A0A077ZB44_TRITR Loading...

WD40 repeat-containing protein SMU1

AlphaFold DB , UniProt , Accession A0A077ZB44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 510 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
1M38.2Very low59.7Low226 Ų226121.5 Ų121.5100%1.11366%0.656SS**  0109.70-73.8177.7-175.100106.8T3M1-T3 PolarHBondContact O-N 2.63Å
2T36.1Very low61.5Low132 Ų132114.3 Ų114.381%0.8162%0.616SS**  trans-57.2116.9168.6420000106.9I4T2-I4 PolarHBondContact O-N 2.72Å
3T41.5Very low62.9Low116 Ų116108.2 Ų108.271%0.71259%0.587SS**  trans-61.6105.9174.740.10000106.9M1 E5M1-T3 PolarHBondContact O-N 2.63Å; T3-E5 PolarHBondContact O-N 3.13Å
4I54.1Low64.1Low145 Ų145103.1 Ų103.174%0.74456%0.559SS**  trans-67.8104.5173.5-59.6170.9000104.9T2 I6T2-I4 PolarHBondContact O-N 2.72Å; I4-I6 HydrophobicContact CG2-CG1 4.24Å; I4-I6 PolarHBondContact O-N 2.92Å
5E49.3Very low65.3Low179 Ų179100.8 Ų100.884%0.83655%0.545SS*.  trans-70.2107.4170.1-70.3-176167.400106.6T3T3-E5 PolarHBondContact O-N 3.13Å
6I62.5Low66.4Low113 Ų11394.5 Ų94.558%0.57951%0.511SS*.  trans-86.9120.5174.3-57.2171.7000105.8I4 I11I4-I6 HydrophobicContact CG2-CG1 4.24Å; I4-I6 PolarHBondContact O-N 2.92Å; I6-I11 HydrophobicContact CB-CD1 4.49Å; I6-I11 HydrophobicContact CG2-CD1 3.87Å; I6-I11 HydrophobicContact CG2-CG1 3.63Å
7E70.5Confident67.2Low130 Ų13090.1 Ų90.161%0.60749%0.486SS*.  trans-65.4138.9175.2-66.2-160.416500110.3T9 D10 I11E7-T9 VanDerWaalsContact CB-OG1 3.24Å; E7-T9 WeakPolarHBondContact CB-OG1 3.43Å; E7-T9 PolarHBondContact O-N 3.39Å; E7-T9 PolarHBondContact OE2-OG1 3.47Å; E7-D10 PolarHBondContact O-N 2.97Å; E7-D10 VanDerWaalsContact O-N 3.14Å; E7-I11 PolarHBondContact O-N 3.08Å
8A74Confident68.1Low69 Ų6987.9 Ų87.957%0.5747%0.471SS*.Hα-helixtrans-60.5-29.7179.900000112.1I11 I12A8-I11 PolarHBondContact O-N 3.48Å; A8-I12 VanDerWaalsContact O-CG1 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.15Å; A8-I12 PolarHBondContact O-N 3.4Å
9T77.4Confident68.9Low54 Ų5484.2 Ų84.233%0.33145%0.451SS..Hα-helixtrans-56.6-47.8174430000111.8E7 I11 I12 C13 I37E7-T9 VanDerWaalsContact CB-OG1 3.24Å; E7-T9 WeakPolarHBondContact CB-OG1 3.43Å; E7-T9 PolarHBondContact O-N 3.39Å; E7-T9 PolarHBondContact OE2-OG1 3.47Å; T9-I11 VanDerWaalsContact C-N 3.32Å; T9-I11 PolarHBondContact O-N 3.19Å; T9-I12 PolarHBondContact O-N 3.38Å; T9-C13 PolarHBondContact O-N 3.34Å; T9-C13 PolarHBondContact O-SG 3.2Å; T9-C13 VanDerWaalsContact O-SG 3.33Å; T9-I37 HydrophobicContact CG2-CD1 3.95Å
10D76.2Confident69.5Low93 Ų9384.5 Ų84.550%0.49745%0.448SS..Hα-helixtrans-63.8-37.9179.8-71.1-20.3000112.2E7 C13 L14E7-D10 PolarHBondContact O-N 2.97Å; E7-D10 VanDerWaalsContact O-N 3.14Å; D10-C13 PolarHBondContact O-N 2.91Å; D10-L14 PolarHBondContact O-N 2.59Å
11I77.4Confident70Confident80 Ų8083.6 Ų83.641%0.4144%0.442SS..Hα-helixtrans-66.3-43.8176.6-58.7175.3000110.2I6 E7 A8 T9 C13 L14 I15I6-I11 HydrophobicContact CB-CD1 4.49Å; I6-I11 HydrophobicContact CG2-CD1 3.87Å; I6-I11 HydrophobicContact CG2-CG1 3.63Å; E7-I11 PolarHBondContact O-N 3.08Å; A8-I11 PolarHBondContact O-N 3.48Å; T9-I11 VanDerWaalsContact C-N 3.32Å; T9-I11 PolarHBondContact O-N 3.19Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 3.34Å; I11-L14 WeakPolarHBondContact O-CB 3.19Å; I11-L14 PolarHBondContact O-N 3.26Å; I11-I15 HydrophobicContact CG2-CD1 4.02Å; I11-I15 WeakPolarHBondContact O-CG1 3.07Å; I11-I15 PolarHBondContact O-N 2.89Å
12I81.5Confident72.2Confident35 Ų3577.9 Ų77.918%0.17941%0.412CS..Hα-helixtrans-62.9-42.8177.8-68.3164.6000110.1A8 T9 L14 I15 Q16 V31 T35 I37A8-I12 VanDerWaalsContact O-CG1 3.28Å; A8-I12 WeakPolarHBondContact O-CG1 3.15Å; A8-I12 PolarHBondContact O-N 3.4Å; T9-I12 PolarHBondContact O-N 3.38Å; I12-L14 PolarHBondContact O-N 2.96Å; I12-I15 PolarHBondContact O-N 3.48Å; I12-Q16 HydrophobicContact CG2-CG 4.38Å; I12-Q16 WeakPolarHBondContact O-CG 3.35Å; I12-Q16 PolarHBondContact O-N 2.96Å; I12-V31 HydrophobicContact CG2-CG1 4.3Å; I12-T35 HydrophobicContact CD1-CG2 3.92Å; I12-T35 HydrophobicContact CG1-CG2 4.37Å; I12-T35 HydrophobicContact CG2-CG2 4.04Å; I12-I37 HydrophobicContact CB-CD1 4.3Å; I12-I37 HydrophobicContact CD1-CD1 3.58Å; I12-I37 HydrophobicContact CG2-CB 4.26Å; I12-I37 HydrophobicContact CG2-CD1 4.18Å; I12-I37 HydrophobicContact CG2-CG2 4.36Å
13C78.7Confident74.5Confident35 Ų3578.4 Ų78.424%0.23641%0.41CS..Hα-helixtrans-59.9-43.3174.3-70.80000112.1T9 D10 I11 I15 Q16 Q17 M39T9-C13 PolarHBondContact O-N 3.34Å; T9-C13 PolarHBondContact O-SG 3.2Å; T9-C13 VanDerWaalsContact O-SG 3.33Å; D10-C13 PolarHBondContact O-N 2.91Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 3.34Å; C13-I15 VanDerWaalsContact C-N 3.35Å; C13-I15 PolarHBondContact O-N 3.39Å; C13-Q16 PolarHBondContact O-N 3.26Å; C13-Q17 WeakPolarHBondContact O-CB 3.33Å; C13-Q17 PolarHBondContact O-N 3.44Å; C13-M39 HydrophobicContact CB-CG 4.2Å; C13-M39 HydrophobicContact CB-SD 4.09Å
14L79.5Confident76.5Confident37 Ų3776.4 Ų76.419%0.19439%0.394CS..Hα-helixtrans-60.2-41.3174.4-91.5160.7000112.9D10 I11 I12 Q17 F18 R161 L162 L165D10-L14 PolarHBondContact O-N 2.59Å; I11-L14 WeakPolarHBondContact O-CB 3.19Å; I11-L14 PolarHBondContact O-N 3.26Å; I12-L14 PolarHBondContact O-N 2.96Å; L14-Q17 PolarHBondContact O-N 3.25Å; L14-F18 PolarHBondContact O-N 3.05Å; L14-R161 HydrophobicContact CD2-CB 3.67Å; L14-R161 HydrophobicContact CD2-CG 3.79Å; L14-L162 HydrophobicContact CB-CD1 4.08Å; L14-L162 HydrophobicContact CD2-CB 4.15Å; L14-L165 HydrophobicContact CD1-CD1 4.1Å; L14-L165 HydrophobicContact CD2-CD1 4.46Å
15I82.5Confident77.8Confident68 Ų6873.7 Ų73.735%0.34939%0.386SS..Hα-helixtrans-67.3-45.9176.8-67.2166.3000110.2I11 I12 C13 Q17 F18 L19 L162I11-I15 HydrophobicContact CG2-CD1 4.02Å; I11-I15 WeakPolarHBondContact O-CG1 3.07Å; I11-I15 PolarHBondContact O-N 2.89Å; I12-I15 PolarHBondContact O-N 3.48Å; C13-I15 VanDerWaalsContact C-N 3.35Å; C13-I15 PolarHBondContact O-N 3.39Å; I15-Q17 VanDerWaalsContact C-N 3.29Å; I15-Q17 PolarHBondContact O-N 3.23Å; I15-F18 WeakPolarHBondContact O-CB 3.42Å; I15-F18 PolarHBondContact O-N 3.27Å; I15-L19 HydrophobicContact CG2-CD1 4.1Å; I15-L19 HydrophobicContact CG2-CG 4.4Å; I15-L19 WeakPolarHBondContact O-CG 3.31Å; I15-L19 PolarHBondContact O-N 2.76Å; I15-L162 HydrophobicContact CG1-CD1 4.25Å
16Q83Confident79.5Confident0 Ų071.3 Ų71.30%038%0.379CS..Hα-helixtrans-59.9-41.3176.7-72.4-175.723.300111.3I12 C13 F18 L19 K20 L28 V31 Q32 I37 M39I12-Q16 HydrophobicContact CG2-CG 4.38Å; I12-Q16 WeakPolarHBondContact O-CG 3.35Å; I12-Q16 PolarHBondContact O-N 2.96Å; C13-Q16 PolarHBondContact O-N 3.26Å; Q16-F18 PolarHBondContact O-N 2.7Å; Q16-L19 PolarHBondContact O-N 3.24Å; Q16-K20 WeakPolarHBondContact O-CB 3.4Å; Q16-K20 PolarHBondContact O-N 3.43Å; Q16-L28 HydrophobicContact CB-CD1 3.87Å; Q16-L28 HydrophobicContact CG-CD1 4.34Å; Q16-L28 WeakPolarHBondContact O-CD1 3.29Å; Q16-V31 HydrophobicContact CG-CG1 3.86Å; Q16-Q32 HydrophobicContact CG-CG 4.45Å; Q16-Q32 VanDerWaalsContact OE1-NE2 3.14Å; Q16-I37 PolarHBondContact NE2-O 3Å; Q16-M39 HydrophobicContact CB-CE 4.04Å; Q16-M39 HydrophobicContact CB-CG 4.01Å
17Q79.7Confident80.7Confident20 Ų2068.6 Ų68.69%0.09337%0.37CS..Hα-helixtrans-60.7-45.9175.3-178.363.713.900111.5C13 L14 I15 L19 K20 E21 M39 V157C13-Q17 WeakPolarHBondContact O-CB 3.33Å; C13-Q17 PolarHBondContact O-N 3.44Å; L14-Q17 PolarHBondContact O-N 3.25Å; I15-Q17 VanDerWaalsContact C-N 3.29Å; I15-Q17 PolarHBondContact O-N 3.23Å; Q17-L19 VanDerWaalsContact C-N 3.35Å; Q17-L19 PolarHBondContact O-N 3.42Å; Q17-K20 WeakPolarHBondContact O-CB 3.49Å; Q17-K20 PolarHBondContact O-N 2.89Å; Q17-E21 VanDerWaalsContact CG-OE1 3.29Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.48Å; Q17-E21 PolarHBondContact NE2-OE1 3.02Å; Q17-E21 WeakPolarHBondContact O-CG 3.36Å; Q17-E21 PolarHBondContact O-N 2.88Å; Q17-M39 VanDerWaalsContact CA-CE 3.43Å; Q17-M39 HydrophobicContact CB-CE 3.65Å; Q17-M39 HydrophobicContact CB-SD 4.34Å; Q17-M39 HydrophobicContact CG-CE 4.48Å; Q17-M39 VanDerWaalsContact N-CE 3.32Å; Q17-M39 VanDerWaalsContact OE1-CE 3.23Å; Q17-V157 HydrophobicContact CB-CG1 4.13Å; Q17-V157 HydrophobicContact CG-CB 4.24Å; Q17-V157 HydrophobicContact CG-CG1 3.74Å
18F83.4Confident81.4Confident51 Ų5164 Ų6422%0.22435%0.35CS..Hα-helixtrans-59-45.4175.7175.1-91.9000112L14 I15 Q16 K20 E21 H22 L162 V163L14-F18 PolarHBondContact O-N 3.05Å; I15-F18 WeakPolarHBondContact O-CB 3.42Å; I15-F18 PolarHBondContact O-N 3.27Å; Q16-F18 PolarHBondContact O-N 2.7Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 2.71Å; F18-E21 PolarHBondContact O-N 3.46Å; F18-H22 AromaticContact CD2-CD2 3.48Å; F18-H22 VanDerWaalsContact CD2-CD2 3.48Å; F18-H22 WeakPolarHBondContact CD2-CD2 3.49Å; F18-H22 AromaticContact CD2-NE2 3.69Å; F18-H22 AromaticContact CE1-CD2 3.82Å; F18-H22 AromaticContact CE2-CD2 3.17Å; F18-H22 WeakPolarHBondContact CE2-CD2 3.44Å; F18-H22 AromaticContact CE2-NE2 3.11Å; F18-H22 WeakPolarHBondContact CE2-NE2 3.31Å; F18-H22 AromaticContact CG-CD2 3.94Å; F18-H22 AromaticContact CZ-CD2 3.35Å; F18-H22 WeakPolarHBondContact CZ-CD2 3.38Å; F18-H22 AromaticContact CZ-NE2 3.57Å; F18-H22 PolarHBondContact O-CD2 2.64Å; F18-H22 VanDerWaalsContact O-CD2 3.3Å; F18-H22 PolarHBondContact O-N 3.44Å; F18-L162 HydrophobicContact CB-CB 4.5Å; F18-L162 HydrophobicContact CB-CD2 4.29Å; F18-L162 HydrophobicContact CD2-CD2 3.79Å; F18-L162 HydrophobicContact CE2-CD2 4.31Å; F18-L162 HydrophobicContact CG-CD2 4.04Å; F18-V163 HydrophobicContact CD2-CG2 4.25Å; F18-V163 HydrophobicContact CE2-CG2 4.05Å
19L84.4Confident81.8Confident17 Ų1768.2 Ų68.29%0.08935%0.351CS..Hα-helixtrans-62.2-37.5177.4-67173000111.9I15 Q16 Q17 N23 L24 L28 V31I15-L19 HydrophobicContact CG2-CD1 4.1Å; I15-L19 HydrophobicContact CG2-CG 4.4Å; I15-L19 WeakPolarHBondContact O-CG 3.31Å; I15-L19 PolarHBondContact O-N 2.76Å; Q16-L19 PolarHBondContact O-N 3.24Å; Q17-L19 VanDerWaalsContact C-N 3.35Å; Q17-L19 PolarHBondContact O-N 3.42Å; L19-N23 PolarHBondContact O-N 3.46Å; L19-L24 HydrophobicContact CB-CB 4.43Å; L19-L24 HydrophobicContact CD2-CB 4.08Å; L19-L24 HydrophobicContact CD2-CD1 3.71Å; L19-L24 PolarHBondContact O-N 3.19Å; L19-L28 HydrophobicContact CB-CB 4.27Å; L19-L28 HydrophobicContact CB-CD1 4.07Å; L19-V31 HydrophobicContact CD1-CB 4.47Å; L19-V31 HydrophobicContact CD1-CG2 3.94Å
20K79.7Confident82.3Confident89 Ų8967.6 Ų67.639%0.38735%0.351SS..Hα-helixtrans-65.6-47.1175.1-167.9-175.3-178.2-168.40111.3Q16 Q17 F18 H22 N23 L28 T41Q16-K20 WeakPolarHBondContact O-CB 3.4Å; Q16-K20 PolarHBondContact O-N 3.43Å; Q17-K20 WeakPolarHBondContact O-CB 3.49Å; Q17-K20 PolarHBondContact O-N 2.89Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 2.71Å; K20-H22 VanDerWaalsContact C-N 3.27Å; K20-H22 PolarHBondContact O-N 3.25Å; K20-N23 PolarHBondContact O-N 3.45Å; K20-L28 HydrophobicContact CB-CD1 4.28Å; K20-T41 PolarHBondContact NZ-OG1 3.12Å
21E81.1Confident82.7Confident67 Ų6764.8 Ų64.831%0.31334%0.337SS..Hα-helixtrans-61.4-34.3178.6-75.8172.1-162.600113Q17 F18 P159 S160Q17-E21 VanDerWaalsContact CG-OE1 3.29Å; Q17-E21 WeakPolarHBondContact CG-OE1 3.48Å; Q17-E21 PolarHBondContact NE2-OE1 3.02Å; Q17-E21 WeakPolarHBondContact O-CG 3.36Å; Q17-E21 PolarHBondContact O-N 2.88Å; F18-E21 PolarHBondContact O-N 3.46Å; E21-P159 WeakPolarHBondContact OE1-CA 3.38Å; E21-S160 VanDerWaalsContact CD-N 3.31Å; E21-S160 PolarHBondContact OE1-N 3.16Å; E21-S160 WeakPolarHBondContact OE2-CA 3.48Å; E21-S160 PolarHBondContact OE2-N 3.29Å
22H83.6Confident83.1Confident105 Ų10563.1 Ų63.149%0.48633%0.328SS..THydrogen-bonded Turntrans-92.211.9-179.4-75.7-74.8000114.4F18 K20 L24F18-H22 AromaticContact CD2-CD2 3.48Å; F18-H22 VanDerWaalsContact CD2-CD2 3.48Å; F18-H22 WeakPolarHBondContact CD2-CD2 3.49Å; F18-H22 AromaticContact CD2-NE2 3.69Å; F18-H22 AromaticContact CE1-CD2 3.82Å; F18-H22 AromaticContact CE2-CD2 3.17Å; F18-H22 WeakPolarHBondContact CE2-CD2 3.44Å; F18-H22 AromaticContact CE2-NE2 3.11Å; F18-H22 WeakPolarHBondContact CE2-NE2 3.31Å; F18-H22 AromaticContact CG-CD2 3.94Å; F18-H22 AromaticContact CZ-CD2 3.35Å; F18-H22 WeakPolarHBondContact CZ-CD2 3.38Å; F18-H22 AromaticContact CZ-NE2 3.57Å; F18-H22 PolarHBondContact O-CD2 2.64Å; F18-H22 VanDerWaalsContact O-CD2 3.3Å; F18-H22 PolarHBondContact O-N 3.44Å; K20-H22 VanDerWaalsContact C-N 3.27Å; K20-H22 PolarHBondContact O-N 3.25Å; H22-L24 HydrophobicContact CB-CD1 4.18Å; H22-L24 HydrophobicContact CB-CG 4.32Å; H22-L24 PolarHBondContact O-N 3.03Å
23N83.6Confident83.3Confident144 Ų14468.4 Ų68.477%0.7735%0.351SS*.THydrogen-bonded Turntrans53.848.1-179.8-85.8-19000113.2L19 K20 P25L19-N23 PolarHBondContact O-N 3.46Å; K20-N23 PolarHBondContact O-N 3.45Å; N23-P25 WeakPolarHBondContact O-CD 3.48Å
24L84.3Confident83.6Confident74 Ų7474.9 Ų74.939%0.38738%0.378SS..  trans-108.671176.3-63.7171000111.1L19 H22 N26 S27 L28L19-L24 HydrophobicContact CB-CB 4.43Å; L19-L24 HydrophobicContact CD2-CB 4.08Å; L19-L24 HydrophobicContact CD2-CD1 3.71Å; L19-L24 PolarHBondContact O-N 3.19Å; H22-L24 HydrophobicContact CB-CD1 4.18Å; H22-L24 HydrophobicContact CB-CG 4.32Å; H22-L24 PolarHBondContact O-N 3.03Å; L24-N26 PolarHBondContact O-N 3.48Å; L24-S27 PolarHBondContact O-N 3.34Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 PolarHBondContact O-N 3.41Å
25P81.7Confident83.8Confident88 Ų8875.6 Ų75.657%0.57138%0.384SS*.Hα-helixtrans-68.2-34.5-169.927.7-36.2000113.4N23 L28 R29N23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-L28 PolarHBondContact O-N 3.23Å; P25-R29 WeakPolarHBondContact O-CB 3.46Å; P25-R29 PolarHBondContact O-N 3.32Å
26N85.6Confident83.7Confident128 Ų12875.5 Ų75.568%0.68440%0.4SS*.Hα-helixtrans-67.9-43.6179.7-66.4-13.5000111.1L24 R29 A30L24-N26 PolarHBondContact O-N 3.48Å; N26-R29 PolarHBondContact O-N 2.86Å; N26-A30 WeakPolarHBondContact O-CB 3.45Å; N26-A30 PolarHBondContact O-N 3.41Å
27S87Confident83.5Confident56 Ų5677.6 Ų77.639%0.39241%0.411SS..Hα-helixtrans-66.8-41.4176.6-54.60000111.4L24 R29 A30 V31L24-S27 PolarHBondContact O-N 3.34Å; S27-R29 VanDerWaalsContact C-N 3.34Å; S27-R29 PolarHBondContact O-N 2.75Å; S27-A30 PolarHBondContact O-N 2.9Å; S27-V31 VanDerWaalsContact O-CG2 3.3Å; S27-V31 WeakPolarHBondContact O-CG2 3.45Å; S27-V31 PolarHBondContact O-N 3.33Å
28L84.7Confident83.1Confident34 Ų3478.5 Ų78.518%0.17842%0.42CS..Hα-helixtrans-57.1-49174.9-175.688.5000110.9Q16 L19 K20 L24 P25 V31 Q32Q16-L28 HydrophobicContact CB-CD1 3.87Å; Q16-L28 HydrophobicContact CG-CD1 4.34Å; Q16-L28 WeakPolarHBondContact O-CD1 3.29Å; L19-L28 HydrophobicContact CB-CB 4.27Å; L19-L28 HydrophobicContact CB-CD1 4.07Å; K20-L28 HydrophobicContact CB-CD1 4.28Å; L24-L28 WeakPolarHBondContact O-CB 3.49Å; L24-L28 PolarHBondContact O-N 3.41Å; P25-L28 PolarHBondContact O-N 3.23Å; L28-V31 PolarHBondContact O-N 3.41Å; L28-Q32 WeakPolarHBondContact O-CG 3.46Å; L28-Q32 PolarHBondContact O-N 2.93Å
29R83.7Confident82.6Confident158 Ų15876.9 Ų76.960%0.59641%0.413SS*.Hα-helixtrans-62.5-46.6179.9-174.7-180-68.3165.2-1.9111.6P25 N26 S27 V31 Q32 E33P25-R29 WeakPolarHBondContact O-CB 3.46Å; P25-R29 PolarHBondContact O-N 3.32Å; N26-R29 PolarHBondContact O-N 2.86Å; S27-R29 VanDerWaalsContact C-N 3.34Å; S27-R29 PolarHBondContact O-N 2.75Å; R29-V31 VanDerWaalsContact C-N 3.34Å; R29-V31 PolarHBondContact O-N 3.24Å; R29-Q32 PolarHBondContact O-N 3.25Å; R29-E33 WeakPolarHBondContact CD-OE1 3.31Å; R29-E33 HydrophobicContact CG-CG 4.32Å; R29-E33 VanDerWaalsContact CG-OE1 3.27Å; R29-E33 WeakPolarHBondContact CG-OE1 3.41Å; R29-E33 WeakPolarHBondContact O-CB 3.44Å; R29-E33 WeakPolarHBondContact O-CG 3.41Å; R29-E33 PolarHBondContact O-N 2.85Å
30A86.7Confident82.2Confident40 Ų4077 Ų7733%0.33141%0.413SS..Hα-helixtrans-58.2-46177.800000111.7N26 S27 Q32 E33 E34N26-A30 WeakPolarHBondContact O-CB 3.45Å; N26-A30 PolarHBondContact O-N 3.41Å; S27-A30 PolarHBondContact O-N 2.9Å; A30-Q32 VanDerWaalsContact C-N 3.34Å; A30-Q32 PolarHBondContact O-N 3Å; A30-E33 PolarHBondContact O-N 3.09Å; A30-E34 WeakPolarHBondContact O-CB 3.47Å; A30-E34 WeakPolarHBondContact O-CG 3.4Å; A30-E34 PolarHBondContact O-N 3.25Å
31V85.6Confident82Confident35 Ų3573.3 Ų73.321%0.21240%0.398CS..Hα-helixtrans-62.8-41177.5172.40000111.2I12 Q16 L19 S27 L28 R29 T35I12-V31 HydrophobicContact CG2-CG1 4.3Å; Q16-V31 HydrophobicContact CG-CG1 3.86Å; L19-V31 HydrophobicContact CD1-CB 4.47Å; L19-V31 HydrophobicContact CD1-CG2 3.94Å; S27-V31 VanDerWaalsContact O-CG2 3.3Å; S27-V31 WeakPolarHBondContact O-CG2 3.45Å; S27-V31 PolarHBondContact O-N 3.33Å; L28-V31 PolarHBondContact O-N 3.41Å; R29-V31 VanDerWaalsContact C-N 3.34Å; R29-V31 PolarHBondContact O-N 3.24Å; V31-T35 HydrophobicContact CG1-CG2 4.17Å; V31-T35 VanDerWaalsContact O-CB 3.28Å; V31-T35 WeakPolarHBondContact O-CB 3.49Å; V31-T35 VanDerWaalsContact O-CG2 3.27Å; V31-T35 WeakPolarHBondContact O-CG2 3.18Å; V31-T35 PolarHBondContact O-N 2.7Å; V31-T35 PolarHBondContact O-OG1 3.28Å
32Q85.6Confident81.7Confident45 Ų4571.1 Ų71.121%0.2139%0.39CS..Hα-helixtrans-66.9-38177.4-73.6-179.2-16.900112.9Q16 L28 R29 A30 G36Q16-Q32 HydrophobicContact CG-CG 4.45Å; Q16-Q32 VanDerWaalsContact OE1-NE2 3.14Å; L28-Q32 WeakPolarHBondContact O-CG 3.46Å; L28-Q32 PolarHBondContact O-N 2.93Å; R29-Q32 PolarHBondContact O-N 3.25Å; A30-Q32 VanDerWaalsContact C-N 3.34Å; A30-Q32 PolarHBondContact O-N 3Å; Q32-G36 WeakPolarHBondContact O-CA 3.37Å; Q32-G36 PolarHBondContact O-N 2.76Å
33E85.2Confident81.3Confident145 Ų14573.3 Ų73.368%0.67841%0.405SS*.Hα-helixtrans-68.9-43.4177.2-74.4173.7-175.800111.7R29 A30R29-E33 WeakPolarHBondContact CD-OE1 3.31Å; R29-E33 HydrophobicContact CG-CG 4.32Å; R29-E33 VanDerWaalsContact CG-OE1 3.27Å; R29-E33 WeakPolarHBondContact CG-OE1 3.41Å; R29-E33 WeakPolarHBondContact O-CB 3.44Å; R29-E33 WeakPolarHBondContact O-CG 3.41Å; R29-E33 PolarHBondContact O-N 2.85Å; A30-E33 PolarHBondContact O-N 3.09Å
34E86.2Confident81.3Confident171 Ų17168.4 Ų68.480%0.79938%0.382SS*.Hα-helixtrans-73-38.5-179.6-72.2-175.3172.100112.9A30A30-E34 WeakPolarHBondContact O-CB 3.47Å; A30-E34 WeakPolarHBondContact O-CG 3.4Å; A30-E34 PolarHBondContact O-N 3.25Å
35T83.2Confident81.3Confident52 Ų5267.8 Ų67.832%0.31938%0.379SS..Hα-helixtrans-88.5-19.7-176.362.90000113.3I12 V31 I37I12-T35 HydrophobicContact CD1-CG2 3.92Å; I12-T35 HydrophobicContact CG1-CG2 4.37Å; I12-T35 HydrophobicContact CG2-CG2 4.04Å; V31-T35 HydrophobicContact CG1-CG2 4.17Å; V31-T35 VanDerWaalsContact O-CB 3.28Å; V31-T35 WeakPolarHBondContact O-CB 3.49Å; V31-T35 VanDerWaalsContact O-CG2 3.27Å; V31-T35 WeakPolarHBondContact O-CG2 3.18Å; V31-T35 PolarHBondContact O-N 2.7Å; V31-T35 PolarHBondContact O-OG1 3.28Å; T35-I37 PolarHBondContact O-N 3.08Å; T35-I37 VanDerWaalsContact O-N 3.14Å; T35-I37 PolarHBondContact OG1-N 3.14Å
36G80.6Confident81.6Confident66 Ų6671.6 Ų71.668%0.6839%0.389SS*.  trans672.7-171.900000114.2Q32Q32-G36 WeakPolarHBondContact O-CA 3.37Å; Q32-G36 PolarHBondContact O-N 2.76Å
37I78Confident81.7Confident44 Ų4468 Ų6823%0.22637%0.373CS..  trans-97.2119.9-178.7-63.6161.5000107.7T9 I12 Q16 T35T9-I37 HydrophobicContact CG2-CD1 3.95Å; I12-I37 HydrophobicContact CB-CD1 4.3Å; I12-I37 HydrophobicContact CD1-CD1 3.58Å; I12-I37 HydrophobicContact CG2-CB 4.26Å; I12-I37 HydrophobicContact CG2-CD1 4.18Å; I12-I37 HydrophobicContact CG2-CG2 4.36Å; Q16-I37 PolarHBondContact NE2-O 3Å; T35-I37 PolarHBondContact O-N 3.08Å; T35-I37 VanDerWaalsContact O-N 3.14Å; T35-I37 PolarHBondContact OG1-N 3.14Å
38S72.3Confident81.7Confident40 Ų4065.5 Ų65.528%0.2836%0.355SS..  trans-107.2130.7176.7540000111.4N40S38-N40 PolarHBondContact O-N 2.8Å
39M72.3Confident82Confident16 Ų1665.5 Ų65.58%0.07936%0.357CS..  trans-80.7106.4172.2-92.1-128.9-53.400112C13 Q16 Q17 T41 V157C13-M39 HydrophobicContact CB-CG 4.2Å; C13-M39 HydrophobicContact CB-SD 4.09Å; Q16-M39 HydrophobicContact CB-CE 4.04Å; Q16-M39 HydrophobicContact CB-CG 4.01Å; Q17-M39 VanDerWaalsContact CA-CE 3.43Å; Q17-M39 HydrophobicContact CB-CE 3.65Å; Q17-M39 HydrophobicContact CB-SD 4.34Å; Q17-M39 HydrophobicContact CG-CE 4.48Å; Q17-M39 VanDerWaalsContact N-CE 3.32Å; Q17-M39 VanDerWaalsContact OE1-CE 3.23Å; M39-T41 VanDerWaalsContact C-N 3.3Å; M39-T41 HydrophobicContact CB-CG2 4.11Å; M39-T41 HydrophobicContact CE-CG2 3.61Å; M39-T41 HydrophobicContact CG-CG2 4.33Å; M39-T41 PolarHBondContact O-N 3.47Å; M39-T41 HydrophobicContact SD-CG2 3.39Å; M39-T41 WeakPolarHBondContact SD-CG2 3.46Å; M39-V157 HydrophobicContact SD-CG2 4.02Å
40N76.1Confident82.4Confident19 Ų1961.2 Ų61.210%0.10235%0.351CS..  trans-87.269169.9-71.8-13.4000110.6S38 L67 K68 E153 V154 T155S38-N40 PolarHBondContact O-N 2.8Å; N40-L67 HydrophobicContact CB-CD2 4.16Å; N40-K68 PolarHBondContact ND2-O 3.18Å; N40-K68 PolarHBondContact OD1-N 2.91Å; N40-E153 WeakPolarHBondContact CB-O 3.39Å; N40-E153 PolarHBondContact ND2-O 3.42Å; N40-V154 WeakPolarHBondContact O-CA 3.37Å; N40-T155 PolarHBondContact O-N 3.42Å; N40-T155 PolarHBondContact O-OG1 3.46Å
41T74.6Confident82.7Confident12 Ų1261.6 Ų61.67%0.07435%0.348CS..BIsolated β-bridgetrans-97.7135.4-176.355.20000113.2K20 M39 T155 V157K20-T41 PolarHBondContact NZ-OG1 3.12Å; M39-T41 VanDerWaalsContact C-N 3.3Å; M39-T41 HydrophobicContact CB-CG2 4.11Å; M39-T41 HydrophobicContact CE-CG2 3.61Å; M39-T41 HydrophobicContact CG-CG2 4.33Å; M39-T41 PolarHBondContact O-N 3.47Å; M39-T41 HydrophobicContact SD-CG2 3.39Å; M39-T41 WeakPolarHBondContact SD-CG2 3.46Å; T41-T155 VanDerWaalsContact CA-O 3.27Å; T41-T155 WeakPolarHBondContact CA-O 3.44Å; T41-V157 HydrophobicContact CG2-CB 4.34Å; T41-V157 HydrophobicContact CG2-CG2 3.78Å
42V76Confident82.9Confident21 Ų2160 Ų6013%0.12734%0.338CS..  trans-125.6152.5168.6-179.10000109.4S44 F48 L67 V154 T155V42-S44 VanDerWaalsContact C-N 3.31Å; V42-S44 PolarHBondContact O-N 3.41Å; V42-F48 HydrophobicContact CG1-CB 3.94Å; V42-F48 HydrophobicContact CG1-CD2 4.3Å; V42-F48 HydrophobicContact CG1-CG 4.24Å; V42-L67 HydrophobicContact CG2-CD1 3.9Å; V42-V154 HydrophobicContact CB-CG1 3.49Å; V42-V154 VanDerWaalsContact CB-CG1 3.49Å; V42-V154 HydrophobicContact CG2-CB 4.4Å; V42-V154 HydrophobicContact CG2-CG1 3.27Å; V42-V154 HydrophobicContact CG2-CG2 4.22Å; V42-T155 PolarHBondContact N-O 2.99Å; V42-T155 VanDerWaalsContact N-O 3.11Å
43D74.3Confident83.2Confident152 Ų15261.9 Ų61.981%0.81335%0.346SS*.SBendtrans-61.7-38.6-173.7-61.1-31.1000112.7
44S83.5Confident83.5Confident41 Ų4157.3 Ų57.329%0.28733%0.333SS..  trans-152.7133.8170.3126.50000110.3V42 E46 S47 F48V42-S44 VanDerWaalsContact C-N 3.31Å; V42-S44 PolarHBondContact O-N 3.41Å; S44-E46 VanDerWaalsContact C-N 3.31Å; S44-E46 PolarHBondContact OG-N 2.88Å; S44-S47 VanDerWaalsContact CB-OG 3.31Å; S44-S47 WeakPolarHBondContact CB-OG 3.35Å; S44-S47 PolarHBondContact O-OG 2.94Å; S44-S47 WeakPolarHBondContact OG-CB 3.41Å; S44-S47 PolarHBondContact OG-N 2.9Å; S44-S47 PolarHBondContact OG-OG 3.44Å; S44-F48 WeakPolarHBondContact O-CB 3.3Å; S44-F48 PolarHBondContact O-N 2.73Å; S44-F48 VanDerWaalsContact O-N 3.16Å
45I84.9Confident83.5Confident61 Ų6149.9 Ų49.931%0.31330%0.303SS..Hα-helixtrans-66.8-37.2176.1-70.7159.3000110.2F48 V49 V154 V156I45-F48 PolarHBondContact O-N 2.82Å; I45-V49 HydrophobicContact CG2-CG2 4.07Å; I45-V49 VanDerWaalsContact O-CB 3.31Å; I45-V49 WeakPolarHBondContact O-CB 3.41Å; I45-V49 WeakPolarHBondContact O-CG2 3.28Å; I45-V49 PolarHBondContact O-N 2.65Å; I45-V154 HydrophobicContact CG1-CG1 4.45Å; I45-V156 HydrophobicContact CB-CG2 4.35Å; I45-V156 HydrophobicContact CD1-CG2 3.7Å; I45-V156 HydrophobicContact CG1-CG2 3.6Å
46E87.1Confident84Confident167 Ų16752.4 Ų52.478%0.7831%0.311SS*.Hα-helixtrans-66-47-177.6-66.1-179.2-177.400111.9S44 V49 S50S44-E46 VanDerWaalsContact C-N 3.31Å; S44-E46 PolarHBondContact OG-N 2.88Å; E46-V49 PolarHBondContact O-N 3.2Å; E46-S50 VanDerWaalsContact O-CB 3.27Å; E46-S50 WeakPolarHBondContact O-CB 3.46Å; E46-S50 PolarHBondContact O-N 3.32Å
47S87.9Confident84.4Confident52 Ų5250.4 Ų50.436%0.36428%0.283SS..Hα-helixtrans-62.1-45.417557.40000111.3S44 V49 S50 D51S44-S47 VanDerWaalsContact CB-OG 3.31Å; S44-S47 WeakPolarHBondContact CB-OG 3.35Å; S44-S47 PolarHBondContact O-OG 2.94Å; S44-S47 WeakPolarHBondContact OG-CB 3.41Å; S44-S47 PolarHBondContact OG-N 2.9Å; S44-S47 PolarHBondContact OG-OG 3.44Å; S47-V49 PolarHBondContact O-N 2.7Å; S47-S50 WeakPolarHBondContact O-CB 3.26Å; S47-S50 PolarHBondContact O-N 2.89Å; S47-S50 VanDerWaalsContact O-N 3.16Å; S47-D51 VanDerWaalsContact O-CG 3.23Å; S47-D51 PolarHBondContact O-N 3.33Å
48F87.9Confident84.9Confident4 Ų454.1 Ų54.12%0.01830%0.303CS..Hα-helixtrans-60.8-43.7177.7179.7-108.5000112.6V42 S44 I45 D51 I52 V60 A63 I64 L150 V154V42-F48 HydrophobicContact CG1-CB 3.94Å; V42-F48 HydrophobicContact CG1-CD2 4.3Å; V42-F48 HydrophobicContact CG1-CG 4.24Å; S44-F48 WeakPolarHBondContact O-CB 3.3Å; S44-F48 PolarHBondContact O-N 2.73Å; S44-F48 VanDerWaalsContact O-N 3.16Å; I45-F48 PolarHBondContact O-N 2.82Å; F48-D51 PolarHBondContact O-N 3.04Å; F48-I52 HydrophobicContact CD1-CD1 4.04Å; F48-I52 HydrophobicContact CE1-CD1 3.63Å; F48-I52 HydrophobicContact CE2-CD1 4.39Å; F48-I52 HydrophobicContact CZ-CD1 3.83Å; F48-I52 WeakPolarHBondContact O-CG1 3.48Å; F48-I52 PolarHBondContact O-N 3.27Å; F48-V60 HydrophobicContact CE2-CG1 4.18Å; F48-A63 HydrophobicContact CD2-CB 4.11Å; F48-A63 HydrophobicContact CE2-CB 4Å; F48-I64 HydrophobicContact CE2-CD1 4.23Å; F48-I64 HydrophobicContact CE2-CG1 3.95Å; F48-I64 HydrophobicContact CZ-CD1 3.9Å; F48-I64 HydrophobicContact CZ-CG1 3.83Å; F48-L150 HydrophobicContact CE1-CB 3.97Å; F48-L150 HydrophobicContact CZ-CB 4.41Å; F48-L150 HydrophobicContact CZ-CD1 4.46Å; F48-V154 HydrophobicContact CE1-CG2 4.34Å
49V91.2Very high85.7Confident34 Ų3455.3 Ų55.321%0.20631%0.309CS..Hα-helixtrans-64.7-42.1175.11680000110.6I45 E46 S47 D51 I52 H53 A147I45-V49 HydrophobicContact CG2-CG2 4.07Å; I45-V49 VanDerWaalsContact O-CB 3.31Å; I45-V49 WeakPolarHBondContact O-CB 3.41Å; I45-V49 WeakPolarHBondContact O-CG2 3.28Å; I45-V49 PolarHBondContact O-N 2.65Å; E46-V49 PolarHBondContact O-N 3.2Å; S47-V49 PolarHBondContact O-N 2.7Å; V49-D51 VanDerWaalsContact C-N 3.35Å; V49-D51 PolarHBondContact O-N 2.72Å; V49-I52 PolarHBondContact O-N 2.63Å; V49-H53 VanDerWaalsContact CG1-CE1 3.45Å; V49-H53 WeakPolarHBondContact CG1-CE1 3.49Å; V49-H53 WeakPolarHBondContact CG1-ND1 3.32Å; V49-H53 PolarHBondContact O-N 3.03Å; V49-H53 PolarHBondContact O-ND1 3.36Å; V49-A147 HydrophobicContact CG1-CB 4.22Å
50S91.9Very high86.6Confident69 Ų6954.6 Ų54.648%0.48331%0.305SS..Hα-helixtrans-60.9-42.6176.6-178.30000111.8E46 S47 I52 H53 A54E46-S50 VanDerWaalsContact O-CB 3.27Å; E46-S50 WeakPolarHBondContact O-CB 3.46Å; E46-S50 PolarHBondContact O-N 3.32Å; S47-S50 WeakPolarHBondContact O-CB 3.26Å; S47-S50 PolarHBondContact O-N 2.89Å; S47-S50 VanDerWaalsContact O-N 3.16Å; S50-I52 VanDerWaalsContact C-N 3.32Å; S50-I52 PolarHBondContact O-N 2.86Å; S50-H53 PolarHBondContact O-N 3.27Å; S50-A54 WeakPolarHBondContact O-CB 3.46Å; S50-A54 PolarHBondContact O-N 3.45Å
51D91.6Very high87.2Confident48 Ų4855.8 Ų55.826%0.25731%0.311SS..Hα-helixtrans-63.8-37.1179-69.4-31.1000112.1S47 F48 V49 A54 G55 H56 V60S47-D51 VanDerWaalsContact O-CG 3.23Å; S47-D51 PolarHBondContact O-N 3.33Å; F48-D51 PolarHBondContact O-N 3.04Å; V49-D51 VanDerWaalsContact C-N 3.35Å; V49-D51 PolarHBondContact O-N 2.72Å; D51-A54 PolarHBondContact O-N 3.41Å; D51-G55 PolarHBondContact O-N 3.47Å; D51-H56 HydrophobicContact CB-CB 4.44Å; D51-H56 PolarHBondContact O-N 2.87Å; D51-H56 IonicContact OD1-ND1 2.79Å; D51-V60 HydrophobicContact CB-CG2 3.96Å
52I91.2Very high87.8Confident0 Ų062.5 Ų62.50%034%0.34CS..Hα-helixtrans-67.2-42.8173.4-63165.9000111F48 V49 S50 A54 G55 W57 V60 I146 A147 L150F48-I52 HydrophobicContact CD1-CD1 4.04Å; F48-I52 HydrophobicContact CE1-CD1 3.63Å; F48-I52 HydrophobicContact CE2-CD1 4.39Å; F48-I52 HydrophobicContact CZ-CD1 3.83Å; F48-I52 WeakPolarHBondContact O-CG1 3.48Å; F48-I52 PolarHBondContact O-N 3.27Å; V49-I52 PolarHBondContact O-N 2.63Å; S50-I52 VanDerWaalsContact C-N 3.32Å; S50-I52 PolarHBondContact O-N 2.86Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 3.34Å; I52-G55 PolarHBondContact O-N 3.12Å; I52-W57 HydrophobicContact CG2-CH2 4.22Å; I52-W57 HydrophobicContact CG2-CZ3 4.16Å; I52-V60 HydrophobicContact CD1-CG1 4.48Å; I52-V60 HydrophobicContact CG1-CG1 3.92Å; I52-V60 HydrophobicContact CG1-CG2 3.71Å; I52-I146 HydrophobicContact CG2-CG2 4.48Å; I52-A147 HydrophobicContact CB-CB 4.07Å; I52-A147 HydrophobicContact CD1-CB 4.24Å; I52-A147 HydrophobicContact CG2-CB 3.78Å; I52-L150 HydrophobicContact CD1-CB 4.47Å; I52-L150 HydrophobicContact CD1-CD1 3.9Å
53H91.8Very high88.2Confident85 Ų8563.1 Ų63.139%0.39435%0.347SS..Hα-helixtrans-64.1-39.8177.4-76.685.9000111.7V49 S50 G55 R143V49-H53 VanDerWaalsContact CG1-CE1 3.45Å; V49-H53 WeakPolarHBondContact CG1-CE1 3.49Å; V49-H53 WeakPolarHBondContact CG1-ND1 3.32Å; V49-H53 PolarHBondContact O-N 3.03Å; V49-H53 PolarHBondContact O-ND1 3.36Å; S50-H53 PolarHBondContact O-N 3.27Å; H53-G55 VanDerWaalsContact C-N 3.31Å; H53-R143 WeakPolarHBondContact O-CD 3.32Å; H53-R143 PolarHBondContact O-NH1 3.31Å
54A90.1Very high88.8Confident49 Ų4956.3 Ų56.341%0.40531%0.31SS..Hα-helixtrans-70.2-27175.800000112.7S50 D51 I52 R143S50-A54 WeakPolarHBondContact O-CB 3.46Å; S50-A54 PolarHBondContact O-N 3.45Å; D51-A54 PolarHBondContact O-N 3.41Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 3.34Å; A54-R143 PolarHBondContact O-NH1 3.24Å
55G88.1Confident88.8Confident15 Ų1562.3 Ų62.316%0.15533%0.334CS..THydrogen-bonded Turntrans82.629.5-176.900000113.1D51 I52 H53 W57D51-G55 PolarHBondContact O-N 3.47Å; I52-G55 PolarHBondContact O-N 3.12Å; H53-G55 VanDerWaalsContact C-N 3.31Å; G55-W57 VanDerWaalsContact O-CD1 3.25Å; G55-W57 PolarHBondContact O-N 3.41Å; G55-W57 PolarHBondContact O-NE1 3.38Å
56H91.7Very high88.6Confident106 Ų10664.3 Ų64.349%0.49135%0.351SS..  trans-7865.5174.4-63.9136.7000110.6D51 D58 T59 V60D51-H56 HydrophobicContact CB-CB 4.44Å; D51-H56 PolarHBondContact O-N 2.87Å; D51-H56 IonicContact OD1-ND1 2.79Å; H56-D58 PolarHBondContact O-N 3.14Å; H56-D58 VanDerWaalsContact O-N 3.09Å; H56-T59 WeakPolarHBondContact CB-OG1 3.14Å; H56-T59 PolarHBondContact O-N 3.22Å; H56-T59 PolarHBondContact O-OG1 3.37Å; H56-V60 PolarHBondContact O-N 2.88Å
57W89.6Confident88.3Confident23 Ų2357.2 Ų57.29%0.08732%0.318CS..Hα-helixtrans-57.7-30-170.9-56.7121000114I52 G55 T59 V60 L61 L77 Q80 I81 E84 R143I52-W57 HydrophobicContact CG2-CH2 4.22Å; I52-W57 HydrophobicContact CG2-CZ3 4.16Å; G55-W57 VanDerWaalsContact O-CD1 3.25Å; G55-W57 PolarHBondContact O-N 3.41Å; G55-W57 PolarHBondContact O-NE1 3.38Å; W57-T59 VanDerWaalsContact C-N 3.32Å; W57-T59 PolarHBondContact O-N 3.12Å; W57-V60 HydrophobicContact CE3-CB 4.41Å; W57-V60 HydrophobicContact CE3-CG1 4.46Å; W57-V60 HydrophobicContact CE3-CG2 4.5Å; W57-V60 PolarHBondContact O-N 3Å; W57-L61 VanDerWaalsContact O-CB 3.3Å; W57-L61 WeakPolarHBondContact O-CB 3.43Å; W57-L61 VanDerWaalsContact O-CG 3.26Å; W57-L61 WeakPolarHBondContact O-CG 3.48Å; W57-L61 PolarHBondContact O-N 3.19Å; W57-L77 HydrophobicContact CE3-CD1 4.06Å; W57-L77 HydrophobicContact CH2-CD1 4.48Å; W57-L77 HydrophobicContact CZ3-CD1 3.56Å; W57-Q80 HydrophobicContact CH2-CG 4.03Å; W57-Q80 HydrophobicContact CZ2-CG 3.97Å; W57-I81 HydrophobicContact CB-CD1 4.24Å; W57-I81 HydrophobicContact CB-CG1 4.15Å; W57-I81 HydrophobicContact CD2-CD1 4.25Å; W57-I81 HydrophobicContact CD2-CG1 3.56Å; W57-I81 HydrophobicContact CE3-CD1 4.05Å; W57-I81 HydrophobicContact CE3-CG1 3.7Å; W57-I81 HydrophobicContact CG-CD1 4.34Å; W57-I81 HydrophobicContact CG-CG1 3.75Å; W57-I81 HydrophobicContact CG-CG2 4.43Å; W57-I81 HydrophobicContact CZ3-CG1 4.36Å; W57-E84 WeakPolarHBondContact CZ2-OE1 3.31Å; W57-E84 PolarHBondContact NE1-OE2 2.98Å; W57-R143 HydrophobicContact CH2-CG 4.24Å; W57-R143 HydrophobicContact CZ2-CG 4.29Å
58D88Confident88Confident123 Ų12361.6 Ų61.666%0.65833%0.331SS*.Hα-helixtrans-61.3-41.3177.4-46.9-20.7000112.1H56 K62H56-D58 PolarHBondContact O-N 3.14Å; H56-D58 VanDerWaalsContact O-N 3.09Å; D58-K62 WeakPolarHBondContact O-CD 3.31Å; D58-K62 VanDerWaalsContact O-CG 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.19Å; D58-K62 PolarHBondContact O-N 3.35Å
59T89.6Confident87.8Confident64 Ų6462.2 Ų62.239%0.39333%0.334SS..Hα-helixtrans-74.4-41.6178.358.60000111.1H56 W57 K62 A63H56-T59 WeakPolarHBondContact CB-OG1 3.14Å; H56-T59 PolarHBondContact O-N 3.22Å; H56-T59 PolarHBondContact O-OG1 3.37Å; W57-T59 VanDerWaalsContact C-N 3.32Å; W57-T59 PolarHBondContact O-N 3.12Å; T59-K62 PolarHBondContact O-N 3.28Å; T59-A63 WeakPolarHBondContact O-CB 3.27Å; T59-A63 PolarHBondContact O-N 3.03Å
60V90.5Very high87.7Confident1 Ų163.3 Ų63.31%0.00634%0.342CS..Hα-helixtrans-63.1-45.7178.6176.90000111F48 D51 I52 H56 W57 K62 A63 I64 L77F48-V60 HydrophobicContact CE2-CG1 4.18Å; D51-V60 HydrophobicContact CB-CG2 3.96Å; I52-V60 HydrophobicContact CD1-CG1 4.48Å; I52-V60 HydrophobicContact CG1-CG1 3.92Å; I52-V60 HydrophobicContact CG1-CG2 3.71Å; H56-V60 PolarHBondContact O-N 2.88Å; W57-V60 HydrophobicContact CE3-CB 4.41Å; W57-V60 HydrophobicContact CE3-CG1 4.46Å; W57-V60 HydrophobicContact CE3-CG2 4.5Å; W57-V60 PolarHBondContact O-N 3Å; V60-K62 PolarHBondContact O-N 3.13Å; V60-A63 PolarHBondContact O-N 3.37Å; V60-I64 HydrophobicContact CG1-CD1 3.56Å; V60-I64 HydrophobicContact CG1-CG1 4.43Å; V60-I64 WeakPolarHBondContact O-CB 3.41Å; V60-I64 VanDerWaalsContact O-CG1 3.26Å; V60-I64 WeakPolarHBondContact O-CG1 3.4Å; V60-I64 PolarHBondContact O-N 2.95Å; V60-L77 HydrophobicContact CG1-CD1 4.27Å; V60-L77 HydrophobicContact CG1-CD2 4.43Å
61L89.7Confident87.4Confident44 Ų4462 Ų6223%0.2334%0.335CS..Hα-helixtrans-64.9-40.3178.5-73.8173000112W57 A63 I64 Q65 Y78 I81W57-L61 VanDerWaalsContact O-CB 3.3Å; W57-L61 WeakPolarHBondContact O-CB 3.43Å; W57-L61 VanDerWaalsContact O-CG 3.26Å; W57-L61 WeakPolarHBondContact O-CG 3.48Å; W57-L61 PolarHBondContact O-N 3.19Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 3.27Å; L61-I64 PolarHBondContact O-N 3.46Å; L61-Q65 WeakPolarHBondContact O-CB 3.25Å; L61-Q65 PolarHBondContact O-N 3.15Å; L61-Y78 HydrophobicContact CD2-CE1 4.02Å; L61-Y78 HydrophobicContact CD2-CE2 4.28Å; L61-I81 HydrophobicContact CD1-CD1 4.11Å; L61-I81 HydrophobicContact CD2-CD1 3.87Å; L61-I81 HydrophobicContact CG-CD1 4.03Å
62K87.2Confident87.3Confident154 Ų15463 Ų6367%0.6735%0.35SS*.Hα-helixtrans-63.5-39.5174.4-74.7173.8-173.8176.10112.1D58 T59 V60 P66D58-K62 WeakPolarHBondContact O-CD 3.31Å; D58-K62 VanDerWaalsContact O-CG 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.19Å; D58-K62 PolarHBondContact O-N 3.35Å; T59-K62 PolarHBondContact O-N 3.28Å; V60-K62 PolarHBondContact O-N 3.13Å; K62-P66 WeakPolarHBondContact O-CD 3.48Å
63A85.5Confident87.2Confident33 Ų3365 Ų6527%0.27336%0.359SS..Hα-helixtrans-68.9-34.2177.500000112.4F48 T59 V60 L61 P66 L67F48-A63 HydrophobicContact CD2-CB 4.11Å; F48-A63 HydrophobicContact CE2-CB 4Å; T59-A63 WeakPolarHBondContact O-CB 3.27Å; T59-A63 PolarHBondContact O-N 3.03Å; V60-A63 PolarHBondContact O-N 3.37Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 3.27Å; A63-P66 WeakPolarHBondContact O-CD 3.37Å; A63-L67 WeakPolarHBondContact O-CD1 3.37Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å
64I86.9Confident87.2Confident9 Ų962.4 Ų62.45%0.04635%0.347CS..Hα-helixtrans-84-29-176.9-69.2170.8000113.3F48 V60 L61 P66 L67 I69 L74 L77 L150F48-I64 HydrophobicContact CE2-CD1 4.23Å; F48-I64 HydrophobicContact CE2-CG1 3.95Å; F48-I64 HydrophobicContact CZ-CD1 3.9Å; F48-I64 HydrophobicContact CZ-CG1 3.83Å; V60-I64 HydrophobicContact CG1-CD1 3.56Å; V60-I64 HydrophobicContact CG1-CG1 4.43Å; V60-I64 WeakPolarHBondContact O-CB 3.41Å; V60-I64 VanDerWaalsContact O-CG1 3.26Å; V60-I64 WeakPolarHBondContact O-CG1 3.4Å; V60-I64 PolarHBondContact O-N 2.95Å; L61-I64 PolarHBondContact O-N 3.46Å; I64-P66 VanDerWaalsContact C-CD 3.43Å; I64-P66 VanDerWaalsContact C-N 3.32Å; I64-P66 VanDerWaalsContact O-N 3.15Å; I64-L67 HydrophobicContact CG1-CD1 4.43Å; I64-L67 WeakPolarHBondContact O-CB 3.16Å; I64-L67 PolarHBondContact O-N 3.32Å; I64-I69 HydrophobicContact CB-CD1 4.31Å; I64-I69 HydrophobicContact CD1-CD1 4.4Å; I64-I69 HydrophobicContact CG1-CD1 4Å; I64-I69 HydrophobicContact CG2-CD1 3.59Å; I64-I69 HydrophobicContact CG2-CG1 4.37Å; I64-L74 HydrophobicContact CG2-CD2 3.63Å; I64-L77 HydrophobicContact CD1-CD2 3.36Å; I64-L150 HydrophobicContact CD1-CD1 4.01Å
65Q83.2Confident87.2Confident167 Ų16760.6 Ų60.678%0.7833%0.331SS*.THydrogen-bonded Turntrans-48.5-41.5-177.5-170.8-179.58.200115.3L61L61-Q65 WeakPolarHBondContact O-CB 3.25Å; L61-Q65 PolarHBondContact O-N 3.15Å
66P79.7Confident87.3Confident104 Ų10462.6 Ų62.668%0.67534%0.338SS*.THydrogen-bonded Turntrans-82.9-7.917732.8-36.5000114.6K62 A63 I64K62-P66 WeakPolarHBondContact O-CD 3.48Å; A63-P66 WeakPolarHBondContact O-CD 3.37Å; I64-P66 VanDerWaalsContact C-CD 3.43Å; I64-P66 VanDerWaalsContact C-N 3.32Å; I64-P66 VanDerWaalsContact O-N 3.15Å
67L81.4Confident87.3Confident17 Ų1757.6 Ų57.69%0.08932%0.315CS..SBendtrans-89141.1-173.6-52.6177.2000110.9N40 V42 A63 I64 I69 V154N40-L67 HydrophobicContact CB-CD2 4.16Å; V42-L67 HydrophobicContact CG2-CD1 3.9Å; A63-L67 WeakPolarHBondContact O-CD1 3.37Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å; I64-L67 HydrophobicContact CG1-CD1 4.43Å; I64-L67 WeakPolarHBondContact O-CB 3.16Å; I64-L67 PolarHBondContact O-N 3.32Å; L67-I69 HydrophobicContact CB-CD1 4.15Å; L67-I69 HydrophobicContact CB-CG1 3.82Å; L67-I69 HydrophobicContact CD1-CD1 4.21Å; L67-I69 PolarHBondContact O-N 2.94Å; L67-V154 HydrophobicContact CD1-CG2 4Å
68K81.3Confident87.4Confident145 Ų14558.7 Ų58.763%0.6332%0.319SS*.  trans-89.589.9170.3-76.8-170.4179.4178.20109.1N40N40-K68 PolarHBondContact ND2-O 3.18Å; N40-K68 PolarHBondContact OD1-N 2.91Å
69I84.8Confident87.5Confident16 Ų1653.3 Ų53.38%0.08229%0.291CS..  trans-99.2142.6178.8-54.1-169.2000109.6I64 L67 A71 K73 L74 L150I64-I69 HydrophobicContact CB-CD1 4.31Å; I64-I69 HydrophobicContact CD1-CD1 4.4Å; I64-I69 HydrophobicContact CG1-CD1 4Å; I64-I69 HydrophobicContact CG2-CD1 3.59Å; I64-I69 HydrophobicContact CG2-CG1 4.37Å; L67-I69 HydrophobicContact CB-CD1 4.15Å; L67-I69 HydrophobicContact CB-CG1 3.82Å; L67-I69 HydrophobicContact CD1-CD1 4.21Å; L67-I69 PolarHBondContact O-N 2.94Å; I69-A71 PolarHBondContact O-N 3.35Å; I69-K73 HydrophobicContact CG2-CB 3.99Å; I69-L74 HydrophobicContact CB-CD1 4.31Å; I69-L74 HydrophobicContact CB-CD2 4.04Å; I69-L74 HydrophobicContact CB-CG 4Å; I69-L74 HydrophobicContact CD1-CD2 4.43Å; I69-L74 HydrophobicContact CG2-CD2 4.24Å; I69-L74 HydrophobicContact CG2-CG 4.09Å; I69-L150 HydrophobicContact CD1-CD2 3.81Å; I69-L150 HydrophobicContact CG2-CD2 3.87Å
70P87.9Confident87.5Confident58 Ų5850.3 Ų50.338%0.37727%0.272SS..  trans-53.5135.3173.3-26.834.4000112.8A72 K73 L74P70-A72 VanDerWaalsContact C-N 3.29Å; P70-A72 PolarHBondContact O-N 2.98Å; P70-K73 HydrophobicContact CG-CD 4.46Å; P70-K73 PolarHBondContact O-N 3.21Å; P70-L74 PolarHBondContact O-N 3Å
71A86.4Confident87.5Confident41 Ų4150.5 Ų50.534%0.33927%0.273SS..Hα-helixtrans-49.2-45.5-178.600000113.6I69 K73 L74 V75I69-A71 PolarHBondContact O-N 3.35Å; A71-K73 VanDerWaalsContact C-N 3.29Å; A71-K73 PolarHBondContact O-N 2.95Å; A71-L74 WeakPolarHBondContact O-CB 3.28Å; A71-L74 PolarHBondContact O-N 3.12Å; A71-L74 VanDerWaalsContact O-N 3.14Å; A71-V75 VanDerWaalsContact O-CG2 3.32Å; A71-V75 WeakPolarHBondContact O-CG2 3.23Å; A71-V75 PolarHBondContact O-N 2.87Å
72A88.6Confident87.5Confident68 Ų6848.4 Ų48.456%0.56226%0.262SS*.Hα-helixtrans-57.7-40.3-179.600000112.9P70 V75 D76P70-A72 VanDerWaalsContact C-N 3.29Å; P70-A72 PolarHBondContact O-N 2.98Å; A72-V75 WeakPolarHBondContact O-CB 3.49Å; A72-V75 PolarHBondContact O-N 3.28Å; A72-D76 PolarHBondContact O-N 3.14Å; A72-D76 VanDerWaalsContact O-N 3.12Å
73K90Very high87.5Confident44 Ų4441.1 Ų41.119%0.19123%0.23CC..Hα-helixtrans-72.7-35.6179-64-176.3176.1-173.30111.9I69 P70 A71 D76 L77 A149 L150 E153I69-K73 HydrophobicContact CG2-CB 3.99Å; P70-K73 HydrophobicContact CG-CD 4.46Å; P70-K73 PolarHBondContact O-N 3.21Å; A71-K73 VanDerWaalsContact C-N 3.29Å; A71-K73 PolarHBondContact O-N 2.95Å; K73-D76 PolarHBondContact O-N 3.41Å; K73-L77 PolarHBondContact O-N 3.04Å; K73-L77 VanDerWaalsContact O-N 3.12Å; K73-A149 HydrophobicContact CD-CB 4.42Å; K73-A149 PolarHBondContact NZ-O 2.92Å; K73-L150 HydrophobicContact CB-CD2 4.35Å; K73-E153 HydrophobicContact CD-CG 3.87Å; K73-E153 VanDerWaalsContact NZ-CG 3.26Å; K73-E153 IonicContact NZ-OE1 2.84Å; K73-E153 PolarHBondContact NZ-OE1 3.39Å
74L90.4Very high87.6Confident30 Ų3039.8 Ų39.816%0.15722%0.219CC..Hα-helixtrans-64.2-43.1172.6-70.2174.2000110.5I64 I69 P70 A71 D76 L77 Y78 P103I64-L74 HydrophobicContact CG2-CD2 3.63Å; I69-L74 HydrophobicContact CB-CD1 4.31Å; I69-L74 HydrophobicContact CB-CD2 4.04Å; I69-L74 HydrophobicContact CB-CG 4Å; I69-L74 HydrophobicContact CD1-CD2 4.43Å; I69-L74 HydrophobicContact CG2-CD2 4.24Å; I69-L74 HydrophobicContact CG2-CG 4.09Å; P70-L74 PolarHBondContact O-N 3Å; A71-L74 WeakPolarHBondContact O-CB 3.28Å; A71-L74 PolarHBondContact O-N 3.12Å; A71-L74 VanDerWaalsContact O-N 3.14Å; L74-D76 VanDerWaalsContact C-N 3.33Å; L74-D76 PolarHBondContact O-N 2.96Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 3Å; L74-Y78 VanDerWaalsContact O-CD2 3.28Å; L74-Y78 WeakPolarHBondContact O-CD2 3.21Å; L74-Y78 PolarHBondContact O-N 2.86Å; L74-P103 HydrophobicContact CB-CB 4.19Å; L74-P103 HydrophobicContact CB-CG 3.99Å
75V90.9Very high87.7Confident10 Ų1041 Ų416%0.06123%0.225CC..Hα-helixtrans-56-48.6175.7169.60000111.1A71 A72 L77 Y78 E79 P103 M104 L107A71-V75 VanDerWaalsContact O-CG2 3.32Å; A71-V75 WeakPolarHBondContact O-CG2 3.23Å; A71-V75 PolarHBondContact O-N 2.87Å; A72-V75 WeakPolarHBondContact O-CB 3.49Å; A72-V75 PolarHBondContact O-N 3.28Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 2.95Å; V75-Y78 PolarHBondContact O-N 3.32Å; V75-E79 VanDerWaalsContact O-CB 3.3Å; V75-E79 WeakPolarHBondContact O-CB 3.41Å; V75-E79 PolarHBondContact O-N 3.43Å; V75-P103 HydrophobicContact CG2-CB 4.05Å; V75-P103 WeakPolarHBondContact CG2-O 3.35Å; V75-M104 HydrophobicContact CG1-CE 4.35Å; V75-M104 WeakPolarHBondContact O-CE 3.34Å; V75-L107 HydrophobicContact CG1-CB 3.9Å; V75-L107 HydrophobicContact CG1-CD1 3.63Å; V75-L107 HydrophobicContact CG1-CD2 4.15Å; V75-L107 HydrophobicContact CG1-CG 4.08Å; V75-L107 HydrophobicContact CG2-CB 4.36Å
76D90.2Very high87.8Confident58 Ų5833.4 Ų33.431%0.3119%0.189SC..Hα-helixtrans-61-39178.8-68.4-23.2000112.7A72 K73 L74 Q80 R114A72-D76 PolarHBondContact O-N 3.14Å; A72-D76 VanDerWaalsContact O-N 3.12Å; K73-D76 PolarHBondContact O-N 3.41Å; L74-D76 VanDerWaalsContact C-N 3.33Å; L74-D76 PolarHBondContact O-N 2.96Å; D76-Q80 PolarHBondContact O-N 3.34Å; D76-Q80 VanDerWaalsContact O-N 3.15Å; D76-R114 IonicContact OD1-CZ 3.66Å; D76-R114 IonicContact OD1-NH1 3.69Å; D76-R114 IonicContact OD1-NH2 3.59Å; D76-R114 PolarHBondContact OD1-NH2 3.44Å
77L91.9Very high88.1Confident0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-65.4-53.1175.5176.171.7000111.7W57 V60 I64 K73 L74 V75 E79 Q80 I81 I146 L150W57-L77 HydrophobicContact CE3-CD1 4.06Å; W57-L77 HydrophobicContact CH2-CD1 4.48Å; W57-L77 HydrophobicContact CZ3-CD1 3.56Å; V60-L77 HydrophobicContact CG1-CD1 4.27Å; V60-L77 HydrophobicContact CG1-CD2 4.43Å; I64-L77 HydrophobicContact CD1-CD2 3.36Å; K73-L77 PolarHBondContact O-N 3.04Å; K73-L77 VanDerWaalsContact O-N 3.12Å; L74-L77 WeakPolarHBondContact O-CB 3.49Å; L74-L77 PolarHBondContact O-N 3Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 2.95Å; L77-E79 VanDerWaalsContact C-N 3.26Å; L77-E79 PolarHBondContact O-N 2.84Å; L77-Q80 WeakPolarHBondContact O-CB 3.48Å; L77-Q80 PolarHBondContact O-N 3.17Å; L77-Q80 VanDerWaalsContact O-N 3.13Å; L77-I81 HydrophobicContact CD1-CD1 4.36Å; L77-I81 HydrophobicContact CG-CD1 4.05Å; L77-I81 WeakPolarHBondContact O-CG1 3.31Å; L77-I81 PolarHBondContact O-N 3.41Å; L77-I146 HydrophobicContact CB-CG2 4.26Å; L77-I146 HydrophobicContact CD1-CG2 3.8Å; L77-L150 HydrophobicContact CD1-CD1 4.11Å; L77-L150 HydrophobicContact CD2-CD1 4.27Å
78Y91.6Very high88.4Confident46 Ų4636.7 Ų36.718%0.1820%0.198CC..Hα-helixtrans-63.6-35.2-178.6-85.7-87.1000111.5L61 L74 V75 I81 I82 T101 P103 M104L61-Y78 HydrophobicContact CD2-CE1 4.02Å; L61-Y78 HydrophobicContact CD2-CE2 4.28Å; L74-Y78 VanDerWaalsContact O-CD2 3.28Å; L74-Y78 WeakPolarHBondContact O-CD2 3.21Å; L74-Y78 PolarHBondContact O-N 2.86Å; V75-Y78 PolarHBondContact O-N 3.32Å; Y78-I81 PolarHBondContact O-N 3.41Å; Y78-I82 VanDerWaalsContact O-CG1 3.28Å; Y78-I82 WeakPolarHBondContact O-CG1 3.3Å; Y78-I82 PolarHBondContact O-N 2.86Å; Y78-T101 HydrophobicContact CD1-CG2 4.09Å; Y78-T101 HydrophobicContact CE1-CG2 3.64Å; Y78-P103 HydrophobicContact CD2-CB 3.94Å; Y78-P103 HydrophobicContact CD2-CG 3.73Å; Y78-P103 HydrophobicContact CE2-CB 4.43Å; Y78-P103 HydrophobicContact CE2-CG 3.72Å; Y78-P103 HydrophobicContact CG-CB 4.46Å; Y78-M104 VanDerWaalsContact CB-CE 3.46Å
79E89.8Confident88.6Confident11 Ų1138.6 Ų38.65%0.05120%0.201CC..Hα-helixtrans-61.9-44.6173.8-179.2174.9152.200111.2V75 L77 I81 I82 I83 M104 R114 L118 R142V75-E79 VanDerWaalsContact O-CB 3.3Å; V75-E79 WeakPolarHBondContact O-CB 3.41Å; V75-E79 PolarHBondContact O-N 3.43Å; L77-E79 VanDerWaalsContact C-N 3.26Å; L77-E79 PolarHBondContact O-N 2.84Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.41Å; E79-I82 PolarHBondContact O-N 3.16Å; E79-I83 HydrophobicContact CG-CD1 3.94Å; E79-I83 VanDerWaalsContact O-CG1 3.31Å; E79-I83 WeakPolarHBondContact O-CG1 3.25Å; E79-I83 PolarHBondContact O-N 3.42Å; E79-M104 HydrophobicContact CB-CE 4.15Å; E79-R114 IonicContact OE1-NE 2.86Å; E79-R114 IonicContact OE2-CZ 3.62Å; E79-R114 IonicContact OE2-NE 3.9Å; E79-R114 PolarHBondContact OE2-NE 3.18Å; E79-R114 IonicContact OE2-NH2 2.7Å; E79-R114 PolarHBondContact OE2-NH2 2.82Å; E79-L118 HydrophobicContact CB-CD1 4.47Å; E79-L118 HydrophobicContact CG-CD1 3.77Å; E79-L118 HydrophobicContact CG-CD2 3.73Å; E79-L118 HydrophobicContact CG-CG 4.29Å; E79-R142 IonicContact OE1-CZ 2.72Å; E79-R142 IonicContact OE1-NH1 3.57Å; E79-R142 IonicContact OE1-NH2 3.63Å; E79-R142 PolarHBondContact OE1-NH2 2.96Å; E79-R142 IonicContact OE2-NH2 2.59Å
80Q90.5Very high88.7Confident0 Ų042.5 Ų42.50%022%0.219CC..Hα-helixtrans-61.7-42.3176-176.662.124.300111.9W57 D76 L77 I82 I83 E84 Y133 R142 I146W57-Q80 HydrophobicContact CH2-CG 4.03Å; W57-Q80 HydrophobicContact CZ2-CG 3.97Å; D76-Q80 PolarHBondContact O-N 3.34Å; D76-Q80 VanDerWaalsContact O-N 3.15Å; L77-Q80 WeakPolarHBondContact O-CB 3.48Å; L77-Q80 PolarHBondContact O-N 3.17Å; L77-Q80 VanDerWaalsContact O-N 3.13Å; Q80-I82 VanDerWaalsContact C-N 3.32Å; Q80-I82 PolarHBondContact O-N 3.03Å; Q80-I83 PolarHBondContact O-N 3.49Å; Q80-E84 PolarHBondContact NE2-OE1 3.21Å; Q80-E84 WeakPolarHBondContact O-CG 3.42Å; Q80-E84 PolarHBondContact O-N 2.84Å; Q80-Y133 PolarHBondContact NE2-OH 3.27Å; Q80-R142 VanDerWaalsContact OE1-CG 3.26Å; Q80-I146 HydrophobicContact CB-CD1 3.41Å; Q80-I146 VanDerWaalsContact CB-CD1 3.41Å; Q80-I146 HydrophobicContact CG-CD1 3.77Å
81I90.5Very high88.7Confident5 Ų542.6 Ų42.63%0.02621%0.214CC..Hα-helixtrans-60.2-44.9176.8-65.4169.3000110.3W57 L61 L77 Y78 E79 E84 L85 L97W57-I81 HydrophobicContact CB-CD1 4.24Å; W57-I81 HydrophobicContact CB-CG1 4.15Å; W57-I81 HydrophobicContact CD2-CD1 4.25Å; W57-I81 HydrophobicContact CD2-CG1 3.56Å; W57-I81 HydrophobicContact CE3-CD1 4.05Å; W57-I81 HydrophobicContact CE3-CG1 3.7Å; W57-I81 HydrophobicContact CG-CD1 4.34Å; W57-I81 HydrophobicContact CG-CG1 3.75Å; W57-I81 HydrophobicContact CG-CG2 4.43Å; W57-I81 HydrophobicContact CZ3-CG1 4.36Å; L61-I81 HydrophobicContact CD1-CD1 4.11Å; L61-I81 HydrophobicContact CD2-CD1 3.87Å; L61-I81 HydrophobicContact CG-CD1 4.03Å; L77-I81 HydrophobicContact CD1-CD1 4.36Å; L77-I81 HydrophobicContact CG-CD1 4.05Å; L77-I81 WeakPolarHBondContact O-CG1 3.31Å; L77-I81 PolarHBondContact O-N 3.41Å; Y78-I81 PolarHBondContact O-N 3.41Å; E79-I81 VanDerWaalsContact C-N 3.34Å; E79-I81 PolarHBondContact O-N 3.41Å; I81-E84 PolarHBondContact O-N 3.48Å; I81-L85 HydrophobicContact CG2-CD1 4.05Å; I81-L85 HydrophobicContact CG2-CG 4.47Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 2.93Å; I81-L97 HydrophobicContact CG2-CD1 3.91Å
82I89.1Confident88.7Confident0 Ų043.2 Ų43.20%022%0.224CC..Hα-helixtrans-62.5-46178.5-71165.4000110.8Y78 E79 Q80 E84 L85 I86 A94 L97 M98 M104 L118Y78-I82 VanDerWaalsContact O-CG1 3.28Å; Y78-I82 WeakPolarHBondContact O-CG1 3.3Å; Y78-I82 PolarHBondContact O-N 2.86Å; E79-I82 PolarHBondContact O-N 3.16Å; Q80-I82 VanDerWaalsContact C-N 3.32Å; Q80-I82 PolarHBondContact O-N 3.03Å; I82-E84 PolarHBondContact O-N 3.5Å; I82-L85 PolarHBondContact O-N 3.47Å; I82-I86 HydrophobicContact CG2-CD1 3.95Å; I82-I86 VanDerWaalsContact O-CG1 3.26Å; I82-I86 WeakPolarHBondContact O-CG1 3.27Å; I82-I86 PolarHBondContact O-N 3.22Å; I82-A94 HydrophobicContact CG2-CB 4.42Å; I82-L97 HydrophobicContact CG1-CB 4.36Å; I82-M98 HydrophobicContact CD1-CB 4.08Å; I82-M98 HydrophobicContact CD1-CG 4.45Å; I82-M98 HydrophobicContact CG2-CE 4.33Å; I82-M104 HydrophobicContact CD1-CE 4.32Å; I82-M104 HydrophobicContact CD1-CG 3.88Å; I82-M104 HydrophobicContact CD1-SD 3.62Å; I82-L118 HydrophobicContact CG2-CD2 4.39Å
83I87.3Confident88.8Confident1 Ų143 Ų431%0.00522%0.215CC..Hα-helixtrans-56.2-42.3177.2-73.1167.2000111E79 Q80 I86 E87 L118 M121 V132E79-I83 HydrophobicContact CG-CD1 3.94Å; E79-I83 VanDerWaalsContact O-CG1 3.31Å; E79-I83 WeakPolarHBondContact O-CG1 3.25Å; E79-I83 PolarHBondContact O-N 3.42Å; Q80-I83 PolarHBondContact O-N 3.49Å; I83-I86 WeakPolarHBondContact O-CB 3.4Å; I83-I86 PolarHBondContact O-N 2.93Å; I83-E87 PolarHBondContact O-N 3.33Å; I83-L118 HydrophobicContact CD1-CD2 4.46Å; I83-L118 HydrophobicContact CG1-CD2 4.05Å; I83-M121 HydrophobicContact CG1-CE 4.33Å; I83-V132 HydrophobicContact CB-CG1 4.42Å; I83-V132 HydrophobicContact CD1-CG1 4.03Å; I83-V132 HydrophobicContact CG1-CG1 4.16Å; I83-V132 HydrophobicContact CG2-CG1 3.4Å
84E88Confident88.7Confident6 Ų640.9 Ų40.93%0.02821%0.206CC..Hα-helixtrans-74.1-32.6-179.7-68.9-171.4-16900113.6W57 Q80 I81 I82 I86 E87 I88 K139 R143W57-E84 WeakPolarHBondContact CZ2-OE1 3.31Å; W57-E84 PolarHBondContact NE1-OE2 2.98Å; Q80-E84 PolarHBondContact NE2-OE1 3.21Å; Q80-E84 WeakPolarHBondContact O-CG 3.42Å; Q80-E84 PolarHBondContact O-N 2.84Å; I81-E84 PolarHBondContact O-N 3.48Å; I82-E84 PolarHBondContact O-N 3.5Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-E87 WeakPolarHBondContact O-CB 3.45Å; E84-E87 PolarHBondContact O-N 3.44Å; E84-I88 WeakPolarHBondContact O-CG1 3.37Å; E84-I88 PolarHBondContact O-N 2.98Å; E84-K139 WeakPolarHBondContact OE1-CE 3.23Å; E84-K139 IonicContact OE2-NZ 3.36Å; E84-R143 VanDerWaalsContact CD-NH2 3.25Å; E84-R143 IonicContact OE1-CZ 3.59Å; E84-R143 IonicContact OE1-NE 3.09Å; E84-R143 PolarHBondContact OE1-NE 2.96Å; E84-R143 IonicContact OE1-NH2 3.55Å; E84-R143 PolarHBondContact OE1-NH2 3.03Å; E84-R143 IonicContact OE2-CZ 2.71Å; E84-R143 IonicContact OE2-NE 2.64Å; E84-R143 IonicContact OE2-NH2 2.76Å; E84-R143 PolarHBondContact OE2-NH2 3.19Å
85L88.3Confident88.7Confident35 Ų3545.7 Ų45.718%0.18322%0.222CC..Hα-helixtrans-65.8-36171.2-70.8170.5000111.6I81 I82 E87 I88 R89 E90 A94 L97I81-L85 HydrophobicContact CG2-CD1 4.05Å; I81-L85 HydrophobicContact CG2-CG 4.47Å; I81-L85 WeakPolarHBondContact O-CG 3.34Å; I81-L85 PolarHBondContact O-N 2.93Å; I82-L85 PolarHBondContact O-N 3.47Å; L85-E87 VanDerWaalsContact C-N 3.35Å; L85-I88 PolarHBondContact O-N 3.46Å; L85-R89 PolarHBondContact O-N 2.88Å; L85-R89 VanDerWaalsContact O-N 3.12Å; L85-E90 HydrophobicContact CD2-CB 4.18Å; L85-E90 PolarHBondContact O-N 3.11Å; L85-A94 HydrophobicContact CB-CB 3.84Å; L85-A94 HydrophobicContact CD1-CB 4.31Å; L85-L97 HydrophobicContact CD1-CD1 3.48Å; L85-L97 VanDerWaalsContact CD1-CD1 3.48Å
86I85.8Confident88.6Confident6 Ų649.6 Ų49.63%0.03124%0.242CC..Hα-helixtrans-63.7-42.7172.7-64.2165.5000110.3I82 I83 E84 I88 R89 F91 A94 M121 L122 Y127I82-I86 HydrophobicContact CG2-CD1 3.95Å; I82-I86 VanDerWaalsContact O-CG1 3.26Å; I82-I86 WeakPolarHBondContact O-CG1 3.27Å; I82-I86 PolarHBondContact O-N 3.22Å; I83-I86 WeakPolarHBondContact O-CB 3.4Å; I83-I86 PolarHBondContact O-N 2.93Å; E84-I86 VanDerWaalsContact C-N 3.3Å; I86-I88 VanDerWaalsContact C-N 3.3Å; I86-I88 PolarHBondContact O-N 3.19Å; I86-R89 WeakPolarHBondContact O-CA 3.24Å; I86-R89 PolarHBondContact O-N 3.04Å; I86-F91 HydrophobicContact CG2-CE1 4.2Å; I86-A94 HydrophobicContact CG1-CB 4.43Å; I86-M121 HydrophobicContact CD1-CB 4.14Å; I86-L122 HydrophobicContact CD1-CD2 3.76Å; I86-L122 HydrophobicContact CD1-CG 3.84Å; I86-L122 HydrophobicContact CG1-CD2 3.49Å; I86-L122 VanDerWaalsContact CG1-CD2 3.49Å; I86-L122 HydrophobicContact CG1-CG 4.16Å; I86-Y127 HydrophobicContact CG2-CD2 3.94Å
87E85.8Confident88.6Confident76 Ų7648.7 Ų48.736%0.35524%0.237SC..Hα-helixtrans-59.3-40.9176.6-172.3-176179.600111.8I83 E84 L85 R89 Y127 K139I83-E87 PolarHBondContact O-N 3.33Å; E84-E87 WeakPolarHBondContact O-CB 3.45Å; E84-E87 PolarHBondContact O-N 3.44Å; L85-E87 VanDerWaalsContact C-N 3.35Å; E87-R89 PolarHBondContact O-N 3.32Å; E87-Y127 HydrophobicContact CB-CE1 4.42Å; E87-Y127 HydrophobicContact CB-CE2 4.22Å; E87-Y127 HydrophobicContact CG-CD1 4.37Å; E87-Y127 HydrophobicContact CG-CE1 4.03Å; E87-K139 IonicContact OE1-NZ 3.55Å; E87-K139 WeakPolarHBondContact OE2-CE 3.07Å; E87-K139 IonicContact OE2-NZ 3.85Å; E87-K139 PolarHBondContact OE2-NZ 3.13Å
88I88Confident88.5Confident114 Ų11448.8 Ų48.859%0.58524%0.238SC*.THydrogen-bonded Turntrans-78.5-3177.5-59.7166.1000112E84 L85 I86 E90E84-I88 WeakPolarHBondContact O-CG1 3.37Å; E84-I88 PolarHBondContact O-N 2.98Å; L85-I88 PolarHBondContact O-N 3.46Å; I86-I88 VanDerWaalsContact C-N 3.3Å; I86-I88 PolarHBondContact O-N 3.19Å; I88-E90 VanDerWaalsContact C-N 3.26Å; I88-E90 HydrophobicContact CG2-CG 4.23Å; I88-E90 PolarHBondContact O-N 3.43Å
89R84.5Confident88.4Confident185 Ų18555 Ų5570%0.69826%0.261SS*.THydrogen-bonded Turntrans64.823.8-176.7-54.5-176.8176.3-167.5-1.9114.7L85 I86 E87 F91L85-R89 PolarHBondContact O-N 2.88Å; L85-R89 VanDerWaalsContact O-N 3.12Å; I86-R89 WeakPolarHBondContact O-CA 3.24Å; I86-R89 PolarHBondContact O-N 3.04Å; E87-R89 PolarHBondContact O-N 3.32Å; R89-F91 VanDerWaalsContact C-N 3.27Å; R89-F91 HydrophobicContact CB-CD2 4.49Å; R89-F91 HydrophobicContact CB-CE2 3.8Å; R89-F91 HydrophobicContact CB-CZ 4.23Å; R89-F91 HydrophobicContact CG-CE2 4.36Å; R89-F91 HydrophobicContact CG-CZ 4.39Å; R89-F91 VanDerWaalsContact O-CD2 3.23Å; R89-F91 WeakPolarHBondContact O-CD2 3.44Å; R89-F91 PolarHBondContact O-N 2.9Å; R89-F91 VanDerWaalsContact O-N 3.11Å
90E87.4Confident88.4Confident99 Ų9961.3 Ų61.346%0.46329%0.29SS..  trans-86.665.1173.9-83.3-68.5166.500110.6L85 I88 G92 T93 A94L85-E90 HydrophobicContact CD2-CB 4.18Å; L85-E90 PolarHBondContact O-N 3.11Å; I88-E90 VanDerWaalsContact C-N 3.26Å; I88-E90 HydrophobicContact CG2-CG 4.23Å; I88-E90 PolarHBondContact O-N 3.43Å; E90-G92 VanDerWaalsContact C-N 3.26Å; E90-G92 PolarHBondContact O-N 3.26Å; E90-T93 PolarHBondContact O-OG1 3.46Å; E90-A94 WeakPolarHBondContact O-CB 3.4Å; E90-A94 PolarHBondContact O-N 3.01Å
91F86.7Confident88.3Confident60 Ų6062.2 Ų62.226%0.26330%0.296SS..Hα-helixtrans-66-28.7-174.7-57.3-75000113.4I86 R89 R95 L122I86-F91 HydrophobicContact CG2-CE1 4.2Å; R89-F91 VanDerWaalsContact C-N 3.27Å; R89-F91 HydrophobicContact CB-CD2 4.49Å; R89-F91 HydrophobicContact CB-CE2 3.8Å; R89-F91 HydrophobicContact CB-CZ 4.23Å; R89-F91 HydrophobicContact CG-CE2 4.36Å; R89-F91 HydrophobicContact CG-CZ 4.39Å; R89-F91 VanDerWaalsContact O-CD2 3.23Å; R89-F91 WeakPolarHBondContact O-CD2 3.44Å; R89-F91 PolarHBondContact O-N 2.9Å; R89-F91 VanDerWaalsContact O-N 3.11Å; F91-R95 WeakPolarHBondContact O-CB 3.35Å; F91-R95 VanDerWaalsContact O-CG 3.31Å; F91-R95 WeakPolarHBondContact O-CG 3.39Å; F91-R95 PolarHBondContact O-N 3.15Å; F91-L122 HydrophobicContact CD1-CD2 4.38Å
92G87.4Confident88.3Confident54 Ų5469.3 Ų69.356%0.55733%0.329SS*.Hα-helixtrans-65.1-51.2-179.200000111.8E90 R95 L96E90-G92 VanDerWaalsContact C-N 3.26Å; E90-G92 PolarHBondContact O-N 3.26Å; G92-R95 PolarHBondContact O-N 2.87Å; G92-L96 WeakPolarHBondContact O-CB 3.39Å; G92-L96 PolarHBondContact O-N 3.28Å; G92-L96 VanDerWaalsContact O-N 3.11Å
93T89.7Confident88.3Confident62 Ų6269.9 Ų69.938%0.3833%0.333SS..Hα-helixtrans-67.3-40.6178.555.50000111.4E90 R95 L96 L97E90-T93 PolarHBondContact O-OG1 3.46Å; T93-R95 PolarHBondContact O-N 3.45Å; T93-L96 PolarHBondContact O-N 2.63Å; T93-L96 VanDerWaalsContact O-N 3.16Å; T93-L97 PolarHBondContact O-N 3.5Å
94A88.7Confident88.4Confident0 Ų069.9 Ų69.90%033%0.333CS..Hα-helixtrans-60.9-44177.300000112.6I82 L85 I86 E90 L96 M98 L122I82-A94 HydrophobicContact CG2-CB 4.42Å; L85-A94 HydrophobicContact CB-CB 3.84Å; L85-A94 HydrophobicContact CD1-CB 4.31Å; I86-A94 HydrophobicContact CG1-CB 4.43Å; E90-A94 WeakPolarHBondContact O-CB 3.4Å; E90-A94 PolarHBondContact O-N 3.01Å; A94-L96 VanDerWaalsContact C-N 3.32Å; A94-L96 PolarHBondContact O-N 3.32Å; A94-M98 WeakPolarHBondContact O-CB 3.26Å; A94-M98 PolarHBondContact O-N 3.22Å; A94-L122 HydrophobicContact CB-CD2 3.52Å
95R89.6Confident88.5Confident131 Ų13173.3 Ų73.349%0.49435%0.351SS..Hα-helixtrans-63.7-37.8174.3-77.8177.2-177.4165.55.6112.4F91 G92 T93 R99 L122F91-R95 WeakPolarHBondContact O-CB 3.35Å; F91-R95 VanDerWaalsContact O-CG 3.31Å; F91-R95 WeakPolarHBondContact O-CG 3.39Å; F91-R95 PolarHBondContact O-N 3.15Å; G92-R95 PolarHBondContact O-N 2.87Å; T93-R95 PolarHBondContact O-N 3.45Å; R95-R99 WeakPolarHBondContact O-CG 3.26Å; R95-R99 PolarHBondContact O-N 3.11Å; R95-R99 VanDerWaalsContact O-N 3.14Å; R95-L122 HydrophobicContact CG-CD1 4.09Å; R95-L122 HydrophobicContact CG-CD2 4.37Å; R95-L122 PolarHBondContact NH2-O 2.97Å; R95-L122 VanDerWaalsContact NH2-O 3.17Å
96L90.7Very high88.5Confident92 Ų9275.9 Ų75.948%0.48236%0.362SS..Hα-helixtrans-68.6-45.9-179.6-165148.9000110.8G92 T93 A94 M98 R99 Q100G92-L96 WeakPolarHBondContact O-CB 3.39Å; G92-L96 PolarHBondContact O-N 3.28Å; G92-L96 VanDerWaalsContact O-N 3.11Å; T93-L96 PolarHBondContact O-N 2.63Å; T93-L96 VanDerWaalsContact O-N 3.16Å; A94-L96 VanDerWaalsContact C-N 3.32Å; A94-L96 PolarHBondContact O-N 3.32Å; L96-M98 PolarHBondContact O-N 3.16Å; L96-R99 PolarHBondContact O-N 3.3Å; L96-Q100 HydrophobicContact CD2-CG 4.42Å; L96-Q100 HydrophobicContact CG-CG 4.48Å; L96-Q100 VanDerWaalsContact O-CB 3.32Å; L96-Q100 WeakPolarHBondContact O-CB 3.46Å; L96-Q100 WeakPolarHBondContact O-CG 3.32Å; L96-Q100 PolarHBondContact O-N 3.16Å
97L90.4Very high88.7Confident39 Ų3975.7 Ų75.720%0.20436%0.361CS..Hα-helixtrans-59-45.7173.4-74.7177.5000111.7I81 I82 L85 T93 R99 T101I81-L97 HydrophobicContact CG2-CD1 3.91Å; I82-L97 HydrophobicContact CG1-CB 4.36Å; L85-L97 HydrophobicContact CD1-CD1 3.48Å; L85-L97 VanDerWaalsContact CD1-CD1 3.48Å; T93-L97 PolarHBondContact O-N 3.5Å; L97-R99 VanDerWaalsContact C-N 3.29Å; L97-R99 PolarHBondContact O-N 3.04Å; L97-T101 HydrophobicContact CB-CG2 4.39Å; L97-T101 HydrophobicContact CD2-CG2 3.8Å; L97-T101 VanDerWaalsContact O-CB 3.3Å; L97-T101 WeakPolarHBondContact O-CB 3.27Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.46Å; L97-T101 VanDerWaalsContact O-N 3.15Å; L97-T101 PolarHBondContact O-OG1 3.23Å
98M88.7Confident88.9Confident3 Ų377.3 Ų77.32%0.01537%0.367CS..Hα-helixtrans-61.8-36.4-179.1-168.5-170.1-90.400112.8I82 A94 L96 M104 Y115 L118 E119 L122I82-M98 HydrophobicContact CD1-CB 4.08Å; I82-M98 HydrophobicContact CD1-CG 4.45Å; I82-M98 HydrophobicContact CG2-CE 4.33Å; A94-M98 WeakPolarHBondContact O-CB 3.26Å; A94-M98 PolarHBondContact O-N 3.22Å; L96-M98 PolarHBondContact O-N 3.16Å; M98-M104 VanDerWaalsContact O-CB 3.25Å; M98-M104 WeakPolarHBondContact O-CB 3.28Å; M98-Y115 HydrophobicContact CG-CD2 4.44Å; M98-Y115 HydrophobicContact CG-CE2 3.54Å; M98-Y115 HydrophobicContact SD-CE1 4.49Å; M98-Y115 HydrophobicContact SD-CE2 3.96Å; M98-L118 HydrophobicContact CE-CB 3.3Å; M98-L118 HydrophobicContact CE-CG 4.45Å; M98-E119 HydrophobicContact CE-CG 4.22Å; M98-E119 HydrophobicContact SD-CG 3.43Å; M98-E119 WeakPolarHBondContact SD-CG 3.3Å; M98-L122 HydrophobicContact CE-CD1 3.37Å; M98-L122 HydrophobicContact CE-CG 4.41Å; M98-L122 HydrophobicContact SD-CD1 3.76Å
99R88.9Confident88.9Confident177 Ų17779.8 Ų79.867%0.66838%0.376SS*.Hα-helixtrans-87.3-29.5-177.6-71.5-177.9175.5-174.5-1.2114.7R95 L96 L97R95-R99 WeakPolarHBondContact O-CG 3.26Å; R95-R99 PolarHBondContact O-N 3.11Å; R95-R99 VanDerWaalsContact O-N 3.14Å; L96-R99 PolarHBondContact O-N 3.3Å; L97-R99 VanDerWaalsContact C-N 3.29Å; L97-R99 PolarHBondContact O-N 3.04Å
100Q90.3Very high89.2Confident142 Ų14274.6 Ų74.666%0.66437%0.368SS*.Hα-helixtrans-104.8-14-169.7-64.2-171.9-10.600114.2L96L96-Q100 HydrophobicContact CD2-CG 4.42Å; L96-Q100 HydrophobicContact CG-CG 4.48Å; L96-Q100 VanDerWaalsContact O-CB 3.32Å; L96-Q100 WeakPolarHBondContact O-CB 3.46Å; L96-Q100 WeakPolarHBondContact O-CG 3.32Å; L96-Q100 PolarHBondContact O-N 3.16Å
101T89.5Confident89.3Confident20 Ų2073.9 Ų73.912%0.12337%0.367CS..  trans-90.5134.8-177.663.30000111.5Y78 L97 M104 L105Y78-T101 HydrophobicContact CD1-CG2 4.09Å; Y78-T101 HydrophobicContact CE1-CG2 3.64Å; L97-T101 HydrophobicContact CB-CG2 4.39Å; L97-T101 HydrophobicContact CD2-CG2 3.8Å; L97-T101 VanDerWaalsContact O-CB 3.3Å; L97-T101 WeakPolarHBondContact O-CB 3.27Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.46Å; L97-T101 VanDerWaalsContact O-N 3.15Å; L97-T101 PolarHBondContact O-OG1 3.23Å; T101-M104 PolarHBondContact O-N 2.97Å; T101-M104 WeakPolarHBondContact OG1-CB 3.39Å; T101-M104 WeakPolarHBondContact OG1-CG 3.44Å; T101-L105 PolarHBondContact O-N 2.74Å
102E89.1Confident89.4Confident153 Ų15374.5 Ų74.572%0.71538%0.378SS*.Hα-helixtrans-56.1-43.4177.8-85.8-169.2157.500114M104 L105 Q106E102-M104 VanDerWaalsContact C-N 3.27Å; E102-M104 PolarHBondContact O-N 3.02Å; E102-L105 PolarHBondContact O-N 3.31Å; E102-L105 VanDerWaalsContact O-N 3.16Å; E102-Q106 PolarHBondContact O-N 3.18Å
103P88.8Confident89.5Confident13 Ų1380 Ų808%0.08439%0.389CS..Hα-helixtrans-59.4-37.8179.5-27.537.8000112.5L74 V75 Y78 Q106 L107L74-P103 HydrophobicContact CB-CB 4.19Å; L74-P103 HydrophobicContact CB-CG 3.99Å; V75-P103 HydrophobicContact CG2-CB 4.05Å; V75-P103 WeakPolarHBondContact CG2-O 3.35Å; Y78-P103 HydrophobicContact CD2-CB 3.94Å; Y78-P103 HydrophobicContact CD2-CG 3.73Å; Y78-P103 HydrophobicContact CE2-CB 4.43Å; Y78-P103 HydrophobicContact CE2-CG 3.72Å; Y78-P103 HydrophobicContact CG-CB 4.46Å; P103-Q106 WeakPolarHBondContact O-CB 3.44Å; P103-Q106 PolarHBondContact O-N 3.14Å; P103-L107 PolarHBondContact O-N 3.18Å
104M90.7Very high89.4Confident0 Ų080.8 Ų80.80%039%0.385CS..Hα-helixtrans-72.4-33.6178.8-71.1-67.6125.200112.7V75 Y78 E79 I82 M98 T101 E102 Q106 L107 K108V75-M104 HydrophobicContact CG1-CE 4.35Å; V75-M104 WeakPolarHBondContact O-CE 3.34Å; Y78-M104 VanDerWaalsContact CB-CE 3.46Å; E79-M104 HydrophobicContact CB-CE 4.15Å; I82-M104 HydrophobicContact CD1-CE 4.32Å; I82-M104 HydrophobicContact CD1-CG 3.88Å; I82-M104 HydrophobicContact CD1-SD 3.62Å; M98-M104 VanDerWaalsContact O-CB 3.25Å; M98-M104 WeakPolarHBondContact O-CB 3.28Å; T101-M104 PolarHBondContact O-N 2.97Å; T101-M104 WeakPolarHBondContact OG1-CB 3.39Å; T101-M104 WeakPolarHBondContact OG1-CG 3.44Å; E102-M104 VanDerWaalsContact C-N 3.27Å; E102-M104 PolarHBondContact O-N 3.02Å; M104-Q106 VanDerWaalsContact C-N 3.31Å; M104-L107 HydrophobicContact CE-CD2 4.19Å; M104-L107 PolarHBondContact O-N 3.19Å; M104-L107 HydrophobicContact SD-CD2 3.96Å; M104-K108 PolarHBondContact O-N 3.11Å
105L90.1Very high89.5Confident78 Ų7881.1 Ų81.141%0.40839%0.386SS..Hα-helixtrans-65.1-37171-65.3173.7000111.6T101 E102 K108 Q109T101-L105 PolarHBondContact O-N 2.74Å; E102-L105 PolarHBondContact O-N 3.31Å; E102-L105 VanDerWaalsContact O-N 3.16Å; L105-K108 PolarHBondContact O-N 2.96Å; L105-Q109 PolarHBondContact O-N 3.41Å
106Q88.3Confident89.4Confident90 Ų9078.1 Ų78.142%0.42138%0.382SS..Hα-helixtrans-68.1-40172.5-75.5-176.5-16.100112.4E102 P103 M104 K108 Q109 S110E102-Q106 PolarHBondContact O-N 3.18Å; P103-Q106 WeakPolarHBondContact O-CB 3.44Å; P103-Q106 PolarHBondContact O-N 3.14Å; M104-Q106 VanDerWaalsContact C-N 3.31Å; Q106-K108 VanDerWaalsContact C-N 3.28Å; Q106-K108 PolarHBondContact O-N 3.16Å; Q106-Q109 PolarHBondContact O-N 3.03Å; Q106-Q109 VanDerWaalsContact O-N 3.14Å; Q106-S110 WeakPolarHBondContact O-CB 3.49Å; Q106-S110 PolarHBondContact O-N 2.89Å; Q106-S110 PolarHBondContact O-OG 3.2Å
107L89.7Confident89.2Confident1 Ų177.6 Ų77.61%0.00538%0.377CS..Hα-helixtrans-58.1-43.7173.8178.767.9000110.7V75 P103 M104 Q109 S110 D111 R114 Y115 L118V75-L107 HydrophobicContact CG1-CB 3.9Å; V75-L107 HydrophobicContact CG1-CD1 3.63Å; V75-L107 HydrophobicContact CG1-CD2 4.15Å; V75-L107 HydrophobicContact CG1-CG 4.08Å; V75-L107 HydrophobicContact CG2-CB 4.36Å; P103-L107 PolarHBondContact O-N 3.18Å; M104-L107 HydrophobicContact CE-CD2 4.19Å; M104-L107 PolarHBondContact O-N 3.19Å; M104-L107 HydrophobicContact SD-CD2 3.96Å; L107-Q109 PolarHBondContact O-N 3.36Å; L107-S110 WeakPolarHBondContact CA-OG 3.49Å; L107-S110 PolarHBondContact O-N 3.34Å; L107-S110 PolarHBondContact O-OG 2.7Å; L107-D111 HydrophobicContact CD1-CB 4.1Å; L107-D111 CarbonylContact O-C 3.52Å; L107-D111 VanDerWaalsContact O-C 3.31Å; L107-D111 PolarHBondContact O-N 3.02Å; L107-R114 HydrophobicContact CD1-CB 4.22Å; L107-R114 HydrophobicContact CD1-CG 4.16Å; L107-Y115 HydrophobicContact CD2-CD2 4.48Å; L107-L118 HydrophobicContact CD2-CD1 3.8Å
108K89.3Confident89Confident111 Ų11175.8 Ų75.848%0.48337%0.368SS..Hα-helixtrans-59.3-32.9177.4-173.8174.4-179.2172.50113.4M104 L105 Q106 Y115M104-K108 PolarHBondContact O-N 3.11Å; L105-K108 PolarHBondContact O-N 2.96Å; Q106-K108 VanDerWaalsContact C-N 3.28Å; Q106-K108 PolarHBondContact O-N 3.16Å; K108-Y115 HydrophobicContact CB-CD1 4.22Å; K108-Y115 HydrophobicContact CB-CD2 3.79Å; K108-Y115 HydrophobicContact CB-CE2 4.13Å; K108-Y115 HydrophobicContact CB-CG 3.86Å; K108-Y115 HydrophobicContact CD-CD1 4.2Å; K108-Y115 HydrophobicContact CD-CE1 3.9Å; K108-Y115 HydrophobicContact CD-CE2 4.46Å; K108-Y115 HydrophobicContact CG-CD1 3.97Å; K108-Y115 HydrophobicContact CG-CD2 4.42Å; K108-Y115 HydrophobicContact CG-CE1 4.19Å; K108-Y115 HydrophobicContact CG-CG 4.11Å
109Q88.8Confident88.9Confident166 Ų16679 Ų7978%0.77638%0.382SS*.Hα-helixtrans-83.7-38.3179.1-68.6178.26.700112.8L105 Q106 L107L105-Q109 PolarHBondContact O-N 3.41Å; Q106-Q109 PolarHBondContact O-N 3.03Å; Q106-Q109 VanDerWaalsContact O-N 3.14Å; L107-Q109 PolarHBondContact O-N 3.36Å
110S89.6Confident88.8Confident76 Ų7674.5 Ų74.553%0.53137%0.372SS..Hα-helixtrans-80.4-51.7-176.7480000112.5Q106 L107Q106-S110 WeakPolarHBondContact O-CB 3.49Å; Q106-S110 PolarHBondContact O-N 2.89Å; Q106-S110 PolarHBondContact O-OG 3.2Å; L107-S110 WeakPolarHBondContact CA-OG 3.49Å; L107-S110 PolarHBondContact O-N 3.34Å; L107-S110 PolarHBondContact O-OG 2.7Å
111D89.8Confident88.4Confident83 Ų8368.4 Ų68.444%0.44434%0.344SS..  trans-130.879.7-176.8-73.1-31.7000110.6L107 E113 R114 Y115L107-D111 HydrophobicContact CD1-CB 4.1Å; L107-D111 CarbonylContact O-C 3.52Å; L107-D111 VanDerWaalsContact O-C 3.31Å; L107-D111 PolarHBondContact O-N 3.02Å; D111-E113 VanDerWaalsContact C-N 3.27Å; D111-E113 PolarHBondContact O-N 2.94Å; D111-R114 HydrophobicContact CB-CB 3.99Å; D111-R114 PolarHBondContact O-N 3.36Å; D111-Y115 PolarHBondContact O-N 3.26Å
112P89.6Confident88.1Confident74 Ų7467.8 Ų67.848%0.48134%0.34SS..Hα-helixtrans-62.7-31.9-175.324-33.4000113.1R114 Y115 V116P112-R114 VanDerWaalsContact C-N 3.35Å; P112-R114 PolarHBondContact O-N 3.33Å; P112-Y115 PolarHBondContact O-N 3.5Å; P112-V116 WeakPolarHBondContact O-CB 3.27Å; P112-V116 VanDerWaalsContact O-CG2 3.29Å; P112-V116 WeakPolarHBondContact O-CG2 3.24Å; P112-V116 PolarHBondContact O-N 3.09Å
113E89.5Confident87.6Confident170 Ų17064.3 Ų64.379%0.79433%0.332SS*.Hα-helixtrans-62.7-41.9177.4-63.3-173.417200112D111 V116 H117D111-E113 VanDerWaalsContact C-N 3.27Å; D111-E113 PolarHBondContact O-N 2.94Å; E113-V116 PolarHBondContact O-N 2.95Å; E113-H117 WeakPolarHBondContact O-CB 3.28Å; E113-H117 PolarHBondContact O-N 2.86Å
114R88.1Confident87.1Confident77 Ų7767.1 Ų67.129%0.29134%0.343SS..Hα-helixtrans-68.9-38.4-179.7-169.9173160.5-169.8-1.8111.2D76 E79 L107 D111 P112 H117 L118D76-R114 IonicContact OD1-CZ 3.66Å; D76-R114 IonicContact OD1-NH1 3.69Å; D76-R114 IonicContact OD1-NH2 3.59Å; D76-R114 PolarHBondContact OD1-NH2 3.44Å; E79-R114 IonicContact OE1-NE 2.86Å; E79-R114 IonicContact OE2-CZ 3.62Å; E79-R114 IonicContact OE2-NE 3.9Å; E79-R114 PolarHBondContact OE2-NE 3.18Å; E79-R114 IonicContact OE2-NH2 2.7Å; E79-R114 PolarHBondContact OE2-NH2 2.82Å; L107-R114 HydrophobicContact CD1-CB 4.22Å; L107-R114 HydrophobicContact CD1-CG 4.16Å; D111-R114 HydrophobicContact CB-CB 3.99Å; D111-R114 PolarHBondContact O-N 3.36Å; P112-R114 VanDerWaalsContact C-N 3.35Å; P112-R114 PolarHBondContact O-N 3.33Å; R114-H117 PolarHBondContact O-N 2.95Å; R114-L118 PolarHBondContact O-N 3.38Å
115Y89Confident85.9Confident8 Ų873 Ų733%0.03138%0.379CS..Hα-helixtrans-64.8-45.9172.6-177.7-87.8000112.1M98 L107 K108 D111 P112 H117 L118 E119M98-Y115 HydrophobicContact CG-CD2 4.44Å; M98-Y115 HydrophobicContact CG-CE2 3.54Å; M98-Y115 HydrophobicContact SD-CE1 4.49Å; M98-Y115 HydrophobicContact SD-CE2 3.96Å; L107-Y115 HydrophobicContact CD2-CD2 4.48Å; K108-Y115 HydrophobicContact CB-CD1 4.22Å; K108-Y115 HydrophobicContact CB-CD2 3.79Å; K108-Y115 HydrophobicContact CB-CE2 4.13Å; K108-Y115 HydrophobicContact CB-CG 3.86Å; K108-Y115 HydrophobicContact CD-CD1 4.2Å; K108-Y115 HydrophobicContact CD-CE1 3.9Å; K108-Y115 HydrophobicContact CD-CE2 4.46Å; K108-Y115 HydrophobicContact CG-CD1 3.97Å; K108-Y115 HydrophobicContact CG-CD2 4.42Å; K108-Y115 HydrophobicContact CG-CE1 4.19Å; K108-Y115 HydrophobicContact CG-CG 4.11Å; D111-Y115 PolarHBondContact O-N 3.26Å; P112-Y115 PolarHBondContact O-N 3.5Å; Y115-H117 VanDerWaalsContact C-N 3.29Å; Y115-H117 PolarHBondContact O-N 2.96Å; Y115-L118 PolarHBondContact O-N 3.2Å; Y115-E119 HydrophobicContact CD1-CG 4.31Å; Y115-E119 HydrophobicContact CE1-CG 3.75Å; Y115-E119 WeakPolarHBondContact CE1-OE1 3.47Å; Y115-E119 PolarHBondContact O-N 3.41Å; Y115-E119 PolarHBondContact OH-OE1 3.29Å
116V88.4Confident84.9Confident68 Ų6876.5 Ų76.541%0.41239%0.388SS..Hα-helixtrans-63.6-36.5177.3169.70000111.3P112 E113 L118 E119 N120P112-V116 WeakPolarHBondContact O-CB 3.27Å; P112-V116 VanDerWaalsContact O-CG2 3.29Å; P112-V116 WeakPolarHBondContact O-CG2 3.24Å; P112-V116 PolarHBondContact O-N 3.09Å; E113-V116 PolarHBondContact O-N 2.95Å; V116-L118 VanDerWaalsContact C-N 3.33Å; V116-L118 PolarHBondContact O-N 3.48Å; V116-E119 PolarHBondContact O-N 3.44Å; V116-N120 WeakPolarHBondContact O-CB 3.39Å; V116-N120 VanDerWaalsContact O-CG 3.25Å; V116-N120 PolarHBondContact O-N 3.49Å; V116-N120 PolarHBondContact O-ND2 3.21Å
117H87.6Confident84.2Confident81 Ų8175.3 Ų75.338%0.37538%0.38SS..Hα-helixtrans-59.2-44.1174.5-178.671.2000111.8E113 R114 Y115 N120 M121E113-H117 WeakPolarHBondContact O-CB 3.28Å; E113-H117 PolarHBondContact O-N 2.86Å; R114-H117 PolarHBondContact O-N 2.95Å; Y115-H117 VanDerWaalsContact C-N 3.29Å; Y115-H117 PolarHBondContact O-N 2.96Å; H117-N120 PolarHBondContact O-N 3.03Å; H117-M121 WeakPolarHBondContact O-CG 3.35Å; H117-M121 PolarHBondContact O-N 3.02Å
118L85.5Confident83.3Confident0 Ų078.1 Ų78.10%040%0.395CS..Hα-helixtrans-65.7-40.1174.7-70.5156.6000112.5E79 I82 I83 M98 L107 R114 Y115 V116 N120 M121 L122E79-L118 HydrophobicContact CB-CD1 4.47Å; E79-L118 HydrophobicContact CG-CD1 3.77Å; E79-L118 HydrophobicContact CG-CD2 3.73Å; E79-L118 HydrophobicContact CG-CG 4.29Å; I82-L118 HydrophobicContact CG2-CD2 4.39Å; I83-L118 HydrophobicContact CD1-CD2 4.46Å; I83-L118 HydrophobicContact CG1-CD2 4.05Å; M98-L118 HydrophobicContact CE-CB 3.3Å; M98-L118 HydrophobicContact CE-CG 4.45Å; L107-L118 HydrophobicContact CD2-CD1 3.8Å; R114-L118 PolarHBondContact O-N 3.38Å; Y115-L118 PolarHBondContact O-N 3.2Å; V116-L118 VanDerWaalsContact C-N 3.33Å; V116-L118 PolarHBondContact O-N 3.48Å; L118-N120 VanDerWaalsContact C-N 3.32Å; L118-N120 PolarHBondContact O-N 3.14Å; L118-M121 HydrophobicContact CD2-CE 3.54Å; L118-M121 HydrophobicContact CG-CE 4.18Å; L118-M121 PolarHBondContact O-N 3.39Å; L118-L122 PolarHBondContact O-N 3.33Å
119E86.2Confident82.3Confident70 Ų7075.9 Ų75.933%0.32739%0.394SS..Hα-helixtrans-61.8-41174.5-80.8-167.4159.400111.6M98 Y115 V116 M121 L122 S123M98-E119 HydrophobicContact CE-CG 4.22Å; M98-E119 HydrophobicContact SD-CG 3.43Å; M98-E119 WeakPolarHBondContact SD-CG 3.3Å; Y115-E119 HydrophobicContact CD1-CG 4.31Å; Y115-E119 HydrophobicContact CE1-CG 3.75Å; Y115-E119 WeakPolarHBondContact CE1-OE1 3.47Å; Y115-E119 PolarHBondContact O-N 3.41Å; Y115-E119 PolarHBondContact OH-OE1 3.29Å; V116-E119 PolarHBondContact O-N 3.44Å; E119-M121 VanDerWaalsContact C-N 3.32Å; E119-M121 PolarHBondContact O-N 3.34Å; E119-L122 WeakPolarHBondContact O-CB 3.36Å; E119-L122 PolarHBondContact O-N 2.9Å; E119-L122 VanDerWaalsContact O-N 3.16Å; E119-S123 PolarHBondContact O-N 2.92Å; E119-S123 VanDerWaalsContact O-N 3.09Å
120N86.1Confident81.3Confident83 Ų8378 Ų7844%0.44440%0.395SS..Hα-helixtrans-61.9-41.9175.6-72.9-25000110.8V116 H117 L118 L122 S123 K124V116-N120 WeakPolarHBondContact O-CB 3.39Å; V116-N120 VanDerWaalsContact O-CG 3.25Å; V116-N120 PolarHBondContact O-N 3.49Å; V116-N120 PolarHBondContact O-ND2 3.21Å; H117-N120 PolarHBondContact O-N 3.03Å; L118-N120 VanDerWaalsContact C-N 3.32Å; L118-N120 PolarHBondContact O-N 3.14Å; N120-L122 VanDerWaalsContact C-N 3.33Å; N120-L122 PolarHBondContact O-N 3.17Å; N120-S123 PolarHBondContact O-N 3.36Å; N120-S123 VanDerWaalsContact O-N 3.08Å; N120-S123 PolarHBondContact O-OG 2.79Å; N120-K124 PolarHBondContact O-N 3.5Å
121M82.7Confident80.3Confident15 Ų1577.8 Ų77.87%0.07439%0.385CS..Hα-helixtrans-61.6-38.4174-70.3-165.2-7100112.6I83 I86 H117 L118 E119 S123 K124 V132I83-M121 HydrophobicContact CG1-CE 4.33Å; I86-M121 HydrophobicContact CD1-CB 4.14Å; H117-M121 WeakPolarHBondContact O-CG 3.35Å; H117-M121 PolarHBondContact O-N 3.02Å; L118-M121 HydrophobicContact CD2-CE 3.54Å; L118-M121 HydrophobicContact CG-CE 4.18Å; L118-M121 PolarHBondContact O-N 3.39Å; E119-M121 VanDerWaalsContact C-N 3.32Å; E119-M121 PolarHBondContact O-N 3.34Å; M121-S123 PolarHBondContact O-N 2.97Å; M121-K124 PolarHBondContact O-N 3.29Å; M121-V132 HydrophobicContact SD-CB 4.23Å; M121-V132 HydrophobicContact SD-CG1 4.5Å; M121-V132 HydrophobicContact SD-CG2 3.48Å; M121-V132 WeakPolarHBondContact SD-CG2 3.28Å
122L82.5Confident79.3Confident7 Ų774.2 Ų74.24%0.03737%0.366CS..Hα-helixtrans-69.5-15.5174.2-76.5168.9000114.5I86 F91 A94 R95 M98 L118 E119 N120I86-L122 HydrophobicContact CD1-CD2 3.76Å; I86-L122 HydrophobicContact CD1-CG 3.84Å; I86-L122 HydrophobicContact CG1-CD2 3.49Å; I86-L122 VanDerWaalsContact CG1-CD2 3.49Å; I86-L122 HydrophobicContact CG1-CG 4.16Å; F91-L122 HydrophobicContact CD1-CD2 4.38Å; A94-L122 HydrophobicContact CB-CD2 3.52Å; R95-L122 HydrophobicContact CG-CD1 4.09Å; R95-L122 HydrophobicContact CG-CD2 4.37Å; R95-L122 PolarHBondContact NH2-O 2.97Å; R95-L122 VanDerWaalsContact NH2-O 3.17Å; M98-L122 HydrophobicContact CE-CD1 3.37Å; M98-L122 HydrophobicContact CE-CG 4.41Å; M98-L122 HydrophobicContact SD-CD1 3.76Å; L118-L122 PolarHBondContact O-N 3.33Å; E119-L122 WeakPolarHBondContact O-CB 3.36Å; E119-L122 PolarHBondContact O-N 2.9Å; E119-L122 VanDerWaalsContact O-N 3.16Å; N120-L122 VanDerWaalsContact C-N 3.33Å; N120-L122 PolarHBondContact O-N 3.17Å
123S79.6Confident78.4Confident80 Ų8071.7 Ų71.756%0.55935%0.347SS*.Hα-helixtrans-93.4-20.1178.877.50000112.9E119 N120 M121E119-S123 PolarHBondContact O-N 2.92Å; E119-S123 VanDerWaalsContact O-N 3.09Å; N120-S123 PolarHBondContact O-N 3.36Å; N120-S123 VanDerWaalsContact O-N 3.08Å; N120-S123 PolarHBondContact O-OG 2.79Å; M121-S123 PolarHBondContact O-N 2.97Å
124K78Confident77Confident71 Ų7168.7 Ų68.731%0.30934%0.342SS..  trans-73.6141.7178.7-72.6-178-179.2-177.10111.4N120 M121 E131N120-K124 PolarHBondContact O-N 3.5Å; M121-K124 PolarHBondContact O-N 3.29Å; K124-E131 IonicContact NZ-OE1 3.92Å; K124-E131 PolarHBondContact NZ-OE1 3.39Å; K124-E131 IonicContact NZ-OE2 3.57Å; K124-E131 PolarHBondContact NZ-OE2 3.14Å
125T66Low75.2Confident124 Ų12470 Ų7076%0.76136%0.36SS*.SBendtrans-79.9-17.3-178.450.10000113.5
126Y69.5Low73.5Confident151 Ų15175 Ų7559%0.59240%0.395SS*.SBendtrans-130.3142.1177.358.4-87.7000110D128Y126-D128 HydrophobicContact CE2-CB 4.46Å
127Y72Confident72.3Confident66 Ų6673.7 Ų73.726%0.25939%0.392SS..  trans-81.9118.1173.5174.4-100.7000108.9I86 E87 V132I86-Y127 HydrophobicContact CG2-CD2 3.94Å; E87-Y127 HydrophobicContact CB-CE1 4.42Å; E87-Y127 HydrophobicContact CB-CE2 4.22Å; E87-Y127 HydrophobicContact CG-CD1 4.37Å; E87-Y127 HydrophobicContact CG-CE1 4.03Å; Y127-V132 HydrophobicContact CD2-CG2 4.13Å; Y127-V132 HydrophobicContact CE2-CB 4.38Å; Y127-V132 HydrophobicContact CE2-CG1 4.44Å; Y127-V132 HydrophobicContact CE2-CG2 3.47Å; Y127-V132 VanDerWaalsContact CE2-CG2 3.47Å
128D71.9Confident71.9Confident59 Ų5973.6 Ų73.632%0.31639%0.394SS..  trans-104.1107.9169.5-169-11.4000110Y126 R130 E131 V132Y126-D128 HydrophobicContact CE2-CB 4.46Å; D128-R130 PolarHBondContact O-N 2.96Å; D128-R130 VanDerWaalsContact O-N 3.08Å; D128-R130 WeakPolarHBondContact OD1-CB 3.43Å; D128-R130 PolarHBondContact OD1-N 3.01Å; D128-E131 HydrophobicContact CB-CG 4.22Å; D128-E131 PolarHBondContact O-N 2.62Å; D128-V132 WeakPolarHBondContact O-CG2 3.27Å; D128-V132 PolarHBondContact O-N 2.96Å
129S67.9Low71.8Confident65 Ų6576 Ų7646%0.45540%0.404SS..Hα-helixtrans-59.2-20.7178.6-175.60000113.3Y133S129-Y133 PolarHBondContact O-N 3.24Å
130R67.7Low71.8Confident211 Ų21179.5 Ų79.580%0.79642%0.421SS*.Hα-helixtrans-81-29.3-178.7-64.9179.9176.6179.6-0.1112.8D128D128-R130 PolarHBondContact O-N 2.96Å; D128-R130 VanDerWaalsContact O-N 3.08Å; D128-R130 WeakPolarHBondContact OD1-CB 3.43Å; D128-R130 PolarHBondContact OD1-N 3.01Å
131E69Low71.8Confident70 Ų7081.2 Ų81.233%0.32742%0.424SS..Hα-helixtrans-75.4-33.5174.9-69.3-172152.500111.7K124 D128K124-E131 IonicContact NZ-OE1 3.92Å; K124-E131 PolarHBondContact NZ-OE1 3.39Å; K124-E131 IonicContact NZ-OE2 3.57Å; K124-E131 PolarHBondContact NZ-OE2 3.14Å; D128-E131 HydrophobicContact CB-CG 4.22Å; D128-E131 PolarHBondContact O-N 2.62Å
132V67.9Low72Confident9 Ų983.1 Ų83.16%0.05543%0.43CS..Hα-helixtrans-74.8-32.3-177.1-179.70000111.8I83 M121 Y127 D128I83-V132 HydrophobicContact CB-CG1 4.42Å; I83-V132 HydrophobicContact CD1-CG1 4.03Å; I83-V132 HydrophobicContact CG1-CG1 4.16Å; I83-V132 HydrophobicContact CG2-CG1 3.4Å; M121-V132 HydrophobicContact SD-CB 4.23Å; M121-V132 HydrophobicContact SD-CG1 4.5Å; M121-V132 HydrophobicContact SD-CG2 3.48Å; M121-V132 WeakPolarHBondContact SD-CG2 3.28Å; Y127-V132 HydrophobicContact CD2-CG2 4.13Å; Y127-V132 HydrophobicContact CE2-CB 4.38Å; Y127-V132 HydrophobicContact CE2-CG1 4.44Å; Y127-V132 HydrophobicContact CE2-CG2 3.47Å; Y127-V132 VanDerWaalsContact CE2-CG2 3.47Å; D128-V132 WeakPolarHBondContact O-CG2 3.27Å; D128-V132 PolarHBondContact O-N 2.96Å
133Y71.4Confident72.4Confident20 Ų2084.1 Ų84.18%0.07843%0.434CS..  trans-128.683.6179.6-56.3-86.1000111.1Q80 S129 T135 A137 R142Q80-Y133 PolarHBondContact NE2-OH 3.27Å; S129-Y133 PolarHBondContact O-N 3.24Å; Y133-T135 PolarHBondContact O-N 3.33Å; Y133-T135 VanDerWaalsContact O-N 3.13Å; Y133-A137 WeakPolarHBondContact CB-O 3.44Å; Y133-A137 HydrophobicContact CD1-CB 4.42Å; Y133-R142 HydrophobicContact CE1-CB 4Å; Y133-R142 HydrophobicContact CE1-CG 4.48Å
134P59.4Low72.9Confident107 Ų10782 Ų8270%0.69542%0.421SS*.  trans-66.6-16.8-170-21.532.4000115.5
135T51.5Low73.5Confident106 Ų10681.6 Ų81.665%0.6543%0.431SS*.SBendtrans-143.897.6-169.131.60000113.3Y133 A137Y133-T135 PolarHBondContact O-N 3.33Å; Y133-T135 VanDerWaalsContact O-N 3.13Å; T135-A137 WeakPolarHBondContact O-CB 3.21Å; T135-A137 PolarHBondContact O-N 3.38Å
136S53Low74.7Confident112 Ų11276.2 Ų76.278%0.78340%0.398SS*.SBendtrans46.88.916875.60000118K141S136-K141 PolarHBondContact O-NZ 3.11Å
137A63.5Low75.8Confident40 Ų4069.1 Ų69.133%0.33137%0.37SS..  trans-101.1127.9-175.200000106.4Y133 T135Y133-A137 WeakPolarHBondContact CB-O 3.44Å; Y133-A137 HydrophobicContact CD1-CB 4.42Å; T135-A137 WeakPolarHBondContact O-CB 3.21Å; T135-A137 PolarHBondContact O-N 3.38Å
138N77.9Confident76.7Confident80 Ų8068.5 Ų68.543%0.42838%0.375SS..  trans-108.8158173.632.6-4.7000107.6E140 K141 R142N138-E140 PolarHBondContact O-N 2.95Å; N138-K141 PolarHBondContact O-N 3Å; N138-K141 WeakPolarHBondContact OD1-CD 3.4Å; N138-K141 VanDerWaalsContact OD1-CE 3.31Å; N138-K141 WeakPolarHBondContact OD1-CE 3.46Å; N138-K141 WeakPolarHBondContact OD1-CG 3.29Å; N138-R142 PolarHBondContact O-N 2.87Å
139K84.8Confident77.6Confident49 Ų4967.1 Ų67.121%0.21337%0.372CS..Hα-helixtrans-41.3-45.3178.9179.2177.7177.9165.20113E84 E87 R142 R143E84-K139 WeakPolarHBondContact OE1-CE 3.23Å; E84-K139 IonicContact OE2-NZ 3.36Å; E87-K139 IonicContact OE1-NZ 3.55Å; E87-K139 WeakPolarHBondContact OE2-CE 3.07Å; E87-K139 IonicContact OE2-NZ 3.85Å; E87-K139 PolarHBondContact OE2-NZ 3.13Å; K139-R142 PolarHBondContact O-N 2.97Å; K139-R143 WeakPolarHBondContact O-CG 3.49Å; K139-R143 PolarHBondContact O-N 3.21Å
140E85.4Confident78.6Confident144 Ų14464 Ų6467%0.67335%0.35SS*.Hα-helixtrans-61.8-42.7178.7-65.3174174.300113.6N138 R142 R143 A144N138-E140 PolarHBondContact O-N 2.95Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 3.04Å; E140-R143 PolarHBondContact O-N 3.22Å; E140-A144 WeakPolarHBondContact O-CB 3.41Å; E140-A144 PolarHBondContact O-N 3Å
141K86.6Confident79.5Confident119 Ų11955.5 Ų55.552%0.51732%0.323SS..Hα-helixtrans-64.6-37.4176.4-78.5-177.3-168.9171.70111.7S136 N138 A144 A145S136-K141 PolarHBondContact O-NZ 3.11Å; N138-K141 PolarHBondContact O-N 3Å; N138-K141 WeakPolarHBondContact OD1-CD 3.4Å; N138-K141 VanDerWaalsContact OD1-CE 3.31Å; N138-K141 WeakPolarHBondContact OD1-CE 3.46Å; N138-K141 WeakPolarHBondContact OD1-CG 3.29Å; K141-A144 PolarHBondContact O-N 3.15Å; K141-A145 WeakPolarHBondContact O-CB 3.4Å; K141-A145 PolarHBondContact O-N 3.49Å
142R87.3Confident80.3Confident55 Ų5561.5 Ų61.521%0.20834%0.343CS..Hα-helixtrans-69.3-43.3177.7-168.7162.3177.6170.45111.2E79 Q80 Y133 N138 K139 E140 A144 A145 I146E79-R142 IonicContact OE1-CZ 2.72Å; E79-R142 IonicContact OE1-NH1 3.57Å; E79-R142 IonicContact OE1-NH2 3.63Å; E79-R142 PolarHBondContact OE1-NH2 2.96Å; E79-R142 IonicContact OE2-NH2 2.59Å; Q80-R142 VanDerWaalsContact OE1-CG 3.26Å; Y133-R142 HydrophobicContact CE1-CB 4Å; Y133-R142 HydrophobicContact CE1-CG 4.48Å; N138-R142 PolarHBondContact O-N 2.87Å; K139-R142 PolarHBondContact O-N 2.97Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 3.04Å; R142-A144 VanDerWaalsContact C-N 3.32Å; R142-A144 PolarHBondContact O-N 3.22Å; R142-A145 PolarHBondContact O-N 3.48Å; R142-I146 HydrophobicContact CG-CD1 4.15Å; R142-I146 WeakPolarHBondContact O-CG1 3.34Å; R142-I146 PolarHBondContact O-N 2.9Å
143R89.6Confident81Confident29 Ų2964 Ų6411%0.10935%0.354CS..Hα-helixtrans-57-44.9170.8-72.4-179.1177.4-170.6-5.7111.8H53 A54 W57 E84 K139 E140 A145 I146 A147H53-R143 WeakPolarHBondContact O-CD 3.32Å; H53-R143 PolarHBondContact O-NH1 3.31Å; A54-R143 PolarHBondContact O-NH1 3.24Å; W57-R143 HydrophobicContact CH2-CG 4.24Å; W57-R143 HydrophobicContact CZ2-CG 4.29Å; E84-R143 VanDerWaalsContact CD-NH2 3.25Å; E84-R143 IonicContact OE1-CZ 3.59Å; E84-R143 IonicContact OE1-NE 3.09Å; E84-R143 PolarHBondContact OE1-NE 2.96Å; E84-R143 IonicContact OE1-NH2 3.55Å; E84-R143 PolarHBondContact OE1-NH2 3.03Å; E84-R143 IonicContact OE2-CZ 2.71Å; E84-R143 IonicContact OE2-NE 2.64Å; E84-R143 IonicContact OE2-NH2 2.76Å; E84-R143 PolarHBondContact OE2-NH2 3.19Å; K139-R143 WeakPolarHBondContact O-CG 3.49Å; K139-R143 PolarHBondContact O-N 3.21Å; E140-R143 PolarHBondContact O-N 3.22Å; R143-A145 PolarHBondContact O-N 2.86Å; R143-I146 PolarHBondContact O-N 3.21Å; R143-A147 VanDerWaalsContact O-CB 3.31Å; R143-A147 WeakPolarHBondContact O-CB 3.49Å; R143-A147 PolarHBondContact O-N 3.46Å
144A90.8Very high81.6Confident35 Ų3563.3 Ų63.329%0.28935%0.352SS..Hα-helixtrans-63.9-39.5178.200000112.7E140 K141 R142 A147 S148E140-A144 WeakPolarHBondContact O-CB 3.41Å; E140-A144 PolarHBondContact O-N 3Å; K141-A144 PolarHBondContact O-N 3.15Å; R142-A144 VanDerWaalsContact C-N 3.32Å; R142-A144 PolarHBondContact O-N 3.22Å; A144-A147 PolarHBondContact O-N 3.33Å; A144-S148 WeakPolarHBondContact O-CB 3.35Å; A144-S148 PolarHBondContact O-N 3.2Å
145A90.8Very high82.6Confident63 Ų6361.9 Ų61.952%0.52134%0.341SS..Hα-helixtrans-63.9-44.7175.300000111.8K141 R142 R143 S148 A149K141-A145 WeakPolarHBondContact O-CB 3.4Å; K141-A145 PolarHBondContact O-N 3.49Å; R142-A145 PolarHBondContact O-N 3.48Å; R143-A145 PolarHBondContact O-N 2.86Å; A145-S148 PolarHBondContact O-N 3.39Å; A145-A149 WeakPolarHBondContact O-CB 3.44Å; A145-A149 PolarHBondContact O-N 3.45Å
146I90.9Very high83.6Confident11 Ų1160 Ų606%0.05633%0.329CS..Hα-helixtrans-64-44.8176.3-66.9164.3000110.4I52 L77 Q80 R142 R143 S148 A149 L150I52-I146 HydrophobicContact CG2-CG2 4.48Å; L77-I146 HydrophobicContact CB-CG2 4.26Å; L77-I146 HydrophobicContact CD1-CG2 3.8Å; Q80-I146 HydrophobicContact CB-CD1 3.41Å; Q80-I146 VanDerWaalsContact CB-CD1 3.41Å; Q80-I146 HydrophobicContact CG-CD1 3.77Å; R142-I146 HydrophobicContact CG-CD1 4.15Å; R142-I146 WeakPolarHBondContact O-CG1 3.34Å; R142-I146 PolarHBondContact O-N 2.9Å; R143-I146 PolarHBondContact O-N 3.21Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 3.45Å; I146-A149 PolarHBondContact O-N 3.29Å; I146-A149 VanDerWaalsContact O-N 3.12Å; I146-L150 HydrophobicContact CG2-CD1 3.66Å; I146-L150 HydrophobicContact CG2-CG 4.27Å; I146-L150 WeakPolarHBondContact O-CB 3.46Å; I146-L150 WeakPolarHBondContact O-CG 3.44Å; I146-L150 PolarHBondContact O-N 2.99Å
147A91.8Very high84.3Confident1 Ų156.3 Ų56.31%0.00830%0.302CS..Hα-helixtrans-58.8-44.4176.200000111.6V49 I52 R143 A144 A149 S151V49-A147 HydrophobicContact CG1-CB 4.22Å; I52-A147 HydrophobicContact CB-CB 4.07Å; I52-A147 HydrophobicContact CD1-CB 4.24Å; I52-A147 HydrophobicContact CG2-CB 3.78Å; R143-A147 VanDerWaalsContact O-CB 3.31Å; R143-A147 WeakPolarHBondContact O-CB 3.49Å; R143-A147 PolarHBondContact O-N 3.46Å; A144-A147 PolarHBondContact O-N 3.33Å; A147-A149 VanDerWaalsContact C-N 3.33Å; A147-A149 PolarHBondContact O-N 2.85Å; A147-S151 VanDerWaalsContact O-CB 3.25Å; A147-S151 WeakPolarHBondContact O-CB 3.48Å; A147-S151 PolarHBondContact O-N 2.88Å; A147-S151 PolarHBondContact O-OG 3.42Å; A147-S151 VanDerWaalsContact O-OG 3.14Å
148S91.7Very high84.5Confident53 Ų5357.3 Ų57.337%0.37131%0.305SS..Hα-helixtrans-66.9-31.7175.6179.10000113.2A144 A145 I146 S151 R152A144-S148 WeakPolarHBondContact O-CB 3.35Å; A144-S148 PolarHBondContact O-N 3.2Å; A145-S148 PolarHBondContact O-N 3.39Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 3.45Å; S148-S151 PolarHBondContact O-OG 3.18Å; S148-R152 WeakPolarHBondContact O-CG 3.3Å
149A91Very high84Confident30 Ų3058 Ų5825%0.24831%0.314CS..Hα-helixtrans-75.1-39.1179.400000111.6K73 A145 I146 A147K73-A149 HydrophobicContact CD-CB 4.42Å; K73-A149 PolarHBondContact NZ-O 2.92Å; A145-A149 WeakPolarHBondContact O-CB 3.44Å; A145-A149 PolarHBondContact O-N 3.45Å; I146-A149 PolarHBondContact O-N 3.29Å; I146-A149 VanDerWaalsContact O-N 3.12Å; A147-A149 VanDerWaalsContact C-N 3.33Å; A147-A149 PolarHBondContact O-N 2.85Å
150L88.4Confident83.3Confident0 Ų058.5 Ų58.50%032%0.324CS..Hα-helixtrans-77.8-37.3179.3-68.2172.4000112.2F48 I52 I64 I69 K73 L77 I146 R152 E153 V154F48-L150 HydrophobicContact CE1-CB 3.97Å; F48-L150 HydrophobicContact CZ-CB 4.41Å; F48-L150 HydrophobicContact CZ-CD1 4.46Å; I52-L150 HydrophobicContact CD1-CB 4.47Å; I52-L150 HydrophobicContact CD1-CD1 3.9Å; I64-L150 HydrophobicContact CD1-CD1 4.01Å; I69-L150 HydrophobicContact CD1-CD2 3.81Å; I69-L150 HydrophobicContact CG2-CD2 3.87Å; K73-L150 HydrophobicContact CB-CD2 4.35Å; L77-L150 HydrophobicContact CD1-CD1 4.11Å; L77-L150 HydrophobicContact CD2-CD1 4.27Å; I146-L150 HydrophobicContact CG2-CD1 3.66Å; I146-L150 HydrophobicContact CG2-CG 4.27Å; I146-L150 WeakPolarHBondContact O-CB 3.46Å; I146-L150 WeakPolarHBondContact O-CG 3.44Å; I146-L150 PolarHBondContact O-N 2.99Å; L150-R152 PolarHBondContact O-N 3.38Å; L150-E153 PolarHBondContact O-N 2.97Å; L150-V154 WeakPolarHBondContact O-CG2 3.07Å; L150-V154 PolarHBondContact O-N 2.99Å
151S87.8Confident82.8Confident32 Ų3257.9 Ų57.922%0.22432%0.315CS..Hα-helixtrans-61.9-25.7178.266.50000113.3A147 S148 E153A147-S151 VanDerWaalsContact O-CB 3.25Å; A147-S151 WeakPolarHBondContact O-CB 3.48Å; A147-S151 PolarHBondContact O-N 2.88Å; A147-S151 PolarHBondContact O-OG 3.42Å; A147-S151 VanDerWaalsContact O-OG 3.14Å; S148-S151 PolarHBondContact O-OG 3.18Å; S151-E153 VanDerWaalsContact C-N 3.31Å
152R85.8Confident82.3Confident197 Ų19754.3 Ų54.374%0.74330%0.301SS*.THydrogen-bonded Turntrans-73-20.4174.2-70.3178-175.5-177.74.4114S148 L150S148-R152 WeakPolarHBondContact O-CG 3.3Å; L150-R152 PolarHBondContact O-N 3.38Å
153E82.5Confident81.7Confident61 Ų6154.7 Ų54.729%0.28531%0.31SS..THydrogen-bonded Turntrans-95.5-7.8-179.4-63.4-60.615300112.8N40 K73 L150 S151N40-E153 WeakPolarHBondContact CB-O 3.39Å; N40-E153 PolarHBondContact ND2-O 3.42Å; K73-E153 HydrophobicContact CD-CG 3.87Å; K73-E153 VanDerWaalsContact NZ-CG 3.26Å; K73-E153 IonicContact NZ-OE1 2.84Å; K73-E153 PolarHBondContact NZ-OE1 3.39Å; L150-E153 PolarHBondContact O-N 2.97Å; S151-E153 VanDerWaalsContact C-N 3.31Å
154V83Confident81.2Confident6 Ų656.5 Ų56.54%0.03632%0.324CS..  trans-113.8139.1-172.5175.10000109.7N40 V42 I45 F48 L67 L150N40-V154 WeakPolarHBondContact O-CA 3.37Å; V42-V154 HydrophobicContact CB-CG1 3.49Å; V42-V154 VanDerWaalsContact CB-CG1 3.49Å; V42-V154 HydrophobicContact CG2-CB 4.4Å; V42-V154 HydrophobicContact CG2-CG1 3.27Å; V42-V154 HydrophobicContact CG2-CG2 4.22Å; I45-V154 HydrophobicContact CG1-CG1 4.45Å; F48-V154 HydrophobicContact CE1-CG2 4.34Å; L67-V154 HydrophobicContact CD1-CG2 4Å; L150-V154 WeakPolarHBondContact O-CG2 3.07Å; L150-V154 PolarHBondContact O-N 2.99Å
155T79.5Confident80.7Confident77 Ų7758.7 Ų58.747%0.47233%0.33SS..BIsolated β-bridgetrans-121155.1176.6550000110.7N40 T41 V42N40-T155 PolarHBondContact O-N 3.42Å; N40-T155 PolarHBondContact O-OG1 3.46Å; T41-T155 VanDerWaalsContact CA-O 3.27Å; T41-T155 WeakPolarHBondContact CA-O 3.44Å; V42-T155 PolarHBondContact N-O 2.99Å; V42-T155 VanDerWaalsContact N-O 3.11Å
156V74.3Confident79.9Confident66 Ų6658.7 Ų58.740%0.432%0.322SS..  trans-107.1125.8168.9-175.50000107.8I45I45-V156 HydrophobicContact CB-CG2 4.35Å; I45-V156 HydrophobicContact CD1-CG2 3.7Å; I45-V156 HydrophobicContact CG1-CG2 3.6Å
157V67Low79.3Confident34 Ų3461.2 Ų61.221%0.20634%0.337CS..  trans-110118.5170.5-175.40000107.7Q17 M39 T41Q17-V157 HydrophobicContact CB-CG1 4.13Å; Q17-V157 HydrophobicContact CG-CB 4.24Å; Q17-V157 HydrophobicContact CG-CG1 3.74Å; M39-V157 HydrophobicContact SD-CG2 4.02Å; T41-V157 HydrophobicContact CG2-CB 4.34Å; T41-V157 HydrophobicContact CG2-CG2 3.78Å
158P67Low78.7Confident61 Ų6167.1 Ų67.140%0.39637%0.365SS..  trans-60.4140178.2-2130.6000111
159P68Low77.9Confident94 Ų9467.1 Ų67.161%0.6137%0.365SS*.THydrogen-bonded Turntrans-66.1154.7-176.325.3-33.2000112.3E21 R161E21-P159 WeakPolarHBondContact OE1-CA 3.38Å; P159-R161 PolarHBondContact O-N 2.91Å; P159-R161 VanDerWaalsContact O-N 3.15Å
160S69.6Low76.9Confident60 Ų6067.5 Ų67.542%0.4236%0.362SS..THydrogen-bonded Turntrans61.617.9173.368.50000116.2E21 L162 V163 T164E21-S160 VanDerWaalsContact CD-N 3.31Å; E21-S160 PolarHBondContact OE1-N 3.16Å; E21-S160 WeakPolarHBondContact OE2-CA 3.48Å; E21-S160 PolarHBondContact OE2-N 3.29Å; S160-L162 PolarHBondContact O-N 2.88Å; S160-V163 PolarHBondContact O-N 3.3Å; S160-T164 PolarHBondContact O-N 2.95Å; S160-T164 PolarHBondContact O-OG1 3.21Å
161R75.1Confident76.3Confident132 Ų13273.6 Ų73.650%0.49839%0.389SS..Hα-helixtrans-60.7-39.7-178.5-162.285.3172.9-170.7-1.3112.9L14 P159 T164 L165L14-R161 HydrophobicContact CD2-CB 3.67Å; L14-R161 HydrophobicContact CD2-CG 3.79Å; P159-R161 PolarHBondContact O-N 2.91Å; P159-R161 VanDerWaalsContact O-N 3.15Å; R161-T164 VanDerWaalsContact CA-OG1 3.28Å; R161-T164 WeakPolarHBondContact CA-OG1 3.43Å; R161-T164 PolarHBondContact O-OG1 2.9Å; R161-L165 HydrophobicContact CG-CD1 4.29Å; R161-L165 WeakPolarHBondContact O-CB 3.39Å; R161-L165 VanDerWaalsContact O-CG 3.27Å; R161-L165 WeakPolarHBondContact O-CG 3.5Å; R161-L165 PolarHBondContact O-N 3.48Å
162L76.6Confident75.7Confident43 Ų4378.6 Ų78.623%0.22540%0.403CS..Hα-helixtrans-66.1-45.9179.9-174.6123.1000111.5L14 I15 F18 S160 T164 L165 L166L14-L162 HydrophobicContact CB-CD1 4.08Å; L14-L162 HydrophobicContact CD2-CB 4.15Å; I15-L162 HydrophobicContact CG1-CD1 4.25Å; F18-L162 HydrophobicContact CB-CB 4.5Å; F18-L162 HydrophobicContact CB-CD2 4.29Å; F18-L162 HydrophobicContact CD2-CD2 3.79Å; F18-L162 HydrophobicContact CE2-CD2 4.31Å; F18-L162 HydrophobicContact CG-CD2 4.04Å; S160-L162 PolarHBondContact O-N 2.88Å; L162-T164 PolarHBondContact O-N 3.43Å; L162-L165 PolarHBondContact O-N 3.37Å; L162-L166 HydrophobicContact CD2-CD1 3.65Å; L162-L166 HydrophobicContact CG-CD1 4.16Å; L162-L166 WeakPolarHBondContact O-CB 3.49Å; L162-L166 WeakPolarHBondContact O-CG 3.5Å; L162-L166 PolarHBondContact O-N 3.49Å
163V75.2Confident74.8Confident64 Ų6472.9 Ų72.939%0.38838%0.384SS..Hα-helixtrans-65.8-39.6179.4-179.80000111.1F18 S160 L166 T167F18-V163 HydrophobicContact CD2-CG2 4.25Å; F18-V163 HydrophobicContact CE2-CG2 4.05Å; S160-V163 PolarHBondContact O-N 3.3Å; V163-L166 PolarHBondContact O-N 3.33Å; V163-T167 WeakPolarHBondContact O-CB 3.27Å; V163-T167 PolarHBondContact O-N 3.07Å; V163-T167 PolarHBondContact O-OG1 3Å
164T79.5Confident74.2Confident66 Ų6673.6 Ų73.641%0.40539%0.388SS..Hα-helixtrans-64.9-44.4175.829.60000112.1S160 R161 L162 T167 Q168S160-T164 PolarHBondContact O-N 2.95Å; S160-T164 PolarHBondContact O-OG1 3.21Å; R161-T164 VanDerWaalsContact CA-OG1 3.28Å; R161-T164 WeakPolarHBondContact CA-OG1 3.43Å; R161-T164 PolarHBondContact O-OG1 2.9Å; L162-T164 PolarHBondContact O-N 3.43Å; T164-T167 PolarHBondContact O-N 3.34Å; T164-Q168 WeakPolarHBondContact O-CB 3.4Å; T164-Q168 WeakPolarHBondContact O-CG 3.37Å; T164-Q168 PolarHBondContact O-N 3.43Å
165L79.1Confident73.5Confident81 Ų8184 Ų8442%0.42443%0.426SS..Hα-helixtrans-61.6-43.2175.4-74.3170.7000112L14 R161 L162 T167 Q168 S169L14-L165 HydrophobicContact CD1-CD1 4.1Å; L14-L165 HydrophobicContact CD2-CD1 4.46Å; R161-L165 HydrophobicContact CG-CD1 4.29Å; R161-L165 WeakPolarHBondContact O-CB 3.39Å; R161-L165 VanDerWaalsContact O-CG 3.27Å; R161-L165 WeakPolarHBondContact O-CG 3.5Å; R161-L165 PolarHBondContact O-N 3.48Å; L162-L165 PolarHBondContact O-N 3.37Å; L165-T167 VanDerWaalsContact C-N 3.34Å; L165-T167 PolarHBondContact O-N 2.9Å; L165-Q168 PolarHBondContact O-N 3.43Å; L165-S169 PolarHBondContact O-N 3.48Å; L165-S169 PolarHBondContact O-OG 2.94Å
166L74.9Confident72.9Confident64 Ų6485.9 Ų85.934%0.33543%0.43SS..Hα-helixtrans-61.6-41.9174.3-76.1167.3000111.9L162 V163 Q168 S169 L170 L187L162-L166 HydrophobicContact CD2-CD1 3.65Å; L162-L166 HydrophobicContact CG-CD1 4.16Å; L162-L166 WeakPolarHBondContact O-CB 3.49Å; L162-L166 WeakPolarHBondContact O-CG 3.5Å; L162-L166 PolarHBondContact O-N 3.49Å; V163-L166 PolarHBondContact O-N 3.33Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 2.98Å; L166-S169 PolarHBondContact O-N 3.39Å; L166-S169 PolarHBondContact O-OG 3.48Å; L166-L170 WeakPolarHBondContact O-CB 3.34Å; L166-L170 PolarHBondContact O-N 3.24Å; L166-L187 HydrophobicContact CB-CD2 4.22Å; L166-L187 HydrophobicContact CD1-CD2 4.19Å; L166-L187 HydrophobicContact CD2-CD2 3.93Å; L166-L187 HydrophobicContact CG-CD2 4.35Å
167T77.6Confident72.4Confident63 Ų6385 Ų8539%0.38743%0.434SS..Hα-helixtrans-66.7-38.7178.5-54.10000111.4V163 T164 L165 K171V163-T167 WeakPolarHBondContact O-CB 3.27Å; V163-T167 PolarHBondContact O-N 3.07Å; V163-T167 PolarHBondContact O-OG1 3Å; T164-T167 PolarHBondContact O-N 3.34Å; L165-T167 VanDerWaalsContact C-N 3.34Å; L165-T167 PolarHBondContact O-N 2.9Å; T167-K171 WeakPolarHBondContact O-CG 3.47Å; T167-K171 PolarHBondContact O-N 2.87Å
168Q80.1Confident72Confident126 Ų12685.8 Ų85.859%0.58944%0.437SS*.Hα-helixtrans-66.3-42.2176-74.5179.1-3.700111.8T164 L165 L166 K171 W172T164-Q168 WeakPolarHBondContact O-CB 3.4Å; T164-Q168 WeakPolarHBondContact O-CG 3.37Å; T164-Q168 PolarHBondContact O-N 3.43Å; L165-Q168 PolarHBondContact O-N 3.43Å; L166-Q168 VanDerWaalsContact C-N 3.35Å; L166-Q168 PolarHBondContact O-N 2.98Å; Q168-K171 PolarHBondContact O-N 2.86Å; Q168-W172 WeakPolarHBondContact O-CB 3.34Å; Q168-W172 PolarHBondContact O-N 2.92Å
169S74.5Confident71.8Confident52 Ų5283.2 Ų83.236%0.36442%0.42SS..Hα-helixtrans-65.2-41.7177.370.10000111.7L165 L166 K171 W172 Q173L165-S169 PolarHBondContact O-N 3.48Å; L165-S169 PolarHBondContact O-OG 2.94Å; L166-S169 PolarHBondContact O-N 3.39Å; L166-S169 PolarHBondContact O-OG 3.48Å; S169-K171 PolarHBondContact O-N 3.44Å; S169-W172 WeakPolarHBondContact O-CB 3.45Å; S169-W172 PolarHBondContact O-N 3.36Å; S169-Q173 WeakPolarHBondContact O-CG 3.39Å; S169-Q173 PolarHBondContact O-N 3.48Å
170L70.2Confident71.3Confident38 Ų3881.2 Ų81.220%0.19941%0.407CS..Hα-helixtrans-56.2-49.5172.9-117.5131.5000112L166 W172 Q173 Q174 L179 I185 L187L166-L170 WeakPolarHBondContact O-CB 3.34Å; L166-L170 PolarHBondContact O-N 3.24Å; L170-W172 VanDerWaalsContact C-N 3.31Å; L170-W172 PolarHBondContact O-N 2.72Å; L170-Q173 PolarHBondContact O-N 3.38Å; L170-Q174 WeakPolarHBondContact O-CG 3.39Å; L170-Q174 PolarHBondContact O-N 3.39Å; L170-L179 HydrophobicContact CD2-CD1 4.41Å; L170-I185 HydrophobicContact CD1-CD1 4.27Å; L170-I185 HydrophobicContact CD2-CD1 3.19Å; L170-I185 HydrophobicContact CD2-CG1 3.99Å; L170-I185 HydrophobicContact CG-CD1 3.62Å; L170-L187 HydrophobicContact CD1-CD2 3.92Å
171K75.2Confident70.6Confident128 Ų12884.5 Ų84.556%0.55743%0.427SS*.Hα-helixtrans-62.6-38.6177.5-79.1179.4177.7178.30112T167 Q168 S169 R175T167-K171 WeakPolarHBondContact O-CG 3.47Å; T167-K171 PolarHBondContact O-N 2.87Å; Q168-K171 PolarHBondContact O-N 2.86Å; S169-K171 PolarHBondContact O-N 3.44Å; K171-R175 WeakPolarHBondContact O-CG 3.49Å; K171-R175 PolarHBondContact O-N 2.8Å
172W75.3Confident69.8Low138 Ų13881.9 Ų81.952%0.52344%0.441SS..Hα-helixtrans-64.7-45.8176.5-176.789.7000111.3Q168 S169 L170 Q174 R175 Q176 L178Q168-W172 WeakPolarHBondContact O-CB 3.34Å; Q168-W172 PolarHBondContact O-N 2.92Å; S169-W172 WeakPolarHBondContact O-CB 3.45Å; S169-W172 PolarHBondContact O-N 3.36Å; L170-W172 VanDerWaalsContact C-N 3.31Å; L170-W172 PolarHBondContact O-N 2.72Å; W172-Q174 PolarHBondContact O-N 2.74Å; W172-R175 PolarHBondContact O-N 3.26Å; W172-Q176 HydrophobicContact CD2-CG 4.03Å; W172-Q176 HydrophobicContact CE3-CG 4.09Å; W172-Q176 HydrophobicContact CH2-CG 3.86Å; W172-Q176 HydrophobicContact CZ2-CG 3.79Å; W172-Q176 HydrophobicContact CZ3-CG 4Å; W172-Q176 WeakPolarHBondContact O-CG 3.39Å; W172-Q176 PolarHBondContact O-N 3.06Å; W172-L178 HydrophobicContact CZ3-CD1 4.36Å
173Q67.5Low68.9Low76 Ų7681.5 Ų81.536%0.35544%0.441SS..Hα-helixtrans-63.7-39.3177-73.6177.8-8.900112.2S169 L170 Q176 G177 L178 L179S169-Q173 WeakPolarHBondContact O-CG 3.39Å; S169-Q173 PolarHBondContact O-N 3.48Å; L170-Q173 PolarHBondContact O-N 3.38Å; Q173-Q176 PolarHBondContact O-N 2.81Å; Q173-G177 PolarHBondContact O-N 3.15Å; Q173-L178 HydrophobicContact CB-CB 4.21Å; Q173-L178 HydrophobicContact CB-CD1 4.44Å; Q173-L178 HydrophobicContact CG-CD1 4.22Å; Q173-L178 WeakPolarHBondContact O-CB 3.41Å; Q173-L178 PolarHBondContact O-N 3.4Å; Q173-L179 HydrophobicContact CB-CD1 3.56Å; Q173-L179 HydrophobicContact CB-CG 4.29Å
174Q68.3Low68Low76 Ų7683.8 Ų83.836%0.35545%0.447SS..Hα-helixtrans-59.6-44.9171.3-78.8179.3-16.200112L170 W172 Q176 G177 L179L170-Q174 WeakPolarHBondContact O-CG 3.39Å; L170-Q174 PolarHBondContact O-N 3.39Å; W172-Q174 PolarHBondContact O-N 2.74Å; Q174-Q176 VanDerWaalsContact C-N 3.27Å; Q174-Q176 PolarHBondContact O-N 3.28Å; Q174-G177 PolarHBondContact O-N 2.96Å; Q174-L179 HydrophobicContact CB-CB 4.45Å; Q174-L179 HydrophobicContact CG-CB 3.63Å; Q174-L179 HydrophobicContact CG-CD1 4.24Å
175R68.7Low67Low225 Ų22582.5 Ų82.585%0.84944%0.437SS*.Hα-helixtrans-64.5-30.8177-76.5-177.5177.9-173.1-0.6113.3K171 W172 G177K171-R175 WeakPolarHBondContact O-CG 3.49Å; K171-R175 PolarHBondContact O-N 2.8Å; W172-R175 PolarHBondContact O-N 3.26Å; R175-G177 PolarHBondContact O-N 2.92Å
176Q68.2Low65.9Low116 Ų11681.6 Ų81.654%0.54243%0.433SS..THydrogen-bonded Turntrans-78.4-4174.3-66.1-63.3-21.200113.1W172 Q173 Q174 L178W172-Q176 HydrophobicContact CD2-CG 4.03Å; W172-Q176 HydrophobicContact CE3-CG 4.09Å; W172-Q176 HydrophobicContact CH2-CG 3.86Å; W172-Q176 HydrophobicContact CZ2-CG 3.79Å; W172-Q176 HydrophobicContact CZ3-CG 4Å; W172-Q176 WeakPolarHBondContact O-CG 3.39Å; W172-Q176 PolarHBondContact O-N 3.06Å; Q173-Q176 PolarHBondContact O-N 2.81Å; Q174-Q176 VanDerWaalsContact C-N 3.27Å; Q174-Q176 PolarHBondContact O-N 3.28Å; Q176-L178 HydrophobicContact CB-CD1 4.13Å; Q176-L178 HydrophobicContact CB-CG 4.12Å; Q176-L178 PolarHBondContact O-N 3.3Å
177G63Low64.9Low48 Ų4883 Ų8350%0.49544%0.44SS..THydrogen-bonded Turntrans7314.5-176.400000113.9Q173 Q174 R175Q173-G177 PolarHBondContact O-N 3.15Å; Q174-G177 PolarHBondContact O-N 2.96Å; R175-G177 PolarHBondContact O-N 2.92Å
178L59.3Low63.4Low51 Ų5189.3 Ų89.327%0.26746%0.463SS..SBendtrans-74.8-20173.3-65170.3000111.6W172 Q173 Q176 D252W172-L178 HydrophobicContact CZ3-CD1 4.36Å; Q173-L178 HydrophobicContact CB-CB 4.21Å; Q173-L178 HydrophobicContact CB-CD1 4.44Å; Q173-L178 HydrophobicContact CG-CD1 4.22Å; Q173-L178 WeakPolarHBondContact O-CB 3.41Å; Q173-L178 PolarHBondContact O-N 3.4Å; Q176-L178 HydrophobicContact CB-CD1 4.13Å; Q176-L178 HydrophobicContact CB-CG 4.12Å; Q176-L178 PolarHBondContact O-N 3.3Å; L178-D252 WeakPolarHBondContact CD2-OD2 3.43Å
179L61.9Low61.9Low7 Ų792.3 Ų92.34%0.03747%0.469CS..SBendtrans-131.7114.6177.8-73160.8000110L170 Q173 Q174 I185 V192L170-L179 HydrophobicContact CD2-CD1 4.41Å; Q173-L179 HydrophobicContact CB-CD1 3.56Å; Q173-L179 HydrophobicContact CB-CG 4.29Å; Q174-L179 HydrophobicContact CB-CB 4.45Å; Q174-L179 HydrophobicContact CG-CB 3.63Å; Q174-L179 HydrophobicContact CG-CD1 4.24Å; L179-I185 HydrophobicContact CD1-CD1 3.18Å; L179-I185 HydrophobicContact CD1-CG1 4.49Å; L179-I185 HydrophobicContact CD2-CD1 3.3Å; L179-I185 HydrophobicContact CD2-CG1 3.87Å; L179-I185 HydrophobicContact CG-CD1 3.82Å; L179-V192 HydrophobicContact CD2-CG2 3.43Å; L179-V192 VanDerWaalsContact CD2-CG2 3.43Å
180P58Low60.8Low51 Ų5193 Ų9333%0.33148%0.483SS..  trans-57.9145.6171.2-19.528.8000111.5G182 T183 L245P180-G182 PolarHBondContact O-N 3.37Å; P180-T183 HydrophobicContact CB-CG2 4.06Å; P180-T183 HydrophobicContact CG-CG2 4.05Å; P180-T183 PolarHBondContact O-N 2.92Å; P180-T183 PolarHBondContact O-OG1 3.28Å; P180-L245 HydrophobicContact CG-CD1 4.2Å
181P54.3Low60.1Low129 Ų12994.2 Ų94.284%0.83849%0.487SS*.THydrogen-bonded Turntrans-59.3128.6176.324-31.9000110.5
182G59Low59.1Low77 Ų7789.9 Ų89.979%0.79447%0.471SS*.THydrogen-bonded Turntrans94.7-4.1179.200000116P180 Q184P180-G182 PolarHBondContact O-N 3.37Å; G182-Q184 PolarHBondContact O-N 3.02Å
183T57.7Low57.9Low36 Ų3685.2 Ų85.222%0.22146%0.462CS..  trans-66.8121.717545.90000111.7P180 I185 V192P180-T183 HydrophobicContact CB-CG2 4.06Å; P180-T183 HydrophobicContact CG-CG2 4.05Å; P180-T183 PolarHBondContact O-N 2.92Å; P180-T183 PolarHBondContact O-OG1 3.28Å; T183-I185 PolarHBondContact O-N 3.35Å; T183-V192 HydrophobicContact CG2-CG1 3.67Å
184Q55.6Low57.3Low112 Ų11283.7 Ų83.752%0.52346%0.456SS..  trans-65.3131.2164.8-71.3-173.8-33.500108.2G182 A193 R195G182-Q184 PolarHBondContact O-N 3.02Å; Q184-A193 HydrophobicContact CB-CB 4.23Å; Q184-A193 WeakPolarHBondContact O-CB 3.44Å; Q184-A193 PolarHBondContact O-N 3Å; Q184-R195 VanDerWaalsContact NE2-NH2 3.19Å
185I57.7Low56.6Low38 Ų3888.2 Ų88.220%0.19547%0.47CS..EExtended strand (participates in β ladder)trans-110.7125.3177.9-56.8-170.3000107.5L170 L179 T183 L187L170-I185 HydrophobicContact CD1-CD1 4.27Å; L170-I185 HydrophobicContact CD2-CD1 3.19Å; L170-I185 HydrophobicContact CD2-CG1 3.99Å; L170-I185 HydrophobicContact CG-CD1 3.62Å; L179-I185 HydrophobicContact CD1-CD1 3.18Å; L179-I185 HydrophobicContact CD1-CG1 4.49Å; L179-I185 HydrophobicContact CD2-CD1 3.3Å; L179-I185 HydrophobicContact CD2-CG1 3.87Å; L179-I185 HydrophobicContact CG-CD1 3.82Å; T183-I185 PolarHBondContact O-N 3.35Å; I185-L187 PolarHBondContact O-N 3.28Å; I185-L187 VanDerWaalsContact O-N 3.11Å
186D57.6Low55.9Low62 Ų6281.2 Ų81.233%0.33245%0.453SS..EExtended strand (participates in β ladder)trans-79.394.7169.1-166.3-4.8000107.9F188 R189 G190 K191 A193D186-F188 PolarHBondContact O-N 3.3Å; D186-F188 VanDerWaalsContact O-N 3.16Å; D186-R189 HydrophobicContact CB-CB 4.27Å; D186-R189 PolarHBondContact O-N 3.38Å; D186-R189 WeakPolarHBondContact OD2-CD 3.48Å; D186-R189 IonicContact OD2-NE 3.27Å; D186-G190 PolarHBondContact O-N 3.24Å; D186-K191 PolarHBondContact N-O 2.92Å; D186-K191 VanDerWaalsContact N-O 3.08Å; D186-A193 HydrophobicContact CB-CB 4.46Å
187L52.9Low55.4Low95 Ų9580 Ų8050%0.49745%0.448SS..THydrogen-bonded Turntrans-54.4-32.8-175.5-86.8162.2000112.5L166 L170 I185L166-L187 HydrophobicContact CB-CD2 4.22Å; L166-L187 HydrophobicContact CD1-CD2 4.19Å; L166-L187 HydrophobicContact CD2-CD2 3.93Å; L166-L187 HydrophobicContact CG-CD2 4.35Å; L170-L187 HydrophobicContact CD1-CD2 3.92Å; I185-L187 PolarHBondContact O-N 3.28Å; I185-L187 VanDerWaalsContact O-N 3.11Å
188F47Very low55.1Low195 Ų19586.7 Ų86.786%0.85547%0.466SS*.THydrogen-bonded Turntrans-75.6-29.9179.6-75.1-77.2000113.1D186D186-F188 PolarHBondContact O-N 3.3Å; D186-F188 VanDerWaalsContact O-N 3.16Å
189R48.3Very low55.3Low189 Ų18992 Ų9271%0.71349%0.49SS*.THydrogen-bonded Turntrans-88.7-17.8176.8-67.6-172.6176.3-137.9-3.1112.5D186 K191D186-R189 HydrophobicContact CB-CB 4.27Å; D186-R189 PolarHBondContact O-N 3.38Å; D186-R189 WeakPolarHBondContact OD2-CD 3.48Å; D186-R189 IonicContact OD2-NE 3.27Å; R189-K191 HydrophobicContact CB-CB 4.05Å; R189-K191 HydrophobicContact CB-CG 4.04Å; R189-K191 WeakPolarHBondContact O-CG 3.19Å; R189-K191 PolarHBondContact O-N 2.77Å
190G51.9Low55.9Low65 Ų6592.4 Ų92.467%0.6749%0.492SS*.THydrogen-bonded Turntrans61.624-169.500000111.9D186D186-G190 PolarHBondContact O-N 3.24Å
191K54.4Low56.9Low64 Ų6493 Ų9328%0.27849%0.494SS..EExtended strand (participates in β ladder)trans-118.5144.6-175.5-62.5-163.1-178.2-158.60109.3D186 R189 A193 D226 Q228 S277D186-K191 PolarHBondContact N-O 2.92Å; D186-K191 VanDerWaalsContact N-O 3.08Å; R189-K191 HydrophobicContact CB-CB 4.05Å; R189-K191 HydrophobicContact CB-CG 4.04Å; R189-K191 WeakPolarHBondContact O-CG 3.19Å; R189-K191 PolarHBondContact O-N 2.77Å; K191-A193 PolarHBondContact O-N 3.18Å; K191-D226 IonicContact NZ-OD2 3.26Å; K191-D226 PolarHBondContact NZ-OD2 2.96Å; K191-Q228 VanDerWaalsContact CB-NE2 3.27Å; K191-Q228 VanDerWaalsContact CG-NE2 3.25Å; K191-S277 PolarHBondContact NZ-OG 2.9Å
192V54.4Low58Low37 Ų3788.4 Ų88.422%0.22446%0.461CS..EExtended strand (participates in β ladder)trans-58.6122.9164.2-177.40000106.9L179 T183 L194L179-V192 HydrophobicContact CD2-CG2 3.43Å; L179-V192 VanDerWaalsContact CD2-CG2 3.43Å; T183-V192 HydrophobicContact CG2-CG1 3.67Å; V192-L194 HydrophobicContact CB-CG 4.48Å; V192-L194 HydrophobicContact CG1-CD2 4.37Å; V192-L194 HydrophobicContact CG1-CG 4.22Å; V192-L194 PolarHBondContact O-N 3.41Å
193A50.9Low59Low40 Ų4085 Ų8533%0.33143%0.425SS..  trans-71.584.7167.700000106.4Q184 D186 K191 R195Q184-A193 HydrophobicContact CB-CB 4.23Å; Q184-A193 WeakPolarHBondContact O-CB 3.44Å; Q184-A193 PolarHBondContact O-N 3Å; D186-A193 HydrophobicContact CB-CB 4.46Å; K191-A193 PolarHBondContact O-N 3.18Å; A193-R195 PolarHBondContact O-N 3.41Å
194L53.6Low60.1Low44 Ų4491.1 Ų91.123%0.2344%0.444CS..  trans-64.5106.5169.3-74162.1000105.8V192 P196V192-L194 HydrophobicContact CB-CG 4.48Å; V192-L194 HydrophobicContact CG1-CD2 4.37Å; V192-L194 HydrophobicContact CG1-CG 4.22Å; V192-L194 PolarHBondContact O-N 3.41Å; L194-P196 WeakPolarHBondContact O-CD 3.32Å
195R53.3Low61.5Low172 Ų17291.9 Ų91.965%0.64945%0.448SS*.PPolyproline II helixtrans-63.2123.3166.5-73-176.6-176.6175.1-1.5106.2Q184 A193 E197Q184-R195 VanDerWaalsContact NE2-NH2 3.19Å; A193-R195 PolarHBondContact O-N 3.41Å; R195-E197 PolarHBondContact O-N 2.95Å
196P54.4Low62.8Low77 Ų7794 Ų9450%0.546%0.459SS..PPolyproline II helixtrans-57.3129.5171.925.3-31.6000107.4L194 E198L194-P196 WeakPolarHBondContact O-CD 3.32Å; P196-E198 PolarHBondContact O-N 2.87Å
197E58Low64.1Low92 Ų9293.7 Ų93.743%0.4346%0.461SS..PPolyproline II helixtrans-63121.5167.9-75.4179.4161.900107.5R195 E199 N494R195-E197 PolarHBondContact O-N 2.95Å; E197-E199 VanDerWaalsContact C-N 3.29Å; E197-E199 PolarHBondContact O-N 3.33Å; E197-N494 PolarHBondContact OE2-N 2.83Å; E197-N494 VanDerWaalsContact OE2-N 3.16Å; E197-N494 PolarHBondContact OE2-ND2 2.82Å
198E56Low65.7Low187 Ų18790.9 Ų90.987%0.87445%0.447SS*.SBendtrans-73.8-20-172.1-67.5-177.2165.400113.1P196P196-E198 PolarHBondContact O-N 2.87Å
199E64.6Low67.8Low163 Ų16384 Ų8476%0.76242%0.421SS*.SBendtrans-119122.8-179.5-68.1-169.3163.200111.8E197 N494E197-E199 VanDerWaalsContact C-N 3.29Å; E197-E199 PolarHBondContact O-N 3.33Å; E199-N494 PolarHBondContact O-ND2 2.9Å
200E73.6Confident69.8Low16 Ų1675.2 Ų75.28%0.07539%0.388CS..  trans-88.2125.8176.6-61.8-169.3150.300112.3S448 P449 H450 D452 W453 N494E200-S448 VanDerWaalsContact CD-CB 3.47Å; E200-S448 WeakPolarHBondContact OE1-CB 3.25Å; E200-S448 WeakPolarHBondContact OE2-CB 3.34Å; E200-S448 PolarHBondContact OE2-OG 3.05Å; E200-P449 WeakPolarHBondContact OE1-CD 3.48Å; E200-P449 VanDerWaalsContact OE1-N 3.14Å; E200-H450 VanDerWaalsContact CD-CB 3.5Å; E200-H450 HydrophobicContact CG-CB 4.26Å; E200-H450 WeakPolarHBondContact OE1-CB 3.2Å; E200-H450 IonicContact OE1-CD2 3.77Å; E200-H450 PolarHBondContact OE1-CD2 2.76Å; E200-H450 IonicContact OE1-CG 2.62Å; E200-H450 PolarHBondContact OE1-N 3.02Å; E200-D452 HydrophobicContact CB-CB 4.26Å; E200-D452 WeakPolarHBondContact OE2-CB 3.4Å; E200-D452 PolarHBondContact OE2-N 3.27Å; E200-W453 PolarHBondContact O-NE1 3.43Å; E200-N494 WeakPolarHBondContact CA-ND2 3.39Å; E200-N494 WeakPolarHBondContact CA-OD1 3.38Å; E200-N494 WeakPolarHBondContact CB-OD1 3.23Å
201T80Confident71.5Confident64 Ų6479.8 Ų79.839%0.39339%0.389SS..  trans-127148.317645.90000110.9P510T201-P510 WeakPolarHBondContact OG1-CB 3.22Å; T201-P510 WeakPolarHBondContact OG1-CG 3.36Å
202F77.1Confident73Confident31 Ų3178.2 Ų78.214%0.13638%0.382CS..  trans-70145.7-179.661.5-94.5000111.5R204 W453 Y455 C465 S475F202-R204 HydrophobicContact CD2-CG 3.9Å; F202-R204 HydrophobicContact CE2-CG 3.72Å; F202-W453 HydrophobicContact CB-CD2 4.37Å; F202-W453 HydrophobicContact CB-CE3 4.18Å; F202-W453 HydrophobicContact CB-CH2 4.25Å; F202-W453 HydrophobicContact CB-CZ2 4.44Å; F202-W453 HydrophobicContact CB-CZ3 4.12Å; F202-W453 AromaticContact CD1-CH2 3.45Å; F202-W453 HydrophobicContact CD1-CH2 3.45Å; F202-W453 VanDerWaalsContact CD1-CH2 3.45Å; F202-W453 AromaticContact CD1-CZ2 3.82Å; F202-W453 HydrophobicContact CD1-CZ2 3.82Å; F202-W453 HydrophobicContact CD1-CZ3 4.01Å; F202-W453 HydrophobicContact CE1-CH2 4.2Å; F202-W453 HydrophobicContact CG-CH2 4.28Å; F202-W453 HydrophobicContact CG-CZ3 4.46Å; F202-Y455 HydrophobicContact CB-CE1 4.46Å; F202-C465 HydrophobicContact CB-CB 4.04Å; F202-S475 WeakPolarHBondContact CD2-OG 3.24Å
203P81.2Confident74.2Confident5 Ų578.7 Ų78.73%0.03240%0.395CS..  trans-63.5139.2-178.525.3-32.9000111.9Y455 L463 M477 V496 W508P203-Y455 VanDerWaalsContact CD-CE1 3.41Å; P203-Y455 HydrophobicContact CG-CE1 4.21Å; P203-L463 HydrophobicContact CG-CD2 3.71Å; P203-M477 HydrophobicContact CB-SD 4.16Å; P203-M477 HydrophobicContact CG-SD 4.01Å; P203-V496 HydrophobicContact CG-CG2 4.21Å; P203-W508 HydrophobicContact CB-CB 3.72Å
204R80.7Confident75.3Confident165 Ų16587.2 Ų87.262%0.62343%0.425SS*.  trans-130.9-27.6175.3-58.7179.2176.8-179.80.8113.2F202 T509 P510F202-R204 HydrophobicContact CD2-CG 3.9Å; F202-R204 HydrophobicContact CE2-CG 3.72Å; R204-T509 PolarHBondContact N-O 3.29Å; R204-P510 VanDerWaalsContact CB-OXT 3.3Å; R204-P510 WeakPolarHBondContact CB-OXT 3.35Å; R204-P510 WeakPolarHBondContact CG-OXT 3.5Å
205Q84.3Confident76.6Confident129 Ų12993 Ų9360%0.60346%0.455SS*.EExtended strand (participates in β ladder)trans-117138.4-172.3-61.4-171.2-0.700111S207 W508 T509Q205-S207 PolarHBondContact O-N 3.48Å; Q205-W508 WeakPolarHBondContact O-CA 3.21Å; Q205-T509 PolarHBondContact N-O 3.09Å; Q205-T509 PolarHBondContact O-N 3.42Å
206L85.6Confident78.2Confident81 Ų8185.6 Ų85.642%0.42443%0.429SS..EExtended strand (participates in β ladder)trans-78.5115.7169.2-177.8130.7000108.4V209 K506 W508L206-V209 HydrophobicContact CD1-CG2 4.08Å; L206-V209 HydrophobicContact CD2-CG2 3.71Å; L206-V209 HydrophobicContact CG-CG2 4.33Å; L206-K506 HydrophobicContact CD1-CB 4.1Å; L206-K506 HydrophobicContact CD1-CD 3.71Å; L206-K506 HydrophobicContact CD1-CG 3.98Å; L206-W508 HydrophobicContact CB-CE3 3.82Å; L206-W508 HydrophobicContact CB-CH2 4.22Å; L206-W508 HydrophobicContact CB-CZ3 3.59Å; L206-W508 HydrophobicContact CD1-CE3 4.39Å; L206-W508 HydrophobicContact CD1-CH2 3.67Å; L206-W508 HydrophobicContact CD1-CZ2 3.87Å; L206-W508 HydrophobicContact CD1-CZ3 3.93Å; L206-W508 HydrophobicContact CG-CE3 4.48Å; L206-W508 HydrophobicContact CG-CZ3 4.3Å
207S83.2Confident79.8Confident56 Ų5683.9 Ų83.939%0.39241%0.414SS..EExtended strand (participates in β ladder)trans-90.2-41.4-178.563.20000111.8Q205 L507Q205-S207 PolarHBondContact O-N 3.48Å; S207-L507 PolarHBondContact N-O 3.21Å; S207-L507 PolarHBondContact OG-O 3.41Å
208L87.5Confident81.4Confident37 Ų3779.5 Ų79.519%0.19439%0.394CS..EExtended strand (participates in β ladder)trans-154.1147.5-171.2-142.5145000112.1I210 L245 N246 G247 L507L208-I210 HydrophobicContact CD2-CG1 4.12Å; L208-L245 WeakPolarHBondContact CD1-O 3.37Å; L208-N246 VanDerWaalsContact CD1-C 3.48Å; L208-G247 VanDerWaalsContact CD2-CA 3.4Å; L208-L507 HydrophobicContact CB-CB 4.17Å; L208-L507 HydrophobicContact CB-CD1 4.13Å; L208-L507 PolarHBondContact N-O 3.16Å; L208-L507 PolarHBondContact O-N 3.41Å
209V90.5Very high82.9Confident51 Ų5173.2 Ų73.231%0.30937%0.365SS..EExtended strand (participates in β ladder)trans-124.1123.1171.2-170.70000109.8L206 K211 L504 K506L206-V209 HydrophobicContact CD1-CG2 4.08Å; L206-V209 HydrophobicContact CD2-CG2 3.71Å; L206-V209 HydrophobicContact CG-CG2 4.33Å; V209-K211 HydrophobicContact CG1-CG 4.16Å; V209-L504 HydrophobicContact CG1-CB 4.44Å; V209-L504 HydrophobicContact CG1-CD2 4.08Å; V209-K506 HydrophobicContact CG1-CG 4.25Å; V209-K506 HydrophobicContact CG2-CG 4.23Å
210I89.9Confident84Confident3 Ų366.1 Ų66.12%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-95122.9167.7-62.1175000107.1L208 F212 L230 W242 L505L208-I210 HydrophobicContact CD2-CG1 4.12Å; I210-F212 HydrophobicContact CG2-CD2 4.44Å; I210-F212 HydrophobicContact CG2-CE2 3.93Å; I210-F212 HydrophobicContact CG2-CZ 4.39Å; I210-L230 HydrophobicContact CD1-CD2 4.01Å; I210-W242 HydrophobicContact CD1-CB 4.24Å; I210-W242 HydrophobicContact CD1-CD2 4.02Å; I210-W242 HydrophobicContact CD1-CE3 4Å; I210-W242 HydrophobicContact CD1-CG 4.13Å; I210-W242 HydrophobicContact CG1-CE3 4.43Å; I210-W242 HydrophobicContact CG2-CD2 4.09Å; I210-W242 HydrophobicContact CG2-CE3 3.86Å; I210-W242 HydrophobicContact CG2-CH2 3.47Å; I210-W242 VanDerWaalsContact CG2-CH2 3.47Å; I210-W242 HydrophobicContact CG2-CZ2 3.68Å; I210-W242 HydrophobicContact CG2-CZ3 3.56Å; I210-L505 HydrophobicContact CB-CB 4.23Å; I210-L505 HydrophobicContact CD1-CD2 4.22Å; I210-L505 PolarHBondContact N-O 3.48Å; I210-L505 PolarHBondContact O-N 3.46Å
211K88.4Confident84.9Confident162 Ų16265.8 Ų65.870%0.70433%0.333SS*.EExtended strand (participates in β ladder)trans-104.4125.5179.8-61.7-171.1174-179.60109.6V209 L504V209-K211 HydrophobicContact CG1-CG 4.16Å; K211-L504 HydrophobicContact CB-CD2 4.28Å; K211-L504 HydrophobicContact CD-CD2 4.36Å; K211-L504 HydrophobicContact CG-CD2 3.7Å
212F86.2Confident85.4Confident30 Ų3065.1 Ų65.113%0.13233%0.326CS..  trans-87.2171.3171-69.5-98.7000110.8I210 S216 P218 T232 E240 W242 G503 L505I210-F212 HydrophobicContact CG2-CD2 4.44Å; I210-F212 HydrophobicContact CG2-CE2 3.93Å; I210-F212 HydrophobicContact CG2-CZ 4.39Å; F212-S216 VanDerWaalsContact CB-O 3.23Å; F212-S216 WeakPolarHBondContact CB-O 3.23Å; F212-P218 HydrophobicContact CD2-CG 4.09Å; F212-P218 HydrophobicContact CE2-CB 4.09Å; F212-P218 HydrophobicContact CE2-CG 3.82Å; F212-P218 HydrophobicContact CZ-CB 4.03Å; F212-P218 HydrophobicContact CZ-CG 4.28Å; F212-T232 HydrophobicContact CZ-CG2 4.08Å; F212-E240 WeakPolarHBondContact CE1-OE2 3.13Å; F212-W242 AromaticContact CE1-CZ2 3.98Å; F212-W242 HydrophobicContact CE1-CZ2 3.98Å; F212-W242 AromaticContact CZ-CZ2 3.93Å; F212-W242 HydrophobicContact CZ-CZ2 3.93Å; F212-G503 WeakPolarHBondContact CB-O 3.07Å; F212-G503 WeakPolarHBondContact CD2-O 3.47Å; F212-G503 PolarHBondContact N-O 3.33Å; F212-L505 HydrophobicContact CE2-CB 3.99Å
213G79.6Confident86Confident47 Ų4764.2 Ų64.249%0.48532%0.322SS..  trans-63.4158.1176.400000112.2L215 S216G213-L215 PolarHBondContact O-N 3.24Å; G213-S216 PolarHBondContact O-N 2.85Å
214K74.7Confident86.4Confident220 Ų22064 Ų6496%0.95732%0.321SS*.THydrogen-bonded Turntrans-57.7-22.8-174.1-71.3-175177-177.50115.8
215L80.6Confident86.5Confident166 Ų16658.4 Ų58.487%0.86931%0.306SS*.THydrogen-bonded Turntrans-110.73-179.4-65.9171.4000112.4G213G213-L215 PolarHBondContact O-N 3.24Å
216S85.5Confident86.2Confident15 Ų1553.3 Ų53.311%0.10528%0.283CS..  trans-121.3131-172.5-161.40000109.6F212 G213 D236F212-S216 VanDerWaalsContact CB-O 3.23Å; F212-S216 WeakPolarHBondContact CB-O 3.23Å; G213-S216 PolarHBondContact O-N 2.85Å; S216-D236 WeakPolarHBondContact CB-OD2 3.48Å; S216-D236 PolarHBondContact OG-OD2 2.89Å
217H89.1Confident86Confident41 Ų4149.4 Ų49.419%0.1926%0.263CS..  trans-131.7153.5170.966-99.9000111E219 S234 V235 I485H217-E219 IonicContact CD2-OE1 2.7Å; H217-E219 IonicContact CE1-OE1 3.2Å; H217-E219 IonicContact NE2-OE1 2.65Å; H217-E219 PolarHBondContact NE2-OE1 3.45Å; H217-E219 PolarHBondContact O-N 3.03Å; H217-S234 WeakPolarHBondContact O-CA 3.13Å; H217-V235 WeakPolarHBondContact CE1-CG2 3.46Å; H217-V235 WeakPolarHBondContact NE2-CG2 3.32Å; H217-V235 PolarHBondContact O-N 3.13Å; H217-I485 WeakPolarHBondContact CD2-CD1 3.46Å
218P90.6Very high85.8Confident0 Ų048 Ų480%025%0.25CC..EExtended strand (participates in β ladder)trans-73.2122.4174.729.4-35.6000110.9F212 G233 I485 F499F212-P218 HydrophobicContact CD2-CG 4.09Å; F212-P218 HydrophobicContact CE2-CB 4.09Å; F212-P218 HydrophobicContact CE2-CG 3.82Å; F212-P218 HydrophobicContact CZ-CB 4.03Å; F212-P218 HydrophobicContact CZ-CG 4.28Å; P218-G233 CarbonylContact C-O 3.47Å; P218-I485 WeakPolarHBondContact O-CD1 3.45Å; P218-F499 HydrophobicContact CB-CB 4.37Å; P218-F499 HydrophobicContact CB-CD2 4.42Å; P218-F499 HydrophobicContact CG-CB 3.73Å; P218-F499 HydrophobicContact CG-CD2 4.4Å; P218-F499 HydrophobicContact CG-CG 4.43Å
219E88.2Confident85.6Confident56 Ų5647.6 Ų47.626%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-84.6-29.2172.2-79-71.9145.400111.8H217 G233 V235 V268 I485H217-E219 IonicContact CD2-OE1 2.7Å; H217-E219 IonicContact CE1-OE1 3.2Å; H217-E219 IonicContact NE2-OE1 2.65Å; H217-E219 PolarHBondContact NE2-OE1 3.45Å; H217-E219 PolarHBondContact O-N 3.03Å; E219-G233 PolarHBondContact N-O 3.19Å; E219-V235 HydrophobicContact CG-CB 4.46Å; E219-V235 HydrophobicContact CG-CG2 3.48Å; E219-V235 VanDerWaalsContact CG-CG2 3.48Å; E219-V235 WeakPolarHBondContact OE1-CG2 3.3Å; E219-V268 VanDerWaalsContact CB-O 3.31Å; E219-V268 WeakPolarHBondContact CB-O 3.39Å; E219-I485 WeakPolarHBondContact O-CG2 2.98Å
220C88.4Confident85.6Confident13 Ų1345.1 Ų45.19%0.08823%0.231CC..EExtended strand (participates in β ladder)trans-146.6146.6174.459.50000111.2T232 G233 V268 L271C220-T232 CarbonylContact O-C 3.52Å; C220-T232 VanDerWaalsContact O-CA 3.29Å; C220-T232 WeakPolarHBondContact O-CA 3.19Å; C220-G233 PolarHBondContact N-O 3.25Å; C220-G233 PolarHBondContact O-N 3.35Å; C220-V268 PolarHBondContact SG-O 3.05Å; C220-L271 VanDerWaalsContact SG-CD1 3.54Å; C220-L271 VanDerWaalsContact SG-CG 3.51Å
221A91.2Very high85.6Confident9 Ų945 Ų457%0.07423%0.231CC..EExtended strand (participates in β ladder)trans-137.3138.1170.800000109.8L230 V231 T232 C488 F499 L505A221-L230 HydrophobicContact CB-CD1 4.38Å; A221-V231 WeakPolarHBondContact CA-O 3.03Å; A221-T232 HydrophobicContact CB-CG2 3.91Å; A221-C488 PolarHBondContact O-SG 3.33Å; A221-C488 VanDerWaalsContact O-SG 3.4Å; A221-F499 HydrophobicContact CB-CD1 3.49Å; A221-F499 VanDerWaalsContact CB-CD1 3.49Å; A221-F499 HydrophobicContact CB-CE1 3.49Å; A221-F499 VanDerWaalsContact CB-CE1 3.49Å; A221-F499 HydrophobicContact CB-CG 4.15Å; A221-F499 HydrophobicContact CB-CZ 4.15Å; A221-L505 HydrophobicContact CB-CD1 3.86Å
222I91.1Very high85.8Confident51 Ų5137.3 Ų37.326%0.26220%0.197SC..EExtended strand (participates in β ladder)trans-147.1138.5-179.8-174.1165000110.4V231 L271 F273I222-V231 PolarHBondContact N-O 2.9Å; I222-V231 PolarHBondContact O-N 3.07Å; I222-L271 HydrophobicContact CG2-CB 3.82Å; I222-F273 HydrophobicContact CD1-CD2 4.39Å; I222-F273 HydrophobicContact CG1-CD2 4.16Å; I222-F273 HydrophobicContact CG2-CD2 3.72Å; I222-F273 HydrophobicContact CG2-CE2 3.77Å
223F90.6Very high85.9Confident11 Ų1135.9 Ų35.95%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-79.7143.2170.3-73.1-79.9000110.5Y229 L230 Y244 C488 H489 H490 L495 A497 L507F223-Y229 CarbonylContact C-O 3.6Å; F223-Y229 WeakPolarHBondContact CA-O 3.44Å; F223-L230 HydrophobicContact CD1-CB 4.09Å; F223-L230 HydrophobicContact CD1-CD1 4.06Å; F223-L230 HydrophobicContact CD2-CD1 4.26Å; F223-L230 HydrophobicContact CE1-CB 3.87Å; F223-L230 HydrophobicContact CE1-CD1 3.86Å; F223-L230 HydrophobicContact CE1-CG 4.3Å; F223-L230 HydrophobicContact CE2-CD1 4.07Å; F223-L230 HydrophobicContact CG-CD1 4.27Å; F223-L230 HydrophobicContact CZ-CD1 3.86Å; F223-Y244 HydrophobicContact CE1-CG 4.07Å; F223-C488 HydrophobicContact CD2-CB 4.43Å; F223-H489 WeakPolarHBondContact CD2-O 3.47Å; F223-H490 HydrophobicContact CD1-CB 4.49Å; F223-H490 AromaticContact CD1-CD2 3.67Å; F223-H490 HydrophobicContact CD2-CB 4.4Å; F223-H490 HydrophobicContact CE1-CB 4.43Å; F223-H490 AromaticContact CE1-CD2 3.85Å; F223-H490 HydrophobicContact CE2-CB 4.34Å; F223-H490 HydrophobicContact CG-CB 4.46Å; F223-H490 HydrophobicContact CZ-CB 4.36Å; F223-L495 HydrophobicContact CE1-CD2 4.15Å; F223-L495 HydrophobicContact CE2-CD2 4.22Å; F223-L495 HydrophobicContact CZ-CD2 3.46Å; F223-L495 VanDerWaalsContact CZ-CD2 3.46Å; F223-A497 HydrophobicContact CE2-CB 3.7Å; F223-A497 HydrophobicContact CZ-CB 3.97Å; F223-L507 HydrophobicContact CZ-CD2 4.06Å
224S87.8Confident86.4Confident0 Ų033.8 Ų33.80%017%0.168CC..  trans-64.2147.5168.660.80000110D226 G227 Q228 Y229 F273 P491S224-D226 WeakPolarHBondContact CB-OD1 3.45Å; S224-D226 PolarHBondContact O-N 3.37Å; S224-D226 VanDerWaalsContact O-N 3.08Å; S224-D226 PolarHBondContact OG-OD1 3Å; S224-G227 WeakPolarHBondContact O-CA 3.5Å; S224-G227 PolarHBondContact O-N 2.98Å; S224-Q228 PolarHBondContact OG-N 3.24Å; S224-Q228 VanDerWaalsContact OG-N 3.15Å; S224-Y229 PolarHBondContact N-O 2.57Å; S224-Y229 PolarHBondContact OG-N 3.03Å; S224-Y229 PolarHBondContact OG-O 3.47Å; S224-F273 VanDerWaalsContact CB-CE1 3.5Å; S224-P491 WeakPolarHBondContact O-CG 3.44Å
225P83.1Confident87Confident49 Ų4925.5 Ų25.532%0.31814%0.136SC..THydrogen-bonded Turntrans-60.6-21.4-178.6-28.336.8000114.8G227 F273 H492P225-G227 VanDerWaalsContact C-N 3.32Å; P225-F273 HydrophobicContact CG-CB 4.06Å; P225-H492 PolarHBondContact O-NE2 3.01Å; P225-H492 VanDerWaalsContact O-NE2 3.16Å
226D78.5Confident87.2Confident21 Ų2121.4 Ų21.411%0.11212%0.115CC..THydrogen-bonded Turntrans-88.41.7174.168.7-16.4000113.5K191 S224 Q228 S277K191-D226 IonicContact NZ-OD2 3.26Å; K191-D226 PolarHBondContact NZ-OD2 2.96Å; S224-D226 WeakPolarHBondContact CB-OD1 3.45Å; S224-D226 PolarHBondContact O-N 3.37Å; S224-D226 VanDerWaalsContact O-N 3.08Å; S224-D226 PolarHBondContact OG-OD1 3Å; D226-Q228 HydrophobicContact CB-CG 4.5Å; D226-Q228 PolarHBondContact O-N 3.26Å; D226-Q228 PolarHBondContact OD1-N 2.91Å; D226-S277 VanDerWaalsContact CG-OG 3.32Å; D226-S277 WeakPolarHBondContact OD1-CB 3.46Å; D226-S277 PolarHBondContact OD2-OG 3.42Å; D226-S277 VanDerWaalsContact OD2-OG 3.08Å
227G80.6Confident87.2Confident0 Ų020.7 Ų20.70%011%0.11CC..SBendtrans73.1-1.2178.900000115.2S224 P225 Y229 Y244 H490S224-G227 WeakPolarHBondContact O-CA 3.5Å; S224-G227 PolarHBondContact O-N 2.98Å; P225-G227 VanDerWaalsContact C-N 3.32Å; G227-Y229 PolarHBondContact O-N 3.48Å; G227-Y244 WeakPolarHBondContact O-CE1 3.13Å; G227-H490 WeakPolarHBondContact CA-NE2 3.39Å; G227-H490 PolarHBondContact O-NE2 2.96Å
228Q79Confident87.1Confident25 Ų2522.1 Ų22.112%0.11712%0.116CC..SBendtrans-79.6-24.6-170.1-66.2-166.3-4.700115K191 S224 D226 R250K191-Q228 VanDerWaalsContact CB-NE2 3.27Å; K191-Q228 VanDerWaalsContact CG-NE2 3.25Å; S224-Q228 PolarHBondContact OG-N 3.24Å; S224-Q228 VanDerWaalsContact OG-N 3.15Å; D226-Q228 HydrophobicContact CB-CG 4.5Å; D226-Q228 PolarHBondContact O-N 3.26Å; D226-Q228 PolarHBondContact OD1-N 2.91Å; Q228-R250 PolarHBondContact O-NH2 2.72Å; Q228-R250 VanDerWaalsContact O-NH2 3.08Å
229Y84.2Confident87Confident29 Ų2922.1 Ų22.111%0.11412%0.116CC..  trans-127.5134.4-170.3-53-76.2000109.8F223 S224 G227 V241 R250F223-Y229 CarbonylContact C-O 3.6Å; F223-Y229 WeakPolarHBondContact CA-O 3.44Å; S224-Y229 PolarHBondContact N-O 2.57Å; S224-Y229 PolarHBondContact OG-N 3.03Å; S224-Y229 PolarHBondContact OG-O 3.47Å; G227-Y229 PolarHBondContact O-N 3.48Å; Y229-V241 HydrophobicContact CD1-CG1 3.57Å; Y229-V241 HydrophobicContact CE1-CG1 4.48Å; Y229-V241 HydrophobicContact CG-CG1 4.1Å; Y229-R250 PolarHBondContact OH-NH1 3.16Å
230L90Very high87Confident0 Ų021 Ų210%011%0.111CC..EExtended strand (participates in β ladder)trans-101.6120.2161.1172.964.9000107I210 A221 F223 T232 W242 L505 L507I210-L230 HydrophobicContact CD1-CD2 4.01Å; A221-L230 HydrophobicContact CB-CD1 4.38Å; F223-L230 HydrophobicContact CD1-CB 4.09Å; F223-L230 HydrophobicContact CD1-CD1 4.06Å; F223-L230 HydrophobicContact CD2-CD1 4.26Å; F223-L230 HydrophobicContact CE1-CB 3.87Å; F223-L230 HydrophobicContact CE1-CD1 3.86Å; F223-L230 HydrophobicContact CE1-CG 4.3Å; F223-L230 HydrophobicContact CE2-CD1 4.07Å; F223-L230 HydrophobicContact CG-CD1 4.27Å; F223-L230 HydrophobicContact CZ-CD1 3.86Å; L230-T232 HydrophobicContact CG-CG2 4.5Å; L230-W242 HydrophobicContact CB-CB 4.21Å; L230-W242 HydrophobicContact CD2-CB 4.49Å; L230-W242 PolarHBondContact N-O 2.98Å; L230-W242 VanDerWaalsContact N-O 3.13Å; L230-W242 WeakPolarHBondContact O-CB 3.48Å; L230-W242 PolarHBondContact O-N 3.17Å; L230-L505 HydrophobicContact CD2-CD1 4.16Å; L230-L505 HydrophobicContact CD2-CD2 3.94Å; L230-L507 HydrophobicContact CD2-CD2 4.21Å
231V90.9Very high87.1Confident1 Ų120.3 Ų20.31%0.00611%0.106CC..EExtended strand (participates in β ladder)trans-113.4130.8179.7-177.40000109.5A221 I222 I239 E240 V241 L271 F273A221-V231 WeakPolarHBondContact CA-O 3.03Å; I222-V231 PolarHBondContact N-O 2.9Å; I222-V231 PolarHBondContact O-N 3.07Å; V231-I239 HydrophobicContact CG1-CG2 3.42Å; V231-I239 VanDerWaalsContact CG1-CG2 3.42Å; V231-E240 CarbonylContact C-O 3.44Å; V231-E240 VanDerWaalsContact CA-O 3.3Å; V231-E240 WeakPolarHBondContact CA-O 3.29Å; V231-V241 HydrophobicContact CG2-CB 4.34Å; V231-V241 HydrophobicContact CG2-CG1 4.07Å; V231-V241 HydrophobicContact CG2-CG2 3.98Å; V231-L271 HydrophobicContact CG1-CD1 3.98Å; V231-F273 HydrophobicContact CB-CE2 3.86Å; V231-F273 HydrophobicContact CB-CZ 3.99Å; V231-F273 HydrophobicContact CG2-CE1 4.48Å; V231-F273 HydrophobicContact CG2-CE2 3.76Å; V231-F273 HydrophobicContact CG2-CZ 3.34Å
232T91.2Very high87Confident0 Ų020.8 Ų20.80%011%0.106CC..EExtended strand (participates in β ladder)trans-119.1139.9179.859.70000110F212 C220 A221 L230 I239 E240 W242 L505F212-T232 HydrophobicContact CZ-CG2 4.08Å; C220-T232 CarbonylContact O-C 3.52Å; C220-T232 VanDerWaalsContact O-CA 3.29Å; C220-T232 WeakPolarHBondContact O-CA 3.19Å; A221-T232 HydrophobicContact CB-CG2 3.91Å; L230-T232 HydrophobicContact CG-CG2 4.5Å; T232-I239 CarbonylContact O-C 3.47Å; T232-I239 WeakPolarHBondContact O-CA 3.21Å; T232-E240 PolarHBondContact N-O 3.15Å; T232-E240 PolarHBondContact O-N 3.37Å; T232-W242 PolarHBondContact OG1-NE1 3.16Å; T232-L505 HydrophobicContact CG2-CD1 3.47Å; T232-L505 VanDerWaalsContact CG2-CD1 3.47Å
233G89.1Confident86.7Confident0 Ų019 Ų190%010%0.097CC..EExtended strand (participates in β ladder)trans-107.5123.3168.500000109.2P218 E219 C220 F238P218-G233 CarbonylContact C-O 3.47Å; E219-G233 PolarHBondContact N-O 3.19Å; C220-G233 PolarHBondContact N-O 3.25Å; C220-G233 PolarHBondContact O-N 3.35Å; G233-F238 WeakPolarHBondContact CA-O 3.11Å
234S90Very high86.4Confident2 Ų219 Ų191%0.01410%0.097CC..EExtended strand (participates in β ladder)trans-92.916517968.40000112.6H217 D236 G237 F238 V268H217-S234 WeakPolarHBondContact O-CA 3.13Å; S234-D236 PolarHBondContact O-N 3.39Å; S234-G237 PolarHBondContact O-N 3.39Å; S234-G237 VanDerWaalsContact O-N 3.17Å; S234-F238 PolarHBondContact N-O 3.09Å; S234-F238 PolarHBondContact OG-N 2.9Å; S234-F238 PolarHBondContact OG-O 2.9Å; S234-V268 PolarHBondContact O-N 2.82Å; S234-V268 VanDerWaalsContact O-N 3.15Å
235V87.1Confident86.1Confident47 Ų4723.2 Ų23.229%0.28512%0.119SC..THydrogen-bonded Turntrans-59.3-32.6170.5178.80000112.3H217 E219 G237 A267H217-V235 WeakPolarHBondContact CE1-CG2 3.46Å; H217-V235 WeakPolarHBondContact NE2-CG2 3.32Å; H217-V235 PolarHBondContact O-N 3.13Å; E219-V235 HydrophobicContact CG-CB 4.46Å; E219-V235 HydrophobicContact CG-CG2 3.48Å; E219-V235 VanDerWaalsContact CG-CG2 3.48Å; E219-V235 WeakPolarHBondContact OE1-CG2 3.3Å; V235-G237 PolarHBondContact O-N 2.9Å; V235-G237 VanDerWaalsContact O-N 3.09Å; V235-A267 HydrophobicContact CG1-CB 4.26Å; V235-A267 WeakPolarHBondContact O-CA 3.37Å; V235-A267 VanDerWaalsContact O-CB 3.29Å; V235-A267 WeakPolarHBondContact O-CB 3.15Å; V235-A267 PolarHBondContact O-N 2.77Å
236D86.1Confident86Confident80 Ų8024.2 Ų24.243%0.42812%0.122SC..THydrogen-bonded Turntrans-72.4-0.9-180-59-32.1000113S216 S234 F238S216-D236 WeakPolarHBondContact CB-OD2 3.48Å; S216-D236 PolarHBondContact OG-OD2 2.89Å; S234-D236 PolarHBondContact O-N 3.39Å; D236-F238 VanDerWaalsContact C-N 3.34Å; D236-F238 HydrophobicContact CB-CD2 3.75Å; D236-F238 HydrophobicContact CB-CE2 4.11Å
237G84.6Confident86.1Confident0 Ų023.9 Ų23.90%012%0.123CC..SBendtrans85.54.3-179.900000113.9S234 V235 M263 M264 D266S234-G237 PolarHBondContact O-N 3.39Å; S234-G237 VanDerWaalsContact O-N 3.17Å; V235-G237 PolarHBondContact O-N 2.9Å; V235-G237 VanDerWaalsContact O-N 3.09Å; G237-M263 CarbonylContact O-C 3.53Å; G237-M263 WeakPolarHBondContact O-CA 3.18Å; G237-M264 PolarHBondContact O-N 3.07Å; G237-D266 VanDerWaalsContact CA-O 3.3Å; G237-D266 WeakPolarHBondContact CA-O 3.32Å
238F87.5Confident86.2Confident70 Ų7030.6 Ų30.631%0.30715%0.152SC..EExtended strand (participates in β ladder)trans-81.2142.5176.2-68.5-70.3000111.5G233 S234 D236 E240 F261 M263G233-F238 WeakPolarHBondContact CA-O 3.11Å; S234-F238 PolarHBondContact N-O 3.09Å; S234-F238 PolarHBondContact OG-N 2.9Å; S234-F238 PolarHBondContact OG-O 2.9Å; D236-F238 VanDerWaalsContact C-N 3.34Å; D236-F238 HydrophobicContact CB-CD2 3.75Å; D236-F238 HydrophobicContact CB-CE2 4.11Å; F238-E240 HydrophobicContact CB-CG 4.49Å; F238-F261 HydrophobicContact CD1-CB 3.7Å; F238-F261 HydrophobicContact CD1-CG 4.28Å; F238-F261 HydrophobicContact CE1-CB 4.18Å; F238-M263 HydrophobicContact CD1-CB 4.15Å; F238-M263 HydrophobicContact CE1-CB 4.13Å
239I88.1Confident86.5Confident0 Ų032 Ų320%016%0.16CC..EExtended strand (participates in β ladder)trans-116.7115.6171.6-51.1157.7000107.6V231 T232 M262 V268 L271 T282V231-I239 HydrophobicContact CG1-CG2 3.42Å; V231-I239 VanDerWaalsContact CG1-CG2 3.42Å; T232-I239 CarbonylContact O-C 3.47Å; T232-I239 WeakPolarHBondContact O-CA 3.21Å; I239-M262 HydrophobicContact CB-CB 4.1Å; I239-M262 HydrophobicContact CB-CE 3.54Å; I239-M262 HydrophobicContact CD1-CB 4.16Å; I239-M262 HydrophobicContact CD1-CE 4.06Å; I239-M262 HydrophobicContact CG1-CE 4.44Å; I239-M262 HydrophobicContact CG2-CE 3.27Å; I239-M262 PolarHBondContact N-O 2.83Å; I239-V268 HydrophobicContact CG1-CG1 4.39Å; I239-V268 HydrophobicContact CG1-CG2 3.96Å; I239-L271 HydrophobicContact CD1-CD2 4.4Å; I239-L271 HydrophobicContact CG1-CD2 4.46Å; I239-L271 HydrophobicContact CG2-CD1 4.23Å; I239-L271 HydrophobicContact CG2-CD2 4.21Å; I239-T282 HydrophobicContact CD1-CG2 3.26Å; I239-T282 HydrophobicContact CG1-CG2 4.29Å
240E88.8Confident86.2Confident32 Ų3232.8 Ų32.815%0.1516%0.163CC..EExtended strand (participates in β ladder)trans-114133.8-172.9-66.6179.2140.300110F212 V231 T232 F238 W242 L249 F261F212-E240 WeakPolarHBondContact CE1-OE2 3.13Å; V231-E240 CarbonylContact C-O 3.44Å; V231-E240 VanDerWaalsContact CA-O 3.3Å; V231-E240 WeakPolarHBondContact CA-O 3.29Å; T232-E240 PolarHBondContact N-O 3.15Å; T232-E240 PolarHBondContact O-N 3.37Å; F238-E240 HydrophobicContact CB-CG 4.49Å; E240-W242 HydrophobicContact CB-CZ2 4.34Å; E240-W242 WeakPolarHBondContact OE2-CZ2 3.3Å; E240-L249 HydrophobicContact CB-CD2 3.81Å; E240-L249 HydrophobicContact CG-CD2 4.17Å; E240-F261 HydrophobicContact CG-CD1 4.24Å; E240-F261 HydrophobicContact CG-CE1 4.36Å
241V90Very high85.5Confident0 Ų040.6 Ų40.60%020%0.197CC..EExtended strand (participates in β ladder)trans-101.7123.8173.8-170.30000109Y229 V231 R250 L253 Q256 I290Y229-V241 HydrophobicContact CD1-CG1 3.57Å; Y229-V241 HydrophobicContact CE1-CG1 4.48Å; Y229-V241 HydrophobicContact CG-CG1 4.1Å; V231-V241 HydrophobicContact CG2-CB 4.34Å; V231-V241 HydrophobicContact CG2-CG1 4.07Å; V231-V241 HydrophobicContact CG2-CG2 3.98Å; V241-R250 PolarHBondContact O-N 2.93Å; V241-L253 HydrophobicContact CB-CD1 3.84Å; V241-L253 HydrophobicContact CG1-CD1 3.92Å; V241-L253 HydrophobicContact CG2-CD1 3.98Å; V241-Q256 PolarHBondContact O-NE2 2.83Å; V241-Q256 VanDerWaalsContact O-NE2 3.13Å; V241-Q256 PolarHBondContact O-OE1 2.88Å; V241-I290 HydrophobicContact CG2-CG2 4.29Å
242W88.3Confident84.7Confident19 Ų1944.7 Ų44.77%0.07222%0.219CC..EExtended strand (participates in β ladder)trans-112.7147.5-177.3-57.987.8000110.4I210 F212 L230 T232 E240 G247 L249I210-W242 HydrophobicContact CD1-CB 4.24Å; I210-W242 HydrophobicContact CD1-CD2 4.02Å; I210-W242 HydrophobicContact CD1-CE3 4Å; I210-W242 HydrophobicContact CD1-CG 4.13Å; I210-W242 HydrophobicContact CG1-CE3 4.43Å; I210-W242 HydrophobicContact CG2-CD2 4.09Å; I210-W242 HydrophobicContact CG2-CE3 3.86Å; I210-W242 HydrophobicContact CG2-CH2 3.47Å; I210-W242 VanDerWaalsContact CG2-CH2 3.47Å; I210-W242 HydrophobicContact CG2-CZ2 3.68Å; I210-W242 HydrophobicContact CG2-CZ3 3.56Å; F212-W242 AromaticContact CE1-CZ2 3.98Å; F212-W242 HydrophobicContact CE1-CZ2 3.98Å; F212-W242 AromaticContact CZ-CZ2 3.93Å; F212-W242 HydrophobicContact CZ-CZ2 3.93Å; L230-W242 HydrophobicContact CB-CB 4.21Å; L230-W242 HydrophobicContact CD2-CB 4.49Å; L230-W242 PolarHBondContact N-O 2.98Å; L230-W242 VanDerWaalsContact N-O 3.13Å; L230-W242 WeakPolarHBondContact O-CB 3.48Å; L230-W242 PolarHBondContact O-N 3.17Å; T232-W242 PolarHBondContact OG1-NE1 3.16Å; E240-W242 HydrophobicContact CB-CZ2 4.34Å; E240-W242 WeakPolarHBondContact OE2-CZ2 3.3Å; W242-G247 WeakPolarHBondContact CZ3-O 3.03Å; W242-L249 HydrophobicContact CD2-CD2 3.75Å; W242-L249 HydrophobicContact CD2-CG 4.41Å; W242-L249 HydrophobicContact CE3-CD2 3.86Å; W242-L249 HydrophobicContact CE3-CG 4Å; W242-L249 HydrophobicContact CG-CD2 4.49Å; W242-L249 HydrophobicContact CH2-CD2 3.75Å; W242-L249 HydrophobicContact CH2-CG 3.89Å; W242-L249 HydrophobicContact CZ2-CD2 3.65Å; W242-L249 HydrophobicContact CZ2-CG 4.31Å; W242-L249 HydrophobicContact CZ3-CD2 3.85Å; W242-L249 HydrophobicContact CZ3-CG 3.72Å
243N85.3Confident83.9Confident13 Ų1345.3 Ų45.37%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-86113.4159.1-179.5-11.7000108L245 N246 G247 K248 R250N243-L245 PolarHBondContact O-N 3.39Å; N243-L245 WeakPolarHBondContact OD1-CB 3.39Å; N243-L245 PolarHBondContact OD1-N 3.42Å; N243-L245 VanDerWaalsContact OD1-N 3.07Å; N243-N246 WeakPolarHBondContact CB-OD1 3.35Å; N243-N246 PolarHBondContact O-N 3.39Å; N243-N246 PolarHBondContact O-OD1 3.1Å; N243-N246 VanDerWaalsContact O-OD1 3.14Å; N243-G247 WeakPolarHBondContact O-CA 3.17Å; N243-G247 PolarHBondContact O-N 3.09Å; N243-K248 PolarHBondContact N-O 3.08Å; N243-R250 HydrophobicContact CB-CG 3.98Å
244Y83.7Confident83.1Confident10 Ų1052.9 Ų52.94%0.03926%0.255CS..THydrogen-bonded Turntrans-67.7-22.2-174.972.5-84.4000113.3F223 G227 H490 Q493 L495 L507F223-Y244 HydrophobicContact CE1-CG 4.07Å; G227-Y244 WeakPolarHBondContact O-CE1 3.13Å; Y244-H490 AromaticContact CE1-NE2 3.85Å; Y244-H490 AromaticContact CZ-CD2 3.99Å; Y244-H490 AromaticContact CZ-NE2 3.55Å; Y244-Q493 VanDerWaalsContact CE2-OE1 3.28Å; Y244-Q493 PolarHBondContact OH-OE1 3.23Å; Y244-L495 HydrophobicContact CD2-CD1 4.26Å; Y244-L495 HydrophobicContact CD2-CD2 4.41Å; Y244-L507 WeakPolarHBondContact O-CD1 3.27Å
245L81.4Confident82.5Confident89 Ų8953.8 Ų53.847%0.46626%0.258SS..THydrogen-bonded Turntrans-72.8-32-179.3-65.3170.6000113P180 L208 N243P180-L245 HydrophobicContact CG-CD1 4.2Å; L208-L245 WeakPolarHBondContact CD1-O 3.37Å; N243-L245 PolarHBondContact O-N 3.39Å; N243-L245 WeakPolarHBondContact OD1-CB 3.39Å; N243-L245 PolarHBondContact OD1-N 3.42Å; N243-L245 VanDerWaalsContact OD1-N 3.07Å
246N81.9Confident82Confident71 Ų7151.9 Ų51.938%0.3825%0.246SC..THydrogen-bonded Turntrans-119.8-5.8-176.46712.1000113.5L208 N243 K248L208-N246 VanDerWaalsContact CD1-C 3.48Å; N243-N246 WeakPolarHBondContact CB-OD1 3.35Å; N243-N246 PolarHBondContact O-N 3.39Å; N243-N246 PolarHBondContact O-OD1 3.1Å; N243-N246 VanDerWaalsContact O-OD1 3.14Å; N246-K248 PolarHBondContact O-N 2.82Å; N246-K248 WeakPolarHBondContact OD1-CB 3.3Å; N246-K248 PolarHBondContact OD1-N 2.92Å
247G80Confident81.3Confident13 Ų1350.5 Ų50.513%0.13425%0.246CC..THydrogen-bonded Turntrans61.122.8-176.800000114.8L208 W242 N243L208-G247 VanDerWaalsContact CD2-CA 3.4Å; W242-G247 WeakPolarHBondContact CZ3-O 3.03Å; N243-G247 WeakPolarHBondContact O-CA 3.17Å; N243-G247 PolarHBondContact O-N 3.09Å
248K84.2Confident80.7Confident142 Ų14259.3 Ų59.362%0.61728%0.279SS*.EExtended strand (participates in β ladder)trans-102.9148.2177.3-63.1-176.9-178.5177.80110.2N243 N246 R250N243-K248 PolarHBondContact N-O 3.08Å; N246-K248 PolarHBondContact O-N 2.82Å; N246-K248 WeakPolarHBondContact OD1-CB 3.3Å; N246-K248 PolarHBondContact OD1-N 2.92Å; K248-R250 PolarHBondContact O-N 3.13Å
249L84.4Confident80Confident54 Ų5461.7 Ų61.728%0.28330%0.295SS..EExtended strand (participates in β ladder)trans-57.1136.4170-66.9168.2000109.8E240 W242 K251 F261E240-L249 HydrophobicContact CB-CD2 3.81Å; E240-L249 HydrophobicContact CG-CD2 4.17Å; W242-L249 HydrophobicContact CD2-CD2 3.75Å; W242-L249 HydrophobicContact CD2-CG 4.41Å; W242-L249 HydrophobicContact CE3-CD2 3.86Å; W242-L249 HydrophobicContact CE3-CG 4Å; W242-L249 HydrophobicContact CG-CD2 4.49Å; W242-L249 HydrophobicContact CH2-CD2 3.75Å; W242-L249 HydrophobicContact CH2-CG 3.89Å; W242-L249 HydrophobicContact CZ2-CD2 3.65Å; W242-L249 HydrophobicContact CZ2-CG 4.31Å; W242-L249 HydrophobicContact CZ3-CD2 3.85Å; W242-L249 HydrophobicContact CZ3-CG 3.72Å; L249-K251 PolarHBondContact O-N 3.31Å; L249-F261 HydrophobicContact CD1-CE1 4.34Å; L249-F261 HydrophobicContact CD1-CZ 4.42Å
250R78.4Confident79.2Confident45 Ų4567.1 Ų67.117%0.1732%0.324CS..  trans-72.8104178-93.1-148.7-174.2-168.511.1110.5Q228 Y229 V241 N243 K248 D252 L253 Q256Q228-R250 PolarHBondContact O-NH2 2.72Å; Q228-R250 VanDerWaalsContact O-NH2 3.08Å; Y229-R250 PolarHBondContact OH-NH1 3.16Å; V241-R250 PolarHBondContact O-N 2.93Å; N243-R250 HydrophobicContact CB-CG 3.98Å; K248-R250 PolarHBondContact O-N 3.13Å; R250-D252 VanDerWaalsContact C-N 3.25Å; R250-D252 PolarHBondContact O-N 3.22Å; R250-L253 HydrophobicContact CB-CD1 4.32Å; R250-L253 HydrophobicContact CB-CG 4.49Å; R250-Q256 PolarHBondContact O-OE1 3.12Å
251K74.6Confident78.4Confident165 Ų16567.6 Ų67.672%0.71733%0.326SS*.THydrogen-bonded Turntrans-79.4-3.8173.7-64.4-169.4176.1-168.60114.1L249 L253 A257L249-K251 PolarHBondContact O-N 3.31Å; K251-L253 PolarHBondContact O-N 2.97Å; K251-A257 HydrophobicContact CB-CB 4.27Å; K251-A257 WeakPolarHBondContact O-CB 3.45Å
252D73.4Confident77.7Confident86 Ų8667.7 Ų67.746%0.4633%0.326SS..THydrogen-bonded Turntrans-68.3-27.2171.4-55-34.6000111.3L178 R250 K254L178-D252 WeakPolarHBondContact CD2-OD2 3.43Å; R250-D252 VanDerWaalsContact C-N 3.25Å; R250-D252 PolarHBondContact O-N 3.22Å; D252-K254 PolarHBondContact O-N 3.3Å
253L75.8Confident77.3Confident13 Ų1372 Ų727%0.06835%0.348CS..SBendtrans-76.9106.1174-64.3174.9000108.6V241 R250 K251 Y255 Q256 A257 I290V241-L253 HydrophobicContact CB-CD1 3.84Å; V241-L253 HydrophobicContact CG1-CD1 3.92Å; V241-L253 HydrophobicContact CG2-CD1 3.98Å; R250-L253 HydrophobicContact CB-CD1 4.32Å; R250-L253 HydrophobicContact CB-CG 4.49Å; K251-L253 PolarHBondContact O-N 2.97Å; L253-Y255 HydrophobicContact CB-CD1 4.04Å; L253-Y255 HydrophobicContact CB-CE1 3.62Å; L253-Y255 HydrophobicContact CD1-CE1 4.08Å; L253-Y255 WeakPolarHBondContact CD1-OH 3.32Å; L253-Y255 HydrophobicContact CD2-CE1 4.14Å; L253-Y255 HydrophobicContact CG-CE1 4.14Å; L253-Y255 PolarHBondContact O-N 3.11Å; L253-Q256 HydrophobicContact CB-CB 4.17Å; L253-Q256 PolarHBondContact O-N 2.84Å; L253-A257 PolarHBondContact O-N 2.91Å; L253-I290 HydrophobicContact CD1-CG2 4.46Å
254K71Confident76.7Confident160 Ų16071.8 Ų71.870%0.69635%0.347SS*.THydrogen-bonded Turntrans-52.4-33.3-173.6-70.8-177.3179.7176.90113.9D252 R258D252-K254 PolarHBondContact O-N 3.3Å; K254-R258 VanDerWaalsContact O-CG 3.27Å; K254-R258 WeakPolarHBondContact O-CG 3.29Å; K254-R258 PolarHBondContact O-N 2.9Å
255Y78Confident76.2Confident21 Ų2178.6 Ų78.68%0.08238%0.379CS..THydrogen-bonded Turntrans-70.4-44.417966.9-92000111.1L253 R258 D259 N260 M262 I290 S292 G293L253-Y255 HydrophobicContact CB-CD1 4.04Å; L253-Y255 HydrophobicContact CB-CE1 3.62Å; L253-Y255 HydrophobicContact CD1-CE1 4.08Å; L253-Y255 WeakPolarHBondContact CD1-OH 3.32Å; L253-Y255 HydrophobicContact CD2-CE1 4.14Å; L253-Y255 HydrophobicContact CG-CE1 4.14Å; L253-Y255 PolarHBondContact O-N 3.11Å; Y255-R258 CarbonylContact O-C 3.51Å; Y255-R258 PolarHBondContact O-N 3.26Å; Y255-R258 VanDerWaalsContact O-N 3.13Å; Y255-D259 PolarHBondContact O-N 3.14Å; Y255-N260 WeakPolarHBondContact CB-O 3.31Å; Y255-N260 WeakPolarHBondContact CD2-O 3.29Å; Y255-N260 WeakPolarHBondContact O-CA 3.03Å; Y255-N260 PolarHBondContact O-N 3.29Å; Y255-M262 HydrophobicContact CE2-CG 4.05Å; Y255-I290 WeakPolarHBondContact CE1-O 3.35Å; Y255-I290 PolarHBondContact OH-O 2.8Å; Y255-S292 VanDerWaalsContact CD1-C 3.45Å; Y255-S292 WeakPolarHBondContact CD1-O 3.46Å; Y255-G293 VanDerWaalsContact CD1-CA 3.5Å
256Q77.2Confident76.1Confident7 Ų778.3 Ų78.33%0.03338%0.378CS..G310 helixtrans-72.8-32.3-178.9-140.7178-1.900111.6V241 R250 L253 R258 D259 F261V241-Q256 PolarHBondContact O-NE2 2.83Å; V241-Q256 VanDerWaalsContact O-NE2 3.13Å; V241-Q256 PolarHBondContact O-OE1 2.88Å; R250-Q256 PolarHBondContact O-OE1 3.12Å; L253-Q256 HydrophobicContact CB-CB 4.17Å; L253-Q256 PolarHBondContact O-N 2.84Å; Q256-R258 PolarHBondContact O-N 3.42Å; Q256-D259 PolarHBondContact O-N 3.43Å; Q256-F261 HydrophobicContact CG-CD1 3.59Å; Q256-F261 HydrophobicContact CG-CE1 3.34Å; Q256-F261 HydrophobicContact CG-CZ 4.3Å
257A71.1Confident76.1Confident50 Ų5076.2 Ų76.241%0.41337%0.37SS..G310 helixtrans-66.7-20.3171.500000113.9K251 L253K251-A257 HydrophobicContact CB-CB 4.27Å; K251-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 2.91Å
258R72Confident76.1Confident186 Ų18675.6 Ų75.670%0.70236%0.364SS*.G310 helixtrans-104.513.3177.4-67.8177.3-179.2-174.5-0.8112.2K254 Y255 Q256 N260K254-R258 VanDerWaalsContact O-CG 3.27Å; K254-R258 WeakPolarHBondContact O-CG 3.29Å; K254-R258 PolarHBondContact O-N 2.9Å; Y255-R258 CarbonylContact O-C 3.51Å; Y255-R258 PolarHBondContact O-N 3.26Å; Y255-R258 VanDerWaalsContact O-N 3.13Å; Q256-R258 PolarHBondContact O-N 3.42Å; R258-N260 PolarHBondContact O-N 2.88Å
259D72.2Confident75.8Confident120 Ų12071.3 Ų71.364%0.64235%0.35SS*.THydrogen-bonded Turntrans55.818.5-175.7-57.1-32.3000114.8Y255 Q256 F261Y255-D259 PolarHBondContact O-N 3.14Å; Q256-D259 PolarHBondContact O-N 3.43Å; D259-F261 VanDerWaalsContact C-N 3.28Å; D259-F261 HydrophobicContact CB-CD2 4.46Å; D259-F261 HydrophobicContact CB-CE2 3.85Å; D259-F261 VanDerWaalsContact O-CD2 3.23Å; D259-F261 WeakPolarHBondContact O-CD2 3.35Å; D259-F261 PolarHBondContact O-N 2.89Å; D259-F261 VanDerWaalsContact O-N 3.11Å
260N71.9Confident75.5Confident114 Ų11469.1 Ų69.161%0.6134%0.339SS*.  trans-86.571.2171.1-79.7-16.1000108.9Y255 R258Y255-N260 WeakPolarHBondContact CB-O 3.31Å; Y255-N260 WeakPolarHBondContact CD2-O 3.29Å; Y255-N260 WeakPolarHBondContact O-CA 3.03Å; Y255-N260 PolarHBondContact O-N 3.29Å; R258-N260 PolarHBondContact O-N 2.88Å
261F72.4Confident75.7Confident42 Ų4267.8 Ų67.818%0.18434%0.335CS..  trans-67.3155.6-178.8-63.5-85.5000112.5F238 E240 L249 Q256 D259 M263F238-F261 HydrophobicContact CD1-CB 3.7Å; F238-F261 HydrophobicContact CD1-CG 4.28Å; F238-F261 HydrophobicContact CE1-CB 4.18Å; E240-F261 HydrophobicContact CG-CD1 4.24Å; E240-F261 HydrophobicContact CG-CE1 4.36Å; L249-F261 HydrophobicContact CD1-CE1 4.34Å; L249-F261 HydrophobicContact CD1-CZ 4.42Å; Q256-F261 HydrophobicContact CG-CD1 3.59Å; Q256-F261 HydrophobicContact CG-CE1 3.34Å; Q256-F261 HydrophobicContact CG-CZ 4.3Å; D259-F261 VanDerWaalsContact C-N 3.28Å; D259-F261 HydrophobicContact CB-CD2 4.46Å; D259-F261 HydrophobicContact CB-CE2 3.85Å; D259-F261 VanDerWaalsContact O-CD2 3.23Å; D259-F261 WeakPolarHBondContact O-CD2 3.35Å; D259-F261 PolarHBondContact O-N 2.89Å; D259-F261 VanDerWaalsContact O-N 3.11Å; F261-M263 PolarHBondContact O-N 3.28Å
262M75.2Confident76Confident1 Ų160.2 Ų60.21%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-69115.7164.8-58.8-176.2-40.200107.2I239 Y255 W288I239-M262 HydrophobicContact CB-CB 4.1Å; I239-M262 HydrophobicContact CB-CE 3.54Å; I239-M262 HydrophobicContact CD1-CB 4.16Å; I239-M262 HydrophobicContact CD1-CE 4.06Å; I239-M262 HydrophobicContact CG1-CE 4.44Å; I239-M262 HydrophobicContact CG2-CE 3.27Å; I239-M262 PolarHBondContact N-O 2.83Å; Y255-M262 HydrophobicContact CE2-CG 4.05Å; M262-W288 HydrophobicContact CB-CD2 4.07Å; M262-W288 HydrophobicContact CB-CE3 3.78Å; M262-W288 HydrophobicContact CB-CH2 4.14Å; M262-W288 HydrophobicContact CB-CZ2 4.4Å; M262-W288 HydrophobicContact CB-CZ3 3.82Å; M262-W288 HydrophobicContact CE-CB 4.32Å; M262-W288 HydrophobicContact CE-CG 4.42Å; M262-W288 HydrophobicContact CG-CD2 4.11Å; M262-W288 HydrophobicContact CG-CE3 3.58Å; M262-W288 HydrophobicContact CG-CZ3 3.92Å; M262-W288 HydrophobicContact SD-CB 3.53Å; M262-W288 VanDerWaalsContact SD-CB 3.53Å; M262-W288 HydrophobicContact SD-CD2 3.89Å; M262-W288 HydrophobicContact SD-CE3 3.77Å; M262-W288 HydrophobicContact SD-CG 3.82Å
263M79.7Confident76.4Confident110 Ų11057 Ų5754%0.54229%0.285SS..EExtended strand (participates in β ladder)trans-123.1143.8-173.364.2-170.9-59.900112G237 F238 F261 R286G237-M263 CarbonylContact O-C 3.53Å; G237-M263 WeakPolarHBondContact O-CA 3.18Å; F238-M263 HydrophobicContact CD1-CB 4.15Å; F238-M263 HydrophobicContact CE1-CB 4.13Å; F261-M263 PolarHBondContact O-N 3.28Å; M263-R286 PolarHBondContact O-NH1 3.3Å
264M73Confident76.6Confident9 Ų956.4 Ų56.44%0.04428%0.282CS..  trans-116.2158167.8-60.6-133.5-52.500109.6G237 D266 V268 T282 K283 F284G237-M264 PolarHBondContact O-N 3.07Å; M264-D266 VanDerWaalsContact C-N 3.27Å; M264-D266 WeakPolarHBondContact CB-O 3.23Å; M264-V268 HydrophobicContact CB-CG2 4.47Å; M264-V268 HydrophobicContact CE-CG2 4.06Å; M264-V268 HydrophobicContact CG-CG2 4.27Å; M264-T282 HydrophobicContact SD-CG2 4.2Å; M264-T282 PolarHBondContact SD-OG1 2.98Å; M264-T282 VanDerWaalsContact SD-OG1 3.39Å; M264-K283 HydrophobicContact CE-CB 4.19Å; M264-F284 HydrophobicContact CE-CD2 3.49Å; M264-F284 VanDerWaalsContact CE-CD2 3.49Å; M264-F284 HydrophobicContact CE-CE2 3.95Å; M264-F284 HydrophobicContact SD-CB 4.36Å; M264-F284 HydrophobicContact SD-CD2 3.75Å
265E72.6Confident76.7Confident153 Ų15355.7 Ų55.772%0.71528%0.275SS*.SBendtrans-75.1-20.4177.3-71.1157.1-141.200112.2R286E265-R286 IonicContact OE1-NH2 2.73Å
266D78.4Confident76.4Confident82 Ų8259.7 Ų59.744%0.43930%0.298SS..SBendtrans-129.4166.9179.6-53.2-55.3000111.5G237 M264 F284G237-D266 VanDerWaalsContact CA-O 3.3Å; G237-D266 WeakPolarHBondContact CA-O 3.32Å; M264-D266 VanDerWaalsContact C-N 3.27Å; M264-D266 WeakPolarHBondContact CB-O 3.23Å; D266-F284 HydrophobicContact CB-CE2 4Å; D266-F284 HydrophobicContact CB-CZ 4.35Å; D266-F284 VanDerWaalsContact OD2-CE2 3.3Å; D266-F284 WeakPolarHBondContact OD2-CE2 3.28Å; D266-F284 WeakPolarHBondContact OD2-CZ 3.37Å
267A81.9Confident76.1Confident27 Ų2759.8 Ų59.822%0.22330%0.299CS..  trans-48.6134.3175.100000114.3V235 V269V235-A267 HydrophobicContact CG1-CB 4.26Å; V235-A267 WeakPolarHBondContact O-CA 3.37Å; V235-A267 VanDerWaalsContact O-CB 3.29Å; V235-A267 WeakPolarHBondContact O-CB 3.15Å; V235-A267 PolarHBondContact O-N 2.77Å; A267-V269 PolarHBondContact O-N 3.49Å
268V81.1Confident75.9Confident0 Ų061.6 Ų61.60%030%0.299CS..  trans-88.887.6179.1-168.30000110.1E219 C220 S234 I239 M264 L271 T282E219-V268 VanDerWaalsContact CB-O 3.31Å; E219-V268 WeakPolarHBondContact CB-O 3.39Å; C220-V268 PolarHBondContact SG-O 3.05Å; S234-V268 PolarHBondContact O-N 2.82Å; S234-V268 VanDerWaalsContact O-N 3.15Å; I239-V268 HydrophobicContact CG1-CG1 4.39Å; I239-V268 HydrophobicContact CG1-CG2 3.96Å; M264-V268 HydrophobicContact CB-CG2 4.47Å; M264-V268 HydrophobicContact CE-CG2 4.06Å; M264-V268 HydrophobicContact CG-CG2 4.27Å; V268-L271 HydrophobicContact CG1-CD1 4.43Å; V268-L271 HydrophobicContact CG1-CD2 3.89Å; V268-L271 HydrophobicContact CG1-CG 3.85Å; V268-T282 HydrophobicContact CG1-CG2 4.14Å
269V78.3Confident75.6Confident52 Ų5254 Ų5432%0.31527%0.272SS..  trans-71.6-30.6-178.5-177.40000112.9A267 K283A267-V269 PolarHBondContact O-N 3.49Å; V269-K283 HydrophobicContact CB-CD 4.41Å; V269-K283 HydrophobicContact CG2-CD 4.18Å
270C77.6Confident74.5Confident8 Ų848.3 Ų48.35%0.05424%0.242CC..  trans-143140.1-177.458.80000112.5T308 M310C270-T308 WeakPolarHBondContact CB-O 3.34Å; C270-M310 HydrophobicContact CB-CE 4.26Å; C270-M310 WeakPolarHBondContact O-CE 3.41Å; C270-M310 VanDerWaalsContact SG-CE 3.57Å
271L82.1Confident73.5Confident18 Ų1842.9 Ų42.99%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-128.7141.5175.3-76170.8000109.7C220 I222 V231 I239 V268 R281 T282C220-L271 VanDerWaalsContact SG-CD1 3.54Å; C220-L271 VanDerWaalsContact SG-CG 3.51Å; I222-L271 HydrophobicContact CG2-CB 3.82Å; V231-L271 HydrophobicContact CG1-CD1 3.98Å; I239-L271 HydrophobicContact CD1-CD2 4.4Å; I239-L271 HydrophobicContact CG1-CD2 4.46Å; I239-L271 HydrophobicContact CG2-CD1 4.23Å; I239-L271 HydrophobicContact CG2-CD2 4.21Å; V268-L271 HydrophobicContact CG1-CD1 4.43Å; V268-L271 HydrophobicContact CG1-CD2 3.89Å; V268-L271 HydrophobicContact CG1-CG 3.85Å; L271-R281 WeakPolarHBondContact CA-O 3.44Å; L271-T282 HydrophobicContact CD2-CG2 3.56Å
272A81.1Confident73.3Confident5 Ų540.9 Ų40.94%0.04120%0.204CC..EExtended strand (participates in β ladder)trans-137.7142173.600000110.3A280 R281 M310 F312A272-A280 CarbonylContact O-C 3.59Å; A272-A280 WeakPolarHBondContact O-CA 3.48Å; A272-R281 PolarHBondContact N-O 3.08Å; A272-R281 PolarHBondContact O-N 3.38Å; A272-M310 HydrophobicContact CB-CB 3.99Å; A272-M310 WeakPolarHBondContact CB-O 3.41Å; A272-F312 HydrophobicContact CB-CD2 4.18Å; A272-F312 HydrophobicContact CB-CE2 4.17Å
273F81.7Confident72.4Confident18 Ų1842.1 Ų42.18%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-102.1143.8176.7-91.5-87.7000111.7I222 S224 P225 V231 L279 I290 F312I222-F273 HydrophobicContact CD1-CD2 4.39Å; I222-F273 HydrophobicContact CG1-CD2 4.16Å; I222-F273 HydrophobicContact CG2-CD2 3.72Å; I222-F273 HydrophobicContact CG2-CE2 3.77Å; S224-F273 VanDerWaalsContact CB-CE1 3.5Å; P225-F273 HydrophobicContact CG-CB 4.06Å; V231-F273 HydrophobicContact CB-CE2 3.86Å; V231-F273 HydrophobicContact CB-CZ 3.99Å; V231-F273 HydrophobicContact CG2-CE1 4.48Å; V231-F273 HydrophobicContact CG2-CE2 3.76Å; V231-F273 HydrophobicContact CG2-CZ 3.34Å; F273-L279 WeakPolarHBondContact CA-O 3.23Å; F273-I290 HydrophobicContact CD1-CD1 3.66Å; F273-I290 HydrophobicContact CE1-CD1 3.1Å; F273-I290 HydrophobicContact CE1-CG1 4.37Å; F273-I290 HydrophobicContact CZ-CD1 3.95Å; F273-F312 VanDerWaalsContact C-CD2 3.41Å; F273-F312 WeakPolarHBondContact O-CD2 3.33Å
274S79.8Confident71.4Confident1 Ų140.4 Ų40.41%0.00720%0.199CC..  trans-68.615116161.50000110D276 S277 L279S274-D276 PolarHBondContact O-N 3.49Å; S274-D276 VanDerWaalsContact O-N 3.13Å; S274-S277 WeakPolarHBondContact O-CA 3.34Å; S274-S277 PolarHBondContact O-N 2.83Å; S274-L279 PolarHBondContact N-O 2.89Å; S274-L279 PolarHBondContact OG-N 3.13Å; S274-L279 VanDerWaalsContact OG-N 3.08Å; S274-L279 PolarHBondContact OG-O 2.84Å
275R72.9Confident70.9Confident145 Ų14540.1 Ų40.155%0.54720%0.198SC..THydrogen-bonded Turntrans-56.4-32.2177.2-72.2-167.5169.7-157.4-11.3113.6S277 K314 N316R275-S277 PolarHBondContact O-N 3.26Å; R275-S277 VanDerWaalsContact O-N 3.16Å; R275-K314 WeakPolarHBondContact CD-O 3.37Å; R275-N316 PolarHBondContact N-OD1 2.79Å
276D72.7Confident70.8Confident105 Ų10534.3 Ų34.356%0.56117%0.169SC*.THydrogen-bonded Turntrans-784.5179.8-53.7-28.3000112.7S274 E278 N316S274-D276 PolarHBondContact O-N 3.49Å; S274-D276 VanDerWaalsContact O-N 3.13Å; D276-E278 PolarHBondContact O-N 2.9Å; D276-N316 VanDerWaalsContact CG-ND2 3.26Å; D276-N316 PolarHBondContact OD2-ND2 3.29Å
277S70.2Confident70.6Confident9 Ų930.6 Ų30.66%0.06315%0.149CC..SBendtrans59.31.1-178.6610000116.1K191 D226 S274 R275 I290K191-S277 PolarHBondContact NZ-OG 2.9Å; D226-S277 VanDerWaalsContact CG-OG 3.32Å; D226-S277 WeakPolarHBondContact OD1-CB 3.46Å; D226-S277 PolarHBondContact OD2-OG 3.42Å; D226-S277 VanDerWaalsContact OD2-OG 3.08Å; S274-S277 WeakPolarHBondContact O-CA 3.34Å; S274-S277 PolarHBondContact O-N 2.83Å; R275-S277 PolarHBondContact O-N 3.26Å; R275-S277 VanDerWaalsContact O-N 3.16Å; S277-I290 WeakPolarHBondContact O-CD1 3.22Å
278E68Low70.5Confident88 Ų8830 Ų3041%0.41114%0.142SC..SBendtrans-80-30.7-177.8-64.6-161176.200114.1D276 K289 I290D276-E278 PolarHBondContact O-N 2.9Å; E278-K289 WeakPolarHBondContact O-CA 3.41Å; E278-K289 IonicContact OE2-NZ 3.68Å; E278-I290 PolarHBondContact O-N 2.53Å
279L64.1Low70.3Confident27 Ų2733.3 Ų33.314%0.14116%0.156CC..EExtended strand (participates in β ladder)trans-115.4132.9-171.9-54.9178.5000111.4F273 S274 I287 W288 K289 I296 F312 L333F273-L279 WeakPolarHBondContact CA-O 3.23Å; S274-L279 PolarHBondContact N-O 2.89Å; S274-L279 PolarHBondContact OG-N 3.13Å; S274-L279 VanDerWaalsContact OG-N 3.08Å; S274-L279 PolarHBondContact OG-O 2.84Å; L279-I287 HydrophobicContact CB-CG2 4.11Å; L279-I287 HydrophobicContact CD1-CG2 4.27Å; L279-I287 HydrophobicContact CD2-CG2 4.11Å; L279-I287 HydrophobicContact CG-CG2 4.41Å; L279-W288 CarbonylContact C-O 3.54Å; L279-W288 VanDerWaalsContact CA-O 3.29Å; L279-W288 WeakPolarHBondContact CA-O 3.4Å; L279-K289 HydrophobicContact CD2-CB 4.37Å; L279-K289 HydrophobicContact CD2-CG 4.4Å; L279-I296 HydrophobicContact CD2-CD1 3.3Å; L279-F312 HydrophobicContact CB-CZ 4.44Å; L279-L333 HydrophobicContact CD1-CD2 4.18Å
280A49.6Very low70.1Confident1 Ų131 Ų311%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-115.4138.5168.800000110.1A272 I287 W288 I290A272-A280 CarbonylContact O-C 3.59Å; A272-A280 WeakPolarHBondContact O-CA 3.48Å; A280-I287 CarbonylContact O-C 3.58Å; A280-I287 WeakPolarHBondContact O-CA 3.13Å; A280-W288 PolarHBondContact N-O 2.83Å; A280-W288 PolarHBondContact O-N 3.08Å; A280-I290 HydrophobicContact CB-CD1 3.96Å; A280-I290 HydrophobicContact CB-CG1 3.92Å
281R50Low69.9Low0 Ų035.6 Ų35.60%016%0.164CC..EExtended strand (participates in β ladder)trans-119.8147.6176.7-168.2166.5177.8164.9-18.4111.8L271 A272 F285 R286 I287 F299 M310 F312L271-R281 WeakPolarHBondContact CA-O 3.44Å; A272-R281 PolarHBondContact N-O 3.08Å; A272-R281 PolarHBondContact O-N 3.38Å; R281-F285 VanDerWaalsContact NH2-CB 3.32Å; R281-F285 VanDerWaalsContact NH2-CE1 3.29Å; R281-F285 VanDerWaalsContact NH2-CG 3.29Å; R281-R286 WeakPolarHBondContact CA-O 3.3Å; R281-I287 HydrophobicContact CB-CG1 4.31Å; R281-I287 HydrophobicContact CG-CG1 3.97Å; R281-F299 VanDerWaalsContact CZ-CD2 3.49Å; R281-F299 VanDerWaalsContact NH1-CE2 3.29Å; R281-M310 HydrophobicContact CB-CE 4.5Å; R281-M310 HydrophobicContact CG-CE 4.42Å; R281-M310 HydrophobicContact CG-SD 3.99Å; R281-M310 VanDerWaalsContact O-CE 3.22Å; R281-M310 WeakPolarHBondContact O-CE 3.35Å; R281-F312 HydrophobicContact CB-CE2 4Å; R281-F312 HydrophobicContact CB-CZ 4.03Å
282T68.3Low69.5Low0 Ų037 Ų370%017%0.174CC..EExtended strand (participates in β ladder)trans-124.5167.6-173.954.10000112.3I239 M264 V268 L271 F284 F285 R286I239-T282 HydrophobicContact CD1-CG2 3.26Å; I239-T282 HydrophobicContact CG1-CG2 4.29Å; M264-T282 HydrophobicContact SD-CG2 4.2Å; M264-T282 PolarHBondContact SD-OG1 2.98Å; M264-T282 VanDerWaalsContact SD-OG1 3.39Å; V268-T282 HydrophobicContact CG1-CG2 4.14Å; L271-T282 HydrophobicContact CD2-CG2 3.56Å; T282-F284 VanDerWaalsContact C-N 3.29Å; T282-F284 PolarHBondContact O-N 3.22Å; T282-F284 VanDerWaalsContact O-N 3.13Å; T282-F285 WeakPolarHBondContact O-CA 3.31Å; T282-F285 PolarHBondContact O-N 3.08Å; T282-R286 PolarHBondContact N-O 3.5Å; T282-R286 VanDerWaalsContact N-O 3.09Å; T282-R286 WeakPolarHBondContact OG1-CB 3.29Å; T282-R286 PolarHBondContact OG1-O 3.32Å; T282-R286 VanDerWaalsContact OG1-O 3.1Å
283K57.6Low69.1Low26 Ų2637.3 Ų37.311%0.11318%0.179CC..THydrogen-bonded Turntrans-44.5-39-179179.7-173.6178.6-177.10116M264 V269 F285 C306 V307M264-K283 HydrophobicContact CE-CB 4.19Å; V269-K283 HydrophobicContact CB-CD 4.41Å; V269-K283 HydrophobicContact CG2-CD 4.18Å; K283-F285 PolarHBondContact O-N 3.15Å; K283-C306 WeakPolarHBondContact CE-SG 3.39Å; K283-C306 PolarHBondContact NZ-SG 3.2Å; K283-V307 HydrophobicContact CG-CB 4.19Å; K283-V307 VanDerWaalsContact O-CG2 3.31Å; K283-V307 WeakPolarHBondContact O-CG2 3.36Å
284F58.5Low68.8Low74 Ų7442.9 Ų42.933%0.32521%0.205SC..THydrogen-bonded Turntrans-8417.3175.1-69.7-65.5000113.8M264 D266 T282 R286M264-F284 HydrophobicContact CE-CD2 3.49Å; M264-F284 VanDerWaalsContact CE-CD2 3.49Å; M264-F284 HydrophobicContact CE-CE2 3.95Å; M264-F284 HydrophobicContact SD-CB 4.36Å; M264-F284 HydrophobicContact SD-CD2 3.75Å; D266-F284 HydrophobicContact CB-CE2 4Å; D266-F284 HydrophobicContact CB-CZ 4.35Å; D266-F284 VanDerWaalsContact OD2-CE2 3.3Å; D266-F284 WeakPolarHBondContact OD2-CE2 3.28Å; D266-F284 WeakPolarHBondContact OD2-CZ 3.37Å; T282-F284 VanDerWaalsContact C-N 3.29Å; T282-F284 PolarHBondContact O-N 3.22Å; T282-F284 VanDerWaalsContact O-N 3.13Å; F284-R286 PolarHBondContact O-N 3.11Å; F284-R286 VanDerWaalsContact O-N 3.12Å
285F62.6Low68.7Low3 Ų345.2 Ų45.21%0.01322%0.221CC..  trans50.638-175.3-62.6-75.3000112R281 T282 K283 F299 A302 H303 V307 M310 S321 H331R281-F285 VanDerWaalsContact NH2-CB 3.32Å; R281-F285 VanDerWaalsContact NH2-CE1 3.29Å; R281-F285 VanDerWaalsContact NH2-CG 3.29Å; T282-F285 WeakPolarHBondContact O-CA 3.31Å; T282-F285 PolarHBondContact O-N 3.08Å; K283-F285 PolarHBondContact O-N 3.15Å; F285-F299 HydrophobicContact CB-CB 3.73Å; F285-F299 HydrophobicContact CB-CD2 3.96Å; F285-F299 HydrophobicContact CB-CG 4.35Å; F285-F299 VanDerWaalsContact O-CD2 3.29Å; F285-F299 WeakPolarHBondContact O-CD2 3.15Å; F285-F299 PolarHBondContact O-N 3.27Å; F285-F299 VanDerWaalsContact O-N 3.16Å; F285-A302 HydrophobicContact CD2-CB 3.36Å; F285-A302 HydrophobicContact CE1-CB 4.5Å; F285-A302 HydrophobicContact CE2-CB 3.07Å; F285-A302 HydrophobicContact CG-CB 4.2Å; F285-A302 HydrophobicContact CZ-CB 3.62Å; F285-H303 AromaticContact CE2-CD2 3.62Å; F285-H303 AromaticContact CZ-CD2 3.47Å; F285-H303 VanDerWaalsContact CZ-CD2 3.47Å; F285-H303 WeakPolarHBondContact CZ-CD2 3.18Å; F285-H303 AromaticContact CZ-NE2 3.98Å; F285-V307 HydrophobicContact CD2-CG2 4.25Å; F285-V307 HydrophobicContact CE2-CG2 3.67Å; F285-V307 HydrophobicContact CZ-CG2 4.12Å; F285-M310 HydrophobicContact CD1-SD 4.13Å; F285-S321 WeakPolarHBondContact CE1-OG 3.47Å; F285-S321 WeakPolarHBondContact CZ-OG 3.16Å; F285-H331 AromaticContact CE1-ND1 3.97Å; F285-H331 AromaticContact CZ-CE1 3.67Å; F285-H331 AromaticContact CZ-ND1 3.99Å
286R69.2Low68.9Low31 Ų3142.6 Ų42.612%0.11722%0.216CC..EExtended strand (participates in β ladder)trans-80.6124.8165.2-69.6-175.5-175.9-174.94.3107.8M263 E265 R281 T282 F284 W288 R297 R298M263-R286 PolarHBondContact O-NH1 3.3Å; E265-R286 IonicContact OE1-NH2 2.73Å; R281-R286 WeakPolarHBondContact CA-O 3.3Å; T282-R286 PolarHBondContact N-O 3.5Å; T282-R286 VanDerWaalsContact N-O 3.09Å; T282-R286 WeakPolarHBondContact OG1-CB 3.29Å; T282-R286 PolarHBondContact OG1-O 3.32Å; T282-R286 VanDerWaalsContact OG1-O 3.1Å; F284-R286 PolarHBondContact O-N 3.11Å; F284-R286 VanDerWaalsContact O-N 3.12Å; R286-W288 HydrophobicContact CB-CZ2 4.36Å; R286-R297 CarbonylContact C-O 3.31Å; R286-R297 VanDerWaalsContact CA-O 3.23Å; R286-R297 WeakPolarHBondContact CA-O 3.47Å; R286-R298 HydrophobicContact CG-CB 4.18Å; R286-R298 HydrophobicContact CG-CG 3.94Å
287I75.5Confident68.8Low4 Ų442.2 Ų42.22%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-99.1124.9172.7-63.4161.1000107.3L279 A280 R281 C295 I296 R297 F299 I319 L333L279-I287 HydrophobicContact CB-CG2 4.11Å; L279-I287 HydrophobicContact CD1-CG2 4.27Å; L279-I287 HydrophobicContact CD2-CG2 4.11Å; L279-I287 HydrophobicContact CG-CG2 4.41Å; A280-I287 CarbonylContact O-C 3.58Å; A280-I287 WeakPolarHBondContact O-CA 3.13Å; R281-I287 HydrophobicContact CB-CG1 4.31Å; R281-I287 HydrophobicContact CG-CG1 3.97Å; I287-C295 CarbonylContact O-C 3.57Å; I287-C295 WeakPolarHBondContact O-CA 3.32Å; I287-I296 HydrophobicContact CG2-CD1 4.41Å; I287-I296 PolarHBondContact O-N 2.9Å; I287-R297 HydrophobicContact CB-CB 4.5Å; I287-R297 HydrophobicContact CD1-CB 4.26Å; I287-R297 PolarHBondContact N-O 2.98Å; I287-R297 PolarHBondContact O-N 3.13Å; I287-F299 HydrophobicContact CD1-CD2 4.45Å; I287-F299 HydrophobicContact CD1-CE2 3.48Å; I287-F299 VanDerWaalsContact CD1-CE2 3.48Å; I287-F299 HydrophobicContact CD1-CZ 4.09Å; I287-F299 HydrophobicContact CG1-CE2 4.34Å; I287-I319 HydrophobicContact CD1-CD1 4.34Å; I287-L333 HydrophobicContact CD1-CD1 3.33Å; I287-L333 HydrophobicContact CD1-CG 4.31Å; I287-L333 HydrophobicContact CG1-CD1 4.42Å
288W78.4Confident68.9Low16 Ų1648.6 Ų48.66%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-110.8138.5-179.3-5990.1000109.2M262 L279 A280 R286 G293 Q294 C295M262-W288 HydrophobicContact CB-CD2 4.07Å; M262-W288 HydrophobicContact CB-CE3 3.78Å; M262-W288 HydrophobicContact CB-CH2 4.14Å; M262-W288 HydrophobicContact CB-CZ2 4.4Å; M262-W288 HydrophobicContact CB-CZ3 3.82Å; M262-W288 HydrophobicContact CE-CB 4.32Å; M262-W288 HydrophobicContact CE-CG 4.42Å; M262-W288 HydrophobicContact CG-CD2 4.11Å; M262-W288 HydrophobicContact CG-CE3 3.58Å; M262-W288 HydrophobicContact CG-CZ3 3.92Å; M262-W288 HydrophobicContact SD-CB 3.53Å; M262-W288 VanDerWaalsContact SD-CB 3.53Å; M262-W288 HydrophobicContact SD-CD2 3.89Å; M262-W288 HydrophobicContact SD-CE3 3.77Å; M262-W288 HydrophobicContact SD-CG 3.82Å; L279-W288 CarbonylContact C-O 3.54Å; L279-W288 VanDerWaalsContact CA-O 3.29Å; L279-W288 WeakPolarHBondContact CA-O 3.4Å; A280-W288 PolarHBondContact N-O 2.83Å; A280-W288 PolarHBondContact O-N 3.08Å; R286-W288 HydrophobicContact CB-CZ2 4.36Å; W288-G293 VanDerWaalsContact CE3-O 3.29Å; W288-G293 WeakPolarHBondContact CZ3-O 3.25Å; W288-Q294 WeakPolarHBondContact CA-O 3.39Å; W288-C295 HydrophobicContact CD2-CB 3.99Å; W288-C295 HydrophobicContact CE3-CB 3.67Å; W288-C295 VanDerWaalsContact CE3-N 3.32Å; W288-C295 HydrophobicContact CH2-CB 3.88Å; W288-C295 HydrophobicContact CZ2-CB 4.17Å; W288-C295 HydrophobicContact CZ3-CB 3.62Å
289K77.9Confident69Low69 Ų6945.6 Ų45.630%0.322%0.215SC..EExtended strand (participates in β ladder)trans-86.8117.7164.9-164.8167.5-176.3168.30108.1E278 L279 M291 S292 G293 Q294 I296E278-K289 WeakPolarHBondContact O-CA 3.41Å; E278-K289 IonicContact OE2-NZ 3.68Å; L279-K289 HydrophobicContact CD2-CB 4.37Å; L279-K289 HydrophobicContact CD2-CG 4.4Å; K289-M291 VanDerWaalsContact C-N 3.33Å; K289-M291 PolarHBondContact O-N 3.41Å; K289-S292 WeakPolarHBondContact CB-OG 3.5Å; K289-S292 PolarHBondContact O-N 3.03Å; K289-G293 WeakPolarHBondContact O-CA 3.3Å; K289-G293 PolarHBondContact O-N 3.07Å; K289-Q294 PolarHBondContact N-O 3.38Å; K289-I296 HydrophobicContact CB-CD1 3.86Å; K289-I296 HydrophobicContact CB-CG1 4.01Å
290I75.2Confident69Low3 Ų348.1 Ų48.12%0.01524%0.24CC..THydrogen-bonded Turntrans-65.2-37.6-172.7-67.8148.9000111.7V241 L253 Y255 F273 S277 E278 A280 S292V241-I290 HydrophobicContact CG2-CG2 4.29Å; L253-I290 HydrophobicContact CD1-CG2 4.46Å; Y255-I290 WeakPolarHBondContact CE1-O 3.35Å; Y255-I290 PolarHBondContact OH-O 2.8Å; F273-I290 HydrophobicContact CD1-CD1 3.66Å; F273-I290 HydrophobicContact CE1-CD1 3.1Å; F273-I290 HydrophobicContact CE1-CG1 4.37Å; F273-I290 HydrophobicContact CZ-CD1 3.95Å; S277-I290 WeakPolarHBondContact O-CD1 3.22Å; E278-I290 PolarHBondContact O-N 2.53Å; A280-I290 HydrophobicContact CB-CD1 3.96Å; A280-I290 HydrophobicContact CB-CG1 3.92Å; I290-S292 VanDerWaalsContact C-N 3.34Å; I290-S292 PolarHBondContact O-N 3.08Å
291M72.6Confident69.8Low105 Ų10559.4 Ų59.452%0.51728%0.283SS..THydrogen-bonded Turntrans-65.7-35.1180-67.8-166.9-6800113.5K289K289-M291 VanDerWaalsContact C-N 3.33Å; K289-M291 PolarHBondContact O-N 3.41Å
292S73Confident70.9Confident46 Ų4660 Ų6032%0.32229%0.288SS..THydrogen-bonded Turntrans-99.7-16.3-177.867.70000113.6Y255 K289 I290 Q294Y255-S292 VanDerWaalsContact CD1-C 3.45Å; Y255-S292 WeakPolarHBondContact CD1-O 3.46Å; K289-S292 WeakPolarHBondContact CB-OG 3.5Å; K289-S292 PolarHBondContact O-N 3.03Å; I290-S292 VanDerWaalsContact C-N 3.34Å; I290-S292 PolarHBondContact O-N 3.08Å; S292-Q294 PolarHBondContact O-N 3.27Å; S292-Q294 WeakPolarHBondContact OG-CB 3.34Å; S292-Q294 PolarHBondContact OG-N 2.91Å
293G73.4Confident71.6Confident13 Ų1360.9 Ų60.913%0.13429%0.292CS..THydrogen-bonded Turntrans66.68.5-17100000113.3Y255 W288 K289Y255-G293 VanDerWaalsContact CD1-CA 3.5Å; W288-G293 VanDerWaalsContact CE3-O 3.29Å; W288-G293 WeakPolarHBondContact CZ3-O 3.25Å; K289-G293 WeakPolarHBondContact O-CA 3.3Å; K289-G293 PolarHBondContact O-N 3.07Å
294Q75.5Confident72.9Confident135 Ų13565.5 Ų65.563%0.63132%0.322SS*.EExtended strand (participates in β ladder)trans-86.1135.6-177.4-67.7-178-15.400111W288 K289 S292 I296W288-Q294 WeakPolarHBondContact CA-O 3.39Å; K289-Q294 PolarHBondContact N-O 3.38Å; S292-Q294 PolarHBondContact O-N 3.27Å; S292-Q294 WeakPolarHBondContact OG-CB 3.34Å; S292-Q294 PolarHBondContact OG-N 2.91Å; Q294-I296 PolarHBondContact O-N 3.16Å
295C77.2Confident74.2Confident49 Ų4967.3 Ų67.333%0.33133%0.33SS..EExtended strand (participates in β ladder)trans-72.7104.8167.81790000108.8I287 W288 R297I287-C295 CarbonylContact O-C 3.57Å; I287-C295 WeakPolarHBondContact O-CA 3.32Å; W288-C295 HydrophobicContact CD2-CB 3.99Å; W288-C295 HydrophobicContact CE3-CB 3.67Å; W288-C295 VanDerWaalsContact CE3-N 3.32Å; W288-C295 HydrophobicContact CH2-CB 3.88Å; W288-C295 HydrophobicContact CZ2-CB 4.17Å; W288-C295 HydrophobicContact CZ3-CB 3.62Å; C295-R297 PolarHBondContact SG-O 3.27Å; C295-R297 VanDerWaalsContact SG-O 3.33Å
296I76.4Confident75.1Confident90 Ų9069.7 Ų69.746%0.46235%0.346SS..EExtended strand (participates in β ladder)trans-68.6-42.5178.3-47.9-178.2000110.4L279 I287 K289 Q294L279-I296 HydrophobicContact CD2-CD1 3.3Å; I287-I296 HydrophobicContact CG2-CD1 4.41Å; I287-I296 PolarHBondContact O-N 2.9Å; K289-I296 HydrophobicContact CB-CD1 3.86Å; K289-I296 HydrophobicContact CB-CG1 4.01Å; Q294-I296 PolarHBondContact O-N 3.16Å
297R70.6Confident75.9Confident98 Ų9868.4 Ų68.437%0.3734%0.342SS..EExtended strand (participates in β ladder)trans-145.4145.1-173.9-66.7-169.6178.1-118.72.3111.5R286 I287 C295 F299 R334R286-R297 CarbonylContact C-O 3.31Å; R286-R297 VanDerWaalsContact CA-O 3.23Å; R286-R297 WeakPolarHBondContact CA-O 3.47Å; I287-R297 HydrophobicContact CB-CB 4.5Å; I287-R297 HydrophobicContact CD1-CB 4.26Å; I287-R297 PolarHBondContact N-O 2.98Å; I287-R297 PolarHBondContact O-N 3.13Å; C295-R297 PolarHBondContact SG-O 3.27Å; C295-R297 VanDerWaalsContact SG-O 3.33Å; R297-F299 HydrophobicContact CB-CE1 4.28Å; R297-F299 HydrophobicContact CB-CE2 4.29Å; R297-F299 HydrophobicContact CB-CZ 3.96Å; R297-F299 HydrophobicContact CG-CZ 4.42Å; R297-R334 PolarHBondContact NH1-O 2.62Å; R297-R334 PolarHBondContact NH2-O 2.96Å
298R73.1Confident76.4Confident143 Ų14369.2 Ų69.254%0.5435%0.347SS..EExtended strand (participates in β ladder)trans-123.5115.8171.1-177.1177.1-177.11783.6108.1R286 A300R286-R298 HydrophobicContact CG-CB 4.18Å; R286-R298 HydrophobicContact CG-CG 3.94Å; R298-A300 PolarHBondContact O-N 2.9Å
299F69.8Low76.8Confident24 Ų2469.6 Ų69.611%0.10535%0.352CS..  trans-94.991.7171.8-53.9-62000109.5R281 F285 I287 R297 G336R281-F299 VanDerWaalsContact CZ-CD2 3.49Å; R281-F299 VanDerWaalsContact NH1-CE2 3.29Å; F285-F299 HydrophobicContact CB-CB 3.73Å; F285-F299 HydrophobicContact CB-CD2 3.96Å; F285-F299 HydrophobicContact CB-CG 4.35Å; F285-F299 VanDerWaalsContact O-CD2 3.29Å; F285-F299 WeakPolarHBondContact O-CD2 3.15Å; F285-F299 PolarHBondContact O-N 3.27Å; F285-F299 VanDerWaalsContact O-N 3.16Å; I287-F299 HydrophobicContact CD1-CD2 4.45Å; I287-F299 HydrophobicContact CD1-CE2 3.48Å; I287-F299 VanDerWaalsContact CD1-CE2 3.48Å; I287-F299 HydrophobicContact CD1-CZ 4.09Å; I287-F299 HydrophobicContact CG1-CE2 4.34Å; R297-F299 HydrophobicContact CB-CE1 4.28Å; R297-F299 HydrophobicContact CB-CE2 4.29Å; R297-F299 HydrophobicContact CB-CZ 3.96Å; R297-F299 HydrophobicContact CG-CZ 4.42Å; F299-G336 VanDerWaalsContact CZ-CA 3.42Å
300A63.7Low77.2Confident80 Ų8067.1 Ų67.166%0.66134%0.342SS*.THydrogen-bonded Turntrans-66.5135.7176.600000110.7R298 A302R298-A300 PolarHBondContact O-N 2.9Å; A300-A302 PolarHBondContact O-N 2.59Å
301R67.4Low77.8Confident238 Ų23869.9 Ų69.990%0.89836%0.355SS*.THydrogen-bonded Turntrans62.629.5172.3-57.4-179.3176.3160.8-1.4116.7H303R301-H303 PolarHBondContact O-N 3.01Å
302A73.1Confident78.5Confident13 Ų1365.5 Ų65.511%0.10733%0.333CS..SBendtrans-70.4-15.9176.300000114F285 A300 R329 H331F285-A302 HydrophobicContact CD2-CB 3.36Å; F285-A302 HydrophobicContact CE1-CB 4.5Å; F285-A302 HydrophobicContact CE2-CB 3.07Å; F285-A302 HydrophobicContact CG-CB 4.2Å; F285-A302 HydrophobicContact CZ-CB 3.62Å; A300-A302 PolarHBondContact O-N 2.59Å; A302-R329 VanDerWaalsContact O-CD 3.29Å; A302-R329 WeakPolarHBondContact O-CD 3.15Å; A302-R329 PolarHBondContact O-NH1 2.62Å; A302-H331 VanDerWaalsContact CB-NE2 3.32Å; A302-H331 WeakPolarHBondContact CB-NE2 3.36Å
303H83.2Confident79.2Confident18 Ų1863.6 Ų63.68%0.08332%0.319CS..  trans-136.9155.5162.8-77.4-80.6000110.5F285 R301 V307 S321 S323 D325 R329F285-H303 AromaticContact CE2-CD2 3.62Å; F285-H303 AromaticContact CZ-CD2 3.47Å; F285-H303 VanDerWaalsContact CZ-CD2 3.47Å; F285-H303 WeakPolarHBondContact CZ-CD2 3.18Å; F285-H303 AromaticContact CZ-NE2 3.98Å; R301-H303 PolarHBondContact O-N 3.01Å; H303-V307 HydrophobicContact CB-CG2 4.19Å; H303-S321 PolarHBondContact NE2-OG 2.98Å; H303-S323 VanDerWaalsContact CG-CB 3.45Å; H303-S323 WeakPolarHBondContact ND1-CB 3.26Å; H303-D325 IonicContact CE1-OD1 3.79Å; H303-D325 IonicContact CG-OD1 3.72Å; H303-D325 IonicContact CG-OD2 3.76Å; H303-D325 VanDerWaalsContact ND1-CG 3.29Å; H303-D325 IonicContact ND1-OD1 3.71Å; H303-D325 PolarHBondContact ND1-OD1 3.39Å; H303-D325 IonicContact ND1-OD2 2.63Å; H303-D325 PolarHBondContact ND1-OD2 2.99Å; H303-R329 VanDerWaalsContact CE1-CD 3.45Å; H303-R329 WeakPolarHBondContact CE1-CD 3.28Å
304T84.4Confident79.7Confident123 Ų12366 Ų6676%0.75533%0.326SS*.SBendtrans-84.3-21.4177.551.90000112.8D325T304-D325 PolarHBondContact N-OD2 2.86Å; T304-D325 VanDerWaalsContact OG1-CB 3.28Å; T304-D325 WeakPolarHBondContact OG1-CB 3.14Å
305K85.4Confident80Confident112 Ų11265.4 Ų65.449%0.48733%0.327SS..SBendtrans-121.3-176.7174.9-65.6-175.8176-179.40110.4Y324 D325K305-Y324 VanDerWaalsContact CD-O 3.26Å; K305-Y324 WeakPolarHBondContact CD-O 3.45Å; K305-D325 HydrophobicContact CB-CB 4.07Å; K305-D325 HydrophobicContact CD-CB 4.41Å; K305-D325 HydrophobicContact CG-CB 4.19Å
306C81.8Confident80.3Confident53 Ų5363.9 Ų63.936%0.35832%0.316SS..  trans-60.8133.5-179.3-66.70000112.2K283 S323 Y324K283-C306 WeakPolarHBondContact CE-SG 3.39Å; K283-C306 PolarHBondContact NZ-SG 3.2Å; C306-S323 VanDerWaalsContact O-CA 3.25Å; C306-S323 WeakPolarHBondContact O-CA 3.4Å; C306-S323 VanDerWaalsContact O-CB 3.3Å; C306-S323 WeakPolarHBondContact O-CB 3.47Å; C306-S323 PolarHBondContact O-OG 3.33Å; C306-Y324 HydrophobicContact CB-CD2 3.81Å; C306-Y324 HydrophobicContact CB-CE2 4.23Å; C306-Y324 PolarHBondContact O-N 2.82Å
307V86.2Confident80.7Confident5 Ų563 Ų633%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-77.1127.9170.2-177.80000108.8K283 F285 H303 M310 S322K283-V307 HydrophobicContact CG-CB 4.19Å; K283-V307 VanDerWaalsContact O-CG2 3.31Å; K283-V307 WeakPolarHBondContact O-CG2 3.36Å; F285-V307 HydrophobicContact CD2-CG2 4.25Å; F285-V307 HydrophobicContact CE2-CG2 3.67Å; F285-V307 HydrophobicContact CZ-CG2 4.12Å; H303-V307 HydrophobicContact CB-CG2 4.19Å; V307-M310 HydrophobicContact CG1-CG 3.64Å; V307-M310 HydrophobicContact CG1-SD 4.17Å; V307-S322 CarbonylContact C-O 3.55Å; V307-S322 WeakPolarHBondContact CA-O 3.16Å; V307-S322 WeakPolarHBondContact CG1-O 3.35Å
308T85.5Confident81.6Confident21 Ų2161.5 Ų61.513%0.12931%0.312CS..EExtended strand (participates in β ladder)trans-97.8-43.6-174.146.90000112.4C270 S322 Y324 V349 N350C270-T308 WeakPolarHBondContact CB-O 3.34Å; T308-S322 PolarHBondContact N-O 3.28Å; T308-S322 VanDerWaalsContact OG1-C 3.25Å; T308-S322 PolarHBondContact OG1-O 3.02Å; T308-S322 VanDerWaalsContact OG1-O 3.11Å; T308-S322 PolarHBondContact OG1-OG 3.26Å; T308-Y324 HydrophobicContact CG2-CD1 3.22Å; T308-Y324 HydrophobicContact CG2-CD2 4.49Å; T308-Y324 HydrophobicContact CG2-CE1 3.05Å; T308-Y324 HydrophobicContact CG2-CE2 4.31Å; T308-Y324 HydrophobicContact CG2-CG 4Å; T308-V349 WeakPolarHBondContact CB-O 3.33Å; T308-V349 WeakPolarHBondContact CG2-O 3.5Å; T308-V349 PolarHBondContact OG1-O 2.84Å; T308-N350 VanDerWaalsContact CB-O 3.27Å; T308-N350 WeakPolarHBondContact CB-O 3.41Å; T308-N350 PolarHBondContact OG1-O 3.04Å; T308-N350 VanDerWaalsContact OG1-O 3.14Å
309S86.6Confident82.3Confident23 Ų2354.7 Ų54.716%0.16129%0.286CS..EExtended strand (participates in β ladder)trans-139.4155.2176.781.80000111.2S321 S322 C351 A352S309-S321 WeakPolarHBondContact O-CA 3.29Å; S309-S322 WeakPolarHBondContact CB-OG 2.98Å; S309-S322 PolarHBondContact N-OG 2.83Å; S309-S322 VanDerWaalsContact N-OG 3.14Å; S309-S322 PolarHBondContact O-N 3.01Å; S309-S322 PolarHBondContact OG-OG 3.45Å; S309-C351 WeakPolarHBondContact OG-CA 3.23Å; S309-A352 PolarHBondContact OG-N 2.88Å
310M87.4Confident83.3Confident18 Ų1853.6 Ų53.69%0.08928%0.281CS..EExtended strand (participates in β ladder)trans-142.2145.5176.3-61.8178.1-60.200109.9C270 A272 R281 F285 V307 L320C270-M310 HydrophobicContact CB-CE 4.26Å; C270-M310 WeakPolarHBondContact O-CE 3.41Å; C270-M310 VanDerWaalsContact SG-CE 3.57Å; A272-M310 HydrophobicContact CB-CB 3.99Å; A272-M310 WeakPolarHBondContact CB-O 3.41Å; R281-M310 HydrophobicContact CB-CE 4.5Å; R281-M310 HydrophobicContact CG-CE 4.42Å; R281-M310 HydrophobicContact CG-SD 3.99Å; R281-M310 VanDerWaalsContact O-CE 3.22Å; R281-M310 WeakPolarHBondContact O-CE 3.35Å; F285-M310 HydrophobicContact CD1-SD 4.13Å; V307-M310 HydrophobicContact CG1-CG 3.64Å; V307-M310 HydrophobicContact CG1-SD 4.17Å; M310-L320 VanDerWaalsContact CA-O 3.27Å; M310-L320 WeakPolarHBondContact CA-O 3.46Å
311Q87.9Confident84.6Confident61 Ų6149.8 Ų49.829%0.28525%0.25SC..EExtended strand (participates in β ladder)trans-145141.5174.5-156.4-173.814.600110.8I319 L320Q311-I319 WeakPolarHBondContact O-CA 3.36Å; Q311-L320 PolarHBondContact N-O 2.82Å; Q311-L320 PolarHBondContact O-N 3.2Å
312F86.4Confident85.7Confident13 Ų1338.4 Ų38.46%0.05721%0.207CC..EExtended strand (participates in β ladder)trans-81.5146.1166.5-72-102.4000109.9A272 F273 L279 R281 I319 L333A272-F312 HydrophobicContact CB-CD2 4.18Å; A272-F312 HydrophobicContact CB-CE2 4.17Å; F273-F312 VanDerWaalsContact C-CD2 3.41Å; F273-F312 WeakPolarHBondContact O-CD2 3.33Å; L279-F312 HydrophobicContact CB-CZ 4.44Å; R281-F312 HydrophobicContact CB-CE2 4Å; R281-F312 HydrophobicContact CB-CZ 4.03Å; F312-I319 HydrophobicContact CD1-CD1 3.74Å; F312-I319 HydrophobicContact CD1-CG1 3.67Å; F312-I319 HydrophobicContact CE1-CD1 3.4Å; F312-I319 HydrophobicContact CE1-CG1 3.88Å; F312-I319 HydrophobicContact CE2-CD1 4.46Å; F312-I319 HydrophobicContact CG-CD1 4.45Å; F312-I319 HydrophobicContact CG-CG1 4.11Å; F312-I319 HydrophobicContact CZ-CD1 3.78Å; F312-I319 HydrophobicContact CZ-CG1 4.42Å; F312-L333 HydrophobicContact CE1-CD1 3.98Å
313N88.3Confident86.6Confident6 Ų637.8 Ų37.83%0.03220%0.202CC..  trans-72.5173.6168.773.4-30.1000111.5D315 N316 T317 Q318 F354N313-D315 VanDerWaalsContact C-N 3.28Å; N313-D315 PolarHBondContact O-N 2.68Å; N313-N316 PolarHBondContact O-N 2.86Å; N313-N316 WeakPolarHBondContact OD1-CA 3.37Å; N313-N316 PolarHBondContact OD1-N 3.09Å; N313-N316 VanDerWaalsContact OD1-N 3.09Å; N313-T317 PolarHBondContact ND2-OG1 2.84Å; N313-T317 PolarHBondContact OD1-N 3.01Å; N313-Q318 HydrophobicContact CB-CB 4.23Å; N313-Q318 PolarHBondContact N-O 2.79Å; N313-Q318 PolarHBondContact OD1-N 2.79Å; N313-Q318 PolarHBondContact OD1-O 2.83Å; N313-F354 HydrophobicContact CB-CD2 4.08Å; N313-F354 HydrophobicContact CB-CE2 3.73Å; N313-F354 HydrophobicContact CB-CZ 3.98Å
314K83.6Confident86.9Confident62 Ų6241.2 Ų41.227%0.2722%0.215SC..THydrogen-bonded Turntrans-60.4-36.3-176-69.5-171.2163.3-179.10113.4R275 N316 Q356 D358R275-K314 WeakPolarHBondContact CD-O 3.37Å; K314-N316 VanDerWaalsContact C-N 3.35Å; K314-Q356 WeakPolarHBondContact CD-O 3.46Å; K314-Q356 WeakPolarHBondContact CE-O 3.36Å; K314-Q356 PolarHBondContact NZ-O 3.23Å; K314-D358 WeakPolarHBondContact CB-OD2 3.5Å; K314-D358 PolarHBondContact N-OD2 3.17Å; K314-D358 VanDerWaalsContact N-OD2 3.07Å
315D82.9Confident87.1Confident124 Ų12435.9 Ų35.966%0.66318%0.181SC*.THydrogen-bonded Turntrans-90.26.1-177.7-59.8-23.4000113.7N313 T317N313-D315 VanDerWaalsContact C-N 3.28Å; N313-D315 PolarHBondContact O-N 2.68Å; D315-T317 HydrophobicContact CB-CG2 4.1Å; D315-T317 WeakPolarHBondContact O-CG2 3.3Å; D315-T317 PolarHBondContact O-N 2.96Å
316N82.6Confident87.5Confident16 Ų1634.1 Ų34.19%0.08618%0.176CC..SBendtrans55.217.6-174.3-58.7-39.4000114.7R275 D276 N313 K314 L333R275-N316 PolarHBondContact N-OD1 2.79Å; D276-N316 VanDerWaalsContact CG-ND2 3.26Å; D276-N316 PolarHBondContact OD2-ND2 3.29Å; N313-N316 PolarHBondContact O-N 2.86Å; N313-N316 WeakPolarHBondContact OD1-CA 3.37Å; N313-N316 PolarHBondContact OD1-N 3.09Å; N313-N316 VanDerWaalsContact OD1-N 3.09Å; K314-N316 VanDerWaalsContact C-N 3.35Å; N316-L333 VanDerWaalsContact O-CD2 3.23Å; N316-L333 WeakPolarHBondContact O-CD2 3.41Å
317T85.9Confident87.9Confident73 Ų7334.3 Ų34.345%0.44817%0.171SC..SBendtrans-90.8-23.6-178.455.50000113.8N313 D315 L333N313-T317 PolarHBondContact ND2-OG1 2.84Å; N313-T317 PolarHBondContact OD1-N 3.01Å; D315-T317 HydrophobicContact CB-CG2 4.1Å; D315-T317 WeakPolarHBondContact O-CG2 3.3Å; D315-T317 PolarHBondContact O-N 2.96Å; T317-L333 VanDerWaalsContact O-CB 3.28Å; T317-L333 WeakPolarHBondContact O-CB 3.34Å; T317-L333 PolarHBondContact O-N 3.14Å
318Q88.2Confident88.3Confident65 Ų6534.1 Ų34.130%0.30417%0.169SC..EExtended strand (participates in β ladder)trans-132.5153.2-174.9-57.2-178.917.900110.9N313 I330 H331 L339N313-Q318 HydrophobicContact CB-CB 4.23Å; N313-Q318 PolarHBondContact N-O 2.79Å; N313-Q318 PolarHBondContact OD1-N 2.79Å; N313-Q318 PolarHBondContact OD1-O 2.83Å; Q318-I330 HydrophobicContact CB-CG2 3.98Å; Q318-I330 HydrophobicContact CG-CG2 4.44Å; Q318-H331 CarbonylContact C-O 3.57Å; Q318-H331 WeakPolarHBondContact CA-O 3.44Å; Q318-L339 HydrophobicContact CG-CD1 4.01Å
319I88.9Confident88.6Confident0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-132125.1-178.7-69.4168.3000109.6I287 Q311 F312 I330 H331 L333I287-I319 HydrophobicContact CD1-CD1 4.34Å; Q311-I319 WeakPolarHBondContact O-CA 3.36Å; F312-I319 HydrophobicContact CD1-CD1 3.74Å; F312-I319 HydrophobicContact CD1-CG1 3.67Å; F312-I319 HydrophobicContact CE1-CD1 3.4Å; F312-I319 HydrophobicContact CE1-CG1 3.88Å; F312-I319 HydrophobicContact CE2-CD1 4.46Å; F312-I319 HydrophobicContact CG-CD1 4.45Å; F312-I319 HydrophobicContact CG-CG1 4.11Å; F312-I319 HydrophobicContact CZ-CD1 3.78Å; F312-I319 HydrophobicContact CZ-CG1 4.42Å; I319-I330 CarbonylContact O-C 3.6Å; I319-I330 WeakPolarHBondContact O-CA 3.46Å; I319-H331 PolarHBondContact N-O 3.27Å; I319-H331 PolarHBondContact O-N 3.13Å; I319-L333 HydrophobicContact CD1-CD1 3.25Å; I319-L333 HydrophobicContact CG1-CD1 4.27Å
320L90.7Very high88.9Confident1 Ų133.4 Ų33.41%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-88.9141.3172.3-175.368000109.7M310 Q311 V328 R329 I330 F342 A352 F354 V361M310-L320 VanDerWaalsContact CA-O 3.27Å; M310-L320 WeakPolarHBondContact CA-O 3.46Å; Q311-L320 PolarHBondContact N-O 2.82Å; Q311-L320 PolarHBondContact O-N 3.2Å; L320-V328 HydrophobicContact CD1-CG1 3.46Å; L320-V328 VanDerWaalsContact CD1-CG1 3.46Å; L320-V328 HydrophobicContact CG-CG1 4.23Å; L320-R329 CarbonylContact C-O 3.58Å; L320-R329 WeakPolarHBondContact CA-O 3.4Å; L320-I330 HydrophobicContact CD1-CD1 4.46Å; L320-I330 HydrophobicContact CD1-CG1 3.73Å; L320-F342 HydrophobicContact CD1-CE2 4.44Å; L320-A352 HydrophobicContact CD2-CB 3.78Å; L320-A352 HydrophobicContact CG-CB 4.05Å; L320-F354 HydrophobicContact CB-CD2 4.01Å; L320-F354 HydrophobicContact CB-CE1 4.48Å; L320-F354 HydrophobicContact CB-CE2 3.37Å; L320-F354 HydrophobicContact CB-CZ 3.65Å; L320-F354 HydrophobicContact CD2-CD2 4.21Å; L320-F354 HydrophobicContact CD2-CE2 4.34Å; L320-F354 HydrophobicContact CD2-CG 4.44Å; L320-F354 HydrophobicContact CG-CE2 4.42Å; L320-V361 HydrophobicContact CD1-CG1 3.79Å; L320-V361 HydrophobicContact CD1-CG2 3.94Å; L320-V361 HydrophobicContact CD2-CG1 3.92Å; L320-V361 HydrophobicContact CD2-CG2 4.18Å; L320-V361 HydrophobicContact CG-CG1 4.49Å
321S90.7Very high88.9Confident0 Ų032.8 Ų32.80%016%0.158CC..EExtended strand (participates in β ladder)trans-142.6141.7174.253.80000111.8F285 H303 S309 V328 R329F285-S321 WeakPolarHBondContact CE1-OG 3.47Å; F285-S321 WeakPolarHBondContact CZ-OG 3.16Å; H303-S321 PolarHBondContact NE2-OG 2.98Å; S309-S321 WeakPolarHBondContact O-CA 3.29Å; S321-V328 CarbonylContact O-C 3.59Å; S321-V328 VanDerWaalsContact O-CA 3.31Å; S321-V328 WeakPolarHBondContact O-CA 3.36Å; S321-V328 WeakPolarHBondContact O-CG1 3.31Å; S321-R329 PolarHBondContact N-O 2.87Å; S321-R329 PolarHBondContact O-N 3.26Å; S321-R329 PolarHBondContact OG-O 2.47Å
322S90.6Very high88.9Confident0 Ų030.2 Ų30.20%015%0.147CC..EExtended strand (participates in β ladder)trans-112.9154.216960.50000110.6V307 T308 S309 N350V307-S322 CarbonylContact C-O 3.55Å; V307-S322 WeakPolarHBondContact CA-O 3.16Å; V307-S322 WeakPolarHBondContact CG1-O 3.35Å; T308-S322 PolarHBondContact N-O 3.28Å; T308-S322 VanDerWaalsContact OG1-C 3.25Å; T308-S322 PolarHBondContact OG1-O 3.02Å; T308-S322 VanDerWaalsContact OG1-O 3.11Å; T308-S322 PolarHBondContact OG1-OG 3.26Å; S309-S322 WeakPolarHBondContact CB-OG 2.98Å; S309-S322 PolarHBondContact N-OG 2.83Å; S309-S322 VanDerWaalsContact N-OG 3.14Å; S309-S322 PolarHBondContact O-N 3.01Å; S309-S322 PolarHBondContact OG-OG 3.45Å; S322-N350 PolarHBondContact OG-O 3.45Å
323S90.7Very high88.7Confident0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-152.1161.4-176.8145.50000112.5H303 C306 D325 M326 K327 V349H303-S323 VanDerWaalsContact CG-CB 3.45Å; H303-S323 WeakPolarHBondContact ND1-CB 3.26Å; C306-S323 VanDerWaalsContact O-CA 3.25Å; C306-S323 WeakPolarHBondContact O-CA 3.4Å; C306-S323 VanDerWaalsContact O-CB 3.3Å; C306-S323 WeakPolarHBondContact O-CB 3.47Å; C306-S323 PolarHBondContact O-OG 3.33Å; S323-D325 WeakPolarHBondContact CB-OD1 3.37Å; S323-D325 PolarHBondContact O-N 2.84Å; S323-D325 VanDerWaalsContact O-N 3.16Å; S323-D325 PolarHBondContact OG-N 3.4Å; S323-D325 PolarHBondContact OG-OD1 2.86Å; S323-M326 PolarHBondContact O-N 2.83Å; S323-K327 PolarHBondContact N-O 3.16Å; S323-V349 PolarHBondContact O-N 2.85Å
324Y89.6Confident88.2Confident89 Ų8941.7 Ų41.735%0.34919%0.192SC..THydrogen-bonded Turntrans-65.6-6.9172.2-67.2-20.6000114K305 C306 T308 M326 M348K305-Y324 VanDerWaalsContact CD-O 3.26Å; K305-Y324 WeakPolarHBondContact CD-O 3.45Å; C306-Y324 HydrophobicContact CB-CD2 3.81Å; C306-Y324 HydrophobicContact CB-CE2 4.23Å; C306-Y324 PolarHBondContact O-N 2.82Å; T308-Y324 HydrophobicContact CG2-CD1 3.22Å; T308-Y324 HydrophobicContact CG2-CD2 4.49Å; T308-Y324 HydrophobicContact CG2-CE1 3.05Å; T308-Y324 HydrophobicContact CG2-CE2 4.31Å; T308-Y324 HydrophobicContact CG2-CG 4Å; Y324-M326 PolarHBondContact O-N 3.08Å; Y324-M348 HydrophobicContact CD1-CB 3.74Å; Y324-M348 HydrophobicContact CD1-CG 4.01Å; Y324-M348 HydrophobicContact CD1-SD 3.63Å; Y324-M348 HydrophobicContact CD2-SD 4.26Å; Y324-M348 HydrophobicContact CE1-CB 4.39Å; Y324-M348 HydrophobicContact CE1-SD 4.11Å; Y324-M348 HydrophobicContact CG-CB 4.45Å; Y324-M348 HydrophobicContact CG-CG 4.26Å; Y324-M348 HydrophobicContact CG-SD 3.68Å
325D90.3Very high87.9Confident11 Ų1142.8 Ų42.86%0.05920%0.201CC..THydrogen-bonded Turntrans-77.310.3169.972.3-14.2000113.7H303 T304 K305 S323 K327 R329H303-D325 IonicContact CE1-OD1 3.79Å; H303-D325 IonicContact CG-OD1 3.72Å; H303-D325 IonicContact CG-OD2 3.76Å; H303-D325 VanDerWaalsContact ND1-CG 3.29Å; H303-D325 IonicContact ND1-OD1 3.71Å; H303-D325 PolarHBondContact ND1-OD1 3.39Å; H303-D325 IonicContact ND1-OD2 2.63Å; H303-D325 PolarHBondContact ND1-OD2 2.99Å; T304-D325 PolarHBondContact N-OD2 2.86Å; T304-D325 VanDerWaalsContact OG1-CB 3.28Å; T304-D325 WeakPolarHBondContact OG1-CB 3.14Å; K305-D325 HydrophobicContact CB-CB 4.07Å; K305-D325 HydrophobicContact CD-CB 4.41Å; K305-D325 HydrophobicContact CG-CB 4.19Å; S323-D325 WeakPolarHBondContact CB-OD1 3.37Å; S323-D325 PolarHBondContact O-N 2.84Å; S323-D325 VanDerWaalsContact O-N 3.16Å; S323-D325 PolarHBondContact OG-N 3.4Å; S323-D325 PolarHBondContact OG-OD1 2.86Å; D325-K327 PolarHBondContact O-N 3.06Å; D325-K327 PolarHBondContact OD1-N 2.86Å; D325-R329 IonicContact OD2-NH1 3.95Å
326M92.4Very high87.6Confident76 Ų7637.6 Ų37.637%0.37418%0.177SC..SBendtrans67.419.1175.6-46.2-178.5-93.300113.2S323 Y324 S347S323-M326 PolarHBondContact O-N 2.83Å; Y324-M326 PolarHBondContact O-N 3.08Å; M326-S347 WeakPolarHBondContact CB-O 3.42Å; M326-S347 VanDerWaalsContact CG-O 3.31Å; M326-S347 WeakPolarHBondContact CG-O 3.37Å
327K91.7Very high87.7Confident56 Ų5643.7 Ų43.724%0.24320%0.203CC..EExtended strand (participates in β ladder)trans-123.1149.6-176.8-64.7178.1-174.7179.70111S323 D325 R343S323-K327 PolarHBondContact N-O 3.16Å; D325-K327 PolarHBondContact O-N 3.06Å; D325-K327 PolarHBondContact OD1-N 2.86Å; K327-R343 HydrophobicContact CG-CG 4.5Å
328V93.6Very high87.8Confident1 Ų144.1 Ų44.11%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-115137.2167.9-177.80000107.6L320 S321 F342 V349 A352 V361L320-V328 HydrophobicContact CD1-CG1 3.46Å; L320-V328 VanDerWaalsContact CD1-CG1 3.46Å; L320-V328 HydrophobicContact CG-CG1 4.23Å; S321-V328 CarbonylContact O-C 3.59Å; S321-V328 VanDerWaalsContact O-CA 3.31Å; S321-V328 WeakPolarHBondContact O-CA 3.36Å; S321-V328 WeakPolarHBondContact O-CG1 3.31Å; V328-F342 HydrophobicContact CB-CB 4.1Å; V328-F342 HydrophobicContact CB-CD2 3.95Å; V328-F342 HydrophobicContact CB-CG 4.49Å; V328-F342 HydrophobicContact CG1-CD2 3.88Å; V328-F342 HydrophobicContact CG1-CE2 4.47Å; V328-F342 PolarHBondContact N-O 3.35Å; V328-F342 WeakPolarHBondContact O-CB 3.45Å; V328-F342 WeakPolarHBondContact O-CD2 3.48Å; V328-F342 PolarHBondContact O-N 2.75Å; V328-V349 HydrophobicContact CG2-CB 4.33Å; V328-V349 HydrophobicContact CG2-CG1 3.78Å; V328-V349 HydrophobicContact CG2-CG2 4.17Å; V328-A352 HydrophobicContact CG1-CB 3.84Å; V328-A352 HydrophobicContact CG2-CB 4.32Å; V328-V361 HydrophobicContact CG1-CG1 4.26Å
329R92Very high87.8Confident28 Ų2844.8 Ų44.811%0.10621%0.207CC..EExtended strand (participates in β ladder)trans-133.6145.6-174.4-72-178.4172.4156.9-2.3111.6A302 H303 L320 S321 D325 H331 L338 K340 D341A302-R329 VanDerWaalsContact O-CD 3.29Å; A302-R329 WeakPolarHBondContact O-CD 3.15Å; A302-R329 PolarHBondContact O-NH1 2.62Å; H303-R329 VanDerWaalsContact CE1-CD 3.45Å; H303-R329 WeakPolarHBondContact CE1-CD 3.28Å; L320-R329 CarbonylContact C-O 3.58Å; L320-R329 WeakPolarHBondContact CA-O 3.4Å; S321-R329 PolarHBondContact N-O 2.87Å; S321-R329 PolarHBondContact O-N 3.26Å; S321-R329 PolarHBondContact OG-O 2.47Å; D325-R329 IonicContact OD2-NH1 3.95Å; R329-H331 VanDerWaalsContact CB-CE1 3.46Å; R329-H331 WeakPolarHBondContact CB-CE1 3.32Å; R329-L338 HydrophobicContact CB-CD1 3.63Å; R329-L338 HydrophobicContact CG-CD1 3.7Å; R329-K340 WeakPolarHBondContact CA-O 3.33Å; R329-D341 WeakPolarHBondContact CG-OD1 3.34Å; R329-D341 IonicContact CZ-OD1 3.84Å; R329-D341 IonicContact NE-OD1 3.6Å; R329-D341 PolarHBondContact NE-OD1 3.46Å; R329-D341 IonicContact NH2-OD1 2.82Å; R329-D341 IonicContact NH2-OD2 3.86Å
330I91.9Very high87.9Confident2 Ų248 Ų481%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-111.8128.6169.4-64.2168.1000108.7Q318 I319 L320 L339 K340 F342 F354 V361 T375Q318-I330 HydrophobicContact CB-CG2 3.98Å; Q318-I330 HydrophobicContact CG-CG2 4.44Å; I319-I330 CarbonylContact O-C 3.6Å; I319-I330 WeakPolarHBondContact O-CA 3.46Å; L320-I330 HydrophobicContact CD1-CD1 4.46Å; L320-I330 HydrophobicContact CD1-CG1 3.73Å; I330-L339 HydrophobicContact CG2-CB 4.33Å; I330-L339 HydrophobicContact CG2-CD1 4.25Å; I330-L339 PolarHBondContact O-N 3.11Å; I330-K340 HydrophobicContact CB-CB 4.27Å; I330-K340 HydrophobicContact CD1-CB 4.4Å; I330-K340 PolarHBondContact N-O 3.14Å; I330-K340 PolarHBondContact O-N 2.86Å; I330-F342 HydrophobicContact CD1-CE2 3.53Å; I330-F342 HydrophobicContact CD1-CZ 3.61Å; I330-F342 HydrophobicContact CG1-CE2 3.77Å; I330-F342 HydrophobicContact CG1-CZ 4.35Å; I330-F354 HydrophobicContact CD1-CE1 4.03Å; I330-F354 HydrophobicContact CD1-CZ 4.4Å; I330-F354 HydrophobicContact CG1-CE1 4.42Å; I330-F354 HydrophobicContact CG1-CZ 4.32Å; I330-V361 HydrophobicContact CD1-CG2 4.25Å; I330-T375 HydrophobicContact CD1-CG2 3.99Å
331H89Confident88Confident5 Ų549.8 Ų49.82%0.02323%0.23CC..EExtended strand (participates in β ladder)trans-117.1138.6177.8-61.386.4000110.5F285 A302 Q318 I319 R329 K337F285-H331 AromaticContact CE1-ND1 3.97Å; F285-H331 AromaticContact CZ-CE1 3.67Å; F285-H331 AromaticContact CZ-ND1 3.99Å; A302-H331 VanDerWaalsContact CB-NE2 3.32Å; A302-H331 WeakPolarHBondContact CB-NE2 3.36Å; Q318-H331 CarbonylContact C-O 3.57Å; Q318-H331 WeakPolarHBondContact CA-O 3.44Å; I319-H331 PolarHBondContact N-O 3.27Å; I319-H331 PolarHBondContact O-N 3.13Å; R329-H331 VanDerWaalsContact CB-CE1 3.46Å; R329-H331 WeakPolarHBondContact CB-CE1 3.32Å; H331-K337 WeakPolarHBondContact CA-O 3.45Å
332G87.6Confident88.1Confident6 Ų649.8 Ų49.86%0.06223%0.231CC..EExtended strand (participates in β ladder)trans-74.7131.9170.900000111N335 G336 K337G332-N335 PolarHBondContact O-OD1 3.01Å; G332-G336 WeakPolarHBondContact O-CA 3.4Å; G332-G336 PolarHBondContact O-N 2.96Å; G332-K337 PolarHBondContact N-O 3.22Å
333L81.7Confident88Confident34 Ų3457.7 Ų57.718%0.17826%0.26CS..THydrogen-bonded Turntrans-64.1-43.7-180-16881.7000111.9L279 I287 F312 N316 T317 I319L279-L333 HydrophobicContact CD1-CD2 4.18Å; I287-L333 HydrophobicContact CD1-CD1 3.33Å; I287-L333 HydrophobicContact CD1-CG 4.31Å; I287-L333 HydrophobicContact CG1-CD1 4.42Å; F312-L333 HydrophobicContact CE1-CD1 3.98Å; N316-L333 VanDerWaalsContact O-CD2 3.23Å; N316-L333 WeakPolarHBondContact O-CD2 3.41Å; T317-L333 VanDerWaalsContact O-CB 3.28Å; T317-L333 WeakPolarHBondContact O-CB 3.34Å; T317-L333 PolarHBondContact O-N 3.14Å; I319-L333 HydrophobicContact CD1-CD1 3.25Å; I319-L333 HydrophobicContact CG1-CD1 4.27Å
334R79Confident87.7Confident227 Ų22759.5 Ų59.586%0.85728%0.279SS*.THydrogen-bonded Turntrans-71.3-35.2-170.8-167.1177.1-174.9-171.22.3113.6R297R297-R334 PolarHBondContact NH1-O 2.62Å; R297-R334 PolarHBondContact NH2-O 2.96Å
335N77.2Confident87.7Confident85 Ų8555.9 Ų55.946%0.45527%0.265SS..THydrogen-bonded Turntrans-112.1-15.4-177.160.37.6000112.8G332 K337G332-N335 PolarHBondContact O-OD1 3.01Å; N335-K337 HydrophobicContact CB-CG 4.19Å; N335-K337 PolarHBondContact O-N 2.99Å; N335-K337 PolarHBondContact OD1-N 3.28Å; N335-K337 VanDerWaalsContact OD1-N 3.11Å
336G75.8Confident87.6Confident15 Ų1561.9 Ų61.916%0.15529%0.293CS..  trans71.82.7-17600000116.2F299 G332F299-G336 VanDerWaalsContact CZ-CA 3.42Å; G332-G336 WeakPolarHBondContact O-CA 3.4Å; G332-G336 PolarHBondContact O-N 2.96Å
337K84.2Confident87.4Confident143 Ų14360 Ų6062%0.62229%0.287SS*.  trans-78.3145.2-173.9-66-173.7177.1-176.20109.1H331 G332 N335 L339H331-K337 WeakPolarHBondContact CA-O 3.45Å; G332-K337 PolarHBondContact N-O 3.22Å; N335-K337 HydrophobicContact CB-CG 4.19Å; N335-K337 PolarHBondContact O-N 2.99Å; N335-K337 PolarHBondContact OD1-N 3.28Å; N335-K337 VanDerWaalsContact OD1-N 3.11Å; K337-L339 PolarHBondContact O-N 3.4Å
338L88.2Confident87.4Confident83 Ų8360.8 Ų60.844%0.43529%0.292SS..EExtended strand (participates in β ladder)trans-63120.1166.4-17965.6000108.3R329 K340 D341R329-L338 HydrophobicContact CB-CD1 3.63Å; R329-L338 HydrophobicContact CG-CD1 3.7Å; L338-K340 VanDerWaalsContact CD1-O 3.23Å; L338-K340 WeakPolarHBondContact CD1-O 3.27Å; L338-D341 HydrophobicContact CD2-CB 4.28Å
339L89.1Confident87.3Confident78 Ų7860.7 Ų60.741%0.40829%0.292SS..EExtended strand (participates in β ladder)trans-92.8-44.1176.9-63.5176.4000110.8Q318 I330 K337Q318-L339 HydrophobicContact CG-CD1 4.01Å; I330-L339 HydrophobicContact CG2-CB 4.33Å; I330-L339 HydrophobicContact CG2-CD1 4.25Å; I330-L339 PolarHBondContact O-N 3.11Å; K337-L339 PolarHBondContact O-N 3.4Å
340K91.3Very high87.2Confident69 Ų6960.7 Ų60.730%0.329%0.294SS..EExtended strand (participates in β ladder)trans-142.5143.7-179.2-68.4-65.5-172.81700111.7R329 I330 L338 F342 T375 R376 T377R329-K340 WeakPolarHBondContact CA-O 3.33Å; I330-K340 HydrophobicContact CB-CB 4.27Å; I330-K340 HydrophobicContact CD1-CB 4.4Å; I330-K340 PolarHBondContact N-O 3.14Å; I330-K340 PolarHBondContact O-N 2.86Å; L338-K340 VanDerWaalsContact CD1-O 3.23Å; L338-K340 WeakPolarHBondContact CD1-O 3.27Å; K340-F342 HydrophobicContact CB-CE2 4.43Å; K340-F342 HydrophobicContact CB-CZ 4.27Å; K340-T375 WeakPolarHBondContact CE-O 3.42Å; K340-R376 VanDerWaalsContact CE-O 3.24Å; K340-R376 WeakPolarHBondContact CE-O 3.46Å; K340-R376 PolarHBondContact NZ-O 2.73Å; K340-T377 PolarHBondContact NZ-O 3.16Å; K340-T377 VanDerWaalsContact NZ-O 3.16Å
341D91.6Very high87.1Confident37 Ų3761.1 Ų61.120%0.19830%0.297CS..EExtended strand (participates in β ladder)trans-124.2115.2176.4-167.434.5000107.5R329 L338 R343R329-D341 WeakPolarHBondContact CG-OD1 3.34Å; R329-D341 IonicContact CZ-OD1 3.84Å; R329-D341 IonicContact NE-OD1 3.6Å; R329-D341 PolarHBondContact NE-OD1 3.46Å; R329-D341 IonicContact NH2-OD1 2.82Å; R329-D341 IonicContact NH2-OD2 3.86Å; L338-D341 HydrophobicContact CD2-CB 4.28Å; D341-R343 IonicContact OD2-CZ 3.97Å; D341-R343 VanDerWaalsContact OD2-CZ 3.26Å; D341-R343 IonicContact OD2-NE 3.26Å; D341-R343 PolarHBondContact OD2-NE 3.31Å; D341-R343 IonicContact OD2-NH2 2.8Å; D341-R343 PolarHBondContact OD2-NH2 2.89Å
342F92.2Very high87.3Confident1 Ų161.3 Ų61.30%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-97.7120.3178.8-56.8-75.4000109.1L320 V328 I330 K340 V361 W373 G378L320-F342 HydrophobicContact CD1-CE2 4.44Å; V328-F342 HydrophobicContact CB-CB 4.1Å; V328-F342 HydrophobicContact CB-CD2 3.95Å; V328-F342 HydrophobicContact CB-CG 4.49Å; V328-F342 HydrophobicContact CG1-CD2 3.88Å; V328-F342 HydrophobicContact CG1-CE2 4.47Å; V328-F342 PolarHBondContact N-O 3.35Å; V328-F342 WeakPolarHBondContact O-CB 3.45Å; V328-F342 WeakPolarHBondContact O-CD2 3.48Å; V328-F342 PolarHBondContact O-N 2.75Å; I330-F342 HydrophobicContact CD1-CE2 3.53Å; I330-F342 HydrophobicContact CD1-CZ 3.61Å; I330-F342 HydrophobicContact CG1-CE2 3.77Å; I330-F342 HydrophobicContact CG1-CZ 4.35Å; K340-F342 HydrophobicContact CB-CE2 4.43Å; K340-F342 HydrophobicContact CB-CZ 4.27Å; F342-V361 HydrophobicContact CE2-CB 4.47Å; F342-V361 HydrophobicContact CE2-CG1 4.42Å; F342-V361 HydrophobicContact CE2-CG2 4.44Å; F342-V361 HydrophobicContact CZ-CB 4.44Å; F342-V361 HydrophobicContact CZ-CG2 4.44Å; F342-W373 HydrophobicContact CB-CD2 3.77Å; F342-W373 HydrophobicContact CB-CE3 3.77Å; F342-W373 HydrophobicContact CB-CG 4.31Å; F342-W373 HydrophobicContact CB-CH2 4.32Å; F342-W373 HydrophobicContact CB-CZ2 4.29Å; F342-W373 HydrophobicContact CB-CZ3 4.05Å; F342-W373 HydrophobicContact CD1-CB 3.58Å; F342-W373 AromaticContact CD1-CD2 3.78Å; F342-W373 HydrophobicContact CD1-CD2 3.78Å; F342-W373 AromaticContact CD1-CE3 3.66Å; F342-W373 HydrophobicContact CD1-CE3 3.66Å; F342-W373 AromaticContact CD1-CG 3.77Å; F342-W373 HydrophobicContact CD1-CG 3.77Å; F342-W373 HydrophobicContact CE1-CB 3.55Å; F342-W373 HydrophobicContact CE1-CG 4.22Å; F342-W373 HydrophobicContact CG-CB 4.28Å; F342-W373 HydrophobicContact CG-CD2 4Å; F342-W373 HydrophobicContact CG-CE3 4.11Å; F342-W373 HydrophobicContact CG-CG 4.08Å; F342-W373 HydrophobicContact CZ-CB 4.24Å; F342-G378 WeakPolarHBondContact CD1-O 3.34Å
343R89.4Confident87.5Confident165 Ų16561.4 Ų61.462%0.62330%0.299SS*.EExtended strand (participates in β ladder)trans-123.1134.9-177-61-176.8-176.4178.76109.9K327 D341 W373K327-R343 HydrophobicContact CG-CG 4.5Å; D341-R343 IonicContact OD2-CZ 3.97Å; D341-R343 VanDerWaalsContact OD2-CZ 3.26Å; D341-R343 IonicContact OD2-NE 3.26Å; D341-R343 PolarHBondContact OD2-NE 3.31Å; D341-R343 IonicContact OD2-NH2 2.8Å; D341-R343 PolarHBondContact OD2-NH2 2.89Å; R343-W373 VanDerWaalsContact C-CH2 3.48Å; R343-W373 WeakPolarHBondContact O-CH2 3.44Å; R343-W373 WeakPolarHBondContact O-CZ3 3.49Å
344G85.2Confident87.9Confident38 Ų3860.5 Ų60.539%0.39229%0.293SS..  trans147.2-1.517400000115.5K371G344-K371 WeakPolarHBondContact O-CE 3.27Å; G344-K371 PolarHBondContact O-NZ 2.89Å
345H88.7Confident88.2Confident14 Ų1450.3 Ų50.37%0.06526%0.258CS..  trans-74142.5162-77-71000109.8V349 S363 A365 S369 W373H345-V349 HydrophobicContact CB-CG2 4Å; H345-S363 PolarHBondContact NE2-OG 3.23Å; H345-A365 HydrophobicContact CB-CB 4.35Å; H345-A365 VanDerWaalsContact ND1-CB 3.34Å; H345-A365 WeakPolarHBondContact ND1-CB 3.49Å; H345-S369 PolarHBondContact CE1-O 2.79Å; H345-S369 PolarHBondContact CE1-OG 3.05Å; H345-S369 PolarHBondContact ND1-OG 3.05Å; H345-W373 AromaticContact CD2-CZ2 3.94Å
346E87.2Confident88.3Confident137 Ų13750.6 Ų50.664%0.6426%0.256SS*.SBendtrans-94-10.5-179.3-66.9168.2162.100111.3D367 R385E346-D367 PolarHBondContact N-OD2 2.88Å; E346-R385 IonicContact OE1-NH2 2.98Å; E346-R385 IonicContact OE2-CZ 3.57Å; E346-R385 IonicContact OE2-NH1 3.58Å; E346-R385 IonicContact OE2-NH2 3.24Å; E346-R385 PolarHBondContact OE2-NH2 2.85Å
347S90Very high88.4Confident35 Ų3554.9 Ų54.925%0.24528%0.276CS..SBendtrans-135.3178.5178.8-168.80000112M326 C366 D367M326-S347 WeakPolarHBondContact CB-O 3.42Å; M326-S347 VanDerWaalsContact CG-O 3.31Å; M326-S347 WeakPolarHBondContact CG-O 3.37Å; S347-C366 WeakPolarHBondContact OG-CB 3.37Å; S347-D367 PolarHBondContact N-OD2 3.28Å
348M90.8Very high88.2Confident73 Ų7349.6 Ų49.636%0.3625%0.254SS..  trans-57137178.7-64.2-173.2-165.500111.1Y324 A365 C366Y324-M348 HydrophobicContact CD1-CB 3.74Å; Y324-M348 HydrophobicContact CD1-CG 4.01Å; Y324-M348 HydrophobicContact CD1-SD 3.63Å; Y324-M348 HydrophobicContact CD2-SD 4.26Å; Y324-M348 HydrophobicContact CE1-CB 4.39Å; Y324-M348 HydrophobicContact CE1-SD 4.11Å; Y324-M348 HydrophobicContact CG-CB 4.45Å; Y324-M348 HydrophobicContact CG-CG 4.26Å; Y324-M348 HydrophobicContact CG-SD 3.68Å; M348-A365 CarbonylContact O-C 3.49Å; M348-A365 VanDerWaalsContact O-CA 3.27Å; M348-A365 WeakPolarHBondContact O-CA 3.43Å; M348-A365 WeakPolarHBondContact O-CB 3.13Å; M348-C366 HydrophobicContact CB-CB 4.46Å; M348-C366 PolarHBondContact O-N 3.48Å
349V91.6Very high88.1Confident0 Ų051.3 Ų51.30%026%0.26CS..EExtended strand (participates in β ladder)trans-95.7123177.5-172.50000108.6T308 S323 V328 H345 G364 A365T308-V349 WeakPolarHBondContact CB-O 3.33Å; T308-V349 WeakPolarHBondContact CG2-O 3.5Å; T308-V349 PolarHBondContact OG1-O 2.84Å; S323-V349 PolarHBondContact O-N 2.85Å; V328-V349 HydrophobicContact CG2-CB 4.33Å; V328-V349 HydrophobicContact CG2-CG1 3.78Å; V328-V349 HydrophobicContact CG2-CG2 4.17Å; H345-V349 HydrophobicContact CB-CG2 4Å; V349-G364 WeakPolarHBondContact CG1-O 3.27Å; V349-A365 HydrophobicContact CG2-CB 4.49Å
350N89.5Confident88.2Confident27 Ų2752 Ų5214%0.14426%0.258CS..EExtended strand (participates in β ladder)trans-90.4-42.5-177.5-73.1-18.3000111.9T308 S322 G364 C366 I397T308-N350 VanDerWaalsContact CB-O 3.27Å; T308-N350 WeakPolarHBondContact CB-O 3.41Å; T308-N350 PolarHBondContact OG1-O 3.04Å; T308-N350 VanDerWaalsContact OG1-O 3.14Å; S322-N350 PolarHBondContact OG-O 3.45Å; N350-G364 PolarHBondContact N-O 3.07Å; N350-C366 VanDerWaalsContact CG-SG 3.55Å; N350-C366 PolarHBondContact ND2-SG 2.87Å; N350-C366 PolarHBondContact OD1-SG 3Å; N350-I397 VanDerWaalsContact CB-O 3.32Å; N350-I397 WeakPolarHBondContact CB-O 3.43Å; N350-I397 PolarHBondContact ND2-O 3.32Å
351C90.8Very high88.2Confident12 Ų1248.8 Ų48.88%0.08124%0.243CC..EExtended strand (participates in β ladder)trans-136.8145.9-176.5590000111.7S309 S363 G364 M400S309-C351 WeakPolarHBondContact OG-CA 3.23Å; C351-S363 WeakPolarHBondContact O-CA 3.31Å; C351-G364 PolarHBondContact N-O 3.32Å; C351-G364 PolarHBondContact O-N 2.92Å; C351-M400 VanDerWaalsContact SG-CG 3.54Å
352A91.9Very high88.3Confident9 Ų947.1 Ų47.17%0.07424%0.235CC..EExtended strand (participates in β ladder)trans-141.7145.1169.400000110.2S309 L320 V328 L362S309-A352 PolarHBondContact OG-N 2.88Å; L320-A352 HydrophobicContact CD2-CB 3.78Å; L320-A352 HydrophobicContact CG-CB 4.05Å; V328-A352 HydrophobicContact CG1-CB 3.84Å; V328-A352 HydrophobicContact CG2-CB 4.32Å; A352-L362 CarbonylContact C-O 3.59Å; A352-L362 VanDerWaalsContact CA-O 3.24Å; A352-L362 WeakPolarHBondContact CA-O 3.24Å
353M91.7Very high88.3Confident8 Ų847.1 Ų47.14%0.03924%0.235CC..EExtended strand (participates in β ladder)trans-139.7153.41776716854.600113.2V361 L362 M400 I401 V410M353-V361 CarbonylContact O-C 3.54Å; M353-V361 WeakPolarHBondContact O-CA 3.41Å; M353-L362 HydrophobicContact CG-CB 3.88Å; M353-L362 PolarHBondContact N-O 3.45Å; M353-L362 PolarHBondContact O-N 2.8Å; M353-L362 HydrophobicContact SD-CD1 4.39Å; M353-M400 HydrophobicContact CE-CB 3.55Å; M353-M400 WeakPolarHBondContact CE-O 3.4Å; M353-I401 VanDerWaalsContact CE-N 3.32Å; M353-V410 HydrophobicContact CE-CG1 4.11Å; M353-V410 HydrophobicContact SD-CG1 3.93Å; M353-V410 HydrophobicContact SD-CG2 4.23Å
354F89.9Confident88.4Confident14 Ų1439.2 Ų39.26%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-76.1136.6162.9-71.4-72.9000110.5N313 L320 I330 D358 V361 T375N313-F354 HydrophobicContact CB-CD2 4.08Å; N313-F354 HydrophobicContact CB-CE2 3.73Å; N313-F354 HydrophobicContact CB-CZ 3.98Å; L320-F354 HydrophobicContact CB-CD2 4.01Å; L320-F354 HydrophobicContact CB-CE1 4.48Å; L320-F354 HydrophobicContact CB-CE2 3.37Å; L320-F354 HydrophobicContact CB-CZ 3.65Å; L320-F354 HydrophobicContact CD2-CD2 4.21Å; L320-F354 HydrophobicContact CD2-CE2 4.34Å; L320-F354 HydrophobicContact CD2-CG 4.44Å; L320-F354 HydrophobicContact CG-CE2 4.42Å; I330-F354 HydrophobicContact CD1-CE1 4.03Å; I330-F354 HydrophobicContact CD1-CZ 4.4Å; I330-F354 HydrophobicContact CG1-CE1 4.42Å; I330-F354 HydrophobicContact CG1-CZ 4.32Å; F354-D358 WeakPolarHBondContact CB-OD1 3.37Å; F354-V361 HydrophobicContact CD1-CG2 3.63Å; F354-V361 HydrophobicContact CE1-CG2 3.78Å; F354-V361 HydrophobicContact CG-CG2 4.49Å; F354-T375 HydrophobicContact CE1-CG2 4.38Å
355A86.6Confident88.7Confident13 Ų1337.4 Ų37.411%0.10719%0.186CC..  trans-67.9161.1162.900000109.9D357 D358 Y360 M424A355-D357 PolarHBondContact O-N 3.16Å; A355-D357 VanDerWaalsContact O-N 3.16Å; A355-D358 PolarHBondContact O-N 3.27Å; A355-Y360 WeakPolarHBondContact CB-O 3.47Å; A355-Y360 PolarHBondContact N-O 2.79Å; A355-M424 HydrophobicContact CB-CE 3.74Å
356Q78.4Confident88.7Confident91 Ų9138.7 Ų38.743%0.42520%0.196SC..THydrogen-bonded Turntrans-54.3-36.8-179.5-90.7-113.79.800113.3K314 D358 P407K314-Q356 WeakPolarHBondContact CD-O 3.46Å; K314-Q356 WeakPolarHBondContact CE-O 3.36Å; K314-Q356 PolarHBondContact NZ-O 3.23Å; Q356-D358 PolarHBondContact O-N 2.74Å; Q356-P407 HydrophobicContact CB-CB 3.95Å; Q356-P407 HydrophobicContact CG-CB 3.46Å; Q356-P407 VanDerWaalsContact CG-CB 3.46Å
357D78.5Confident88.5Confident106 Ų10633.7 Ų33.757%0.56717%0.174SC*.THydrogen-bonded Turntrans-80.51.5-178.6-60.6-22000113.8A355 H359A355-D357 PolarHBondContact O-N 3.16Å; A355-D357 VanDerWaalsContact O-N 3.16Å; D357-H359 HydrophobicContact CB-CB 4.34Å; D357-H359 PolarHBondContact O-N 3.02Å; D357-H359 PolarHBondContact O-ND1 2.72Å
358D80.3Confident88.2Confident31 Ų3132 Ų3217%0.16616%0.162CC..SBendtrans53.42.1-171.3-78.8-8.5000114.5K314 F354 A355 Q356 T375K314-D358 WeakPolarHBondContact CB-OD2 3.5Å; K314-D358 PolarHBondContact N-OD2 3.17Å; K314-D358 VanDerWaalsContact N-OD2 3.07Å; F354-D358 WeakPolarHBondContact CB-OD1 3.37Å; A355-D358 PolarHBondContact O-N 3.27Å; Q356-D358 PolarHBondContact O-N 2.74Å; D358-T375 VanDerWaalsContact O-CG2 3.29Å; D358-T375 WeakPolarHBondContact O-CG2 3.3Å; D358-T375 PolarHBondContact O-OG1 3.39Å
359H85.8Confident88.1Confident120 Ų12028.6 Ų28.656%0.55615%0.145SC*.SBendtrans-81-20.9177.3-66-23000113.2D357 T375D357-H359 HydrophobicContact CB-CB 4.34Å; D357-H359 PolarHBondContact O-N 3.02Å; D357-H359 PolarHBondContact O-ND1 2.72Å; H359-T375 VanDerWaalsContact C-OG1 3.27Å; H359-T375 WeakPolarHBondContact CA-OG1 3.5Å; H359-T375 PolarHBondContact O-N 2.99Å; H359-T375 PolarHBondContact O-OG1 3.46Å
360Y90.4Very high88.1Confident93 Ų9328.6 Ų28.637%0.36515%0.145SC..EExtended strand (participates in β ladder)trans-127.5150.4179.6-58.4-76000111.3A355 L372 W373 V381A355-Y360 WeakPolarHBondContact CB-O 3.47Å; A355-Y360 PolarHBondContact N-O 2.79Å; Y360-L372 HydrophobicContact CD1-CD2 4.48Å; Y360-L372 HydrophobicContact CD1-CG 4.36Å; Y360-L372 HydrophobicContact CG-CD1 4.33Å; Y360-W373 CarbonylContact C-O 3.56Å; Y360-W373 WeakPolarHBondContact CA-O 3.39Å; Y360-V381 HydrophobicContact CD1-CG2 4.38Å; Y360-V381 HydrophobicContact CE1-CG2 4.14Å
361V92.6Very high88.2Confident0 Ų028.3 Ų28.30%014%0.143CC..EExtended strand (participates in β ladder)trans-122.1134.7172161.50000107.8L320 V328 I330 F342 M353 F354 L372 W373 T375L320-V361 HydrophobicContact CD1-CG1 3.79Å; L320-V361 HydrophobicContact CD1-CG2 3.94Å; L320-V361 HydrophobicContact CD2-CG1 3.92Å; L320-V361 HydrophobicContact CD2-CG2 4.18Å; L320-V361 HydrophobicContact CG-CG1 4.49Å; V328-V361 HydrophobicContact CG1-CG1 4.26Å; I330-V361 HydrophobicContact CD1-CG2 4.25Å; F342-V361 HydrophobicContact CE2-CB 4.47Å; F342-V361 HydrophobicContact CE2-CG1 4.42Å; F342-V361 HydrophobicContact CE2-CG2 4.44Å; F342-V361 HydrophobicContact CZ-CB 4.44Å; F342-V361 HydrophobicContact CZ-CG2 4.44Å; M353-V361 CarbonylContact O-C 3.54Å; M353-V361 WeakPolarHBondContact O-CA 3.41Å; F354-V361 HydrophobicContact CD1-CG2 3.63Å; F354-V361 HydrophobicContact CE1-CG2 3.78Å; F354-V361 HydrophobicContact CG-CG2 4.49Å; V361-L372 CarbonylContact O-C 3.41Å; V361-W373 HydrophobicContact CB-CB 4.29Å; V361-W373 PolarHBondContact N-O 2.92Å; V361-W373 PolarHBondContact O-N 2.82Å; V361-T375 HydrophobicContact CB-CG2 4.41Å; V361-T375 HydrophobicContact CG2-CG2 3.57Å
362L92.6Very high88.3Confident3 Ų328.1 Ų28.12%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-105.3141170.5-82.2164.6000109.5A352 M353 I370 K371 L372 M400 V410 M424A352-L362 CarbonylContact C-O 3.59Å; A352-L362 VanDerWaalsContact CA-O 3.24Å; A352-L362 WeakPolarHBondContact CA-O 3.24Å; M353-L362 HydrophobicContact CG-CB 3.88Å; M353-L362 PolarHBondContact N-O 3.45Å; M353-L362 PolarHBondContact O-N 2.8Å; M353-L362 HydrophobicContact SD-CD1 4.39Å; L362-I370 HydrophobicContact CD2-CG2 3.93Å; L362-K371 WeakPolarHBondContact CA-O 3.42Å; L362-L372 HydrophobicContact CD2-CB 4.08Å; L362-L372 HydrophobicContact CD2-CD1 3.62Å; L362-L372 HydrophobicContact CD2-CG 4.47Å; L362-L372 HydrophobicContact CG-CD1 3.69Å; L362-M400 HydrophobicContact CB-CE 3.5Å; L362-M400 HydrophobicContact CD1-CE 3.99Å; L362-M400 HydrophobicContact CD2-CE 4.27Å; L362-M400 HydrophobicContact CG-CE 4.15Å; L362-V410 HydrophobicContact CD1-CB 4.44Å; L362-V410 HydrophobicContact CD1-CG1 4.47Å; L362-V410 HydrophobicContact CD1-CG2 3.71Å; L362-M424 HydrophobicContact CD1-CE 3.8Å; L362-M424 HydrophobicContact CD1-SD 3.63Å; L362-M424 HydrophobicContact CG-CE 4.15Å
363S93.3Very high88.3Confident0 Ų027.9 Ų27.90%014%0.138CC..EExtended strand (participates in β ladder)trans-139.9141.5173.758.90000112.3H345 C351 I370 K371 W373H345-S363 PolarHBondContact NE2-OG 3.23Å; C351-S363 WeakPolarHBondContact O-CA 3.31Å; S363-I370 CarbonylContact O-C 3.55Å; S363-I370 VanDerWaalsContact O-CA 3.27Å; S363-I370 WeakPolarHBondContact O-CA 3.49Å; S363-K371 PolarHBondContact N-O 3.26Å; S363-K371 PolarHBondContact O-N 3.01Å; S363-W373 PolarHBondContact OG-NE1 3.01Å
364G90.9Very high88.3Confident0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-117.4133178.900000111.3V349 N350 C351V349-G364 WeakPolarHBondContact CG1-O 3.27Å; N350-G364 PolarHBondContact N-O 3.07Å; C351-G364 PolarHBondContact N-O 3.32Å; C351-G364 PolarHBondContact O-N 2.92Å
365A91.3Very high88.3Confident0 Ų028.7 Ų28.70%015%0.146CC..EExtended strand (participates in β ladder)trans-115.9165.9-176.300000113.4H345 M348 V349 D367 G368 S369 I397H345-A365 HydrophobicContact CB-CB 4.35Å; H345-A365 VanDerWaalsContact ND1-CB 3.34Å; H345-A365 WeakPolarHBondContact ND1-CB 3.49Å; M348-A365 CarbonylContact O-C 3.49Å; M348-A365 VanDerWaalsContact O-CA 3.27Å; M348-A365 WeakPolarHBondContact O-CA 3.43Å; M348-A365 WeakPolarHBondContact O-CB 3.13Å; V349-A365 HydrophobicContact CG2-CB 4.49Å; A365-D367 WeakPolarHBondContact CB-OD1 3.17Å; A365-D367 PolarHBondContact O-N 3.07Å; A365-G368 PolarHBondContact O-N 2.93Å; A365-G368 VanDerWaalsContact O-N 3.16Å; A365-S369 PolarHBondContact N-O 2.9Å; A365-I397 PolarHBondContact O-N 2.9Å
366C87.7Confident88.3Confident41 Ų4138.1 Ų38.128%0.27718%0.178SC..THydrogen-bonded Turntrans-65.5-21.4177.5-70.20000113.5S347 M348 N350 G368 S396S347-C366 WeakPolarHBondContact OG-CB 3.37Å; M348-C366 HydrophobicContact CB-CB 4.46Å; M348-C366 PolarHBondContact O-N 3.48Å; N350-C366 VanDerWaalsContact CG-SG 3.55Å; N350-C366 PolarHBondContact ND2-SG 2.87Å; N350-C366 PolarHBondContact OD1-SG 3Å; C366-G368 PolarHBondContact O-N 2.79Å; C366-S396 WeakPolarHBondContact O-CA 3.29Å
367D83.7Confident88.7Confident31 Ų3137 Ų3717%0.16618%0.178CC..THydrogen-bonded Turntrans-77.14.2174.959.113.1000113.3E346 S347 A365 S369E346-D367 PolarHBondContact N-OD2 2.88Å; S347-D367 PolarHBondContact N-OD2 3.28Å; A365-D367 WeakPolarHBondContact CB-OD1 3.17Å; A365-D367 PolarHBondContact O-N 3.07Å; D367-S369 VanDerWaalsContact CG-OG 3.27Å; D367-S369 PolarHBondContact O-N 2.86Å; D367-S369 VanDerWaalsContact OD1-CB 3.25Å; D367-S369 WeakPolarHBondContact OD1-CB 2.98Å; D367-S369 PolarHBondContact OD1-N 3.29Å; D367-S369 PolarHBondContact OD1-OG 3.19Å; D367-S369 PolarHBondContact OD2-OG 3.12Å
368G84.2Confident89Confident0 Ų032.6 Ų32.60%016%0.158CC..SBendtrans73.59.4-176.700000113.9A365 C366 L392 L395 I397A365-G368 PolarHBondContact O-N 2.93Å; A365-G368 VanDerWaalsContact O-N 3.16Å; C366-G368 PolarHBondContact O-N 2.79Å; G368-L392 WeakPolarHBondContact O-CB 3.47Å; G368-L392 WeakPolarHBondContact O-CD1 3.49Å; G368-L395 WeakPolarHBondContact CA-O 3.37Å; G368-I397 VanDerWaalsContact C-CD1 3.46Å
369S88.6Confident89.4Confident1 Ų137.6 Ų37.61%0.00718%0.18CC..  trans-8613117470.40000111.6H345 A365 D367 I397H345-S369 PolarHBondContact CE1-O 2.79Å; H345-S369 PolarHBondContact CE1-OG 3.05Å; H345-S369 PolarHBondContact ND1-OG 3.05Å; A365-S369 PolarHBondContact N-O 2.9Å; D367-S369 VanDerWaalsContact CG-OG 3.27Å; D367-S369 PolarHBondContact O-N 2.86Å; D367-S369 VanDerWaalsContact OD1-CB 3.25Å; D367-S369 WeakPolarHBondContact OD1-CB 2.98Å; D367-S369 PolarHBondContact OD1-N 3.29Å; D367-S369 PolarHBondContact OD1-OG 3.19Å; D367-S369 PolarHBondContact OD2-OG 3.12Å; S369-I397 VanDerWaalsContact C-CD1 3.47Å; S369-I397 VanDerWaalsContact O-CD1 3.24Å; S369-I397 WeakPolarHBondContact O-CD1 3.22Å
370I91.1Very high89.6Confident0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-101.6130164-55.6172.9000107.6L362 S363 T383 Y384 L387 I397 M400 V412 I422L362-I370 HydrophobicContact CD2-CG2 3.93Å; S363-I370 CarbonylContact O-C 3.55Å; S363-I370 VanDerWaalsContact O-CA 3.27Å; S363-I370 WeakPolarHBondContact O-CA 3.49Å; I370-T383 CarbonylContact O-C 3.58Å; I370-T383 WeakPolarHBondContact O-CA 3.35Å; I370-Y384 HydrophobicContact CB-CD2 4.08Å; I370-Y384 HydrophobicContact CG2-CD2 4Å; I370-Y384 PolarHBondContact N-O 2.62Å; I370-Y384 PolarHBondContact O-N 3.16Å; I370-L387 HydrophobicContact CD1-CD1 3.88Å; I370-I397 HydrophobicContact CB-CD1 4.48Å; I370-I397 HydrophobicContact CD1-CD1 4.32Å; I370-I397 HydrophobicContact CG1-CD1 3.38Å; I370-I397 HydrophobicContact CG1-CG1 4.28Å; I370-M400 HydrophobicContact CG2-CE 4.01Å; I370-M400 HydrophobicContact CG2-SD 4.13Å; I370-V412 HydrophobicContact CD1-CB 4.33Å; I370-V412 HydrophobicContact CD1-CG1 3.81Å; I370-V412 HydrophobicContact CD1-CG2 3.6Å; I370-I422 HydrophobicContact CD1-CD1 4.07Å
371K91.9Very high89.5Confident21 Ų2133.6 Ų33.69%0.09118%0.176CC..EExtended strand (participates in β ladder)trans-117.2137.9174.8-71.6-176177-115.30110.8G344 L362 S363 W373 N382 T383G344-K371 WeakPolarHBondContact O-CE 3.27Å; G344-K371 PolarHBondContact O-NZ 2.89Å; L362-K371 WeakPolarHBondContact CA-O 3.42Å; S363-K371 PolarHBondContact N-O 3.26Å; S363-K371 PolarHBondContact O-N 3.01Å; K371-W373 HydrophobicContact CB-CZ2 3.77Å; K371-W373 HydrophobicContact CD-CH2 3.85Å; K371-W373 HydrophobicContact CD-CZ2 3.39Å; K371-W373 HydrophobicContact CG-CZ2 4.21Å; K371-N382 WeakPolarHBondContact CA-O 3.35Å; K371-T383 HydrophobicContact CG-CG2 3.93Å; K371-T383 PolarHBondContact NZ-OG1 3.26Å
372L92.6Very high89.3Confident9 Ų937 Ų375%0.04719%0.194CC..EExtended strand (participates in β ladder)trans-100.9124.8169.6-176.270.6000108.2Y360 V361 L362 S380 V381 N382 Y384 M424Y360-L372 HydrophobicContact CD1-CD2 4.48Å; Y360-L372 HydrophobicContact CD1-CG 4.36Å; Y360-L372 HydrophobicContact CG-CD1 4.33Å; V361-L372 CarbonylContact O-C 3.41Å; L362-L372 HydrophobicContact CD2-CB 4.08Å; L362-L372 HydrophobicContact CD2-CD1 3.62Å; L362-L372 HydrophobicContact CD2-CG 4.47Å; L362-L372 HydrophobicContact CG-CD1 3.69Å; L372-S380 CarbonylContact O-C 3.51Å; L372-S380 WeakPolarHBondContact O-CA 3.31Å; L372-V381 HydrophobicContact CD2-CB 4.32Å; L372-V381 HydrophobicContact CD2-CG1 4.39Å; L372-V381 HydrophobicContact CG-CB 4.45Å; L372-V381 PolarHBondContact O-N 2.88Å; L372-N382 HydrophobicContact CB-CB 4.25Å; L372-N382 PolarHBondContact N-O 3.28Å; L372-N382 PolarHBondContact O-N 3.17Å; L372-Y384 HydrophobicContact CB-CE2 4.29Å; L372-M424 HydrophobicContact CD1-CE 3.45Å; L372-M424 VanDerWaalsContact CD1-CE 3.45Å
373W93Very high89.1Confident3 Ų339.6 Ų39.61%0.01121%0.21CC..EExtended strand (participates in β ladder)trans-116.5142.9-177.4-52.889000110.3F342 R343 H345 Y360 V361 S363 K371 E379F342-W373 HydrophobicContact CB-CD2 3.77Å; F342-W373 HydrophobicContact CB-CE3 3.77Å; F342-W373 HydrophobicContact CB-CG 4.31Å; F342-W373 HydrophobicContact CB-CH2 4.32Å; F342-W373 HydrophobicContact CB-CZ2 4.29Å; F342-W373 HydrophobicContact CB-CZ3 4.05Å; F342-W373 HydrophobicContact CD1-CB 3.58Å; F342-W373 AromaticContact CD1-CD2 3.78Å; F342-W373 HydrophobicContact CD1-CD2 3.78Å; F342-W373 AromaticContact CD1-CE3 3.66Å; F342-W373 HydrophobicContact CD1-CE3 3.66Å; F342-W373 AromaticContact CD1-CG 3.77Å; F342-W373 HydrophobicContact CD1-CG 3.77Å; F342-W373 HydrophobicContact CE1-CB 3.55Å; F342-W373 HydrophobicContact CE1-CG 4.22Å; F342-W373 HydrophobicContact CG-CB 4.28Å; F342-W373 HydrophobicContact CG-CD2 4Å; F342-W373 HydrophobicContact CG-CE3 4.11Å; F342-W373 HydrophobicContact CG-CG 4.08Å; F342-W373 HydrophobicContact CZ-CB 4.24Å; R343-W373 VanDerWaalsContact C-CH2 3.48Å; R343-W373 WeakPolarHBondContact O-CH2 3.44Å; R343-W373 WeakPolarHBondContact O-CZ3 3.49Å; H345-W373 AromaticContact CD2-CZ2 3.94Å; Y360-W373 CarbonylContact C-O 3.56Å; Y360-W373 WeakPolarHBondContact CA-O 3.39Å; V361-W373 HydrophobicContact CB-CB 4.29Å; V361-W373 PolarHBondContact N-O 2.92Å; V361-W373 PolarHBondContact O-N 2.82Å; S363-W373 PolarHBondContact OG-NE1 3.01Å; K371-W373 HydrophobicContact CB-CZ2 3.77Å; K371-W373 HydrophobicContact CD-CH2 3.85Å; K371-W373 HydrophobicContact CD-CZ2 3.39Å; K371-W373 HydrophobicContact CG-CZ2 4.21Å; W373-E379 WeakPolarHBondContact CA-O 3.27Å
374S91.7Very high88.8Confident16 Ų1640.7 Ų40.711%0.11221%0.214CC..EExtended strand (participates in β ladder)trans-85.3126.3168.2179.60000110R376 T377 G378 E379S374-R376 PolarHBondContact O-N 2.79Å; S374-T377 WeakPolarHBondContact CB-OG1 3.25Å; S374-G378 WeakPolarHBondContact O-CA 3.32Å; S374-G378 PolarHBondContact O-N 3.38Å; S374-E379 PolarHBondContact N-O 2.91Å
375T88.6Confident88.2Confident24 Ų2446 Ų4615%0.14723%0.234CC..THydrogen-bonded Turntrans-66.9-26.4178.158.20000112.5I330 K340 F354 D358 H359 V361I330-T375 HydrophobicContact CD1-CG2 3.99Å; K340-T375 WeakPolarHBondContact CE-O 3.42Å; F354-T375 HydrophobicContact CE1-CG2 4.38Å; D358-T375 VanDerWaalsContact O-CG2 3.29Å; D358-T375 WeakPolarHBondContact O-CG2 3.3Å; D358-T375 PolarHBondContact O-OG1 3.39Å; H359-T375 VanDerWaalsContact C-OG1 3.27Å; H359-T375 WeakPolarHBondContact CA-OG1 3.5Å; H359-T375 PolarHBondContact O-N 2.99Å; H359-T375 PolarHBondContact O-OG1 3.46Å; V361-T375 HydrophobicContact CB-CG2 4.41Å; V361-T375 HydrophobicContact CG2-CG2 3.57Å
376R86.6Confident87Confident210 Ų21053.3 Ų53.379%0.79226%0.262SS*.THydrogen-bonded Turntrans-73.7-51.9178.1-175.317264164.8-0.7112.4K340 S374K340-R376 VanDerWaalsContact CE-O 3.24Å; K340-R376 WeakPolarHBondContact CE-O 3.46Å; K340-R376 PolarHBondContact NZ-O 2.73Å; S374-R376 PolarHBondContact O-N 2.79Å
377T87.3Confident85.9Confident67 Ų6751.7 Ų51.741%0.41125%0.251SS..THydrogen-bonded Turntrans-83.4-41.8-176.962.40000111.2K340 S374 E379K340-T377 PolarHBondContact NZ-O 3.16Å; K340-T377 VanDerWaalsContact NZ-O 3.16Å; S374-T377 WeakPolarHBondContact CB-OG1 3.25Å; T377-E379 PolarHBondContact OG1-N 2.83Å
378G84.3Confident84.5Confident14 Ų1452.6 Ų52.614%0.14427%0.267CS..  trans93.22.7-168.700000113.2F342 S374F342-G378 WeakPolarHBondContact CD1-O 3.34Å; S374-G378 WeakPolarHBondContact O-CA 3.32Å; S374-G378 PolarHBondContact O-N 3.38Å
379E88.9Confident83.1Confident137 Ų13755.7 Ų55.764%0.6430%0.299SS*.  trans-96.1152.6-175.1-63.1177.1162.800111.6W373 S374 T377 V381W373-E379 WeakPolarHBondContact CA-O 3.27Å; S374-E379 PolarHBondContact N-O 2.91Å; T377-E379 PolarHBondContact OG1-N 2.83Å; E379-V381 PolarHBondContact O-N 2.98Å
380S89.8Confident81.8Confident55 Ų5559.8 Ų59.839%0.38532%0.324SS..EExtended strand (participates in β ladder)trans-75.1115.4172.959.40000109.4L372L372-S380 CarbonylContact O-C 3.51Å; L372-S380 WeakPolarHBondContact O-CA 3.31Å
381V89.6Confident80.4Confident73 Ų7364.3 Ų64.344%0.44235%0.348SS..EExtended strand (participates in β ladder)trans-73.9-48.6175.5-179.30000109.9Y360 L372 E379Y360-V381 HydrophobicContact CD1-CG2 4.38Å; Y360-V381 HydrophobicContact CE1-CG2 4.14Å; L372-V381 HydrophobicContact CD2-CB 4.32Å; L372-V381 HydrophobicContact CD2-CG1 4.39Å; L372-V381 HydrophobicContact CG-CB 4.45Å; L372-V381 PolarHBondContact O-N 2.88Å; E379-V381 PolarHBondContact O-N 2.98Å
382N88.1Confident79Confident73 Ų7363.5 Ų63.539%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-140.9152.4-178.8-76.6-35.6000111K371 L372 Y384K371-N382 WeakPolarHBondContact CA-O 3.35Å; L372-N382 HydrophobicContact CB-CB 4.25Å; L372-N382 PolarHBondContact N-O 3.28Å; L372-N382 PolarHBondContact O-N 3.17Å; N382-Y384 HydrophobicContact CB-CE1 3.77Å; N382-Y384 HydrophobicContact CB-CE2 4.3Å; N382-Y384 WeakPolarHBondContact CB-OH 3.24Å; N382-Y384 PolarHBondContact ND2-OH 3.25Å
383T88.7Confident77.4Confident57 Ų5766 Ų6635%0.3537%0.366SS..EExtended strand (participates in β ladder)trans-127.7122.2171-57.60000108.9I370 K371 R385I370-T383 CarbonylContact O-C 3.58Å; I370-T383 WeakPolarHBondContact O-CA 3.35Å; K371-T383 HydrophobicContact CG-CG2 3.93Å; K371-T383 PolarHBondContact NZ-OG1 3.26Å; T383-R385 HydrophobicContact CG2-CG 4.28Å
384Y85.3Confident76.2Confident22 Ų2273.5 Ų73.59%0.08641%0.406CS..EExtended strand (participates in β ladder)trans-104.3118.9177.6-44.6-61.4000109I370 L372 N382 M424 Q425 G426I370-Y384 HydrophobicContact CB-CD2 4.08Å; I370-Y384 HydrophobicContact CG2-CD2 4Å; I370-Y384 PolarHBondContact N-O 2.62Å; I370-Y384 PolarHBondContact O-N 3.16Å; L372-Y384 HydrophobicContact CB-CE2 4.29Å; N382-Y384 HydrophobicContact CB-CE1 3.77Å; N382-Y384 HydrophobicContact CB-CE2 4.3Å; N382-Y384 WeakPolarHBondContact CB-OH 3.24Å; N382-Y384 PolarHBondContact ND2-OH 3.25Å; Y384-M424 PolarHBondContact OH-O 2.87Å; Y384-Q425 VanDerWaalsContact CE1-C 3.44Å; Y384-Q425 WeakPolarHBondContact CE1-O 3.45Å; Y384-G426 VanDerWaalsContact CE1-CA 3.47Å
385R79.1Confident75.4Confident111 Ų11174.8 Ų74.842%0.41941%0.412SS..  trans-116.20.9173.8-67.7-172.7-174-118.88.9112.8E346 T383 L392E346-R385 IonicContact OE1-NH2 2.98Å; E346-R385 IonicContact OE2-CZ 3.57Å; E346-R385 IonicContact OE2-NH1 3.58Å; E346-R385 IonicContact OE2-NH2 3.24Å; E346-R385 PolarHBondContact OE2-NH2 2.85Å; T383-R385 HydrophobicContact CG2-CG 4.28Å; R385-L392 WeakPolarHBondContact O-CB 2.88Å; R385-L392 PolarHBondContact O-N 3.23Å
386R65.6Low75.1Confident154 Ų15474.9 Ų74.958%0.58141%0.414SS*.EExtended strand (participates in β ladder)trans-131.1134.5177.6-75.7-168.4-177.7-171.81109.9V390 L391R386-V390 WeakPolarHBondContact CA-O 3.32Å; R386-L391 HydrophobicContact CG-CD2 3.77Å; R386-L391 HydrophobicContact CG-CG 4.22Å; R386-L391 VanDerWaalsContact NE-CD2 3.33Å
387L64.2Low75Confident8 Ų864.9 Ų64.94%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-132.9123171.9-70.1176.4000108I370 G389 V390 L392 V412 I422 T428I370-L387 HydrophobicContact CD1-CD1 3.88Å; L387-G389 VanDerWaalsContact C-N 3.26Å; L387-G389 PolarHBondContact O-N 2.9Å; L387-V390 PolarHBondContact N-O 2.9Å; L387-V390 PolarHBondContact O-N 3.34Å; L387-V390 VanDerWaalsContact O-N 3.16Å; L387-L392 HydrophobicContact CB-CD1 4.36Å; L387-L392 HydrophobicContact CB-CD2 4.38Å; L387-L392 HydrophobicContact CB-CG 4.49Å; L387-L392 HydrophobicContact CD1-CD1 3.68Å; L387-L392 HydrophobicContact CD1-CD2 4.22Å; L387-L392 HydrophobicContact CD1-CG 4.45Å; L387-L392 HydrophobicContact CG-CD1 3.75Å; L387-L392 HydrophobicContact CG-CG 4.4Å; L387-V412 HydrophobicContact CD1-CB 4.29Å; L387-V412 HydrophobicContact CD1-CG1 3.97Å; L387-I422 HydrophobicContact CD1-CG2 4.48Å; L387-I422 HydrophobicContact CD2-CB 4.43Å; L387-I422 HydrophobicContact CD2-CG2 3.22Å; L387-I422 HydrophobicContact CG-CG2 4.42Å; L387-T428 HydrophobicContact CB-CG2 3.88Å; L387-T428 HydrophobicContact CD2-CG2 3.8Å; L387-T428 HydrophobicContact CG-CG2 4.47Å
388G55.7Low74.8Confident50 Ų5064.2 Ų64.252%0.51537%0.37SS..THydrogen-bonded Turntrans66.724.9175.400000114.2V390 T428G388-V390 VanDerWaalsContact C-N 3.26Å; G388-V390 PolarHBondContact O-N 3.33Å; G388-T428 WeakPolarHBondContact CA-OG1 3.34Å; G388-T428 PolarHBondContact N-OG1 2.78Å
389G54.8Low74.9Confident65 Ų6564.7 Ų64.767%0.6737%0.372SS*.THydrogen-bonded Turntrans84.6-10.7-176.400000114.8L387L387-G389 VanDerWaalsContact C-N 3.26Å; L387-G389 PolarHBondContact O-N 2.9Å
390V60.3Low74.7Confident86 Ų8658.9 Ų58.952%0.52135%0.345SS..EExtended strand (participates in β ladder)trans-85.5131.1175.7-174.20000109.3R386 L387 G388 L392 L395R386-V390 WeakPolarHBondContact CA-O 3.32Å; L387-V390 PolarHBondContact N-O 2.9Å; L387-V390 PolarHBondContact O-N 3.34Å; L387-V390 VanDerWaalsContact O-N 3.16Å; G388-V390 VanDerWaalsContact C-N 3.26Å; G388-V390 PolarHBondContact O-N 3.33Å; V390-L392 PolarHBondContact O-N 2.85Å; V390-L395 HydrophobicContact CG1-CD1 4.37Å
391L62Low74.6Confident96 Ų9658 Ų5850%0.50334%0.336SS..EExtended strand (participates in β ladder)trans-67.9122.5167.1-82.6161.7000107.9R386 A393R386-L391 HydrophobicContact CG-CD2 3.77Å; R386-L391 HydrophobicContact CG-CG 4.22Å; R386-L391 VanDerWaalsContact NE-CD2 3.33Å; L391-A393 HydrophobicContact CB-CB 4.47Å; L391-A393 PolarHBondContact O-N 3.03Å
392L63.9Low74.4Confident3 Ų357.6 Ų57.62%0.01633%0.334CS..  trans-74.52.9174.6-65.3170.2000112.7G368 R385 L387 V390 D394 L395G368-L392 WeakPolarHBondContact O-CB 3.47Å; G368-L392 WeakPolarHBondContact O-CD1 3.49Å; R385-L392 WeakPolarHBondContact O-CB 2.88Å; R385-L392 PolarHBondContact O-N 3.23Å; L387-L392 HydrophobicContact CB-CD1 4.36Å; L387-L392 HydrophobicContact CB-CD2 4.38Å; L387-L392 HydrophobicContact CB-CG 4.49Å; L387-L392 HydrophobicContact CD1-CD1 3.68Å; L387-L392 HydrophobicContact CD1-CD2 4.22Å; L387-L392 HydrophobicContact CD1-CG 4.45Å; L387-L392 HydrophobicContact CG-CD1 3.75Å; L387-L392 HydrophobicContact CG-CG 4.4Å; V390-L392 PolarHBondContact O-N 2.85Å; L392-D394 PolarHBondContact O-N 3.04Å; L392-L395 HydrophobicContact CD2-CB 4.44Å; L392-L395 HydrophobicContact CD2-CD1 4.47Å; L392-L395 PolarHBondContact O-N 2.97Å
393A58.8Low74.1Confident61 Ų6154.4 Ų54.450%0.50432%0.317SS..THydrogen-bonded Turntrans-55.6119172.100000107.6L391L391-A393 HydrophobicContact CB-CB 4.47Å; L391-A393 PolarHBondContact O-N 3.03Å
394D66.5Low73.6Confident161 Ų16154.4 Ų54.486%0.86132%0.319SS*.THydrogen-bonded Turntrans83.41.4-176.8-46.1-32.1000117.1L392L392-D394 PolarHBondContact O-N 3.04Å
395L74.8Confident73.2Confident44 Ų4457.6 Ų57.623%0.2333%0.334CS..  trans-106.9106175.5-68.6170.9000111.5G368 V390 L392 I397 K415G368-L395 WeakPolarHBondContact CA-O 3.37Å; V390-L395 HydrophobicContact CG1-CD1 4.37Å; L392-L395 HydrophobicContact CD2-CB 4.44Å; L392-L395 HydrophobicContact CD2-CD1 4.47Å; L392-L395 PolarHBondContact O-N 2.97Å; L395-I397 PolarHBondContact O-N 3.48Å; L395-K415 VanDerWaalsContact CD2-O 3.25Å; L395-K415 WeakPolarHBondContact CD2-O 3.46Å
396S82.8Confident73.3Confident26 Ų2655.7 Ų55.718%0.18233%0.332CS..  trans-66.5129179.261.40000111.7C366 L398 N414 K415C366-S396 WeakPolarHBondContact O-CA 3.29Å; S396-L398 PolarHBondContact O-N 2.97Å; S396-N414 CarbonylContact O-C 3.55Å; S396-N414 VanDerWaalsContact O-CA 3.3Å; S396-N414 WeakPolarHBondContact O-CA 3.4Å; S396-K415 PolarHBondContact O-N 2.94Å; S396-K415 WeakPolarHBondContact OG-CB 3.38Å
397I84.4Confident73.9Confident0 Ų051.3 Ų51.30%032%0.323CS..EExtended strand (participates in β ladder)trans-75.7124.7171.2-62.2147.5000108.2N350 A365 G368 S369 I370 L395 M400 V412N350-I397 VanDerWaalsContact CB-O 3.32Å; N350-I397 WeakPolarHBondContact CB-O 3.43Å; N350-I397 PolarHBondContact ND2-O 3.32Å; A365-I397 PolarHBondContact O-N 2.9Å; G368-I397 VanDerWaalsContact C-CD1 3.46Å; S369-I397 VanDerWaalsContact C-CD1 3.47Å; S369-I397 VanDerWaalsContact O-CD1 3.24Å; S369-I397 WeakPolarHBondContact O-CD1 3.22Å; I370-I397 HydrophobicContact CB-CD1 4.48Å; I370-I397 HydrophobicContact CD1-CD1 4.32Å; I370-I397 HydrophobicContact CG1-CD1 3.38Å; I370-I397 HydrophobicContact CG1-CG1 4.28Å; L395-I397 PolarHBondContact O-N 3.48Å; I397-M400 HydrophobicContact CG2-CG 4.09Å; I397-V412 HydrophobicContact CG2-CG1 4.15Å
398L84Confident74.9Confident53 Ų5355.5 Ų55.528%0.27735%0.346SS..EExtended strand (participates in β ladder)trans-97.2-48.3-175.4-65.8169.8000110.9S396 C413 K415 F442S396-L398 PolarHBondContact O-N 2.97Å; L398-C413 PolarHBondContact N-O 3.22Å; L398-K415 HydrophobicContact CD1-CB 3.98Å; L398-K415 HydrophobicContact CD1-CG 4.45Å; L398-K415 HydrophobicContact CG-CB 4.35Å; L398-F442 WeakPolarHBondContact CD1-O 3.43Å
399A85.3Confident76.5Confident23 Ų2354.6 Ų54.619%0.1933%0.328CS..EExtended strand (participates in β ladder)trans-145147.3-177.100000111.6C413A399-C413 HydrophobicContact CB-CB 4.39Å; A399-C413 PolarHBondContact N-O 3.11Å; A399-C413 PolarHBondContact O-N 2.85Å
400M86.1Confident78.1Confident16 Ų1651.8 Ų51.88%0.07930%0.298CS..EExtended strand (participates in β ladder)trans-126132.6169.6-68.517757.500107.7C351 M353 L362 I370 I397 V410 I411 V412C351-M400 VanDerWaalsContact SG-CG 3.54Å; M353-M400 HydrophobicContact CE-CB 3.55Å; M353-M400 WeakPolarHBondContact CE-O 3.4Å; L362-M400 HydrophobicContact CB-CE 3.5Å; L362-M400 HydrophobicContact CD1-CE 3.99Å; L362-M400 HydrophobicContact CD2-CE 4.27Å; L362-M400 HydrophobicContact CG-CE 4.15Å; I370-M400 HydrophobicContact CG2-CE 4.01Å; I370-M400 HydrophobicContact CG2-SD 4.13Å; I397-M400 HydrophobicContact CG2-CG 4.09Å; M400-V410 HydrophobicContact CB-CG1 4.27Å; M400-V410 HydrophobicContact CE-CG1 3.87Å; M400-I411 CarbonylContact C-O 3.53Å; M400-I411 VanDerWaalsContact CA-O 3.3Å; M400-I411 WeakPolarHBondContact CA-O 3.42Å; M400-V412 HydrophobicContact CG-CG2 4.36Å
401I86.1Confident79.5Confident37 Ų3747.7 Ų47.719%0.1927%0.273CS..EExtended strand (participates in β ladder)trans-134.3131.7-177.5-51.6-177.1000109.9M353 I411 C445 V447M353-I401 VanDerWaalsContact CE-N 3.32Å; I401-I411 PolarHBondContact N-O 2.79Å; I401-I411 PolarHBondContact O-N 3.32Å; I401-C445 HydrophobicContact CD1-CB 4.47Å; I401-C445 WeakPolarHBondContact CD1-O 3.3Å; I401-C445 WeakPolarHBondContact CD1-SG 2.92Å; I401-V447 HydrophobicContact CB-CG2 4.28Å; I401-V447 HydrophobicContact CG2-CB 4.41Å; I401-V447 HydrophobicContact CG2-CG2 3.79Å
402P85.5Confident80.8Confident63 Ų6343.1 Ų43.141%0.40925%0.249SC..EExtended strand (participates in β ladder)trans-65.1139.7174.828.5-34.5000110
403F82.4Confident82Confident6 Ų643 Ų433%0.02625%0.248CC..  trans-81.4122.6176.4-168-132.2000109.9K405 N406 H409 I411 V447 G451 T468F403-K405 VanDerWaalsContact C-N 3.31Å; F403-K405 HydrophobicContact CD1-CB 4.06Å; F403-K405 HydrophobicContact CE1-CB 3.64Å; F403-K405 HydrophobicContact CE1-CD 4.19Å; F403-K405 HydrophobicContact CE1-CG 4.19Å; F403-K405 HydrophobicContact CZ-CB 4.09Å; F403-K405 HydrophobicContact CZ-CD 3.94Å; F403-K405 HydrophobicContact CZ-CG 4.12Å; F403-K405 PolarHBondContact O-N 2.83Å; F403-N406 HydrophobicContact CD1-CB 4.21Å; F403-N406 CarbonylContact O-C 3.57Å; F403-N406 PolarHBondContact O-N 3.16Å; F403-H409 HydrophobicContact CB-CB 3.82Å; F403-H409 VanDerWaalsContact CB-O 3.29Å; F403-H409 WeakPolarHBondContact CB-O 3.5Å; F403-H409 HydrophobicContact CD1-CB 4.05Å; F403-H409 HydrophobicContact CG-CB 4.36Å; F403-H409 PolarHBondContact N-O 2.83Å; F403-I411 HydrophobicContact CB-CG1 4.4Å; F403-I411 HydrophobicContact CD2-CD1 3.83Å; F403-I411 HydrophobicContact CD2-CG1 4.24Å; F403-I411 HydrophobicContact CE2-CD1 4.39Å; F403-V447 HydrophobicContact CD2-CG1 4.39Å; F403-G451 WeakPolarHBondContact CE2-O 3.41Å; F403-T468 HydrophobicContact CE2-CG2 3.95Å; F403-T468 HydrophobicContact CZ-CG2 4.08Å
404S77.3Confident83.3Confident58 Ų5840.4 Ų40.441%0.40623%0.226SC..SBendtrans-65-31.4-17443.70000113.6S448 P449 H450 G451S404-S448 PolarHBondContact OG-O 3.39Å; S404-P449 WeakPolarHBondContact CB-O 3.05Å; S404-P449 PolarHBondContact OG-O 3.18Å; S404-H450 VanDerWaalsContact OG-C 3.25Å; S404-G451 WeakPolarHBondContact OG-CA 3.43Å; S404-G451 PolarHBondContact OG-N 3.06Å
405K77.2Confident84.2Confident88 Ų8836.9 Ų36.938%0.38320%0.203SC..SBendtrans-72.6-40.4178.1-64.8-174.9175.31700113.6F403 H450 G451 D452 T468F403-K405 VanDerWaalsContact C-N 3.31Å; F403-K405 HydrophobicContact CD1-CB 4.06Å; F403-K405 HydrophobicContact CE1-CB 3.64Å; F403-K405 HydrophobicContact CE1-CD 4.19Å; F403-K405 HydrophobicContact CE1-CG 4.19Å; F403-K405 HydrophobicContact CZ-CB 4.09Å; F403-K405 HydrophobicContact CZ-CD 3.94Å; F403-K405 HydrophobicContact CZ-CG 4.12Å; F403-K405 PolarHBondContact O-N 2.83Å; K405-H450 VanDerWaalsContact CE-O 3.31Å; K405-H450 WeakPolarHBondContact CE-O 3.39Å; K405-H450 WeakPolarHBondContact CG-O 3.44Å; K405-G451 WeakPolarHBondContact CE-O 3.3Å; K405-D452 WeakPolarHBondContact CE-OD1 2.99Å; K405-D452 IonicContact NZ-OD1 3.52Å; K405-D452 PolarHBondContact NZ-OD1 2.99Å; K405-T468 PolarHBondContact NZ-OG1 3.06Å
406N82.4Confident84.7Confident72 Ų7235.5 Ų35.539%0.38520%0.197SC..  trans-128.8117.2-176.7-74.8-4.3000110.3F403 D408 H409F403-N406 HydrophobicContact CD1-CB 4.21Å; F403-N406 CarbonylContact O-C 3.57Å; F403-N406 PolarHBondContact O-N 3.16Å; N406-D408 PolarHBondContact O-N 3.26Å; N406-H409 HydrophobicContact CB-CB 4.07Å; N406-H409 PolarHBondContact O-N 3.43Å; N406-H409 VanDerWaalsContact O-N 3.09Å
407P77.4Confident84.9Confident61 Ų6135.7 Ų35.740%0.39620%0.199SC..THydrogen-bonded Turntrans-64.6-25.1-175.927.2-35.6000113.7Q356 H409Q356-P407 HydrophobicContact CB-CB 3.95Å; Q356-P407 HydrophobicContact CG-CB 3.46Å; Q356-P407 VanDerWaalsContact CG-CB 3.46Å; P407-H409 VanDerWaalsContact C-N 3.29Å
408D84.6Confident85Confident97 Ų9737.7 Ų37.752%0.51921%0.211SC..THydrogen-bonded Turntrans-84.6-4.1-179.6-62.9-24.6000113.4N406 N423 M424N406-D408 PolarHBondContact O-N 3.26Å; D408-N423 CarbonylContact O-C 3.58Å; D408-N423 WeakPolarHBondContact O-CA 3.33Å; D408-M424 HydrophobicContact CB-CG 4.39Å; D408-M424 WeakPolarHBondContact O-CG 3.17Å; D408-M424 PolarHBondContact O-N 2.8Å
409H89.4Confident85.2Confident31 Ų3135.2 Ų35.214%0.14420%0.198CC..EExtended strand (participates in β ladder)trans-105136.5-177.8-70.3-153.1000109.9F403 N406 P407 I421 I422F403-H409 HydrophobicContact CB-CB 3.82Å; F403-H409 VanDerWaalsContact CB-O 3.29Å; F403-H409 WeakPolarHBondContact CB-O 3.5Å; F403-H409 HydrophobicContact CD1-CB 4.05Å; F403-H409 HydrophobicContact CG-CB 4.36Å; F403-H409 PolarHBondContact N-O 2.83Å; N406-H409 HydrophobicContact CB-CB 4.07Å; N406-H409 PolarHBondContact O-N 3.43Å; N406-H409 VanDerWaalsContact O-N 3.09Å; P407-H409 VanDerWaalsContact C-N 3.29Å; H409-I421 HydrophobicContact CB-CG2 4.09Å; H409-I422 CarbonylContact C-O 3.56Å; H409-I422 VanDerWaalsContact CA-O 3.27Å; H409-I422 WeakPolarHBondContact CA-O 3.17Å
410V89.8Confident85.4Confident5 Ų534.5 Ų34.53%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-127.2133.2179-179.70000108.5M353 L362 M400 I422 M424M353-V410 HydrophobicContact CE-CG1 4.11Å; M353-V410 HydrophobicContact SD-CG1 3.93Å; M353-V410 HydrophobicContact SD-CG2 4.23Å; L362-V410 HydrophobicContact CD1-CB 4.44Å; L362-V410 HydrophobicContact CD1-CG1 4.47Å; L362-V410 HydrophobicContact CD1-CG2 3.71Å; M400-V410 HydrophobicContact CB-CG1 4.27Å; M400-V410 HydrophobicContact CE-CG1 3.87Å; V410-I422 HydrophobicContact CB-CG1 4.14Å; V410-I422 PolarHBondContact N-O 2.94Å; V410-I422 VanDerWaalsContact O-CG1 3.27Å; V410-I422 WeakPolarHBondContact O-CG1 3.49Å; V410-I422 PolarHBondContact O-N 3.44Å; V410-M424 HydrophobicContact CG2-SD 4.12Å
411I89.8Confident85.6Confident0 Ų033.9 Ų33.90%019%0.188CC..EExtended strand (participates in β ladder)trans-87.9127.2173.2-52.7-163.3000107.8M400 I401 F403 V419 T420 I421 V447 I454M400-I411 CarbonylContact C-O 3.53Å; M400-I411 VanDerWaalsContact CA-O 3.3Å; M400-I411 WeakPolarHBondContact CA-O 3.42Å; I401-I411 PolarHBondContact N-O 2.79Å; I401-I411 PolarHBondContact O-N 3.32Å; F403-I411 HydrophobicContact CB-CG1 4.4Å; F403-I411 HydrophobicContact CD2-CD1 3.83Å; F403-I411 HydrophobicContact CD2-CG1 4.24Å; F403-I411 HydrophobicContact CE2-CD1 4.39Å; I411-V419 HydrophobicContact CG2-CG1 3.33Å; I411-T420 WeakPolarHBondContact CA-O 3.07Å; I411-I421 HydrophobicContact CG1-CG1 4.25Å; I411-V447 HydrophobicContact CD1-CG2 3.5Å; I411-V447 VanDerWaalsContact CD1-CG2 3.5Å; I411-V447 HydrophobicContact CG1-CG2 4.41Å; I411-I454 HydrophobicContact CD1-CD1 3.5Å; I411-I454 VanDerWaalsContact CD1-CD1 3.5Å; I411-I454 HydrophobicContact CD1-CG1 3.63Å; I411-I454 HydrophobicContact CD1-CG2 4.47Å
412V89.4Confident85.8Confident0 Ų032.2 Ų32.20%018%0.179CC..EExtended strand (participates in β ladder)trans-113.5121.6176.9179.20000108I370 L387 I397 M400 T420 I422I370-V412 HydrophobicContact CD1-CB 4.33Å; I370-V412 HydrophobicContact CD1-CG1 3.81Å; I370-V412 HydrophobicContact CD1-CG2 3.6Å; L387-V412 HydrophobicContact CD1-CB 4.29Å; L387-V412 HydrophobicContact CD1-CG1 3.97Å; I397-V412 HydrophobicContact CG2-CG1 4.15Å; M400-V412 HydrophobicContact CG-CG2 4.36Å; V412-T420 PolarHBondContact N-O 3.3Å; V412-T420 PolarHBondContact O-N 3.26Å; V412-I422 HydrophobicContact CG2-CD1 3.58Å; V412-I422 HydrophobicContact CG2-CG1 3.77Å
413C88.2Confident86Confident0 Ų030.4 Ų30.40%017%0.166CC..EExtended strand (participates in β ladder)trans-105.4121.1167.9-175.90000108.5L398 A399 V419 C445L398-C413 PolarHBondContact N-O 3.22Å; A399-C413 HydrophobicContact CB-CB 4.39Å; A399-C413 PolarHBondContact N-O 3.11Å; A399-C413 PolarHBondContact O-N 2.85Å; C413-V419 HydrophobicContact CB-CG2 4.45Å; C413-C445 HydrophobicContact CB-CB 3.94Å; C413-C445 WeakPolarHBondContact CB-SG 3.21Å
414N87.2Confident86.1Confident8 Ų831.9 Ų31.94%0.04317%0.174CC..EExtended strand (participates in β ladder)trans-109.4169.5170.660.2-5.3000109S396 S416 V418S396-N414 CarbonylContact O-C 3.55Å; S396-N414 VanDerWaalsContact O-CA 3.3Å; S396-N414 WeakPolarHBondContact O-CA 3.4Å; N414-S416 PolarHBondContact O-N 2.87Å; N414-S416 WeakPolarHBondContact OD1-CB 3.5Å; N414-S416 PolarHBondContact OD1-OG 3.01Å; N414-V418 PolarHBondContact OD1-O 2.75Å
415K84.7Confident86.4Confident86 Ų8635.5 Ų35.537%0.37418%0.184SC..SBendtrans-72.768173.4-166175.6-179.1167.60110.5L395 S396 L398 D441 E459L395-K415 VanDerWaalsContact CD2-O 3.25Å; L395-K415 WeakPolarHBondContact CD2-O 3.46Å; S396-K415 PolarHBondContact O-N 2.94Å; S396-K415 WeakPolarHBondContact OG-CB 3.38Å; L398-K415 HydrophobicContact CD1-CB 3.98Å; L398-K415 HydrophobicContact CD1-CG 4.45Å; L398-K415 HydrophobicContact CG-CB 4.35Å; K415-D441 HydrophobicContact CG-CB 4.31Å; K415-E459 WeakPolarHBondContact CE-OE1 3.37Å; K415-E459 IonicContact NZ-OE1 3.68Å; K415-E459 PolarHBondContact NZ-OE1 3.31Å
416S85.6Confident86.5Confident16 Ų1631.8 Ų31.811%0.11217%0.171CC..SBendtrans-148.8169.2176.383.90000109.5N414 V418 D441 F442N414-S416 PolarHBondContact O-N 2.87Å; N414-S416 WeakPolarHBondContact OD1-CB 3.5Å; N414-S416 PolarHBondContact OD1-OG 3.01Å; S416-V418 PolarHBondContact O-N 3.47Å; S416-V418 PolarHBondContact OG-N 2.86Å; S416-V418 PolarHBondContact OG-O 2.9Å; S416-D441 WeakPolarHBondContact CA-OD1 3.35Å; S416-F442 WeakPolarHBondContact O-CD2 3.45Å; S416-F442 PolarHBondContact O-N 2.96Å
417S85.6Confident86.7Confident30 Ų3033.9 Ų33.921%0.2118%0.179CC..SBendtrans-77.412.7174.5600000114.5A433 S434 G440 D441 F442S417-A433 WeakPolarHBondContact O-CA 3.38Å; S417-S434 WeakPolarHBondContact CB-OG 3.15Å; S417-S434 PolarHBondContact O-N 3.07Å; S417-G440 WeakPolarHBondContact CA-O 3.15Å; S417-G440 WeakPolarHBondContact CB-O 3.36Å; S417-D441 PolarHBondContact N-OD1 2.87Å; S417-F442 VanDerWaalsContact O-CE2 3.23Å; S417-F442 WeakPolarHBondContact O-CE2 3.5Å
418V87.9Confident87Confident42 Ų4233.5 Ų33.526%0.25518%0.175SC..EExtended strand (participates in β ladder)trans-128128.2-176.9-172.70000111.3N414 S416 T420 L432 A433N414-V418 PolarHBondContact OD1-O 2.75Å; S416-V418 PolarHBondContact O-N 3.47Å; S416-V418 PolarHBondContact OG-N 2.86Å; S416-V418 PolarHBondContact OG-O 2.9Å; V418-T420 HydrophobicContact CG1-CG2 4.15Å; V418-L432 CarbonylContact C-O 3.6Å; V418-L432 WeakPolarHBondContact CA-O 3.47Å; V418-A433 HydrophobicContact CG2-CB 3.95Å
419V88.6Confident87.1Confident0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-100.4136167.3174.10000109.6I411 C413 S431 L432 F442 C456I411-V419 HydrophobicContact CG2-CG1 3.33Å; C413-V419 HydrophobicContact CB-CG2 4.45Å; V419-S431 CarbonylContact O-C 3.58Å; V419-S431 WeakPolarHBondContact O-CA 3.08Å; V419-L432 PolarHBondContact N-O 2.87Å; V419-L432 PolarHBondContact O-N 3.19Å; V419-F442 HydrophobicContact CB-CE2 4.48Å; V419-F442 HydrophobicContact CG2-CD2 3.45Å; V419-F442 VanDerWaalsContact CG2-CD2 3.45Å; V419-F442 HydrophobicContact CG2-CE2 3.59Å; V419-F442 HydrophobicContact CG2-CG 4.31Å; V419-C456 HydrophobicContact CG2-CB 4.5Å; V419-C456 WeakPolarHBondContact CG2-SG 3.28Å
420T89.4Confident87Confident8 Ų835.4 Ų35.45%0.04918%0.181CC..EExtended strand (participates in β ladder)trans-118141-177.158.80000111.2I411 V412 V418 R430I411-T420 WeakPolarHBondContact CA-O 3.07Å; V412-T420 PolarHBondContact N-O 3.3Å; V412-T420 PolarHBondContact O-N 3.26Å; V418-T420 HydrophobicContact CG1-CG2 4.15Å; T420-R430 WeakPolarHBondContact CA-O 3.14Å
421I90Very high86.8Confident3 Ų339 Ų392%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-105122.2171.5-52-179.5000106.7H409 I411 V429 R430 I454H409-I421 HydrophobicContact CB-CG2 4.09Å; I411-I421 HydrophobicContact CG1-CG1 4.25Å; I421-V429 PolarHBondContact O-N 2.86Å; I421-R430 HydrophobicContact CB-CB 4.34Å; I421-R430 HydrophobicContact CD1-CB 4.25Å; I421-R430 HydrophobicContact CG1-CB 4.43Å; I421-R430 PolarHBondContact N-O 3.44Å; I421-R430 PolarHBondContact O-N 3.16Å; I421-I454 HydrophobicContact CD1-CD1 3.97Å
422I89.7Confident86.7Confident2 Ų239.2 Ų39.21%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-117.9154.2-177.859.7163.6000110.5I370 L387 H409 V410 V412 Q427 T428I370-I422 HydrophobicContact CD1-CD1 4.07Å; L387-I422 HydrophobicContact CD1-CG2 4.48Å; L387-I422 HydrophobicContact CD2-CB 4.43Å; L387-I422 HydrophobicContact CD2-CG2 3.22Å; L387-I422 HydrophobicContact CG-CG2 4.42Å; H409-I422 CarbonylContact C-O 3.56Å; H409-I422 VanDerWaalsContact CA-O 3.27Å; H409-I422 WeakPolarHBondContact CA-O 3.17Å; V410-I422 HydrophobicContact CB-CG1 4.14Å; V410-I422 PolarHBondContact N-O 2.94Å; V410-I422 VanDerWaalsContact O-CG1 3.27Å; V410-I422 WeakPolarHBondContact O-CG1 3.49Å; V410-I422 PolarHBondContact O-N 3.44Å; V412-I422 HydrophobicContact CG2-CD1 3.58Å; V412-I422 HydrophobicContact CG2-CG1 3.77Å; I422-Q427 VanDerWaalsContact CA-O 3.27Å; I422-Q427 WeakPolarHBondContact CA-O 3.28Å; I422-T428 HydrophobicContact CG2-CG2 3.88Å
423N89.3Confident86.5Confident26 Ų2641.8 Ų41.814%0.13923%0.228CC..EExtended strand (participates in β ladder)trans-86.6170.1165.267.211000111D408 Q425 G426 Q427 V429D408-N423 CarbonylContact O-C 3.58Å; D408-N423 WeakPolarHBondContact O-CA 3.33Å; N423-Q425 PolarHBondContact O-N 3.32Å; N423-Q425 WeakPolarHBondContact OD1-CA 3.34Å; N423-Q425 WeakPolarHBondContact OD1-CB 2.92Å; N423-Q425 PolarHBondContact OD1-N 2.8Å; N423-G426 PolarHBondContact O-N 3.21Å; N423-G426 PolarHBondContact OD1-N 2.9Å; N423-Q427 PolarHBondContact N-O 2.59Å; N423-Q427 PolarHBondContact ND2-OE1 3.4Å; N423-Q427 VanDerWaalsContact ND2-OE1 3.09Å; N423-Q427 WeakPolarHBondContact OD1-CB 3.21Å; N423-Q427 PolarHBondContact OD1-N 3.29Å; N423-Q427 PolarHBondContact OD1-O 3.49Å; N423-V429 HydrophobicContact CB-CG2 4.28Å
424M84.5Confident86.2Confident36 Ų3642.3 Ų42.318%0.17723%0.232CC..THydrogen-bonded Turntrans-61-9.8174-65.9-56.7-69.600114.4A355 L362 L372 Y384 D408 V410A355-M424 HydrophobicContact CB-CE 3.74Å; L362-M424 HydrophobicContact CD1-CE 3.8Å; L362-M424 HydrophobicContact CD1-SD 3.63Å; L362-M424 HydrophobicContact CG-CE 4.15Å; L372-M424 HydrophobicContact CD1-CE 3.45Å; L372-M424 VanDerWaalsContact CD1-CE 3.45Å; Y384-M424 PolarHBondContact OH-O 2.87Å; D408-M424 HydrophobicContact CB-CG 4.39Å; D408-M424 WeakPolarHBondContact O-CG 3.17Å; D408-M424 PolarHBondContact O-N 2.8Å; V410-M424 HydrophobicContact CG2-SD 4.12Å
425Q83.8Confident85.6Confident134 Ų13445.1 Ų45.163%0.62626%0.263SS*.THydrogen-bonded Turntrans-93.2-2.1174-59179.1-2.500112.5Y384 N423Y384-Q425 VanDerWaalsContact CE1-C 3.44Å; Y384-Q425 WeakPolarHBondContact CE1-O 3.45Å; N423-Q425 PolarHBondContact O-N 3.32Å; N423-Q425 WeakPolarHBondContact OD1-CA 3.34Å; N423-Q425 WeakPolarHBondContact OD1-CB 2.92Å; N423-Q425 PolarHBondContact OD1-N 2.8Å
426G80.1Confident85Confident11 Ų1146.6 Ų46.611%0.11327%0.266CS..SBendtrans819.4179.700000115.2Y384 N423Y384-G426 VanDerWaalsContact CE1-CA 3.47Å; N423-G426 PolarHBondContact O-N 3.21Å; N423-G426 PolarHBondContact OD1-N 2.9Å
427Q85.1Confident83.8Confident116 Ų11657.7 Ų57.754%0.54231%0.305SS..  trans-79.7133.3173.4-59.2171.3-1600109.3I422 N423 V429I422-Q427 VanDerWaalsContact CA-O 3.27Å; I422-Q427 WeakPolarHBondContact CA-O 3.28Å; N423-Q427 PolarHBondContact N-O 2.59Å; N423-Q427 PolarHBondContact ND2-OE1 3.4Å; N423-Q427 VanDerWaalsContact ND2-OE1 3.09Å; N423-Q427 WeakPolarHBondContact OD1-CB 3.21Å; N423-Q427 PolarHBondContact OD1-N 3.29Å; N423-Q427 PolarHBondContact OD1-O 3.49Å; Q427-V429 PolarHBondContact O-N 3.02Å
428T85.4Confident82.8Confident53 Ų5364.9 Ų64.933%0.32534%0.336SS..EExtended strand (participates in β ladder)trans-74.1114.4173.1460000110.3L387 G388 I422L387-T428 HydrophobicContact CB-CG2 3.88Å; L387-T428 HydrophobicContact CD2-CG2 3.8Å; L387-T428 HydrophobicContact CG-CG2 4.47Å; G388-T428 WeakPolarHBondContact CA-OG1 3.34Å; G388-T428 PolarHBondContact N-OG1 2.78Å; I422-T428 HydrophobicContact CG2-CG2 3.88Å
429V86.2Confident81.8Confident62 Ų6265 Ų6538%0.37635%0.346SS..EExtended strand (participates in β ladder)trans-77.4-45.7174.2-179.20000109.8I421 N423 Q427I421-V429 PolarHBondContact O-N 2.86Å; N423-V429 HydrophobicContact CB-CG2 4.28Å; Q427-V429 PolarHBondContact O-N 3.02Å
430R86Confident81Confident106 Ų10665 Ų6540%0.435%0.346SS..EExtended strand (participates in β ladder)trans-147.5154.5-179.1-83.3-172.7-86.2-1221.4111.4T420 I421T420-R430 WeakPolarHBondContact CA-O 3.14Å; I421-R430 HydrophobicContact CB-CB 4.34Å; I421-R430 HydrophobicContact CD1-CB 4.25Å; I421-R430 HydrophobicContact CG1-CB 4.43Å; I421-R430 PolarHBondContact N-O 3.44Å; I421-R430 PolarHBondContact O-N 3.16Å
431S87.5Confident80.7Confident79 Ų7967.2 Ų67.255%0.55236%0.358SS*.EExtended strand (participates in β ladder)trans-132.2138.8169.956.40000109.2V419V419-S431 CarbonylContact O-C 3.58Å; V419-S431 WeakPolarHBondContact O-CA 3.08Å
432L86.7Confident80.6Confident6 Ų667.1 Ų67.13%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-126.1117.3-176.8-64167.9000107.4V418 V419 I454 F466 A471V418-L432 CarbonylContact C-O 3.6Å; V418-L432 WeakPolarHBondContact CA-O 3.47Å; V419-L432 PolarHBondContact N-O 2.87Å; V419-L432 PolarHBondContact O-N 3.19Å; L432-I454 HydrophobicContact CD1-CD1 3.61Å; L432-F466 HydrophobicContact CB-CD1 3.96Å; L432-F466 HydrophobicContact CB-CE1 4.16Å; L432-F466 HydrophobicContact CB-CG 4.22Å; L432-F466 HydrophobicContact CD1-CB 3.91Å; L432-F466 HydrophobicContact CD1-CG 4.2Å; L432-F466 HydrophobicContact CD2-CD1 4.43Å; L432-A471 VanDerWaalsContact CD2-C 3.48Å; L432-A471 HydrophobicContact CD2-CB 4.18Å; L432-A471 WeakPolarHBondContact CD2-O 3.36Å
433A85.9Confident80.5Confident53 Ų5369.3 Ų69.344%0.43837%0.37SS..EExtended strand (participates in β ladder)trans-108.3142.4-177.800000110.6S417 V418 G435 F466S417-A433 WeakPolarHBondContact O-CA 3.38Å; V418-A433 HydrophobicContact CG2-CB 3.95Å; A433-G435 PolarHBondContact O-N 2.86Å; A433-F466 WeakPolarHBondContact O-CE1 3.08Å
434S81.6Confident80.4Confident11 Ų1168.8 Ų68.88%0.07737%0.368CS..  trans-66.4-21.7172.465.40000112.7S417 R436S417-S434 WeakPolarHBondContact CB-OG 3.15Å; S417-S434 PolarHBondContact O-N 3.07Å; S434-R436 PolarHBondContact O-N 2.94Å; S434-R436 PolarHBondContact OG-N 3.49Å
435G74.5Confident80.7Confident68 Ų6867.5 Ų67.570%0.70136%0.363SS*.  trans79.4-2.2-175.100000114.2A433A433-G435 PolarHBondContact O-N 2.86Å
436R72.7Confident81Confident117 Ų11761.6 Ų61.644%0.44234%0.336SS..  trans-83.8135.1174.2-66.3-157.1-179.2-175.1-0.9110.9S434 D460 Y464S434-R436 PolarHBondContact O-N 2.94Å; S434-R436 PolarHBondContact OG-N 3.49Å; R436-D460 IonicContact CZ-OD2 2.69Å; R436-D460 VanDerWaalsContact CZ-OD2 3.24Å; R436-D460 IonicContact NE-OD2 3.17Å; R436-D460 IonicContact NH1-OD2 3.56Å; R436-D460 PolarHBondContact NH1-OD2 2.98Å; R436-Y464 WeakPolarHBondContact CD-OH 2.93Å; R436-Y464 PolarHBondContact NE-OH 2.96Å; R436-Y464 VanDerWaalsContact NE-OH 3.08Å
437R59.6Low81.5Confident248 Ų24862 Ų6294%0.93634%0.336SS*.SBendtrans-86.5-28.6-177.3-72.3-174.5-178.7-175.30.6113.9
438E64.4Low81.6Confident181 Ų18156.6 Ų56.685%0.84631%0.311SS*.SBendtrans-140.5140.7-177.9-68.7-178.3172.600110G440E438-G440 PolarHBondContact O-N 2.9Å
439G66.1Low81.4Confident45 Ų4555.9 Ų55.946%0.46431%0.308SS..SBendtrans69.19.9178.300000115.9D460G439-D460 PolarHBondContact O-N 2.86Å
440G71.8Confident81.2Confident1 Ų157.2 Ų57.21%0.0131%0.31CS..  trans-103.120.1-177.800000114.2S417 E438S417-G440 WeakPolarHBondContact CA-O 3.15Å; S417-G440 WeakPolarHBondContact CB-O 3.36Å; E438-G440 PolarHBondContact O-N 2.9Å
441D84.1Confident81Confident54 Ų5452.2 Ų52.229%0.28929%0.291SS..  trans-70132.9-179.7-72.2-16.5000110K415 S416 S417 G458 E459K415-D441 HydrophobicContact CG-CB 4.31Å; S416-D441 WeakPolarHBondContact CA-OD1 3.35Å; S417-D441 PolarHBondContact N-OD1 2.87Å; D441-G458 CarbonylContact O-C 3.51Å; D441-G458 VanDerWaalsContact O-CA 3.28Å; D441-G458 WeakPolarHBondContact O-CA 3.3Å; D441-E459 HydrophobicContact CB-CG 4.46Å; D441-E459 PolarHBondContact O-N 3.04Å
442F88.6Confident80.9Confident1 Ų151.1 Ų51.10%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-72.9138.1179.9-61.2-51000111L398 S416 S417 V419 C456 V457 Y464 F466L398-F442 WeakPolarHBondContact CD1-O 3.43Å; S416-F442 WeakPolarHBondContact O-CD2 3.45Å; S416-F442 PolarHBondContact O-N 2.96Å; S417-F442 VanDerWaalsContact O-CE2 3.23Å; S417-F442 WeakPolarHBondContact O-CE2 3.5Å; V419-F442 HydrophobicContact CB-CE2 4.48Å; V419-F442 HydrophobicContact CG2-CD2 3.45Å; V419-F442 VanDerWaalsContact CG2-CD2 3.45Å; V419-F442 HydrophobicContact CG2-CE2 3.59Å; V419-F442 HydrophobicContact CG2-CG 4.31Å; F442-C456 HydrophobicContact CD1-CB 3.59Å; F442-C456 HydrophobicContact CE1-CB 3.7Å; F442-C456 HydrophobicContact CG-CB 4.03Å; F442-C456 HydrophobicContact CZ-CB 4.19Å; F442-V457 CarbonylContact C-O 3.58Å; F442-V457 WeakPolarHBondContact CA-O 3.39Å; F442-Y464 HydrophobicContact CD1-CD2 4.44Å; F442-Y464 AromaticContact CE1-CD2 3.74Å; F442-Y464 HydrophobicContact CE1-CD2 3.74Å; F442-Y464 HydrophobicContact CE1-CE2 4.31Å; F442-Y464 HydrophobicContact CE1-CG 4Å; F442-F466 HydrophobicContact CE1-CE2 4.46Å; F442-F466 AromaticContact CZ-CE2 3.89Å; F442-F466 HydrophobicContact CZ-CE2 3.89Å; F442-F466 AromaticContact CZ-CZ 3.87Å; F442-F466 HydrophobicContact CZ-CZ 3.87Å
443V86.4Confident81.1Confident48 Ų4851.8 Ų51.829%0.29128%0.281SS..EExtended strand (participates in β ladder)trans-99.1-38.3176.5-176.90000110.5V457 E459 V484V443-V457 PolarHBondContact N-O 2.74Å; V443-E459 HydrophobicContact CG2-CB 4.49Å; V443-E459 HydrophobicContact CG2-CG 3.68Å; V443-V484 WeakPolarHBondContact CG1-O 3.27Å
444C87.4Confident81.4Confident14 Ų1449.3 Ų49.310%0.09526%0.26CS..EExtended strand (participates in β ladder)trans-151.6159.7-179500000111.3C456 V457 G486 L487C444-C456 WeakPolarHBondContact O-CA 3.44Å; C444-V457 PolarHBondContact O-N 2.89Å; C444-G486 VanDerWaalsContact SG-CA 3.56Å; C444-L487 HydrophobicContact CB-CD2 4.15Å; C444-L487 HydrophobicContact CB-CG 4.49Å; C444-L487 WeakPolarHBondContact SG-CD2 3.32Å
445C90.6Very high81.9Confident10 Ų1048.8 Ų48.87%0.06826%0.257CS..EExtended strand (participates in β ladder)trans-137.9156.6176.266.60000111.3I401 C413 Y455I401-C445 HydrophobicContact CD1-CB 4.47Å; I401-C445 WeakPolarHBondContact CD1-O 3.3Å; I401-C445 WeakPolarHBondContact CD1-SG 2.92Å; C413-C445 HydrophobicContact CB-CB 3.94Å; C413-C445 WeakPolarHBondContact CB-SG 3.21Å; C445-Y455 CarbonylContact C-O 3.57Å; C445-Y455 WeakPolarHBondContact CA-O 3.36Å
446C90.3Very high82.7Confident9 Ų945.6 Ų45.66%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-146.4169.9163.989.80000110.5Y455 L487C446-Y455 PolarHBondContact N-O 2.76Å; C446-Y455 PolarHBondContact O-N 3.01Å; C446-L487 HydrophobicContact CB-CD1 3.26Å; C446-L487 HydrophobicContact CB-CG 4.29Å; C446-L487 WeakPolarHBondContact SG-CD1 3.45Å
447V90Very high83.5Confident19 Ų1940 Ų4012%0.11520%0.202CC..EExtended strand (participates in β ladder)trans-126.1144.5-178.4-172.70000107.9I401 F403 I411I401-V447 HydrophobicContact CB-CG2 4.28Å; I401-V447 HydrophobicContact CG2-CB 4.41Å; I401-V447 HydrophobicContact CG2-CG2 3.79Å; F403-V447 HydrophobicContact CD2-CG1 4.39Å; I411-V447 HydrophobicContact CD1-CG2 3.5Å; I411-V447 VanDerWaalsContact CD1-CG2 3.5Å; I411-V447 HydrophobicContact CG1-CG2 4.41Å
448S88.5Confident84.9Confident3 Ų328.2 Ų28.22%0.02116%0.158CC..  trans-67.9155.9172.365.60000111.9E200 S404 H450 G451 D452 W453E200-S448 VanDerWaalsContact CD-CB 3.47Å; E200-S448 WeakPolarHBondContact OE1-CB 3.25Å; E200-S448 WeakPolarHBondContact OE2-CB 3.34Å; E200-S448 PolarHBondContact OE2-OG 3.05Å; S404-S448 PolarHBondContact OG-O 3.39Å; S448-H450 VanDerWaalsContact C-N 3.31Å; S448-H450 PolarHBondContact O-N 3.36Å; S448-G451 WeakPolarHBondContact O-CA 3.27Å; S448-G451 PolarHBondContact O-N 2.75Å; S448-G451 WeakPolarHBondContact OG-CA 3.39Å; S448-G451 PolarHBondContact OG-N 3.39Å; S448-D452 PolarHBondContact OG-N 3.42Å; S448-D452 VanDerWaalsContact OG-N 3.12Å; S448-W453 PolarHBondContact N-O 2.93Å; S448-W453 PolarHBondContact OG-N 2.56Å; S448-W453 PolarHBondContact OG-O 2.69Å
449P80.5Confident86Confident38 Ų3823.2 Ų23.225%0.24714%0.135CC..THydrogen-bonded Turntrans-50.8-45.3-177.6-30.934.5000114.1E200 S404 H489 H490 P491E200-P449 WeakPolarHBondContact OE1-CD 3.48Å; E200-P449 VanDerWaalsContact OE1-N 3.14Å; S404-P449 WeakPolarHBondContact CB-O 3.05Å; S404-P449 PolarHBondContact OG-O 3.18Å; P449-H489 WeakPolarHBondContact CD-CE1 3.13Å; P449-H489 VanDerWaalsContact CD-ND1 3.28Å; P449-H489 WeakPolarHBondContact CD-ND1 3.17Å; P449-H490 VanDerWaalsContact CG-O 3.3Å; P449-H490 WeakPolarHBondContact CG-O 3.4Å; P449-P491 WeakPolarHBondContact CB-O 3.47Å
450H81.8Confident87Confident91 Ų9122.4 Ų22.442%0.42112%0.12SC..THydrogen-bonded Turntrans-88.6-9.9177.9-57.2-69.8000112.7E200 S404 K405 S448 D452E200-H450 VanDerWaalsContact CD-CB 3.5Å; E200-H450 HydrophobicContact CG-CB 4.26Å; E200-H450 WeakPolarHBondContact OE1-CB 3.2Å; E200-H450 IonicContact OE1-CD2 3.77Å; E200-H450 PolarHBondContact OE1-CD2 2.76Å; E200-H450 IonicContact OE1-CG 2.62Å; E200-H450 PolarHBondContact OE1-N 3.02Å; S404-H450 VanDerWaalsContact OG-C 3.25Å; K405-H450 VanDerWaalsContact CE-O 3.31Å; K405-H450 WeakPolarHBondContact CE-O 3.39Å; K405-H450 WeakPolarHBondContact CG-O 3.44Å; S448-H450 VanDerWaalsContact C-N 3.31Å; S448-H450 PolarHBondContact O-N 3.36Å; H450-D452 VanDerWaalsContact C-N 3.31Å
451G82.7Confident87.8Confident0 Ų024.5 Ų24.50%013%0.129CC..SBendtrans74.522.617600000113.2F403 S404 K405 S448 W453 T468F403-G451 WeakPolarHBondContact CE2-O 3.41Å; S404-G451 WeakPolarHBondContact OG-CA 3.43Å; S404-G451 PolarHBondContact OG-N 3.06Å; K405-G451 WeakPolarHBondContact CE-O 3.3Å; S448-G451 WeakPolarHBondContact O-CA 3.27Å; S448-G451 PolarHBondContact O-N 2.75Å; S448-G451 WeakPolarHBondContact OG-CA 3.39Å; S448-G451 PolarHBondContact OG-N 3.39Å; G451-W453 VanDerWaalsContact C-N 3.26Å; G451-T468 WeakPolarHBondContact O-CG2 3.01Å; G451-T468 PolarHBondContact O-OG1 2.93Å
452D85.6Confident88.1Confident56 Ų5622.5 Ų22.530%0.29912%0.119SC..SBendtrans-70-28.9170.2-68-38.5000111.6E200 K405 S448 H450 T468E200-D452 HydrophobicContact CB-CB 4.26Å; E200-D452 WeakPolarHBondContact OE2-CB 3.4Å; E200-D452 PolarHBondContact OE2-N 3.27Å; K405-D452 WeakPolarHBondContact CE-OD1 2.99Å; K405-D452 IonicContact NZ-OD1 3.52Å; K405-D452 PolarHBondContact NZ-OD1 2.99Å; S448-D452 PolarHBondContact OG-N 3.42Å; S448-D452 VanDerWaalsContact OG-N 3.12Å; H450-D452 VanDerWaalsContact C-N 3.31Å; D452-T468 VanDerWaalsContact C-OG1 3.31Å; D452-T468 WeakPolarHBondContact CA-OG1 3.14Å; D452-T468 WeakPolarHBondContact O-CB 3.41Å; D452-T468 WeakPolarHBondContact O-CG2 3.31Å; D452-T468 PolarHBondContact O-N 3.34Å; D452-T468 PolarHBondContact O-OG1 2.83Å
453W90Very high88.3Confident21 Ų2122.4 Ų22.48%0.0812%0.119CC..EExtended strand (participates in β ladder)trans-125.4142.9-175.5-61.393.4000112.9E200 F202 S448 G451 Y455 C465 F466 E474E200-W453 PolarHBondContact O-NE1 3.43Å; F202-W453 HydrophobicContact CB-CD2 4.37Å; F202-W453 HydrophobicContact CB-CE3 4.18Å; F202-W453 HydrophobicContact CB-CH2 4.25Å; F202-W453 HydrophobicContact CB-CZ2 4.44Å; F202-W453 HydrophobicContact CB-CZ3 4.12Å; F202-W453 AromaticContact CD1-CH2 3.45Å; F202-W453 HydrophobicContact CD1-CH2 3.45Å; F202-W453 VanDerWaalsContact CD1-CH2 3.45Å; F202-W453 AromaticContact CD1-CZ2 3.82Å; F202-W453 HydrophobicContact CD1-CZ2 3.82Å; F202-W453 HydrophobicContact CD1-CZ3 4.01Å; F202-W453 HydrophobicContact CE1-CH2 4.2Å; F202-W453 HydrophobicContact CG-CH2 4.28Å; F202-W453 HydrophobicContact CG-CZ3 4.46Å; S448-W453 PolarHBondContact N-O 2.93Å; S448-W453 PolarHBondContact OG-N 2.56Å; S448-W453 PolarHBondContact OG-O 2.69Å; G451-W453 VanDerWaalsContact C-N 3.26Å; W453-Y455 HydrophobicContact CB-CE1 3.96Å; W453-Y455 HydrophobicContact CB-CE2 3.89Å; W453-Y455 WeakPolarHBondContact CB-OH 3.46Å; W453-C465 HydrophobicContact CE3-CB 4.46Å; W453-F466 WeakPolarHBondContact CA-O 3.4Å; W453-E474 HydrophobicContact CH2-CB 4.16Å; W453-E474 VanDerWaalsContact CH2-CD 3.44Å; W453-E474 HydrophobicContact CH2-CG 4.03Å; W453-E474 WeakPolarHBondContact CH2-OE2 3.09Å; W453-E474 HydrophobicContact CZ3-CB 3.94Å; W453-E474 HydrophobicContact CZ3-CG 3.95Å
454I91.6Very high88.5Confident0 Ų020.2 Ų20.20%011%0.105CC..EExtended strand (participates in β ladder)trans-117.8124.9168.9-60.5161000107.3I411 I421 L432 F466 T468I411-I454 HydrophobicContact CD1-CD1 3.5Å; I411-I454 VanDerWaalsContact CD1-CD1 3.5Å; I411-I454 HydrophobicContact CD1-CG1 3.63Å; I411-I454 HydrophobicContact CD1-CG2 4.47Å; I421-I454 HydrophobicContact CD1-CD1 3.97Å; L432-I454 HydrophobicContact CD1-CD1 3.61Å; I454-F466 HydrophobicContact CB-CB 4.3Å; I454-F466 PolarHBondContact N-O 2.77Å; I454-F466 PolarHBondContact O-N 2.79Å; I454-T468 HydrophobicContact CD1-CG2 3.67Å; I454-T468 HydrophobicContact CG1-CG2 3.77Å
455Y92.2Very high88.7Confident1 Ų119.6 Ų19.60%0.00410%0.101CC..EExtended strand (participates in β ladder)trans-107.9129.8-178.8-58.6-63.4000109.1F202 P203 C445 C446 W453 Y464 C465 H489 V496F202-Y455 HydrophobicContact CB-CE1 4.46Å; P203-Y455 VanDerWaalsContact CD-CE1 3.41Å; P203-Y455 HydrophobicContact CG-CE1 4.21Å; C445-Y455 CarbonylContact C-O 3.57Å; C445-Y455 WeakPolarHBondContact CA-O 3.36Å; C446-Y455 PolarHBondContact N-O 2.76Å; C446-Y455 PolarHBondContact O-N 3.01Å; W453-Y455 HydrophobicContact CB-CE1 3.96Å; W453-Y455 HydrophobicContact CB-CE2 3.89Å; W453-Y455 WeakPolarHBondContact CB-OH 3.46Å; Y455-Y464 WeakPolarHBondContact CA-O 3.14Å; Y455-C465 HydrophobicContact CD1-CB 4.14Å; Y455-C465 HydrophobicContact CE1-CB 4.13Å; Y455-H489 AromaticContact CD2-CD2 3.99Å; Y455-H489 AromaticContact CE2-CD2 3.52Å; Y455-H489 AromaticContact CE2-NE2 3.86Å; Y455-V496 HydrophobicContact CD2-CG2 4.04Å; Y455-V496 HydrophobicContact CE2-CG2 3.91Å; Y455-V496 HydrophobicContact CG-CG2 4.44Å
456C91.6Very high88.7Confident0 Ų019.1 Ų19.10%010%0.098CC..EExtended strand (participates in β ladder)trans-134.8140.8178.7-61.40000109.4V419 F442 C444 L463 Y464 F466V419-C456 HydrophobicContact CG2-CB 4.5Å; V419-C456 WeakPolarHBondContact CG2-SG 3.28Å; F442-C456 HydrophobicContact CD1-CB 3.59Å; F442-C456 HydrophobicContact CE1-CB 3.7Å; F442-C456 HydrophobicContact CG-CB 4.03Å; F442-C456 HydrophobicContact CZ-CB 4.19Å; C444-C456 WeakPolarHBondContact O-CA 3.44Å; C456-L463 CarbonylContact O-C 3.56Å; C456-L463 WeakPolarHBondContact O-CA 3.46Å; C456-Y464 PolarHBondContact N-O 3.45Å; C456-Y464 PolarHBondContact O-N 3.21Å; C456-F466 HydrophobicContact CB-CE2 4.25Å
457V90.3Very high88.7Confident0 Ų019.1 Ų19.10%010%0.097CC..EExtended strand (participates in β ladder)trans-109.9130.9173175.20000109.2F442 V443 C444 T462 L463 V484 L487F442-V457 CarbonylContact C-O 3.58Å; F442-V457 WeakPolarHBondContact CA-O 3.39Å; V443-V457 PolarHBondContact N-O 2.74Å; C444-V457 PolarHBondContact O-N 2.89Å; V457-T462 WeakPolarHBondContact CA-O 3.45Å; V457-L463 HydrophobicContact CG2-CB 4.3Å; V457-L463 HydrophobicContact CG2-CD1 3.5Å; V457-V484 HydrophobicContact CB-CG1 4.37Å; V457-V484 HydrophobicContact CG1-CB 3.68Å; V457-V484 HydrophobicContact CG1-CG1 3.89Å; V457-V484 HydrophobicContact CG1-CG2 3.84Å; V457-V484 HydrophobicContact CG2-CG1 4.4Å; V457-L487 HydrophobicContact CB-CD2 4.04Å; V457-L487 HydrophobicContact CG2-CD2 3.54Å
458G88.4Confident88.4Confident1 Ų118.5 Ų18.51%0.019%0.094CC..EExtended strand (participates in β ladder)trans-87.3165.6174.900000113.2D441 D460 H461 T462D441-G458 CarbonylContact O-C 3.51Å; D441-G458 VanDerWaalsContact O-CA 3.28Å; D441-G458 WeakPolarHBondContact O-CA 3.3Å; G458-D460 WeakPolarHBondContact CA-OD1 3.41Å; G458-D460 PolarHBondContact O-N 2.95Å; G458-H461 PolarHBondContact O-N 2.89Å; G458-H461 VanDerWaalsContact O-N 3.11Å; G458-T462 PolarHBondContact N-O 3.19Å
459E87.1Confident88.2Confident75 Ų7522.3 Ų22.335%0.3513%0.126SC..THydrogen-bonded Turntrans-58.6-19.9168.4-71.8-174.8165.200112.4K415 D441 V443 H461K415-E459 WeakPolarHBondContact CE-OE1 3.37Å; K415-E459 IonicContact NZ-OE1 3.68Å; K415-E459 PolarHBondContact NZ-OE1 3.31Å; D441-E459 HydrophobicContact CB-CG 4.46Å; D441-E459 PolarHBondContact O-N 3.04Å; V443-E459 HydrophobicContact CG2-CB 4.49Å; V443-E459 HydrophobicContact CG2-CG 3.68Å; E459-H461 PolarHBondContact O-CE1 3.31Å; E459-H461 PolarHBondContact O-N 2.97Å
460D87.7Confident88.3Confident28 Ų2826.7 Ų26.715%0.1514%0.141CC..THydrogen-bonded Turntrans-79.516.517364.3-2.6000114.8R436 G439 G458 T462 Y464R436-D460 IonicContact CZ-OD2 2.69Å; R436-D460 VanDerWaalsContact CZ-OD2 3.24Å; R436-D460 IonicContact NE-OD2 3.17Å; R436-D460 IonicContact NH1-OD2 3.56Å; R436-D460 PolarHBondContact NH1-OD2 2.98Å; G439-D460 PolarHBondContact O-N 2.86Å; G458-D460 WeakPolarHBondContact CA-OD1 3.41Å; G458-D460 PolarHBondContact O-N 2.95Å; D460-T462 PolarHBondContact O-N 2.99Å; D460-T462 PolarHBondContact O-OG1 2.49Å; D460-T462 WeakPolarHBondContact OD1-CB 3.26Å; D460-T462 PolarHBondContact OD1-N 3.12Å; D460-Y464 PolarHBondContact OD2-OH 3.18Å
461H89.5Confident88.3Confident46 Ų4624.3 Ų24.321%0.21314%0.137CC..SBendtrans57.916.8179.2-36.1-62.5000114.8G458 E459 V479 H480 A482 D483G458-H461 PolarHBondContact O-N 2.89Å; G458-H461 VanDerWaalsContact O-N 3.11Å; E459-H461 PolarHBondContact O-CE1 3.31Å; E459-H461 PolarHBondContact O-N 2.97Å; H461-V479 PolarHBondContact O-N 3.23Å; H461-H480 WeakPolarHBondContact CB-O 3.29Å; H461-A482 VanDerWaalsContact ND1-C 3.32Å; H461-A482 PolarHBondContact ND1-O 3.08Å; H461-D483 IonicContact CE1-OD1 3.72Å; H461-D483 PolarHBondContact CE1-OD1 3.23Å; H461-D483 VanDerWaalsContact CE1-OD1 3.26Å; H461-D483 IonicContact ND1-OD1 2.87Å
462T90.2Very high88.5Confident11 Ų1130.5 Ų30.57%0.06717%0.166CC..EExtended strand (participates in β ladder)trans-101.6132.2-176-54.10000109.8V457 G458 D460 Y464 T476 M477V457-T462 WeakPolarHBondContact CA-O 3.45Å; G458-T462 PolarHBondContact N-O 3.19Å; D460-T462 PolarHBondContact O-N 2.99Å; D460-T462 PolarHBondContact O-OG1 2.49Å; D460-T462 WeakPolarHBondContact OD1-CB 3.26Å; D460-T462 PolarHBondContact OD1-N 3.12Å; T462-Y464 HydrophobicContact CG2-CE2 4.18Å; T462-Y464 VanDerWaalsContact O-CD2 3.28Å; T462-Y464 WeakPolarHBondContact O-CD2 3.25Å; T462-Y464 WeakPolarHBondContact O-CE2 3.28Å; T462-T476 HydrophobicContact CG2-CG2 4.41Å; T462-M477 CarbonylContact C-O 3.57Å; T462-M477 WeakPolarHBondContact CA-O 3.45Å; T462-M477 WeakPolarHBondContact CG2-O 3.39Å
463L91.3Very high88.6Confident0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-83.5123.9168.5-176.275.5000108.9P203 C456 V457 T476 M477 V479 L487P203-L463 HydrophobicContact CG-CD2 3.71Å; C456-L463 CarbonylContact O-C 3.56Å; C456-L463 WeakPolarHBondContact O-CA 3.46Å; V457-L463 HydrophobicContact CG2-CB 4.3Å; V457-L463 HydrophobicContact CG2-CD1 3.5Å; L463-T476 VanDerWaalsContact O-CA 3.26Å; L463-T476 WeakPolarHBondContact O-CA 3.5Å; L463-M477 HydrophobicContact CB-CG 3.75Å; L463-M477 HydrophobicContact CD2-CG 4.02Å; L463-M477 HydrophobicContact CD2-SD 3.73Å; L463-M477 HydrophobicContact CG-CG 4.43Å; L463-M477 PolarHBondContact N-O 2.76Å; L463-M477 PolarHBondContact O-N 3.04Å; L463-V479 HydrophobicContact CB-CG2 3.4Å; L463-L487 HydrophobicContact CD1-CD2 4.45Å
464Y91.6Very high88.5Confident2 Ų233.3 Ų33.31%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-100.7121.7174.3-65.7-93.3000109R436 F442 Y455 C456 D460 T462 L473 T476R436-Y464 WeakPolarHBondContact CD-OH 2.93Å; R436-Y464 PolarHBondContact NE-OH 2.96Å; R436-Y464 VanDerWaalsContact NE-OH 3.08Å; F442-Y464 HydrophobicContact CD1-CD2 4.44Å; F442-Y464 AromaticContact CE1-CD2 3.74Å; F442-Y464 HydrophobicContact CE1-CD2 3.74Å; F442-Y464 HydrophobicContact CE1-CE2 4.31Å; F442-Y464 HydrophobicContact CE1-CG 4Å; Y455-Y464 WeakPolarHBondContact CA-O 3.14Å; C456-Y464 PolarHBondContact N-O 3.45Å; C456-Y464 PolarHBondContact O-N 3.21Å; D460-Y464 PolarHBondContact OD2-OH 3.18Å; T462-Y464 HydrophobicContact CG2-CE2 4.18Å; T462-Y464 VanDerWaalsContact O-CD2 3.28Å; T462-Y464 WeakPolarHBondContact O-CD2 3.25Å; T462-Y464 WeakPolarHBondContact O-CE2 3.28Å; Y464-L473 HydrophobicContact CD1-CD1 3.62Å; Y464-L473 HydrophobicContact CD1-CD2 4.31Å; Y464-L473 HydrophobicContact CG-CD1 4.22Å; Y464-T476 HydrophobicContact CD1-CG2 3.48Å; Y464-T476 VanDerWaalsContact CD1-CG2 3.48Å; Y464-T476 HydrophobicContact CE1-CG2 3.68Å; Y464-T476 HydrophobicContact CG-CG2 4.27Å
465C91.8Very high88.3Confident0 Ų034.2 Ų34.20%019%0.186CC..EExtended strand (participates in β ladder)trans-106.2111.3178.5-56.60000109.4F202 W453 Y455 E474 S475F202-C465 HydrophobicContact CB-CB 4.04Å; W453-C465 HydrophobicContact CE3-CB 4.46Å; Y455-C465 HydrophobicContact CD1-CB 4.14Å; Y455-C465 HydrophobicContact CE1-CB 4.13Å; C465-E474 PolarHBondContact O-N 3.41Å; C465-S475 VanDerWaalsContact CB-OG 3.25Å; C465-S475 WeakPolarHBondContact CB-OG 3.4Å; C465-S475 PolarHBondContact N-O 2.9Å; C465-S475 PolarHBondContact SG-OG 3.17Å
466F91Very high88.2Confident1 Ų137.6 Ų37.60%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-101.1129.1177.5-61.5-79.5000110.8L432 A433 F442 W453 I454 C456 L473L432-F466 HydrophobicContact CB-CD1 3.96Å; L432-F466 HydrophobicContact CB-CE1 4.16Å; L432-F466 HydrophobicContact CB-CG 4.22Å; L432-F466 HydrophobicContact CD1-CB 3.91Å; L432-F466 HydrophobicContact CD1-CG 4.2Å; L432-F466 HydrophobicContact CD2-CD1 4.43Å; A433-F466 WeakPolarHBondContact O-CE1 3.08Å; F442-F466 HydrophobicContact CE1-CE2 4.46Å; F442-F466 AromaticContact CZ-CE2 3.89Å; F442-F466 HydrophobicContact CZ-CE2 3.89Å; F442-F466 AromaticContact CZ-CZ 3.87Å; F442-F466 HydrophobicContact CZ-CZ 3.87Å; W453-F466 WeakPolarHBondContact CA-O 3.4Å; I454-F466 HydrophobicContact CB-CB 4.3Å; I454-F466 PolarHBondContact N-O 2.77Å; I454-F466 PolarHBondContact O-N 2.79Å; C456-F466 HydrophobicContact CB-CE2 4.25Å; F466-L473 HydrophobicContact CD1-CB 3.98Å; F466-L473 HydrophobicContact CD1-CD1 3.91Å; F466-L473 HydrophobicContact CE1-CB 3.81Å; F466-L473 HydrophobicContact CE1-CD1 3.52Å; F466-L473 HydrophobicContact CE1-CG 4.3Å; F466-L473 HydrophobicContact CE2-CD1 4.38Å; F466-L473 HydrophobicContact CG-CD1 4.49Å; F466-L473 HydrophobicContact CZ-CD1 3.78Å
467S89Confident88.1Confident8 Ų839 Ų396%0.05621%0.214CC..EExtended strand (participates in β ladder)trans-80.9125.8169.6175.60000109.6A469 K470 A471 Q472 E474S467-A469 VanDerWaalsContact C-N 3.33Å; S467-A469 PolarHBondContact OG-N 2.65Å; S467-K470 PolarHBondContact OG-N 3.06Å; S467-A471 WeakPolarHBondContact O-CA 3.39Å; S467-A471 PolarHBondContact O-N 2.93Å; S467-Q472 PolarHBondContact N-O 3.03Å; S467-Q472 PolarHBondContact O-N 3.09Å; S467-E474 VanDerWaalsContact CB-OE1 3.22Å; S467-E474 WeakPolarHBondContact CB-OE1 3.25Å
468T85Confident88.1Confident7 Ų744.4 Ų44.44%0.04324%0.242CC..THydrogen-bonded Turntrans-73.4-27.3175.263.40000112.8F403 K405 G451 D452 I454F403-T468 HydrophobicContact CE2-CG2 3.95Å; F403-T468 HydrophobicContact CZ-CG2 4.08Å; K405-T468 PolarHBondContact NZ-OG1 3.06Å; G451-T468 WeakPolarHBondContact O-CG2 3.01Å; G451-T468 PolarHBondContact O-OG1 2.93Å; D452-T468 VanDerWaalsContact C-OG1 3.31Å; D452-T468 WeakPolarHBondContact CA-OG1 3.14Å; D452-T468 WeakPolarHBondContact O-CB 3.41Å; D452-T468 WeakPolarHBondContact O-CG2 3.31Å; D452-T468 PolarHBondContact O-N 3.34Å; D452-T468 PolarHBondContact O-OG1 2.83Å; I454-T468 HydrophobicContact CD1-CG2 3.67Å; I454-T468 HydrophobicContact CG1-CG2 3.77Å
469A83.4Confident88.1Confident83 Ų8344.4 Ų44.469%0.68624%0.242SC*.THydrogen-bonded Turntrans-71.5-46.5178.300000111.1S467S467-A469 VanDerWaalsContact C-N 3.33Å; S467-A469 PolarHBondContact OG-N 2.65Å
470K82.5Confident88.2Confident130 Ų13040.9 Ų40.957%0.56523%0.225SC*.THydrogen-bonded Turntrans-87-14.2178.5-58.1-171.6-163.4141.80113.6S467 Q472 E474S467-K470 PolarHBondContact OG-N 3.06Å; K470-Q472 PolarHBondContact O-N 3.19Å; K470-E474 WeakPolarHBondContact CD-OE1 3.48Å; K470-E474 VanDerWaalsContact CE-OE1 3.27Å; K470-E474 WeakPolarHBondContact CE-OE1 3.47Å; K470-E474 IonicContact NZ-OE1 2.86Å; K470-E474 PolarHBondContact NZ-OE1 2.82Å; K470-E474 IonicContact NZ-OE2 2.72Å
471A82.5Confident88Confident41 Ų4148 Ų4834%0.33926%0.258SS..THydrogen-bonded Turntrans52.637.4-173.900000113.2L432 S467L432-A471 VanDerWaalsContact CD2-C 3.48Å; L432-A471 HydrophobicContact CD2-CB 4.18Å; L432-A471 WeakPolarHBondContact CD2-O 3.36Å; S467-A471 WeakPolarHBondContact O-CA 3.39Å; S467-A471 PolarHBondContact O-N 2.93Å
472Q86.1Confident88Confident129 Ų12947.1 Ų47.160%0.60326%0.258SS*.EExtended strand (participates in β ladder)trans-137157.3-177-72.7-179.6-500110.7S467 K470 E474S467-Q472 PolarHBondContact N-O 3.03Å; S467-Q472 PolarHBondContact O-N 3.09Å; K470-Q472 PolarHBondContact O-N 3.19Å; Q472-E474 PolarHBondContact O-N 3.34Å
473L88Confident87.9Confident66 Ų6651.5 Ų51.535%0.34628%0.281SS..EExtended strand (participates in β ladder)trans-69.7122168.7-17679.8000108.9Y464 F466 T476Y464-L473 HydrophobicContact CD1-CD1 3.62Å; Y464-L473 HydrophobicContact CD1-CD2 4.31Å; Y464-L473 HydrophobicContact CG-CD1 4.22Å; F466-L473 HydrophobicContact CD1-CB 3.98Å; F466-L473 HydrophobicContact CD1-CD1 3.91Å; F466-L473 HydrophobicContact CE1-CB 3.81Å; F466-L473 HydrophobicContact CE1-CD1 3.52Å; F466-L473 HydrophobicContact CE1-CG 4.3Å; F466-L473 HydrophobicContact CE2-CD1 4.38Å; F466-L473 HydrophobicContact CG-CD1 4.49Å; F466-L473 HydrophobicContact CZ-CD1 3.78Å; L473-T476 HydrophobicContact CD1-CG2 4.11Å; L473-T476 HydrophobicContact CD2-CG2 3.82Å; L473-T476 HydrophobicContact CG-CG2 4.29Å
474E87.8Confident87.9Confident70 Ų7051.9 Ų51.933%0.32728%0.284SS..EExtended strand (participates in β ladder)trans-102.3-37.5177.8-66.2-153.4-17400113.1W453 C465 S467 K470 Q472W453-E474 HydrophobicContact CH2-CB 4.16Å; W453-E474 VanDerWaalsContact CH2-CD 3.44Å; W453-E474 HydrophobicContact CH2-CG 4.03Å; W453-E474 WeakPolarHBondContact CH2-OE2 3.09Å; W453-E474 HydrophobicContact CZ3-CB 3.94Å; W453-E474 HydrophobicContact CZ3-CG 3.95Å; C465-E474 PolarHBondContact O-N 3.41Å; S467-E474 VanDerWaalsContact CB-OE1 3.22Å; S467-E474 WeakPolarHBondContact CB-OE1 3.25Å; K470-E474 WeakPolarHBondContact CD-OE1 3.48Å; K470-E474 VanDerWaalsContact CE-OE1 3.27Å; K470-E474 WeakPolarHBondContact CE-OE1 3.47Å; K470-E474 IonicContact NZ-OE1 2.86Å; K470-E474 PolarHBondContact NZ-OE1 2.82Å; K470-E474 IonicContact NZ-OE2 2.72Å; Q472-E474 PolarHBondContact O-N 3.34Å
475S87.9Confident87.7Confident20 Ų2054 Ų5414%0.1429%0.294CS..EExtended strand (participates in β ladder)trans-144.7153.5-178.171.20000112.1F202 C465F202-S475 WeakPolarHBondContact CD2-OG 3.24Å; C465-S475 VanDerWaalsContact CB-OG 3.25Å; C465-S475 WeakPolarHBondContact CB-OG 3.4Å; C465-S475 PolarHBondContact N-O 2.9Å; C465-S475 PolarHBondContact SG-OG 3.17Å
476T89.6Confident87.7Confident71 Ų7154.2 Ų54.244%0.43630%0.297SS..EExtended strand (participates in β ladder)trans-132.8139.417152.70000108.6T462 L463 Y464 L473T462-T476 HydrophobicContact CG2-CG2 4.41Å; L463-T476 VanDerWaalsContact O-CA 3.26Å; L463-T476 WeakPolarHBondContact O-CA 3.5Å; Y464-T476 HydrophobicContact CD1-CG2 3.48Å; Y464-T476 VanDerWaalsContact CD1-CG2 3.48Å; Y464-T476 HydrophobicContact CE1-CG2 3.68Å; Y464-T476 HydrophobicContact CG-CG2 4.27Å; L473-T476 HydrophobicContact CD1-CG2 4.11Å; L473-T476 HydrophobicContact CD2-CG2 3.82Å; L473-T476 HydrophobicContact CG-CG2 4.29Å
477M89.6Confident87.7Confident29 Ų2954.9 Ų54.914%0.14330%0.301CS..EExtended strand (participates in β ladder)trans-142137.4177.865.1-172.6-54.500110.6P203 T462 L463 V479 W508P203-M477 HydrophobicContact CB-SD 4.16Å; P203-M477 HydrophobicContact CG-SD 4.01Å; T462-M477 CarbonylContact C-O 3.57Å; T462-M477 WeakPolarHBondContact CA-O 3.45Å; T462-M477 WeakPolarHBondContact CG2-O 3.39Å; L463-M477 HydrophobicContact CB-CG 3.75Å; L463-M477 HydrophobicContact CD2-CG 4.02Å; L463-M477 HydrophobicContact CD2-SD 3.73Å; L463-M477 HydrophobicContact CG-CG 4.43Å; L463-M477 PolarHBondContact N-O 2.76Å; L463-M477 PolarHBondContact O-N 3.04Å; M477-V479 HydrophobicContact CG-CG2 4.48Å; M477-V479 WeakPolarHBondContact O-CG2 3.27Å; M477-W508 HydrophobicContact CE-CD2 3.87Å; M477-W508 HydrophobicContact CE-CE3 3.18Å; M477-W508 HydrophobicContact CE-CH2 4.02Å; M477-W508 HydrophobicContact CE-CZ3 3.24Å; M477-W508 HydrophobicContact SD-CE3 4.48Å
478L89.9Confident87.9Confident114 Ų11455.3 Ų55.360%0.59730%0.303SS*.EExtended strand (participates in β ladder)trans-76.9127.2173.9-170132000109.3
479V88Confident88.2Confident2 Ų256 Ų561%0.01231%0.306CS..  trans-104.9-49.6-168.2-167.60000111.3H461 L463 M477 T498 K506 W508H461-V479 PolarHBondContact O-N 3.23Å; L463-V479 HydrophobicContact CB-CG2 3.4Å; M477-V479 HydrophobicContact CG-CG2 4.48Å; M477-V479 WeakPolarHBondContact O-CG2 3.27Å; V479-T498 HydrophobicContact CG1-CG2 3.67Å; V479-T498 WeakPolarHBondContact CG1-OG1 3.36Å; V479-K506 VanDerWaalsContact O-CD 3.27Å; V479-K506 WeakPolarHBondContact O-CD 3.4Å; V479-K506 WeakPolarHBondContact O-CE 3.07Å; V479-K506 PolarHBondContact O-NZ 3.41Å; V479-W508 HydrophobicContact CB-CZ2 4.08Å; V479-W508 HydrophobicContact CG1-CH2 4.5Å; V479-W508 HydrophobicContact CG1-CZ2 3.38Å
480H89.7Confident88.4Confident0 Ų052 Ų520%027%0.274CS..  trans-134.3163-176.1-70.8-87.7000110.2H461 V484 T498 S500 D502 L504 K506H461-H480 WeakPolarHBondContact CB-O 3.29Å; H480-V484 HydrophobicContact CB-CG2 3.92Å; H480-T498 PolarHBondContact NE2-O 2.81Å; H480-T498 PolarHBondContact NE2-OG1 3.2Å; H480-S500 PolarHBondContact CE1-OG 2.83Å; H480-S500 PolarHBondContact ND1-OG 2.8Å; H480-D502 IonicContact ND1-OD1 3.79Å; H480-D502 IonicContact ND1-OD2 2.8Å; H480-D502 PolarHBondContact ND1-OD2 2.99Å; H480-L504 PolarHBondContact CE1-O 3.44Å; H480-K506 VanDerWaalsContact CE1-CD 3.49Å; H480-K506 WeakPolarHBondContact CE1-CD 3.38Å
481E85Confident88.5Confident179 Ų17947.8 Ų47.884%0.83626%0.259SS*.SBendtrans-96.9-6.5175.8-63.7-179.9178.700111.9
482A88.7Confident88.5Confident26 Ų2649.2 Ų49.222%0.21526%0.258CS..SBendtrans-127172.2178.500000110.6H461 V484 D502H461-A482 VanDerWaalsContact ND1-C 3.32Å; H461-A482 PolarHBondContact ND1-O 3.08Å; A482-V484 PolarHBondContact O-N 2.98Å; A482-D502 HydrophobicContact CB-CB 3.84Å
483D88Confident88.2Confident104 Ų10445.1 Ų45.156%0.55624%0.239SC*.  trans-55.8123.1-179.4-66.8-21.5000111.6H461 S500 T501H461-D483 IonicContact CE1-OD1 3.72Å; H461-D483 PolarHBondContact CE1-OD1 3.23Å; H461-D483 VanDerWaalsContact CE1-OD1 3.26Å; H461-D483 IonicContact ND1-OD1 2.87Å; D483-S500 WeakPolarHBondContact O-CA 3.42Å; D483-S500 WeakPolarHBondContact O-CB 3.48Å; D483-T501 HydrophobicContact CB-CG2 4.32Å; D483-T501 PolarHBondContact O-N 3.02Å; D483-T501 PolarHBondContact O-OG1 2.91Å; D483-T501 VanDerWaalsContact O-OG1 3.13Å
484V90.7Very high88Confident8 Ų842.5 Ų42.55%0.04823%0.226CC..EExtended strand (participates in β ladder)trans-81.2125.6176.8-178.80000108.5V443 V457 H480 A482 F499V443-V484 WeakPolarHBondContact CG1-O 3.27Å; V457-V484 HydrophobicContact CB-CG1 4.37Å; V457-V484 HydrophobicContact CG1-CB 3.68Å; V457-V484 HydrophobicContact CG1-CG1 3.89Å; V457-V484 HydrophobicContact CG1-CG2 3.84Å; V457-V484 HydrophobicContact CG2-CG1 4.4Å; H480-V484 HydrophobicContact CB-CG2 3.92Å; A482-V484 PolarHBondContact O-N 2.98Å; V484-F499 WeakPolarHBondContact CG1-O 3.33Å
485I88.7Confident88.1Confident45 Ų4539.8 Ų39.823%0.23121%0.213CC..EExtended strand (participates in β ladder)trans-83.9-41-178.2-61166.4000109.5H217 P218 E219 F499 T501H217-I485 WeakPolarHBondContact CD2-CD1 3.46Å; P218-I485 WeakPolarHBondContact O-CD1 3.45Å; E219-I485 WeakPolarHBondContact O-CG2 2.98Å; I485-F499 HydrophobicContact CB-CD2 3.91Å; I485-F499 HydrophobicContact CB-CE2 3.95Å; I485-F499 HydrophobicContact CG2-CD2 4.25Å; I485-F499 HydrophobicContact CG2-CE2 3.85Å; I485-F499 PolarHBondContact N-O 2.93Å; I485-T501 HydrophobicContact CD1-CG2 3.78Å; I485-T501 HydrophobicContact CG1-CG2 3.76Å
486G90.2Very high88.3Confident6 Ų638.9 Ų38.96%0.06221%0.207CC..EExtended strand (participates in β ladder)trans-167.2173.1-17700000114.1C444 F499C444-G486 VanDerWaalsContact SG-CA 3.56Å; G486-F499 PolarHBondContact N-O 3.45Å; G486-F499 WeakPolarHBondContact O-CD1 3.41Å; G486-F499 WeakPolarHBondContact O-CE1 3.2Å; G486-F499 PolarHBondContact O-N 2.78Å
487L92.4Very high88.4Confident15 Ų1535.5 Ų35.58%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-144145.5177.975.1101.6000109.9C444 C446 V457 L463 A497 T498C444-L487 HydrophobicContact CB-CD2 4.15Å; C444-L487 HydrophobicContact CB-CG 4.49Å; C444-L487 WeakPolarHBondContact SG-CD2 3.32Å; C446-L487 HydrophobicContact CB-CD1 3.26Å; C446-L487 HydrophobicContact CB-CG 4.29Å; C446-L487 WeakPolarHBondContact SG-CD1 3.45Å; V457-L487 HydrophobicContact CB-CD2 4.04Å; V457-L487 HydrophobicContact CG2-CD2 3.54Å; L463-L487 HydrophobicContact CD1-CD2 4.45Å; L487-A497 CarbonylContact C-O 3.59Å; L487-A497 VanDerWaalsContact CA-O 3.25Å; L487-A497 WeakPolarHBondContact CA-O 3.35Å; L487-T498 HydrophobicContact CB-CG2 4.13Å
488C91.5Very high88.6Confident16 Ų1634.1 Ų34.111%0.10818%0.18CC..EExtended strand (participates in β ladder)trans-142.7152176.563.90000111.4A221 F223 A497A221-C488 PolarHBondContact O-SG 3.33Å; A221-C488 VanDerWaalsContact O-SG 3.4Å; F223-C488 HydrophobicContact CD2-CB 4.43Å; C488-A497 PolarHBondContact N-O 2.8Å; C488-A497 PolarHBondContact O-N 3.22Å
489H91.2Very high88.8Confident22 Ų2229.2 Ų29.210%0.10215%0.154CC..EExtended strand (participates in β ladder)trans-109.6146.8180-162.1-72.7000110.5F223 P449 Y455 Q493F223-H489 WeakPolarHBondContact CD2-O 3.47Å; P449-H489 WeakPolarHBondContact CD-CE1 3.13Å; P449-H489 VanDerWaalsContact CD-ND1 3.28Å; P449-H489 WeakPolarHBondContact CD-ND1 3.17Å; Y455-H489 AromaticContact CD2-CD2 3.99Å; Y455-H489 AromaticContact CE2-CD2 3.52Å; Y455-H489 AromaticContact CE2-NE2 3.86Å; H489-Q493 PolarHBondContact CE1-O 3.18Å
490H89.4Confident89Confident0 Ų029.1 Ų29.10%015%0.153CC..  trans-72.1131.8172.2-175.1-89.2000111.1F223 G227 Y244 P449 H492 Q493 L495F223-H490 HydrophobicContact CD1-CB 4.49Å; F223-H490 AromaticContact CD1-CD2 3.67Å; F223-H490 HydrophobicContact CD2-CB 4.4Å; F223-H490 HydrophobicContact CE1-CB 4.43Å; F223-H490 AromaticContact CE1-CD2 3.85Å; F223-H490 HydrophobicContact CE2-CB 4.34Å; F223-H490 HydrophobicContact CG-CB 4.46Å; F223-H490 HydrophobicContact CZ-CB 4.36Å; G227-H490 WeakPolarHBondContact CA-NE2 3.39Å; G227-H490 PolarHBondContact O-NE2 2.96Å; Y244-H490 AromaticContact CE1-NE2 3.85Å; Y244-H490 AromaticContact CZ-CD2 3.99Å; Y244-H490 AromaticContact CZ-NE2 3.55Å; P449-H490 VanDerWaalsContact CG-O 3.3Å; P449-H490 WeakPolarHBondContact CG-O 3.4Å; H490-H492 PolarHBondContact ND1-N 2.93Å; H490-H492 VanDerWaalsContact ND1-N 3.19Å; H490-H492 PolarHBondContact O-N 3Å; H490-H492 VanDerWaalsContact O-N 3.12Å; H490-Q493 WeakPolarHBondContact ND1-CB 3.47Å; H490-Q493 PolarHBondContact ND1-N 3.38Å; H490-L495 HydrophobicContact CB-CB 3.96Å; H490-L495 HydrophobicContact CB-CD2 4.23Å; H490-L495 PolarHBondContact N-O 2.82Å
491P84.5Confident88.9Confident40 Ų4032 Ų3226%0.2617%0.171SC..THydrogen-bonded Turntrans-69.9-12.6-170.825.5-34.5000115.6S224 P449S224-P491 WeakPolarHBondContact O-CG 3.44Å; P449-P491 WeakPolarHBondContact CB-O 3.47Å
492H81.3Confident89.1Confident71 Ų7126.3 Ų26.333%0.32915%0.146SC..THydrogen-bonded Turntrans-132.3-2.3-173.4-55.3-45.4000115.5P225 H490P225-H492 PolarHBondContact O-NE2 3.01Å; P225-H492 VanDerWaalsContact O-NE2 3.16Å; H490-H492 PolarHBondContact ND1-N 2.93Å; H490-H492 VanDerWaalsContact ND1-N 3.19Å; H490-H492 PolarHBondContact O-N 3Å; H490-H492 VanDerWaalsContact O-N 3.12Å
493Q80.8Confident89Confident43 Ų4325.3 Ų25.320%0.20114%0.138CC..SBendtrans-141151.9-175.1-65.6-175.6-4100108.3Y244 H489 H490 L495Y244-Q493 VanDerWaalsContact CE2-OE1 3.28Å; Y244-Q493 PolarHBondContact OH-OE1 3.23Å; H489-Q493 PolarHBondContact CE1-O 3.18Å; H490-Q493 WeakPolarHBondContact ND1-CB 3.47Å; H490-Q493 PolarHBondContact ND1-N 3.38Å; Q493-L495 PolarHBondContact O-N 3.19Å
494N84.3Confident89.2Confident11 Ų1122.2 Ų22.26%0.05912%0.121CC..SBendtrans-7379.6172.8-72.9-50.8000110.7E197 E199 E200 P510E197-N494 PolarHBondContact OE2-N 2.83Å; E197-N494 VanDerWaalsContact OE2-N 3.16Å; E197-N494 PolarHBondContact OE2-ND2 2.82Å; E199-N494 PolarHBondContact O-ND2 2.9Å; E200-N494 WeakPolarHBondContact CA-ND2 3.39Å; E200-N494 WeakPolarHBondContact CA-OD1 3.38Å; E200-N494 WeakPolarHBondContact CB-OD1 3.23Å; N494-P510 HydrophobicContact CB-CG 3.91Å; N494-P510 WeakPolarHBondContact O-CD 3.2Å
495L88.6Confident89.3Confident13 Ų1321.9 Ų21.97%0.06812%0.119CC..  trans-141.4124.2179.7-173.3138.6000109.9F223 Y244 H490 Q493 L507 W508 T509F223-L495 HydrophobicContact CE1-CD2 4.15Å; F223-L495 HydrophobicContact CE2-CD2 4.22Å; F223-L495 HydrophobicContact CZ-CD2 3.46Å; F223-L495 VanDerWaalsContact CZ-CD2 3.46Å; Y244-L495 HydrophobicContact CD2-CD1 4.26Å; Y244-L495 HydrophobicContact CD2-CD2 4.41Å; H490-L495 HydrophobicContact CB-CB 3.96Å; H490-L495 HydrophobicContact CB-CD2 4.23Å; H490-L495 PolarHBondContact N-O 2.82Å; Q493-L495 PolarHBondContact O-N 3.19Å; L495-L507 HydrophobicContact CD2-CB 4.48Å; L495-L507 HydrophobicContact CD2-CD2 3.75Å; L495-W508 WeakPolarHBondContact CA-O 3.35Å; L495-T509 HydrophobicContact CD1-CG2 3.87Å; L495-T509 HydrophobicContact CG-CG2 4.47Å
496V91.7Very high89.5Confident2 Ų221.2 Ų21.21%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-110.3128.7178.8-1800000108.4P203 Y455 T498 L507 W508P203-V496 HydrophobicContact CG-CG2 4.21Å; Y455-V496 HydrophobicContact CD2-CG2 4.04Å; Y455-V496 HydrophobicContact CE2-CG2 3.91Å; Y455-V496 HydrophobicContact CG-CG2 4.44Å; V496-T498 HydrophobicContact CG1-CG2 4.2Å; V496-L507 CarbonylContact O-C 3.5Å; V496-L507 WeakPolarHBondContact O-CA 3.32Å; V496-W508 HydrophobicContact CB-CB 4.44Å; V496-W508 PolarHBondContact N-O 2.62Å; V496-W508 PolarHBondContact O-N 3.26Å
497A92.9Very high89.6Confident0 Ų021 Ų210%011%0.112CC..EExtended strand (participates in β ladder)trans-103.5134.3170.400000109.6F223 L487 C488 L505 K506 L507F223-A497 HydrophobicContact CE2-CB 3.7Å; F223-A497 HydrophobicContact CZ-CB 3.97Å; L487-A497 CarbonylContact C-O 3.59Å; L487-A497 VanDerWaalsContact CA-O 3.25Å; L487-A497 WeakPolarHBondContact CA-O 3.35Å; C488-A497 PolarHBondContact N-O 2.8Å; C488-A497 PolarHBondContact O-N 3.22Å; A497-L505 HydrophobicContact CB-CD2 4.25Å; A497-K506 CarbonylContact C-O 3.52Å; A497-K506 WeakPolarHBondContact CA-O 3.48Å; A497-L507 HydrophobicContact CB-CD2 3.35Å
498T93.5Very high89.5Confident0 Ų021 Ų210%011%0.111CC..EExtended strand (participates in β ladder)trans-124.9143.6174.559.80000109.1V479 H480 L487 V496 L505 K506 W508V479-T498 HydrophobicContact CG1-CG2 3.67Å; V479-T498 WeakPolarHBondContact CG1-OG1 3.36Å; H480-T498 PolarHBondContact NE2-O 2.81Å; H480-T498 PolarHBondContact NE2-OG1 3.2Å; L487-T498 HydrophobicContact CB-CG2 4.13Å; V496-T498 HydrophobicContact CG1-CG2 4.2Å; T498-L505 CarbonylContact O-C 3.53Å; T498-L505 VanDerWaalsContact O-CA 3.31Å; T498-L505 WeakPolarHBondContact O-CA 3.27Å; T498-K506 PolarHBondContact N-O 2.82Å; T498-K506 PolarHBondContact O-N 2.86Å; T498-W508 PolarHBondContact OG1-NE1 3.28Å
499F93.7Very high89.2Confident11 Ų1122.1 Ų22.15%0.04812%0.117CC..EExtended strand (participates in β ladder)trans-142.6143.5-177.955.2-88.3000111.5P218 A221 V484 I485 G486 L504 L505P218-F499 HydrophobicContact CB-CB 4.37Å; P218-F499 HydrophobicContact CB-CD2 4.42Å; P218-F499 HydrophobicContact CG-CB 3.73Å; P218-F499 HydrophobicContact CG-CD2 4.4Å; P218-F499 HydrophobicContact CG-CG 4.43Å; A221-F499 HydrophobicContact CB-CD1 3.49Å; A221-F499 VanDerWaalsContact CB-CD1 3.49Å; A221-F499 HydrophobicContact CB-CE1 3.49Å; A221-F499 VanDerWaalsContact CB-CE1 3.49Å; A221-F499 HydrophobicContact CB-CG 4.15Å; A221-F499 HydrophobicContact CB-CZ 4.15Å; V484-F499 WeakPolarHBondContact CG1-O 3.33Å; I485-F499 HydrophobicContact CB-CD2 3.91Å; I485-F499 HydrophobicContact CB-CE2 3.95Å; I485-F499 HydrophobicContact CG2-CD2 4.25Å; I485-F499 HydrophobicContact CG2-CE2 3.85Å; I485-F499 PolarHBondContact N-O 2.93Å; G486-F499 PolarHBondContact N-O 3.45Å; G486-F499 WeakPolarHBondContact O-CD1 3.41Å; G486-F499 WeakPolarHBondContact O-CE1 3.2Å; G486-F499 PolarHBondContact O-N 2.78Å; F499-L504 WeakPolarHBondContact CA-O 3.45Å; F499-L505 HydrophobicContact CB-CB 4.19Å; F499-L505 HydrophobicContact CB-CD1 4.31Å; F499-L505 HydrophobicContact CB-CG 4.04Å
500S91.9Very high88.8Confident0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-141.2169.3-167.842.40000113H480 D483 D502 G503 L504H480-S500 PolarHBondContact CE1-OG 2.83Å; H480-S500 PolarHBondContact ND1-OG 2.8Å; D483-S500 WeakPolarHBondContact O-CA 3.42Å; D483-S500 WeakPolarHBondContact O-CB 3.48Å; S500-D502 WeakPolarHBondContact CB-OD1 3.37Å; S500-D502 PolarHBondContact O-N 3.02Å; S500-D502 PolarHBondContact OG-OD1 3.49Å; S500-D502 PolarHBondContact OG-OD2 2.72Å; S500-G503 PolarHBondContact O-N 3.42Å; S500-L504 PolarHBondContact N-O 3.01Å; S500-L504 PolarHBondContact OG-O 3.29Å
501T88.9Confident88.7Confident60 Ų6024.7 Ų24.737%0.36814%0.135SC..THydrogen-bonded Turntrans-65.7-16178.852.80000114D483 I485 G503D483-T501 HydrophobicContact CB-CG2 4.32Å; D483-T501 PolarHBondContact O-N 3.02Å; D483-T501 PolarHBondContact O-OG1 2.91Å; D483-T501 VanDerWaalsContact O-OG1 3.13Å; I485-T501 HydrophobicContact CD1-CG2 3.78Å; I485-T501 HydrophobicContact CG1-CG2 3.76Å; T501-G503 PolarHBondContact O-N 3.06Å
502D87.7Confident89Confident59 Ų5923.9 Ų23.932%0.31613%0.128SC..THydrogen-bonded Turntrans-69.9-2.4172.662.44.5000113.8H480 A482 S500 L504H480-D502 IonicContact ND1-OD1 3.79Å; H480-D502 IonicContact ND1-OD2 2.8Å; H480-D502 PolarHBondContact ND1-OD2 2.99Å; A482-D502 HydrophobicContact CB-CB 3.84Å; S500-D502 WeakPolarHBondContact CB-OD1 3.37Å; S500-D502 PolarHBondContact O-N 3.02Å; S500-D502 PolarHBondContact OG-OD1 3.49Å; S500-D502 PolarHBondContact OG-OD2 2.72Å; D502-L504 VanDerWaalsContact C-N 3.31Å; D502-L504 HydrophobicContact CB-CG 4.48Å; D502-L504 VanDerWaalsContact OD1-CB 3.3Å; D502-L504 WeakPolarHBondContact OD1-CB 3.41Å; D502-L504 PolarHBondContact OD1-N 3.32Å; D502-L504 WeakPolarHBondContact OD2-CD1 3.15Å
503G87.5Confident89.4Confident5 Ų521.3 Ų21.35%0.05212%0.117CC..SBendtrans75.519.4-176.900000113.4F212 S500 T501F212-G503 WeakPolarHBondContact CB-O 3.07Å; F212-G503 WeakPolarHBondContact CD2-O 3.47Å; F212-G503 PolarHBondContact N-O 3.33Å; S500-G503 PolarHBondContact O-N 3.42Å; T501-G503 PolarHBondContact O-N 3.06Å
504L91.6Very high89.9Confident40 Ų4020 Ų2021%0.20911%0.112CC..EExtended strand (participates in β ladder)trans-107.5135.3176.1-56.7-177.4000110.8V209 K211 H480 F499 S500 D502V209-L504 HydrophobicContact CG1-CB 4.44Å; V209-L504 HydrophobicContact CG1-CD2 4.08Å; K211-L504 HydrophobicContact CB-CD2 4.28Å; K211-L504 HydrophobicContact CD-CD2 4.36Å; K211-L504 HydrophobicContact CG-CD2 3.7Å; H480-L504 PolarHBondContact CE1-O 3.44Å; F499-L504 WeakPolarHBondContact CA-O 3.45Å; S500-L504 PolarHBondContact N-O 3.01Å; S500-L504 PolarHBondContact OG-O 3.29Å; D502-L504 VanDerWaalsContact C-N 3.31Å; D502-L504 HydrophobicContact CB-CG 4.48Å; D502-L504 VanDerWaalsContact OD1-CB 3.3Å; D502-L504 WeakPolarHBondContact OD1-CB 3.41Å; D502-L504 PolarHBondContact OD1-N 3.32Å; D502-L504 WeakPolarHBondContact OD2-CD1 3.15Å
505L93Very high90.2Very high0 Ų020.6 Ų20.60%012%0.116CC..EExtended strand (participates in β ladder)trans-114.7116.3163.5-174.6164.6000108.2I210 F212 A221 L230 T232 A497 T498 F499 L507I210-L505 HydrophobicContact CB-CB 4.23Å; I210-L505 HydrophobicContact CD1-CD2 4.22Å; I210-L505 PolarHBondContact N-O 3.48Å; I210-L505 PolarHBondContact O-N 3.46Å; F212-L505 HydrophobicContact CE2-CB 3.99Å; A221-L505 HydrophobicContact CB-CD1 3.86Å; L230-L505 HydrophobicContact CD2-CD1 4.16Å; L230-L505 HydrophobicContact CD2-CD2 3.94Å; T232-L505 HydrophobicContact CG2-CD1 3.47Å; T232-L505 VanDerWaalsContact CG2-CD1 3.47Å; A497-L505 HydrophobicContact CB-CD2 4.25Å; T498-L505 CarbonylContact O-C 3.53Å; T498-L505 VanDerWaalsContact O-CA 3.31Å; T498-L505 WeakPolarHBondContact O-CA 3.27Å; F499-L505 HydrophobicContact CB-CB 4.19Å; F499-L505 HydrophobicContact CB-CD1 4.31Å; F499-L505 HydrophobicContact CB-CG 4.04Å; L505-L507 HydrophobicContact CD2-CD2 3.88Å; L505-L507 HydrophobicContact CD2-CG 4.12Å
506K93Very high90.4Very high32 Ų3221.1 Ų21.114%0.13912%0.119CC..EExtended strand (participates in β ladder)trans-104.6135.7-178.1-65177.6-176.8-178.70109.7L206 V209 V479 H480 A497 T498 W508L206-K506 HydrophobicContact CD1-CB 4.1Å; L206-K506 HydrophobicContact CD1-CD 3.71Å; L206-K506 HydrophobicContact CD1-CG 3.98Å; V209-K506 HydrophobicContact CG1-CG 4.25Å; V209-K506 HydrophobicContact CG2-CG 4.23Å; V479-K506 VanDerWaalsContact O-CD 3.27Å; V479-K506 WeakPolarHBondContact O-CD 3.4Å; V479-K506 WeakPolarHBondContact O-CE 3.07Å; V479-K506 PolarHBondContact O-NZ 3.41Å; H480-K506 VanDerWaalsContact CE1-CD 3.49Å; H480-K506 WeakPolarHBondContact CE1-CD 3.38Å; A497-K506 CarbonylContact C-O 3.52Å; A497-K506 WeakPolarHBondContact CA-O 3.48Å; T498-K506 PolarHBondContact N-O 2.82Å; T498-K506 PolarHBondContact O-N 2.86Å; K506-W508 HydrophobicContact CB-CZ2 4.06Å; K506-W508 HydrophobicContact CD-CZ2 3.77Å
507L91.8Very high90.3Very high0 Ų022.4 Ų22.40%013%0.126CC..EExtended strand (participates in β ladder)trans-105.4134172.3-61173.1000108.7S207 L208 F223 L230 Y244 L495 V496 A497 L505S207-L507 PolarHBondContact N-O 3.21Å; S207-L507 PolarHBondContact OG-O 3.41Å; L208-L507 HydrophobicContact CB-CB 4.17Å; L208-L507 HydrophobicContact CB-CD1 4.13Å; L208-L507 PolarHBondContact N-O 3.16Å; L208-L507 PolarHBondContact O-N 3.41Å; F223-L507 HydrophobicContact CZ-CD2 4.06Å; L230-L507 HydrophobicContact CD2-CD2 4.21Å; Y244-L507 WeakPolarHBondContact O-CD1 3.27Å; L495-L507 HydrophobicContact CD2-CB 4.48Å; L495-L507 HydrophobicContact CD2-CD2 3.75Å; V496-L507 CarbonylContact O-C 3.5Å; V496-L507 WeakPolarHBondContact O-CA 3.32Å; A497-L507 HydrophobicContact CB-CD2 3.35Å; L505-L507 HydrophobicContact CD2-CD2 3.88Å; L505-L507 HydrophobicContact CD2-CG 4.12Å
508W90.2Very high90.1Very high16 Ų1624.2 Ų24.26%0.06114%0.136CC..EExtended strand (participates in β ladder)trans-122.1134.7-175.5-54.291.1000109.6P203 Q205 L206 M477 V479 L495 V496 T498 K506P203-W508 HydrophobicContact CB-CB 3.72Å; Q205-W508 WeakPolarHBondContact O-CA 3.21Å; L206-W508 HydrophobicContact CB-CE3 3.82Å; L206-W508 HydrophobicContact CB-CH2 4.22Å; L206-W508 HydrophobicContact CB-CZ3 3.59Å; L206-W508 HydrophobicContact CD1-CE3 4.39Å; L206-W508 HydrophobicContact CD1-CH2 3.67Å; L206-W508 HydrophobicContact CD1-CZ2 3.87Å; L206-W508 HydrophobicContact CD1-CZ3 3.93Å; L206-W508 HydrophobicContact CG-CE3 4.48Å; L206-W508 HydrophobicContact CG-CZ3 4.3Å; M477-W508 HydrophobicContact CE-CD2 3.87Å; M477-W508 HydrophobicContact CE-CE3 3.18Å; M477-W508 HydrophobicContact CE-CH2 4.02Å; M477-W508 HydrophobicContact CE-CZ3 3.24Å; M477-W508 HydrophobicContact SD-CE3 4.48Å; V479-W508 HydrophobicContact CB-CZ2 4.08Å; V479-W508 HydrophobicContact CG1-CH2 4.5Å; V479-W508 HydrophobicContact CG1-CZ2 3.38Å; L495-W508 WeakPolarHBondContact CA-O 3.35Å; V496-W508 HydrophobicContact CB-CB 4.44Å; V496-W508 PolarHBondContact N-O 2.62Å; V496-W508 PolarHBondContact O-N 3.26Å; T498-W508 PolarHBondContact OG1-NE1 3.28Å; K506-W508 HydrophobicContact CB-CZ2 4.06Å; K506-W508 HydrophobicContact CD-CZ2 3.77Å
509T86Confident89.8Confident39 Ų3926.2 Ų26.224%0.23915%0.147CC..EExtended strand (participates in β ladder)trans-119.3156.6175.550.90000109.4R204 Q205 L495R204-T509 PolarHBondContact N-O 3.29Å; Q205-T509 PolarHBondContact N-O 3.09Å; Q205-T509 PolarHBondContact O-N 3.42Å; L495-T509 HydrophobicContact CD1-CG2 3.87Å; L495-T509 HydrophobicContact CG-CG2 4.47Å
510P81.9Confident89.4Confident52 Ų5227.5 Ų27.534%0.33816%0.156SC..  trans-57.50175.323.4-34.2000114.3T201 R204 N494T201-P510 WeakPolarHBondContact OG1-CB 3.22Å; T201-P510 WeakPolarHBondContact OG1-CG 3.36Å; R204-P510 VanDerWaalsContact CB-OXT 3.3Å; R204-P510 WeakPolarHBondContact CB-OXT 3.35Å; R204-P510 WeakPolarHBondContact CG-OXT 3.5Å; N494-P510 HydrophobicContact CB-CG 3.91Å; N494-P510 WeakPolarHBondContact O-CD 3.2Å

Retrieved 510 of 510 residues in 381.6 ms (Link to these results)

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