å; K494-L498 WeakPolarHBondContact O-CB 2.93Å; K494-L498 PolarHBondContact O-N 3.45Å; M495-L498 PolarHBondContact O-N 2.88Å; R496-L498 VanDerWaalsContact C-N 3.3Å; R496-L498 PolarHBondContact O-N 3.48Å; L498-A502 WeakPolarHBondContact O-CB 3.11Å; L498-A502 PolarHBondContact O-N 2.8Å
499K81.1Confident75.8Confident135 Ų135128 Ų12859%0.58758%0.584SS**Hα-helixtrans-67.1-47.2173.9-78.1-173175.1-1720112.1M495 R496 K501 A502 E503M495-K499 PolarHBondContact O-N 3.23Å; R496-K499 PolarHBondContact O-N 2.92Å; R496-K499 VanDerWaalsContact O-N 3.15Å; K499-K501 VanDerWaalsContact C-N 3.34Å; K499-K501 PolarHBondContact O-N 3.04Å; K499-A502 PolarHBondContact O-N 3.32Å; K499-A502 VanDerWaalsContact O-N 3.09Å; K499-E503 PolarHBondContact O-N 3Å
500E81.4Confident74.4Confident81 Ų81130 Ų13038%0.37959%0.593SS.*Hα-helixtrans-56-47.5175.8-73.5165.4-17300110.6R496 A502 E503 E504R496-E500 IonicContact CZ-OE1 3.18Å; R496-E500 IonicContact NE-OE1 3.67Å; R496-E500 PolarHBondContact NE-OE1 3.16Å; R496-E500 IonicContact NH2-OE1 3.71Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 3.47Å; E500-A502 PolarHBondContact O-N 2.62Å; E500-E503 PolarHBondContact O-N 2.95Å; E500-E504 WeakPolarHBondContact O-CG 2.79Å; E500-E504 PolarHBondContact O-N 2.72Å
501K82.2Confident72.6Confident131 Ų131133.1 Ų133.157%0.5761%0.607SS**Hα-helixtrans-63.6-36.2175.2-76.2-177.8177.7-169.90113.9R497 K499 Q505R497-K501 WeakPolarHBondContact O-CB 3.37Å; R497-K501 VanDerWaalsContact O-CG 3.31Å; R497-K501 WeakPolarHBondContact O-CG 3.17Å; R497-K501 PolarHBondContact O-N 2.85Å; K499-K501 VanDerWaalsContact C-N 3.34Å; K499-K501 PolarHBondContact O-N 3.04Å; K501-Q505 WeakPolarHBondContact O-CB 3.41Å; K501-Q505 VanDerWaalsContact O-CG 3.26Å; K501-Q505 WeakPolarHBondContact O-CG 3.25Å; K501-Q505 PolarHBondContact O-N 3.45Å
502A79Confident70.7Confident46 Ų46130 Ų13038%0.3860%0.604SS.*Hα-helixtrans-71.5-33.5177.400000111.9L498 K499 E500 R506L498-A502 WeakPolarHBondContact O-CB 3.11Å; L498-A502 PolarHBondContact O-N 2.8Å; K499-A502 PolarHBondContact O-N 3.32Å; K499-A502 VanDerWaalsContact O-N 3.09Å; E500-A502 PolarHBondContact O-N 2.62Å; A502-R506 WeakPolarHBondContact O-CB 3.16Å; A502-R506 WeakPolarHBondContact O-CG 2.91Å; A502-R506 PolarHBondContact O-N 2.95Å
503E77.4Confident68.6Low117 Ų117128.5 Ų128.555%0.54761%0.609SS.*Hα-helixtrans-72.2-43.1173.8-76.3174.6-17600111.7K499 E500 Q505 R506 Q507K499-E503 PolarHBondContact O-N 3Å; E500-E503 PolarHBondContact O-N 2.95Å; E503-Q505 VanDerWaalsContact C-N 3.34Å; E503-Q505 PolarHBondContact O-N 2.6Å; E503-R506 PolarHBondContact O-N 3.01Å; E503-R506 VanDerWaalsContact O-N 3.12Å; E503-Q507 PolarHBondContact O-N 3.01Å
504E76.8Confident66.5Low123 Ų123129.7 Ų129.758%0.57563%0.627SS**Hα-helixtrans-58.4-45.2171.8-75.6176.1172.800111.3E500 R506 Q507 V508E500-E504 WeakPolarHBondContact O-CG 2.79Å; E500-E504 PolarHBondContact O-N 2.72Å; E504-R506 VanDerWaalsContact C-N 3.29Å; E504-R506 PolarHBondContact O-N 3.29Å; E504-Q507 PolarHBondContact O-N 2.89Å; E504-V508 VanDerWaalsContact O-CG2 3.26Å; E504-V508 WeakPolarHBondContact O-CG2 3.21Å; E504-V508 PolarHBondContact O-N 3.43Å
505Q72.3Confident64.4Low129 Ų129127.5 Ų127.560%0.60363%0.626SS**Hα-helixtrans-66.3-28.6176.3-75.4-179.63.700113.3K501 E503 R509K501-Q505 WeakPolarHBondContact O-CB 3.41Å; K501-Q505 VanDerWaalsContact O-CG 3.26Å; K501-Q505 WeakPolarHBondContact O-CG 3.25Å; K501-Q505 PolarHBondContact O-N 3.45Å; E503-Q505 VanDerWaalsContact C-N 3.34Å; E503-Q505 PolarHBondContact O-N 2.6Å; Q505-R509 WeakPolarHBondContact O-CG 3.46Å; Q505-R509 PolarHBondContact O-N 3.37Å
506R69.8Low62.7Low185 Ų185131 Ų13170%0.69865%0.646SS**Hα-helixtrans-74.7-41.3173.1-81.5177.3175.7179.2-1.9111.9A502 E503 E504 R509 L510A502-R506 WeakPolarHBondContact O-CB 3.16Å; A502-R506 WeakPolarHBondContact O-CG 2.91Å; A502-R506 PolarHBondContact O-N 2.95Å; E503-R506 PolarHBondContact O-N 3.01Å; E503-R506 VanDerWaalsContact O-N 3.12Å; E504-R506 VanDerWaalsContact C-N 3.29Å; E504-R506 PolarHBondContact O-N 3.29Å; R506-R509 PolarHBondContact O-N 2.86Å; R506-L510 PolarHBondContact O-N 2.99Å
507Q62.5Low60.7Low144 Ų144132.2 Ų132.267%0.67366%0.656SS**Hα-helixtrans-67.1-37.1177.7-74.3-174.9-3.600112.2E503 E504 R509 L510E503-Q507 PolarHBondContact O-N 3.01Å; E504-Q507 PolarHBondContact O-N 2.89Å; Q507-R509 VanDerWaalsContact C-N 3.33Å; Q507-R509 PolarHBondContact O-N 2.77Å; Q507-L510 PolarHBondContact O-N 2.94Å
508V62.7Low58.6Low119 Ų119131.4 Ų131.472%0.72166%0.662SS**Hα-helixtrans-72.3-24.5177.8176.20000112.7E504E504-V508 VanDerWaalsContact O-CG2 3.26Å; E504-V508 WeakPolarHBondContact O-CG2 3.21Å; E504-V508 PolarHBondContact O-N 3.43Å
509R52.1Low56.7Low210 Ų210134.3 Ų134.379%0.79268%0.678SS**Hα-helixtrans-85-14.4177-77.3-176.4-177.7-173.41.6114.6Q505 R506 Q507Q505-R509 WeakPolarHBondContact O-CG 3.46Å; Q505-R509 PolarHBondContact O-N 3.37Å; R506-R509 PolarHBondContact O-N 2.86Å; Q507-R509 VanDerWaalsContact C-N 3.33Å; Q507-R509 PolarHBondContact O-N 2.77Å
510L46.6Very low54.6Low143 Ų143136.9 Ų136.975%0.74969%0.689SS**SBendtrans-96.57.7-176.6-81.8163.3000114.1R506 Q507R506-L510 PolarHBondContact O-N 2.99Å; Q507-L510 PolarHBondContact O-N 2.94Å
511V44.4Very low52.4Low121 Ų121140.1 Ų140.173%0.73371%0.708SS**  trans-123.186.5176.1-168.20000111.1
512P37.3Very low50.2Low99 Ų99139 Ų13964%0.64372%0.717SS**  trans-103.9128.1153.132.3-21.3000110.1
513D35Very low48.2Very low155 Ų155144 Ų14483%0.82974%0.737SS**SBendtrans53.383.3154.1-58-23.6000118.4
514C35.5Very low46.1Very low119 Ų119145 Ų14580%0.80475%0.745SS**  trans-164.9140.2139.3-99.80000109.8
515T37Very low44.4Very low103 Ų103148.8 Ų148.863%0.63276%0.762SS**  trans88.965.3173.175.30000117.5F517T515-F517 PolarHBondContact O-N 2.9Å
516L38.7Very low42.4Very low186 Ų186145 Ų14597%0.97476%0.758SS**THydrogen-bonded Turntrans-49.229.3133.8-101.3159.4000114.6
517F39.6Very low40.6Very low185 Ų185141.6 Ų141.681%0.81176%0.763SS**THydrogen-bonded Turntrans-134.20.1-168.4-113.2-89.3000116.2T515T515-F517 PolarHBondContact O-N 2.9Å
518L39.5Very low39.1Very low128 Ų128139.4 Ų139.467%0.6776%0.764SS**SBendtrans-119.96-179.3-87.4156.5000115.5F520L518-F520 VanDerWaalsContact C-N 3.26Å; L518-F520 PolarHBondContact O-N 3.49Å
519N39.7Very low37.8Very low161 Ų161145.4 Ų145.486%0.86177%0.773SS**THydrogen-bonded Turntrans-86.517.2170.2-81.7-17.2000114.1
520F36.8Very low36.9Very low190 Ų190140.6 Ų140.683%0.83378%0.778SS**THydrogen-bonded Turntrans-117.72.8179.7-124.1-92.5000115L518L518-F520 VanDerWaalsContact C-N 3.26Å; L518-F520 PolarHBondContact O-N 3.49Å
521L35.3Very low36.1Very low149 Ų149143.8 Ų143.878%0.7878%0.78SS**SBendtrans-128.36.8-173-128.895.5000117.7
522S36.2Very low35.6Very low106 Ų106144.1 Ų144.174%0.74177%0.774SS**SBendtrans-115.911.2169.863.90000114.1L524S522-L524 PolarHBondContact O-N 3.12Å; S522-L524 VanDerWaalsContact O-N 3.08Å
523L36Very low35.5Very low153 Ų153149.7 Ų149.780%0.80178%0.782SS**  trans-80.836.2168.5-136.7132.1000112.3
524L33.7Very low35.5Very low138 Ų138150.1 Ų150.172%0.72378%0.784SS**  trans-138.584.9172.6-88.6152.7000104.8S522S522-L524 PolarHBondContact O-N 3.12Å; S522-L524 VanDerWaalsContact O-N 3.08Å
525Q41.7Very low35.6Very low201 Ų201155.6 Ų155.694%0.93979%0.787SS**  cis27.350.435-87.6-170.4-17.400113.6
526G29.5Very low35.7Very low50 Ų50156.9 Ų156.952%0.51580%0.801SS.*  trans-157.289.6158.200000107.8
527S31.6Very low35.7Very low113 Ų113150.6 Ų150.679%0.7978%0.781SS**SBendtrans86.8124.4159.5-163.20000119.2
528S32.6Very low35.7Very low99 Ų99153.8 Ų153.869%0.69279%0.787SS**  trans79.484.8143.2-67.40000119
529R34.1Very low35.7Very low244 Ų244163.1 Ų163.192%0.92181%0.814SS**  175.966.1100.8-91.8171.1179.1-179.80.4110.3
530A33.1Very low35.5Very low109 Ų109163.2 Ų163.290%0.90181%0.811SS**  trans-88.896.6140.600000106.5
531R31.7Very low35.5Very low210 Ų210161.8 Ų161.879%0.79281%0.81SS**  trans-132.9120.7154-109-171.5-176.5178.50.1105.8
532E33.7Very low35.5Very low129 Ų129162.5 Ų162.560%0.60381%0.812SS**  trans71.1119.1148.6-66.6172.5-148.100115.6
533R34.8Very low35.4Very low215 Ų215165.8 Ų165.881%0.81182%0.816SS**  cis-157.3119.230.2-78.5114-169-142.27.6109.2
534L34.4Very low35.4Very low164 Ų164166.6 Ų166.686%0.85982%0.817SS**  trans-91153.3133.6-98139.6000105.9
535W37.3Very low35.5Very low234 Ų234168.5 Ų168.589%0.88682%0.823SS**  trans93.674-178.6-6270.7000115.5
536S40.1Very low35.1Very low130 Ų130166.2 Ų166.291%0.90982%0.815SS**  trans-74.2108.8135.747.90000108.5
537G38.6Very low35.5Very low54 Ų54175.2 Ų175.256%0.55784%0.838SS**  trans-129.1126.5160.800000107.8
538R38.8Very low35.8Very low252 Ų252180.3 Ų180.395%0.95184%0.842SS**  trans65.4110.3174.6-53.3177.3-177.1-163.60.3112.8
539R40.7Very low36.1Very low324 Ų324187.7 Ų187.7100%1.22386%0.856SS**  cis-161.2047.8-105.3-179.7-178.4-178.91.2107.9

Retrieved 539 of 539 residues in 223.3 ms (Link to these results)

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