A0A3B3UHX6_9TELE Loading...

Protein rogdi homolog

AlphaFold DB , UniProt , Accession A0A3B3UHX6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 297 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low40.8Very low238 Ų238168.3 Ų168.3100%1.17286%0.855SS**  0120.80-78.5-177.4-177.700108.4
2L39.1Very low41.3Very low170 Ų170164.1 Ų164.189%0.8985%0.847SS**  trans54.897.7153.8-68.5145.5000119.6
3H36.1Very low42.1Very low187 Ų187167.1 Ų167.187%0.86685%0.85SS**PPolyproline II helixtrans-78.9138.5147.4-92.4-54.4000109.6
4P48.6Very low42.8Very low120 Ų120160.2 Ų160.278%0.77981%0.814SS**PPolyproline II helixtrans-78136.6173.35.510000111.2R6P4-R6 PolarHBondContact O-N 3.45Å
5Q43Very low43.9Very low193 Ų193154.2 Ų154.290%0.90279%0.793SS**PPolyproline II helixtrans-51.4121.4173.4-78.4165.6-52.600111.8S7Q5-S7 PolarHBondContact O-N 3.03Å
6R39.5Very low44.9Very low246 Ų246149 Ų14993%0.92878%0.78SS**PPolyproline II helixtrans-66.7119.8157-93.6-180172.7172.5-2.6108P4P4-R6 PolarHBondContact O-N 3.45Å
7S39.4Very low45.7Very low91 Ų91144.7 Ų144.764%0.63677%0.771SS**PPolyproline II helixtrans-63.9139.4178.395.80000111.1Q5 S9Q5-S7 PolarHBondContact O-N 3.03Å; S7-S9 PolarHBondContact O-N 3.36Å; S7-S9 VanDerWaalsContact O-N 3.09Å; S7-S9 PolarHBondContact OG-OG 3.04Å
8L39.8Very low46.9Very low185 Ų185137.8 Ų137.897%0.96974%0.736SS**SBendtrans-78.836.2178.3-108.5149000112.8
9S42Very low48Very low91 Ų91136.4 Ų136.464%0.63672%0.724SS**  trans-119.526-164.670.90000117.3S7S7-S9 PolarHBondContact O-N 3.36Å; S7-S9 VanDerWaalsContact O-N 3.09Å; S7-S9 PolarHBondContact OG-OG 3.04Å
10E40Very low49.4Very low187 Ų187134.4 Ų134.487%0.87472%0.717SS**  trans-127.167.3171.7-71.1-174.6163.500111.6
11L44.8Very low50.7Low143 Ų143132.6 Ų132.675%0.74971%0.705SS**  trans-69.9134.5148.3-86.4148.9000107.3K13L11-K13 PolarHBondContact O-N 3.25Å
12P46Very low52.3Low118 Ų118125.3 Ų125.377%0.76666%0.664SS**  trans-58.9111.4178.4-16.327.7000109.2M14P12-M14 PolarHBondContact O-N 3.44Å; P12-M14 VanDerWaalsContact O-N 3.11Å
13K52.2Low54.1Low203 Ų203119.9 Ų119.988%0.88364%0.644SS**PPolyproline II helixtrans-62116.8170.5-74.9-179.2179.2175.40107.2L11 S15L11-K13 PolarHBondContact O-N 3.25Å; K13-S15 PolarHBondContact O-N 3.19Å
14M52.3Low56.3Low71 Ų71114.5 Ų114.535%0.3562%0.624SS.*PPolyproline II helixtrans-48.4133.8171.7-74.4172.258.200109.6P12 Q19P12-M14 PolarHBondContact O-N 3.44Å; P12-M14 VanDerWaalsContact O-N 3.11Å; M14-Q19 HydrophobicContact CB-CG 4.24Å; M14-Q19 HydrophobicContact CE-CG 4.07Å
15S58.7Low57.7Low70 Ų70111.3 Ų111.349%0.4960%0.6SS.*PPolyproline II helixtrans-60.5145.4176.669.90000110.2K13 A17 S18 Q19K13-S15 PolarHBondContact O-N 3.19Å; S15-A17 PolarHBondContact O-N 2.68Å; S15-S18 WeakPolarHBondContact O-CA 3.48Å; S15-S18 WeakPolarHBondContact O-CB 3.49Å; S15-S18 PolarHBondContact O-N 3.46Å; S15-S18 VanDerWaalsContact OG-CB 3.3Å; S15-S18 WeakPolarHBondContact OG-CB 3.42Å; S15-S18 PolarHBondContact OG-N 2.87Å; S15-Q19 PolarHBondContact O-N 3.07Å; S15-Q19 VanDerWaalsContact O-N 3.14Å
16A59.8Low59.2Low71 Ų71106.7 Ų106.759%0.58758%0.579SS**Hα-helixtrans-56.2-34.6177.500000112S18 Q19 V20A16-S18 VanDerWaalsContact C-N 3.33Å; A16-S18 PolarHBondContact O-N 3.13Å; A16-Q19 PolarHBondContact O-N 3.31Å; A16-V20 WeakPolarHBondContact O-CG2 3.4Å; A16-V20 PolarHBondContact O-N 2.61Å
17A58.2Low61.2Low76 Ų76101.8 Ų101.863%0.62857%0.566SS**Hα-helixtrans-61.5-38.3173.600000112.9S15 E21S15-A17 PolarHBondContact O-N 2.68Å; A17-E21 WeakPolarHBondContact O-CB 3.37Å; A17-E21 PolarHBondContact O-N 3.03Å
18S67.8Low63.2Low20 Ų20102.2 Ų102.214%0.1456%0.558CS.*Hα-helixtrans-72.1-28.5177-177.80000112.8S15 A16 R22 R295S15-S18 WeakPolarHBondContact O-CA 3.48Å; S15-S18 WeakPolarHBondContact O-CB 3.49Å; S15-S18 PolarHBondContact O-N 3.46Å; S15-S18 VanDerWaalsContact OG-CB 3.3Å; S15-S18 WeakPolarHBondContact OG-CB 3.42Å; S15-S18 PolarHBondContact OG-N 2.87Å; A16-S18 VanDerWaalsContact C-N 3.33Å; A16-S18 PolarHBondContact O-N 3.13Å; S18-R22 WeakPolarHBondContact O-CB 3.25Å; S18-R22 PolarHBondContact O-N 3.37Å; S18-R22 VanDerWaalsContact O-N 3.17Å; S18-R295 PolarHBondContact OG-NH1 3.44Å
19Q68.3Low65Low111 Ų11194.9 Ų94.952%0.51952%0.518SS..Hα-helixtrans-74.7-40.8173.8-71.1178.2-10.500112.3M14 S15 A16 R22 A23M14-Q19 HydrophobicContact CB-CG 4.24Å; M14-Q19 HydrophobicContact CE-CG 4.07Å; S15-Q19 PolarHBondContact O-N 3.07Å; S15-Q19 VanDerWaalsContact O-N 3.14Å; A16-Q19 PolarHBondContact O-N 3.31Å; Q19-R22 PolarHBondContact O-N 2.85Å; Q19-A23 PolarHBondContact O-N 3.35Å
20V75.4Confident66.8Low96 Ų9694 Ų9458%0.58251%0.507SS*.Hα-helixtrans-65.4-44.9175.2174.70000110.7A16 R22 A23 V24A16-V20 WeakPolarHBondContact O-CG2 3.4Å; A16-V20 PolarHBondContact O-N 2.61Å; V20-R22 VanDerWaalsContact C-N 3.28Å; V20-R22 PolarHBondContact O-N 2.82Å; V20-A23 PolarHBondContact O-N 2.95Å; V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 2.77Å
21E76.1Confident69Low97 Ų9791.9 Ų91.945%0.45349%0.491SS..Hα-helixtrans-56.6-42.9174.5-174.5-175.6-150.600111.5A17 L25 R295A17-E21 WeakPolarHBondContact O-CB 3.37Å; A17-E21 PolarHBondContact O-N 3.03Å; E21-L25 HydrophobicContact CG-CD1 4.17Å; E21-L25 WeakPolarHBondContact O-CB 3.31Å; E21-L25 VanDerWaalsContact O-CG 3.28Å; E21-L25 WeakPolarHBondContact O-CG 3.41Å; E21-L25 PolarHBondContact O-N 3.07Å; E21-R295 IonicContact OE2-CZ 3.73Å; E21-R295 IonicContact OE2-NH1 2.76Å; E21-R295 IonicContact OE2-NH2 2.94Å; E21-R295 PolarHBondContact OE2-NH2 3.24Å; E21-R295 VanDerWaalsContact OE2-NH2 3.09Å
22R71.9Confident70.8Confident86 Ų8685.3 Ų85.333%0.32546%0.456SS..Hα-helixtrans-64-43176.5-176.9176.9177.9136.94112.8S18 Q19 V20 L25 E26 F297S18-R22 WeakPolarHBondContact O-CB 3.25Å; S18-R22 PolarHBondContact O-N 3.37Å; S18-R22 VanDerWaalsContact O-N 3.17Å; Q19-R22 PolarHBondContact O-N 2.85Å; V20-R22 VanDerWaalsContact C-N 3.28Å; V20-R22 PolarHBondContact O-N 2.82Å; R22-L25 PolarHBondContact O-N 3.47Å; R22-E26 WeakPolarHBondContact O-CB 3.41Å; R22-E26 PolarHBondContact O-N 3.06Å; R22-F297 VanDerWaalsContact NH1-CZ 3.33Å
23A76.8Confident72.4Confident56 Ų5679.8 Ų79.846%0.46342%0.42SS..Hα-helixtrans-64.5-43.1179.600000111.9Q19 V20 E26 E27Q19-A23 PolarHBondContact O-N 3.35Å; V20-A23 PolarHBondContact O-N 2.95Å; A23-E26 PolarHBondContact O-N 2.7Å; A23-E27 PolarHBondContact O-N 3.15Å
24V82Confident73.7Confident73 Ų7375.2 Ų75.244%0.44240%0.4SS..Hα-helixtrans-62.1-47.9175.7173.30000110.5V20 E26 E27 E28V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 2.77Å; V24-E26 PolarHBondContact O-N 2.65Å; V24-E27 WeakPolarHBondContact O-CB 3.44Å; V24-E27 PolarHBondContact O-N 2.77Å; V24-E28 HydrophobicContact CG1-CG 4.35Å; V24-E28 VanDerWaalsContact O-CG 3.31Å; V24-E28 WeakPolarHBondContact O-CG 3.3Å; V24-E28 PolarHBondContact O-N 3.16Å
25L76.8Confident75.3Confident54 Ų5477.4 Ų77.428%0.28341%0.41SS..Hα-helixtrans-60.6-33.6177.5-72.2168.8000112.3E21 R22 F29 W292E21-L25 HydrophobicContact CG-CD1 4.17Å; E21-L25 WeakPolarHBondContact O-CB 3.31Å; E21-L25 VanDerWaalsContact O-CG 3.28Å; E21-L25 WeakPolarHBondContact O-CG 3.41Å; E21-L25 PolarHBondContact O-N 3.07Å; R22-L25 PolarHBondContact O-N 3.47Å; L25-F29 WeakPolarHBondContact O-CB 3.43Å; L25-F29 PolarHBondContact O-N 3.4Å; L25-W292 VanDerWaalsContact C-CH2 3.44Å; L25-W292 HydrophobicContact CB-CH2 3.56Å; L25-W292 HydrophobicContact CB-CZ3 3.85Å; L25-W292 WeakPolarHBondContact O-CH2 3.45Å
26E75.6Confident76.6Confident96 Ų9676 Ų7645%0.44940%0.396SS..Hα-helixtrans-71.3-37.9179.8-167.4167.2-178.500110.8R22 A23 V24 N30 W292R22-E26 WeakPolarHBondContact O-CB 3.41Å; R22-E26 PolarHBondContact O-N 3.06Å; A23-E26 PolarHBondContact O-N 2.7Å; V24-E26 PolarHBondContact O-N 2.65Å; E26-N30 WeakPolarHBondContact O-CB 3.46Å; E26-N30 VanDerWaalsContact O-CG 3.31Å; E26-N30 PolarHBondContact O-N 3.33Å; E26-N30 PolarHBondContact O-ND2 3.45Å; E26-W292 HydrophobicContact CB-CH2 4.18Å; E26-W292 HydrophobicContact CB-CZ2 3.77Å; E26-W292 HydrophobicContact CG-CZ2 4.08Å
27E81.1Confident78.1Confident143 Ų14372.6 Ų72.667%0.66837%0.368SS*.Hα-helixtrans-65.2-45.3172.4-165.7170.7-170.500111.4A23 V24 F29 N30 W31A23-E27 PolarHBondContact O-N 3.15Å; V24-E27 WeakPolarHBondContact O-CB 3.44Å; V24-E27 PolarHBondContact O-N 2.77Å; E27-F29 PolarHBondContact O-N 3.04Å; E27-N30 PolarHBondContact O-N 3.43Å; E27-W31 WeakPolarHBondContact O-CB 3.37Å; E27-W31 PolarHBondContact O-N 2.89Å
28E80.9Confident79.6Confident99 Ų9970.3 Ų70.346%0.46334%0.344SS..Hα-helixtrans-60.6-42.2174.6-69.8-64.5140.100112V24 W31 L32 F288V24-E28 HydrophobicContact CG1-CG 4.35Å; V24-E28 VanDerWaalsContact O-CG 3.31Å; V24-E28 WeakPolarHBondContact O-CG 3.3Å; V24-E28 PolarHBondContact O-N 3.16Å; E28-W31 PolarHBondContact O-N 3.47Å; E28-L32 WeakPolarHBondContact O-CB 3.3Å; E28-L32 PolarHBondContact O-N 3.26Å; E28-F288 HydrophobicContact CB-CE1 4.42Å
29F79.1Confident80.7Confident31 Ų3172.2 Ų72.214%0.13636%0.361CS..Hα-helixtrans-67.3-39.2176.4-175-112.2000112.1L25 E27 W31 L32 L33 F288L25-F29 WeakPolarHBondContact O-CB 3.43Å; L25-F29 PolarHBondContact O-N 3.4Å; E27-F29 PolarHBondContact O-N 3.04Å; F29-W31 VanDerWaalsContact C-N 3.34Å; F29-L32 HydrophobicContact CD2-CD2 4.1Å; F29-L32 HydrophobicContact CE2-CD2 4.32Å; F29-L32 WeakPolarHBondContact O-CB 3.43Å; F29-L32 PolarHBondContact O-N 2.97Å; F29-L33 HydrophobicContact CD1-CD1 3.95Å; F29-L33 HydrophobicContact CD1-CG 4.48Å; F29-L33 HydrophobicContact CE1-CD1 3.48Å; F29-L33 VanDerWaalsContact CE1-CD1 3.48Å; F29-L33 HydrophobicContact CE1-CG 4.15Å; F29-L33 HydrophobicContact CE2-CG 4.46Å; F29-L33 HydrophobicContact CZ-CD1 3.88Å; F29-L33 HydrophobicContact CZ-CD2 4.29Å; F29-L33 HydrophobicContact CZ-CG 4.14Å; F29-L33 WeakPolarHBondContact O-CG 3.38Å; F29-L33 PolarHBondContact O-N 3.28Å; F29-F288 HydrophobicContact CB-CD1 4.3Å; F29-F288 HydrophobicContact CD2-CB 3.34Å; F29-F288 HydrophobicContact CD2-CD1 4.17Å; F29-F288 HydrophobicContact CD2-CD2 4.39Å; F29-F288 AromaticContact CD2-CG 3.74Å; F29-F288 HydrophobicContact CD2-CG 3.74Å; F29-F288 HydrophobicContact CE2-CB 3.64Å; F29-F288 HydrophobicContact CE2-CG 4.42Å; F29-F288 HydrophobicContact CG-CB 4.36Å
30N79.8Confident81.9Confident73 Ų7367.7 Ų67.739%0.3934%0.34SS..Hα-helixtrans-65.8-37.6174.3-80-48.7000112E26 E27 L33 K34E26-N30 WeakPolarHBondContact O-CB 3.46Å; E26-N30 VanDerWaalsContact O-CG 3.31Å; E26-N30 PolarHBondContact O-N 3.33Å; E26-N30 PolarHBondContact O-ND2 3.45Å; E27-N30 PolarHBondContact O-N 3.43Å; N30-L33 PolarHBondContact O-N 2.97Å; N30-K34 WeakPolarHBondContact O-CB 3.14Å; N30-K34 VanDerWaalsContact O-CG 3.31Å; N30-K34 WeakPolarHBondContact O-CG 3.43Å; N30-K34 PolarHBondContact O-N 3.46Å; N30-K34 VanDerWaalsContact O-N 3.15Å
31W85.6Confident82.8Confident142 Ų14263.5 Ų63.554%0.53832%0.315SS..Hα-helixtrans-64.3-47.2173.3-177.790.2000111.1E27 E28 F29 L33 K34 E35 E36E27-W31 WeakPolarHBondContact O-CB 3.37Å; E27-W31 PolarHBondContact O-N 2.89Å; E28-W31 PolarHBondContact O-N 3.47Å; F29-W31 VanDerWaalsContact C-N 3.34Å; W31-L33 VanDerWaalsContact C-N 3.29Å; W31-L33 PolarHBondContact O-N 2.97Å; W31-K34 PolarHBondContact O-N 3.31Å; W31-K34 VanDerWaalsContact O-N 3.09Å; W31-E35 HydrophobicContact CD2-CB 4.23Å; W31-E35 HydrophobicContact CH2-CB 4.48Å; W31-E35 HydrophobicContact CZ2-CB 3.91Å; W31-E35 HydrophobicContact CZ2-CG 4.46Å; W31-E35 PolarHBondContact O-N 3.44Å; W31-E36 HydrophobicContact CZ3-CB 4.17Å
32L81.7Confident83.6Confident5 Ų564.4 Ų64.43%0.02632%0.317CS..Iπ-helixtrans-52.7-47.8175.3178.379000111.3E28 F29 K34 E36 V37 I285 F288E28-L32 WeakPolarHBondContact O-CB 3.3Å; E28-L32 PolarHBondContact O-N 3.26Å; F29-L32 HydrophobicContact CD2-CD2 4.1Å; F29-L32 HydrophobicContact CE2-CD2 4.32Å; F29-L32 WeakPolarHBondContact O-CB 3.43Å; F29-L32 PolarHBondContact O-N 2.97Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3.42Å; L32-E36 HydrophobicContact CD1-CB 3.82Å; L32-E36 HydrophobicContact CD1-CG 4.16Å; L32-E36 WeakPolarHBondContact CD1-OE2 3.41Å; L32-E36 PolarHBondContact O-N 3.04Å; L32-V37 WeakPolarHBondContact O-CG2 3.01Å; L32-V37 PolarHBondContact O-N 3.44Å; L32-I285 HydrophobicContact CD2-CG1 4.45Å; L32-F288 HydrophobicContact CD2-CD2 3.58Å; L32-F288 HydrophobicContact CD2-CE2 3.87Å; L32-F288 HydrophobicContact CD2-CG 4.37Å
33L79.8Confident84.7Confident3 Ų364.3 Ų64.32%0.01632%0.32CS..Iπ-helixtrans-67.6-28.3-179.1-73.5-179.8000114F29 N30 W31 V37 F146 V152F29-L33 HydrophobicContact CD1-CD1 3.95Å; F29-L33 HydrophobicContact CD1-CG 4.48Å; F29-L33 HydrophobicContact CE1-CD1 3.48Å; F29-L33 VanDerWaalsContact CE1-CD1 3.48Å; F29-L33 HydrophobicContact CE1-CG 4.15Å; F29-L33 HydrophobicContact CE2-CG 4.46Å; F29-L33 HydrophobicContact CZ-CD1 3.88Å; F29-L33 HydrophobicContact CZ-CD2 4.29Å; F29-L33 HydrophobicContact CZ-CG 4.14Å; F29-L33 WeakPolarHBondContact O-CG 3.38Å; F29-L33 PolarHBondContact O-N 3.28Å; N30-L33 PolarHBondContact O-N 2.97Å; W31-L33 VanDerWaalsContact C-N 3.29Å; W31-L33 PolarHBondContact O-N 2.97Å; L33-V37 HydrophobicContact CD2-CG2 4.33Å; L33-F146 HydrophobicContact CB-CB 4.46Å; L33-F146 HydrophobicContact CD2-CB 4.21Å; L33-V152 HydrophobicContact CD2-CG2 3.97Å
34K79.8Confident85.6Confident106 Ų10661.6 Ų61.646%0.46130%0.298SS..Iπ-helixtrans-94.4-36.9-175.6-74.3-179.1-178.4179.80113.9N30 W31 L32 H38N30-K34 WeakPolarHBondContact O-CB 3.14Å; N30-K34 VanDerWaalsContact O-CG 3.31Å; N30-K34 WeakPolarHBondContact O-CG 3.43Å; N30-K34 PolarHBondContact O-N 3.46Å; N30-K34 VanDerWaalsContact O-N 3.15Å; W31-K34 PolarHBondContact O-N 3.31Å; W31-K34 VanDerWaalsContact O-N 3.09Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 3.42Å; K34-H38 PolarHBondContact O-ND1 3.49Å
35E85.3Confident86.2Confident117 Ų11759.6 Ų59.655%0.54728%0.284SS..Iπ-helixtrans-107.7-55.8-172.4-67.6-64.8151.100110.6W31 H38 A39W31-E35 HydrophobicContact CD2-CB 4.23Å; W31-E35 HydrophobicContact CH2-CB 4.48Å; W31-E35 HydrophobicContact CZ2-CB 3.91Å; W31-E35 HydrophobicContact CZ2-CG 4.46Å; W31-E35 PolarHBondContact O-N 3.44Å; E35-H38 PolarHBondContact O-N 3.09Å; E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 3.02Å
36E87.6Confident87.1Confident41 Ų4162.3 Ų62.319%0.19230%0.296CS..Iπ-helixtrans-68.9-43.1-172.9-167.4-179.1150.900112.3W31 L32 H38 A39 V40 K284W31-E36 HydrophobicContact CZ3-CB 4.17Å; L32-E36 HydrophobicContact CD1-CB 3.82Å; L32-E36 HydrophobicContact CD1-CG 4.16Å; L32-E36 WeakPolarHBondContact CD1-OE2 3.41Å; L32-E36 PolarHBondContact O-N 3.04Å; E36-H38 VanDerWaalsContact C-N 3.34Å; E36-H38 PolarHBondContact O-N 3.15Å; E36-A39 PolarHBondContact O-N 3.34Å; E36-V40 HydrophobicContact CG-CG2 4.47Å; E36-V40 WeakPolarHBondContact O-CG2 3.49Å; E36-V40 PolarHBondContact O-N 2.95Å; E36-K284 VanDerWaalsContact CD-NZ 3.28Å; E36-K284 WeakPolarHBondContact OE1-CD 3.37Å; E36-K284 VanDerWaalsContact OE1-CE 3.3Å; E36-K284 WeakPolarHBondContact OE1-CE 3.31Å; E36-K284 IonicContact OE1-NZ 3.63Å; E36-K284 PolarHBondContact OE1-NZ 3.25Å; E36-K284 IonicContact OE2-NZ 3.16Å; E36-K284 PolarHBondContact OE2-NZ 2.85Å
37V90.1Very high88Confident0 Ų059 Ų590%028%0.281CS..Hα-helixtrans-56.6-50.2177.4173.80000110.2L32 L33 A39 V40 L41 F146 V152 L281L32-V37 WeakPolarHBondContact O-CG2 3.01Å; L32-V37 PolarHBondContact O-N 3.44Å; L33-V37 HydrophobicContact CD2-CG2 4.33Å; V37-A39 PolarHBondContact O-N 2.84Å; V37-V40 PolarHBondContact O-N 3.24Å; V37-L41 HydrophobicContact CG1-CD1 3.98Å; V37-L41 HydrophobicContact CG1-CG 4.2Å; V37-L41 VanDerWaalsContact O-CG 3.27Å; V37-L41 WeakPolarHBondContact O-CG 3.47Å; V37-L41 PolarHBondContact O-N 2.9Å; V37-F146 HydrophobicContact CB-CD2 4.17Å; V37-F146 HydrophobicContact CB-CE2 4.42Å; V37-F146 HydrophobicContact CG1-CD2 3.49Å; V37-F146 VanDerWaalsContact CG1-CD2 3.49Å; V37-F146 HydrophobicContact CG1-CE2 3.38Å; V37-F146 HydrophobicContact CG1-CG 4.37Å; V37-F146 HydrophobicContact CG1-CZ 4.24Å; V37-V152 HydrophobicContact CG1-CG1 3.92Å; V37-V152 HydrophobicContact CG1-CG2 4.2Å; V37-V152 HydrophobicContact CG2-CG1 4.12Å; V37-V152 HydrophobicContact CG2-CG2 4.19Å; V37-L281 HydrophobicContact CG1-CD2 4.42Å; V37-L281 HydrophobicContact CG2-CD1 4.09Å
38H90.1Very high88.7Confident27 Ų2752.2 Ų52.213%0.12525%0.249CC..Hα-helixtrans-64.3-38.9-179.8-67.572.5000112.7K34 E35 E36 V40 L41 K42 Y144 F146K34-H38 PolarHBondContact O-ND1 3.49Å; E35-H38 PolarHBondContact O-N 3.09Å; E36-H38 VanDerWaalsContact C-N 3.34Å; E36-H38 PolarHBondContact O-N 3.15Å; H38-V40 PolarHBondContact O-N 3.4Å; H38-L41 PolarHBondContact O-N 3.3Å; H38-K42 WeakPolarHBondContact O-CB 3.38Å; H38-K42 PolarHBondContact O-N 2.87Å; H38-Y144 PolarHBondContact CE1-O 3.31Å; H38-Y144 PolarHBondContact NE2-O 3.48Å; H38-F146 AromaticContact CE1-CD2 3.67Å; H38-F146 AromaticContact CE1-CE2 3.76Å
39A91.6Very high89.3Confident60 Ų6052.9 Ų52.950%0.49625%0.25SS..Hα-helixtrans-59.4-45.8174.200000111.8E35 E36 V37 K42 Q43E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 3.02Å; E36-A39 PolarHBondContact O-N 3.34Å; V37-A39 PolarHBondContact O-N 2.84Å; A39-K42 PolarHBondContact O-N 2.9Å; A39-Q43 WeakPolarHBondContact O-CB 3.37Å; A39-Q43 PolarHBondContact O-N 3.26Å
40V93.3Very high90Very high16 Ų1653.7 Ų53.710%0.09726%0.255CS..Hα-helixtrans-67-41.5177175.30000111.3E36 V37 H38 K42 Q43 L44 L277 L281E36-V40 HydrophobicContact CG-CG2 4.47Å; E36-V40 WeakPolarHBondContact O-CG2 3.49Å; E36-V40 PolarHBondContact O-N 2.95Å; V37-V40 PolarHBondContact O-N 3.24Å; H38-V40 PolarHBondContact O-N 3.4Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 2.9Å; V40-Q43 PolarHBondContact O-N 3.22Å; V40-L44 HydrophobicContact CG1-CD1 4Å; V40-L44 HydrophobicContact CG1-CG 4.26Å; V40-L44 WeakPolarHBondContact O-CB 3.3Å; V40-L44 VanDerWaalsContact O-CG 3.28Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 2.98Å; V40-L277 HydrophobicContact CG1-CB 4.46Å; V40-L281 HydrophobicContact CB-CD2 4.13Å; V40-L281 HydrophobicContact CG1-CB 4.31Å; V40-L281 HydrophobicContact CG1-CD2 3.96Å; V40-L281 HydrophobicContact CG2-CD1 4.48Å
41L93.1Very high90.6Very high9 Ų950.2 Ų50.25%0.04724%0.236CC..Hα-helixtrans-60-43.9176.3-69.6-179.8000111.4V37 H38 L44 Q45 L137 F146 L155 M156V37-L41 HydrophobicContact CG1-CD1 3.98Å; V37-L41 HydrophobicContact CG1-CG 4.2Å; V37-L41 VanDerWaalsContact O-CG 3.27Å; V37-L41 WeakPolarHBondContact O-CG 3.47Å; V37-L41 PolarHBondContact O-N 2.9Å; H38-L41 PolarHBondContact O-N 3.3Å; L41-L44 PolarHBondContact O-N 2.56Å; L41-Q45 WeakPolarHBondContact O-CG 3.4Å; L41-Q45 PolarHBondContact O-N 3.3Å; L41-L137 HydrophobicContact CD2-CD2 3.54Å; L41-F146 HydrophobicContact CD1-CE2 3.76Å; L41-F146 HydrophobicContact CD1-CZ 3.83Å; L41-L155 HydrophobicContact CD1-CD2 4.32Å; L41-L155 HydrophobicContact CD2-CD2 3.78Å; L41-M156 HydrophobicContact CD2-CE 3.43Å; L41-M156 VanDerWaalsContact CD2-CE 3.43Å
42K92.9Very high90.9Very high115 Ų11544.3 Ų44.350%0.522%0.216SC..Hα-helixtrans-62.8-47.2176.4-174.4177.9-179.8178.10111.5H38 A39 V40 L44 Q45 E46H38-K42 WeakPolarHBondContact O-CB 3.38Å; H38-K42 PolarHBondContact O-N 2.87Å; A39-K42 PolarHBondContact O-N 2.9Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 2.9Å; K42-L44 VanDerWaalsContact C-N 3.32Å; K42-L44 PolarHBondContact O-N 3.19Å; K42-Q45 WeakPolarHBondContact O-CB 3.13Å; K42-Q45 PolarHBondContact O-N 3.02Å; K42-Q45 VanDerWaalsContact O-N 3.16Å; K42-E46 WeakPolarHBondContact O-CG 3.49Å; K42-E46 PolarHBondContact O-N 3.01Å
43Q95.1Very high91.3Very high84 Ų8449.8 Ų49.839%0.39324%0.237SC..Hα-helixtrans-59.5-42.9176.2-172.5-1787.400111.6A39 V40 E46 I47 L277A39-Q43 WeakPolarHBondContact O-CB 3.37Å; A39-Q43 PolarHBondContact O-N 3.26Å; V40-Q43 PolarHBondContact O-N 3.22Å; Q43-E46 PolarHBondContact O-N 3.43Å; Q43-I47 HydrophobicContact CG-CD1 3.98Å; Q43-I47 VanDerWaalsContact O-CG1 3.28Å; Q43-I47 WeakPolarHBondContact O-CG1 3.17Å; Q43-I47 PolarHBondContact O-N 3.36Å; Q43-L277 HydrophobicContact CG-CD1 4.06Å
44L96.1Very high91.7Very high0 Ų052.1 Ų52.10%025%0.245CC..Hα-helixtrans-61.2-44.6174.6-76171.7000111.5V40 L41 K42 E46 I47 L48 L137 M156 S274 L277V40-L44 HydrophobicContact CG1-CD1 4Å; V40-L44 HydrophobicContact CG1-CG 4.26Å; V40-L44 WeakPolarHBondContact O-CB 3.3Å; V40-L44 VanDerWaalsContact O-CG 3.28Å; V40-L44 WeakPolarHBondContact O-CG 3.47Å; V40-L44 PolarHBondContact O-N 2.98Å; L41-L44 PolarHBondContact O-N 2.56Å; K42-L44 VanDerWaalsContact C-N 3.32Å; K42-L44 PolarHBondContact O-N 3.19Å; L44-E46 VanDerWaalsContact C-N 3.35Å; L44-E46 PolarHBondContact O-N 3.04Å; L44-I47 PolarHBondContact O-N 3.17Å; L44-L48 WeakPolarHBondContact O-CB 3.35Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.33Å; L44-L48 PolarHBondContact O-N 3.02Å; L44-L137 HydrophobicContact CB-CD1 3.81Å; L44-L137 HydrophobicContact CB-CD2 4.36Å; L44-L137 HydrophobicContact CD1-CD2 4.27Å; L44-M156 HydrophobicContact CD1-CE 4.28Å; L44-M156 HydrophobicContact CD1-SD 4.14Å; L44-S274 WeakPolarHBondContact CD2-O 3.32Å; L44-L277 HydrophobicContact CD2-CB 3.92Å; L44-L277 HydrophobicContact CD2-CD1 4.12Å; L44-L277 HydrophobicContact CG-CB 4.46Å
45Q95.1Very high92Very high30 Ų3047.1 Ų47.114%0.1422%0.224CC..Hα-helixtrans-60.6-43.6176.7-74-179.79.400111.8L41 K42 L48 K49 L137L41-Q45 WeakPolarHBondContact O-CG 3.4Å; L41-Q45 PolarHBondContact O-N 3.3Å; K42-Q45 WeakPolarHBondContact O-CB 3.13Å; K42-Q45 PolarHBondContact O-N 3.02Å; K42-Q45 VanDerWaalsContact O-N 3.16Å; Q45-L48 PolarHBondContact O-N 3.2Å; Q45-K49 VanDerWaalsContact O-CB 3.26Å; Q45-K49 WeakPolarHBondContact O-CB 3.34Å; Q45-K49 WeakPolarHBondContact O-CG 3.27Å; Q45-K49 PolarHBondContact O-N 2.92Å; Q45-L137 HydrophobicContact CG-CB 3.65Å; Q45-L137 HydrophobicContact CG-CD1 4.03Å; Q45-L137 HydrophobicContact CG-CG 4.44Å; Q45-L137 PolarHBondContact NE2-O 3.37Å
46E94.9Very high91.7Very high112 Ų11244.2 Ų44.252%0.52322%0.216SC..Hα-helixtrans-62.4-48.1178.6-72173.9163.300111.5K42 Q43 L44 L48 K49 E50K42-E46 WeakPolarHBondContact O-CG 3.49Å; K42-E46 PolarHBondContact O-N 3.01Å; Q43-E46 PolarHBondContact O-N 3.43Å; L44-E46 VanDerWaalsContact C-N 3.35Å; L44-E46 PolarHBondContact O-N 3.04Å; E46-L48 PolarHBondContact O-N 3.14Å; E46-K49 PolarHBondContact O-N 3.36Å; E46-E50 PolarHBondContact O-N 2.72Å
47I95.9Very high90.6Very high27 Ų2746.6 Ų46.614%0.13823%0.228CC..Hα-helixtrans-61.3-45.3177.4-65.8165.1000110.9Q43 L44 E50 A51 F270 I273 S274 L277Q43-I47 HydrophobicContact CG-CD1 3.98Å; Q43-I47 VanDerWaalsContact O-CG1 3.28Å; Q43-I47 WeakPolarHBondContact O-CG1 3.17Å; Q43-I47 PolarHBondContact O-N 3.36Å; L44-I47 PolarHBondContact O-N 3.17Å; I47-E50 PolarHBondContact O-N 3.49Å; I47-A51 PolarHBondContact O-N 3.28Å; I47-F270 HydrophobicContact CG2-CB 3.83Å; I47-F270 HydrophobicContact CG2-CD1 3.95Å; I47-F270 HydrophobicContact CG2-CG 4.16Å; I47-I273 HydrophobicContact CD1-CG2 3.91Å; I47-S274 VanDerWaalsContact CG2-OG 3.3Å; I47-S274 WeakPolarHBondContact CG2-OG 3.26Å; I47-L277 HydrophobicContact CD1-CD1 3.55Å
48L95.6Very high89.1Confident0 Ų048.9 Ų48.90%024%0.243CC..Hα-helixtrans-73.9-29.9-178-66-172.7000113.2L44 Q45 E46 E50 A51 S52 A133 L134 L137 L163 S274L44-L48 WeakPolarHBondContact O-CB 3.35Å; L44-L48 VanDerWaalsContact O-CG 3.24Å; L44-L48 WeakPolarHBondContact O-CG 3.33Å; L44-L48 PolarHBondContact O-N 3.02Å; Q45-L48 PolarHBondContact O-N 3.2Å; E46-L48 PolarHBondContact O-N 3.14Å; L48-E50 VanDerWaalsContact C-N 3.32Å; L48-A51 PolarHBondContact O-N 3.09Å; L48-S52 WeakPolarHBondContact O-CB 3.45Å; L48-S52 PolarHBondContact O-N 3.26Å; L48-A133 HydrophobicContact CD1-CB 3.86Å; L48-L134 HydrophobicContact CB-CD2 3.6Å; L48-L134 HydrophobicContact CB-CG 3.94Å; L48-L137 HydrophobicContact CD1-CD1 3.71Å; L48-L163 HydrophobicContact CD1-CD2 3.96Å; L48-L163 HydrophobicContact CD2-CD2 3.46Å; L48-L163 VanDerWaalsContact CD2-CD2 3.46Å; L48-L163 HydrophobicContact CG-CD2 4.37Å; L48-S274 WeakPolarHBondContact CD2-OG 3.46Å
49K94.1Very high87.2Confident112 Ų11252.3 Ų52.349%0.48727%0.266SS..Hα-helixtrans-63.2-43.2169.5-79.3169.3-176.9169.30110.1Q45 E46 S52 R53 L134Q45-K49 VanDerWaalsContact O-CB 3.26Å; Q45-K49 WeakPolarHBondContact O-CB 3.34Å; Q45-K49 WeakPolarHBondContact O-CG 3.27Å; Q45-K49 PolarHBondContact O-N 2.92Å; E46-K49 PolarHBondContact O-N 3.36Å; K49-S52 PolarHBondContact O-N 3.17Å; K49-R53 WeakPolarHBondContact O-CB 3.44Å; K49-R53 PolarHBondContact O-N 2.87Å; K49-L134 HydrophobicContact CG-CD2 3.92Å
50E92Very high85Confident49 Ų4956 Ų5623%0.22929%0.285CS..Hα-helixtrans-65.3-42.8176-174.755.5-160.400111.8E46 I47 L48 S52 R53 R54 F270E46-E50 PolarHBondContact O-N 2.72Å; I47-E50 PolarHBondContact O-N 3.49Å; L48-E50 VanDerWaalsContact C-N 3.32Å; E50-S52 PolarHBondContact O-N 3.27Å; E50-R53 WeakPolarHBondContact O-CB 3.3Å; E50-R53 PolarHBondContact O-N 2.9Å; E50-R53 IonicContact OE1-CZ 3.57Å; E50-R53 IonicContact OE1-NE 3.5Å; E50-R53 IonicContact OE1-NH2 2.77Å; E50-R53 PolarHBondContact OE1-NH2 3.13Å; E50-R53 IonicContact OE2-CZ 3.34Å; E50-R53 IonicContact OE2-NE 2.85Å; E50-R53 PolarHBondContact OE2-NE 3.33Å; E50-R53 IonicContact OE2-NH2 3.15Å; E50-R53 PolarHBondContact OE2-NH2 3.17Å; E50-R53 VanDerWaalsContact OE2-NH2 3.15Å; E50-R54 WeakPolarHBondContact O-CG 3.28Å; E50-R54 PolarHBondContact O-N 3.44Å; E50-R54 VanDerWaalsContact O-N 3.17Å; E50-R54 IonicContact OE1-CZ 3.24Å; E50-R54 IonicContact OE1-NE 3.05Å; E50-R54 PolarHBondContact OE1-NE 2.98Å; E50-R54 IonicContact OE1-NH2 2.65Å; E50-R54 PolarHBondContact OE1-NH2 3.3Å; E50-F270 HydrophobicContact CG-CE2 3.93Å; E50-F270 HydrophobicContact CG-CZ 3.76Å
51A92.9Very high83.1Confident0 Ų059.1 Ų59.10%032%0.321CS..Hα-helixtrans-59.6-44.1172.800000112.1I47 L48 R53 R54 F55 F270 F271I47-A51 PolarHBondContact O-N 3.28Å; L48-A51 PolarHBondContact O-N 3.09Å; A51-R53 VanDerWaalsContact C-N 3.32Å; A51-R53 PolarHBondContact O-N 3.4Å; A51-R54 WeakPolarHBondContact O-CB 3.28Å; A51-R54 PolarHBondContact O-N 3.23Å; A51-R54 VanDerWaalsContact O-N 3.13Å; A51-F55 VanDerWaalsContact O-CD2 3.24Å; A51-F55 WeakPolarHBondContact O-CD2 3.45Å; A51-F270 HydrophobicContact CB-CB 3.94Å; A51-F270 HydrophobicContact CB-CD2 3.83Å; A51-F270 HydrophobicContact CB-CG 4.24Å; A51-F271 HydrophobicContact CB-CE1 4.29Å
52S92.8Very high81Confident18 Ų1865.1 Ų65.113%0.12635%0.352CS..Hα-helixtrans-63.1-37.6176.7-170.10000112.1L48 K49 E50 R54 F55 S56 N131L48-S52 WeakPolarHBondContact O-CB 3.45Å; L48-S52 PolarHBondContact O-N 3.26Å; K49-S52 PolarHBondContact O-N 3.17Å; E50-S52 PolarHBondContact O-N 3.27Å; S52-R54 VanDerWaalsContact C-N 3.25Å; S52-R54 PolarHBondContact O-N 2.9Å; S52-F55 WeakPolarHBondContact O-CB 3.24Å; S52-F55 PolarHBondContact O-N 3.03Å; S52-S56 PolarHBondContact O-N 3.31Å; S52-S56 PolarHBondContact O-OG 3.4Å; S52-N131 PolarHBondContact OG-OD1 2.95Å; S52-N131 VanDerWaalsContact OG-OD1 3.11Å
53R89.8Confident78.5Confident120 Ų12069.6 Ų69.645%0.45338%0.375SS..Hα-helixtrans-60.7-35174-166.2173.971.7125.34.7111.8K49 E50 A51 F55 S56K49-R53 WeakPolarHBondContact O-CB 3.44Å; K49-R53 PolarHBondContact O-N 2.87Å; E50-R53 WeakPolarHBondContact O-CB 3.3Å; E50-R53 PolarHBondContact O-N 2.9Å; E50-R53 IonicContact OE1-CZ 3.57Å; E50-R53 IonicContact OE1-NE 3.5Å; E50-R53 IonicContact OE1-NH2 2.77Å; E50-R53 PolarHBondContact OE1-NH2 3.13Å; E50-R53 IonicContact OE2-CZ 3.34Å; E50-R53 IonicContact OE2-NE 2.85Å; E50-R53 PolarHBondContact OE2-NE 3.33Å; E50-R53 IonicContact OE2-NH2 3.15Å; E50-R53 PolarHBondContact OE2-NH2 3.17Å; E50-R53 VanDerWaalsContact OE2-NH2 3.15Å; A51-R53 VanDerWaalsContact C-N 3.32Å; A51-R53 PolarHBondContact O-N 3.4Å; R53-F55 VanDerWaalsContact C-N 3.26Å; R53-F55 PolarHBondContact O-N 3.07Å; R53-S56 WeakPolarHBondContact O-CB 3.28Å; R53-S56 PolarHBondContact O-N 3.33Å
54R88.1Confident76.1Confident51 Ų5167.9 Ų67.919%0.19237%0.372CS..Hα-helixtrans-64.4-27175.1-57.9-55.5171.1170.4-3.9113.2E50 A51 S52 K67 W263 F270E50-R54 WeakPolarHBondContact O-CG 3.28Å; E50-R54 PolarHBondContact O-N 3.44Å; E50-R54 VanDerWaalsContact O-N 3.17Å; E50-R54 IonicContact OE1-CZ 3.24Å; E50-R54 IonicContact OE1-NE 3.05Å; E50-R54 PolarHBondContact OE1-NE 2.98Å; E50-R54 IonicContact OE1-NH2 2.65Å; E50-R54 PolarHBondContact OE1-NH2 3.3Å; A51-R54 WeakPolarHBondContact O-CB 3.28Å; A51-R54 PolarHBondContact O-N 3.23Å; A51-R54 VanDerWaalsContact O-N 3.13Å; S52-R54 VanDerWaalsContact C-N 3.25Å; S52-R54 PolarHBondContact O-N 2.9Å; R54-K67 PolarHBondContact O-NZ 3.14Å; R54-W263 HydrophobicContact CB-CE3 4.37Å; R54-F270 HydrophobicContact CG-CE2 4.18Å
55F86.1Confident73.9Confident2 Ų273.9 Ų73.91%0.00940%0.4CS..Hα-helixtrans-81-18.5172.6-69-80.3000114A51 S52 R53 I123 A126 R127 V130 L170 W263 T267 F271A51-F55 VanDerWaalsContact O-CD2 3.24Å; A51-F55 WeakPolarHBondContact O-CD2 3.45Å; S52-F55 WeakPolarHBondContact O-CB 3.24Å; S52-F55 PolarHBondContact O-N 3.03Å; R53-F55 VanDerWaalsContact C-N 3.26Å; R53-F55 PolarHBondContact O-N 3.07Å; F55-I123 HydrophobicContact CD1-CG2 3.6Å; F55-I123 HydrophobicContact CE1-CG2 3.82Å; F55-A126 HydrophobicContact CE1-CB 4.07Å; F55-A126 HydrophobicContact CZ-CB 3.93Å; F55-R127 HydrophobicContact CB-CB 4.13Å; F55-R127 HydrophobicContact CB-CG 3.83Å; F55-R127 HydrophobicContact CD1-CB 3.98Å; F55-R127 HydrophobicContact CD2-CB 4.37Å; F55-R127 HydrophobicContact CE1-CB 4.47Å; F55-R127 HydrophobicContact CG-CB 3.92Å; F55-R127 HydrophobicContact CG-CG 4.1Å; F55-V130 HydrophobicContact CE2-CG2 4.12Å; F55-L170 HydrophobicContact CZ-CD1 4.35Å; F55-W263 AromaticContact CD1-CZ3 3.99Å; F55-W263 HydrophobicContact CD1-CZ3 3.99Å; F55-W263 HydrophobicContact CE1-CZ3 4.21Å; F55-T267 HydrophobicContact CD2-CG2 4.49Å; F55-T267 HydrophobicContact CE2-CG2 3.46Å; F55-T267 VanDerWaalsContact CE2-CG2 3.46Å; F55-T267 HydrophobicContact CZ-CG2 3.56Å; F55-F271 HydrophobicContact CE2-CZ 4.09Å; F55-F271 HydrophobicContact CZ-CZ 4.12Å
56S78.3Confident72.2Confident56 Ų5682.1 Ų82.139%0.39244%0.439SS..SBendtrans-78.2153.1-176.2-610000111.6S52 R53S52-S56 PolarHBondContact O-N 3.31Å; S52-S56 PolarHBondContact O-OG 3.4Å; R53-S56 WeakPolarHBondContact O-CB 3.28Å; R53-S56 PolarHBondContact O-N 3.33Å
57M64.9Low71.2Confident90 Ų9079.1 Ų79.144%0.44342%0.424SS..PPolyproline II helixtrans-72.3148171.4-73.9-61-71.200110.1T59 Q88M57-T59 PolarHBondContact O-N 2.83Å; M57-Q88 HydrophobicContact CE-CB 3.58Å; M57-Q88 HydrophobicContact CE-CG 3.79Å; M57-Q88 HydrophobicContact SD-CB 3.62Å; M57-Q88 HydrophobicContact SD-CG 4.35Å
58P57.8Low70.5Confident48 Ų4882.3 Ų82.331%0.31244%0.438SS..PPolyproline II helixtrans-58.5119.2165.8-16.329.1000109
59T52Low70.1Confident100 Ų10084.6 Ų84.661%0.61345%0.449SS*.PPolyproline II helixtrans-72.9130.1171.9-20.50000108.2M57 G61 L62M57-T59 PolarHBondContact O-N 2.83Å; T59-G61 PolarHBondContact O-N 3.43Å; T59-G61 VanDerWaalsContact O-N 3.13Å; T59-L62 PolarHBondContact O-N 2.84Å
60P44.9Very low70.1Confident136 Ų13683.7 Ų83.788%0.88345%0.449SS*.THydrogen-bonded Turntrans-60.9119.6175.7-1120.6000109.6
61G51.9Low70.2Confident83 Ų8381.3 Ų81.386%0.85644%0.438SS*.THydrogen-bonded Turntrans112.9-8.9174.600000116.3T59T59-G61 PolarHBondContact O-N 3.43Å; T59-G61 VanDerWaalsContact O-N 3.13Å
62L49.6Very low70.2Confident134 Ų13485.8 Ų85.870%0.70246%0.461SS*.SBendtrans-102.8122.8164.6-13074.2000107.4T59 S64T59-L62 PolarHBondContact O-N 2.84Å; L62-S64 PolarHBondContact O-N 3.45Å
63E41.3Very low70.3Confident210 Ų21085 Ų8598%0.98146%0.455SS*.  trans-62.274.7171.3-66.2-176.2158.900110
64S44.7Very low70Confident48 Ų4879.8 Ų79.834%0.33644%0.439SS..  trans-88.4119.7175.259.60000108.1L62 Q66L62-S64 PolarHBondContact O-N 3.45Å; S64-Q66 PolarHBondContact O-N 2.89Å
65Q50.3Low69.5Low125 Ų12582.2 Ų82.258%0.58446%0.464SS*.  trans-10118.6164.5-68.9179.4-37.900113K67Q65-K67 VanDerWaalsContact C-N 3.31Å; Q65-K67 PolarHBondContact O-N 3.35Å
66Q57.4Low69.1Low204 Ų20484.8 Ų84.895%0.95348%0.482SS*.  trans-44.489.9177.5-71.1172-23.100111.2S64 Q68S64-Q66 PolarHBondContact O-N 2.89Å; Q66-Q68 PolarHBondContact O-N 3.39Å
67K74Confident68.7Low48 Ų4888.7 Ų88.721%0.20950%0.504CS..  trans-76.4120.5176.3-174.4178.4174.2-175.90105.9R54 Q65 E69 W263R54-K67 PolarHBondContact O-NZ 3.14Å; Q65-K67 VanDerWaalsContact C-N 3.31Å; Q65-K67 PolarHBondContact O-N 3.35Å; K67-E69 WeakPolarHBondContact O-CG 3.43Å; K67-E69 PolarHBondContact O-N 3.45Å; K67-E69 VanDerWaalsContact O-N 3.14Å; K67-W263 HydrophobicContact CD-CG 4.45Å; K67-W263 HydrophobicContact CG-CG 4.45Å
68Q81.7Confident69.3Low94 Ų9492.2 Ų92.244%0.43952%0.521SS..  trans-61.4119.6175.2-176.6177.38.100109.1Q66 N70 F71Q66-Q68 PolarHBondContact O-N 3.39Å; Q68-N70 WeakPolarHBondContact CG-O 3.31Å; Q68-N70 PolarHBondContact NE2-O 2.9Å; Q68-F71 HydrophobicContact CB-CE1 4.4Å; Q68-F71 HydrophobicContact CB-CZ 4.32Å; Q68-F71 HydrophobicContact CG-CD1 4.44Å; Q68-F71 HydrophobicContact CG-CE1 3.9Å; Q68-F71 HydrophobicContact CG-CZ 4.07Å; Q68-F71 WeakPolarHBondContact O-CE2 3.39Å; Q68-F71 WeakPolarHBondContact O-CZ 3.23Å
69E88.1Confident70.5Confident49 Ų4992.6 Ų92.623%0.22952%0.521CS..  trans-105.3-27.6177-55.1-167.8155.500111.6K67 F71 T86 L87 Q88K67-E69 WeakPolarHBondContact O-CG 3.43Å; K67-E69 PolarHBondContact O-N 3.45Å; K67-E69 VanDerWaalsContact O-N 3.14Å; E69-F71 WeakPolarHBondContact O-CD2 3.46Å; E69-F71 VanDerWaalsContact O-CE2 3.24Å; E69-F71 WeakPolarHBondContact O-CE2 3.25Å; E69-T86 HydrophobicContact CB-CG2 4.23Å; E69-T86 CarbonylContact O-C 3.57Å; E69-T86 VanDerWaalsContact O-CA 3.25Å; E69-T86 WeakPolarHBondContact O-CA 3.45Å; E69-L87 PolarHBondContact O-N 3.26Å; E69-Q88 HydrophobicContact CB-CG 4.48Å; E69-Q88 HydrophobicContact CG-CG 4.43Å; E69-Q88 WeakPolarHBondContact OE2-CG 3.39Å; E69-Q88 PolarHBondContact OE2-NE2 2.95Å
70N92.6Very high72.2Confident92 Ų9291.1 Ų91.149%0.49251%0.507SS..EExtended strand (participates in β ladder)trans-97.3124.8-178.6-64.3-37000111.3Q68 L85 T86Q68-N70 WeakPolarHBondContact CG-O 3.31Å; Q68-N70 PolarHBondContact NE2-O 2.9Å; N70-L85 CarbonylContact C-O 3.59Å; N70-L85 WeakPolarHBondContact CA-O 3.43Å; N70-T86 WeakPolarHBondContact OD1-CG2 3.36Å; N70-T86 PolarHBondContact OD1-OG1 3.25Å
71F94.4Very high74.5Confident0 Ų084.8 Ų84.80%047%0.465CS..EExtended strand (participates in β ladder)trans-123.2125-177-60.6-81.1000109.7Q68 E69 L73 V84 L85 L87 C259 V261Q68-F71 HydrophobicContact CB-CE1 4.4Å; Q68-F71 HydrophobicContact CB-CZ 4.32Å; Q68-F71 HydrophobicContact CG-CD1 4.44Å; Q68-F71 HydrophobicContact CG-CE1 3.9Å; Q68-F71 HydrophobicContact CG-CZ 4.07Å; Q68-F71 WeakPolarHBondContact O-CE2 3.39Å; Q68-F71 WeakPolarHBondContact O-CZ 3.23Å; E69-F71 WeakPolarHBondContact O-CD2 3.46Å; E69-F71 VanDerWaalsContact O-CE2 3.24Å; E69-F71 WeakPolarHBondContact O-CE2 3.25Å; F71-L73 HydrophobicContact CB-CD1 4Å; F71-L73 WeakPolarHBondContact O-CD1 3.43Å; F71-V84 WeakPolarHBondContact O-CA 3.39Å; F71-L85 PolarHBondContact N-O 3.08Å; F71-L85 PolarHBondContact O-N 3.43Å; F71-L87 HydrophobicContact CD2-CB 4.05Å; F71-L87 HydrophobicContact CE2-CB 3.87Å; F71-C259 HydrophobicContact CB-CB 4.43Å; F71-V261 HydrophobicContact CD1-CG2 4.27Å; F71-V261 HydrophobicContact CE1-CB 4.22Å; F71-V261 HydrophobicContact CE1-CG1 4.21Å; F71-V261 HydrophobicContact CE1-CG2 4.01Å; F71-V261 HydrophobicContact CZ-CB 4.33Å; F71-V261 HydrophobicContact CZ-CG1 3.85Å; F71-V261 HydrophobicContact CZ-CG2 4.15Å
72I94Very high76.6Confident94 Ų9485.7 Ų85.748%0.48245%0.446SS..EExtended strand (participates in β ladder)trans-100.3123175.8-56.4173.5000107.8G83 V84I72-G83 CarbonylContact C-O 3.5Å; I72-G83 WeakPolarHBondContact CA-O 3.46Å; I72-V84 HydrophobicContact CG1-CG2 4.47Å
73L93.6Very high78.7Confident1 Ų179.3 Ų79.31%0.00541%0.412CS..EExtended strand (participates in β ladder)trans-114.3141.6179.1-64.974.4000108.5F71 K82 G83 L85 L209 L211 V257 C259F71-L73 HydrophobicContact CB-CD1 4Å; F71-L73 WeakPolarHBondContact O-CD1 3.43Å; L73-K82 CarbonylContact O-C 3.53Å; L73-K82 WeakPolarHBondContact O-CA 3.49Å; L73-G83 PolarHBondContact N-O 3.04Å; L73-G83 PolarHBondContact O-N 3.47Å; L73-L85 HydrophobicContact CD1-CB 4.15Å; L73-L85 HydrophobicContact CD1-CD1 3.6Å; L73-L85 HydrophobicContact CD1-CG 3.79Å; L73-L85 HydrophobicContact CD2-CD1 3.77Å; L73-L85 HydrophobicContact CG-CD1 4.36Å; L73-L209 WeakPolarHBondContact CD2-O 3.34Å; L73-L211 HydrophobicContact CD2-CB 3.75Å; L73-V257 HydrophobicContact CB-CB 4.05Å; L73-V257 HydrophobicContact CB-CG2 3.63Å; L73-V257 HydrophobicContact CD2-CG2 4.25Å; L73-C259 HydrophobicContact CD1-CB 3.92Å; L73-C259 HydrophobicContact CG-CB 3.72Å
74G85.1Confident81.3Confident10 Ų1071.5 Ų71.510%0.10338%0.379CS..  trans70.751.7175.300000113.2D79 V81G74-D79 VanDerWaalsContact C-OD2 3.28Å; G74-D79 WeakPolarHBondContact CA-OD2 3.4Å; G74-V81 WeakPolarHBondContact CA-O 3.47Å
75S77.6Confident83.8Confident102 Ų10269.2 Ų69.271%0.71336%0.363SS*.  trans-88.4-6.6-178.8570000113.6
76S77.9Confident85.9Confident57 Ų5763.6 Ų63.640%0.39934%0.337SS..SBendtrans-70.6144177.6-174.50000110.4M78 D79S76-M78 PolarHBondContact O-N 3.46Å; S76-M78 VanDerWaalsContact O-N 3.16Å; S76-M78 PolarHBondContact OG-N 3.44Å; S76-D79 WeakPolarHBondContact CB-OD2 3.24Å; S76-D79 PolarHBondContact N-OD2 3.02Å; S76-D79 VanDerWaalsContact N-OD2 3.08Å; S76-D79 WeakPolarHBondContact O-CB 3.48Å; S76-D79 PolarHBondContact O-N 2.9Å
77T69.9Low87.6Confident137 Ų13753.9 Ų53.984%0.8429%0.292SS*.THydrogen-bonded Turntrans-62.7-20173.150.30000112.5
78M76.8Confident88.4Confident164 Ų16454.3 Ų54.381%0.80830%0.295SS*.THydrogen-bonded Turntrans-83.2-15.5175.3-54.2-168.987.500113.2S76 Q80S76-M78 PolarHBondContact O-N 3.46Å; S76-M78 VanDerWaalsContact O-N 3.16Å; S76-M78 PolarHBondContact OG-N 3.44Å; M78-Q80 PolarHBondContact O-N 2.84Å
79D82.3Confident88.8Confident57 Ų5750 Ų5031%0.30528%0.275SS..  trans-75.3128.3-179.4-66.4-37.3000110.4G74 S76 V81G74-D79 VanDerWaalsContact C-OD2 3.28Å; G74-D79 WeakPolarHBondContact CA-OD2 3.4Å; S76-D79 WeakPolarHBondContact CB-OD2 3.24Å; S76-D79 PolarHBondContact N-OD2 3.02Å; S76-D79 VanDerWaalsContact N-OD2 3.08Å; S76-D79 WeakPolarHBondContact O-CB 3.48Å; S76-D79 PolarHBondContact O-N 2.9Å; D79-V81 VanDerWaalsContact C-N 3.3Å
80Q88.8Confident88.9Confident69 Ų6948.7 Ų48.732%0.32227%0.269SS..SBendtrans-80.8-15.9174-66.4179.642.200112M78 L99 K100 H255M78-Q80 PolarHBondContact O-N 2.84Å; Q80-L99 CarbonylContact O-C 3.54Å; Q80-L99 WeakPolarHBondContact O-CA 3.43Å; Q80-K100 PolarHBondContact O-N 3.48Å; Q80-H255 PolarHBondContact OE1-CE1 2.87Å; Q80-H255 VanDerWaalsContact OE1-CE1 3.22Å
81V93.1Very high89Confident2 Ų244.7 Ų44.71%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-120.1130.1178.1172.40000109.5G74 D79 I97 N98 L99 L211 V213 H255 V257G74-V81 WeakPolarHBondContact CA-O 3.47Å; D79-V81 VanDerWaalsContact C-N 3.3Å; V81-I97 HydrophobicContact CG1-CG2 4.21Å; V81-N98 CarbonylContact C-O 3.46Å; V81-N98 WeakPolarHBondContact CA-O 3.41Å; V81-L99 HydrophobicContact CG2-CB 4.43Å; V81-L99 HydrophobicContact CG2-CD1 3.37Å; V81-L99 HydrophobicContact CG2-CG 4.48Å; V81-L211 HydrophobicContact CG1-CD2 3.88Å; V81-L211 HydrophobicContact CG1-CG 4.49Å; V81-V213 HydrophobicContact CG1-CG2 3.94Å; V81-V213 HydrophobicContact CG2-CB 4.19Å; V81-V213 HydrophobicContact CG2-CG2 3.99Å; V81-H255 HydrophobicContact CB-CB 4.11Å; V81-H255 HydrophobicContact CG2-CB 3.38Å; V81-V257 HydrophobicContact CB-CG1 4.47Å; V81-V257 HydrophobicContact CG1-CG2 4.1Å
82K94.6Very high89Confident103 Ų10344.7 Ų44.745%0.44825%0.248SC..EExtended strand (participates in β ladder)trans-120.1127.6167.7-178-179.1177-173.80108.9L73 N98L73-K82 CarbonylContact O-C 3.53Å; L73-K82 WeakPolarHBondContact O-CA 3.49Å; K82-N98 PolarHBondContact N-O 3.46Å; K82-N98 PolarHBondContact O-N 3.04Å
83G95.2Very high89Confident0 Ų041.6 Ų41.60%023%0.234CC..EExtended strand (participates in β ladder)trans-118.9136.6176.500000111.4I72 L73 D96I72-G83 CarbonylContact C-O 3.5Å; I72-G83 WeakPolarHBondContact CA-O 3.46Å; L73-G83 PolarHBondContact N-O 3.04Å; L73-G83 PolarHBondContact O-N 3.47Å; G83-D96 CarbonylContact C-O 3.6Å; G83-D96 VanDerWaalsContact CA-O 3.24Å; G83-D96 WeakPolarHBondContact CA-O 3.38Å
84V95.9Very high89Confident46 Ų4647.4 Ų47.428%0.27926%0.261SS..EExtended strand (participates in β ladder)trans-116.8112.2166.1-174.60000107.3F71 I72 A95 D96F71-V84 WeakPolarHBondContact O-CA 3.39Å; I72-V84 HydrophobicContact CG1-CG2 4.47Å; V84-A95 WeakPolarHBondContact O-CA 3.13Å; V84-D96 HydrophobicContact CB-CB 4.3Å; V84-D96 PolarHBondContact N-O 2.72Å; V84-D96 PolarHBondContact O-N 3.31Å
85L96.1Very high89.6Confident0 Ų047 Ų470%026%0.257CS..EExtended strand (participates in β ladder)trans-117.7132.7-170-62-173.7000109.9N70 F71 L73 L92 A95 F202 L209 L211N70-L85 CarbonylContact C-O 3.59Å; N70-L85 WeakPolarHBondContact CA-O 3.43Å; F71-L85 PolarHBondContact N-O 3.08Å; F71-L85 PolarHBondContact O-N 3.43Å; L73-L85 HydrophobicContact CD1-CB 4.15Å; L73-L85 HydrophobicContact CD1-CD1 3.6Å; L73-L85 HydrophobicContact CD1-CG 3.79Å; L73-L85 HydrophobicContact CD2-CD1 3.77Å; L73-L85 HydrophobicContact CG-CD1 4.36Å; L85-L92 HydrophobicContact CB-CD1 3.93Å; L85-L92 HydrophobicContact CD2-CD1 4.46Å; L85-A95 HydrophobicContact CD2-CB 3.33Å; L85-F202 HydrophobicContact CD1-CD1 4Å; L85-F202 HydrophobicContact CD1-CE1 3.72Å; L85-F202 HydrophobicContact CD2-CE1 3.58Å; L85-F202 HydrophobicContact CD2-CZ 3.95Å; L85-F202 HydrophobicContact CG-CE1 4.34Å; L85-L209 HydrophobicContact CB-CD2 3.99Å; L85-L209 HydrophobicContact CD1-CD2 3.54Å; L85-L209 HydrophobicContact CD1-CG 3.91Å; L85-L209 HydrophobicContact CG-CD2 4.42Å; L85-L211 HydrophobicContact CD1-CB 4.48Å
86T94.9Very high90.4Very high6 Ų644.7 Ų44.74%0.03724%0.236CC..EExtended strand (participates in β ladder)trans-108107.3173.8-540000109.5E69 N70 Q88 L92 T93 Q94E69-T86 HydrophobicContact CB-CG2 4.23Å; E69-T86 CarbonylContact O-C 3.57Å; E69-T86 VanDerWaalsContact O-CA 3.25Å; E69-T86 WeakPolarHBondContact O-CA 3.45Å; N70-T86 WeakPolarHBondContact OD1-CG2 3.36Å; N70-T86 PolarHBondContact OD1-OG1 3.25Å; T86-Q88 HydrophobicContact CG2-CG 4.36Å; T86-L92 WeakPolarHBondContact O-CA 3.34Å; T86-T93 WeakPolarHBondContact CG2-OG1 3.46Å; T86-T93 PolarHBondContact O-N 2.93Å; T86-T93 PolarHBondContact O-OG1 3.48Å; T86-Q94 PolarHBondContact N-O 3.4Å; T86-Q94 PolarHBondContact OG1-OE1 3.31Å
87L94.1Very high91.2Very high0 Ų042 Ų420%022%0.218CC..EExtended strand (participates in β ladder)trans-106112.1-179.217765000110.4E69 F71 L92 L120 I123 V261 W263E69-L87 PolarHBondContact O-N 3.26Å; F71-L87 HydrophobicContact CD2-CB 4.05Å; F71-L87 HydrophobicContact CE2-CB 3.87Å; L87-L92 HydrophobicContact CB-CD1 4.46Å; L87-L120 HydrophobicContact CD1-CD1 3.84Å; L87-I123 HydrophobicContact CD1-CD1 4.13Å; L87-I123 HydrophobicContact CD2-CD1 4.14Å; L87-V261 HydrophobicContact CD2-CG1 4.3Å; L87-V261 HydrophobicContact CD2-CG2 4.3Å; L87-W263 HydrophobicContact CD2-CZ2 3.86Å; L87-W263 HydrophobicContact CG-CZ2 4.31Å
88Q90.8Very high92.4Very high58 Ų5837.7 Ų37.727%0.27119%0.19SC..EExtended strand (participates in β ladder)trans-113.399-179.1-82.3-174.30.200109.8M57 E69 T86 E90 A91 T93M57-Q88 HydrophobicContact CE-CB 3.58Å; M57-Q88 HydrophobicContact CE-CG 3.79Å; M57-Q88 HydrophobicContact SD-CB 3.62Å; M57-Q88 HydrophobicContact SD-CG 4.35Å; E69-Q88 HydrophobicContact CB-CG 4.48Å; E69-Q88 HydrophobicContact CG-CG 4.43Å; E69-Q88 WeakPolarHBondContact OE2-CG 3.39Å; E69-Q88 PolarHBondContact OE2-NE2 2.95Å; T86-Q88 HydrophobicContact CG2-CG 4.36Å; Q88-E90 PolarHBondContact O-N 3.11Å; Q88-E90 VanDerWaalsContact O-N 3.08Å; Q88-A91 PolarHBondContact N-O 3.11Å; Q88-A91 PolarHBondContact O-N 3.24Å; Q88-T93 HydrophobicContact CB-CG2 4.02Å; Q88-T93 HydrophobicContact CG-CG2 4.46Å
89G89.4Confident93.2Very high3 Ų329.9 Ų29.93%0.03115%0.151CC..THydrogen-bonded Turntrans61.5-112-173.700000111.1
90E90.8Very high93.5Very high22 Ų2232.7 Ų32.710%0.10316%0.161CC..THydrogen-bonded Turntrans-95.7-7.6176.370.5-165-169.800114Q88 L120 I123 Q124 R127Q88-E90 PolarHBondContact O-N 3.11Å; Q88-E90 VanDerWaalsContact O-N 3.08Å; E90-L120 PolarHBondContact O-N 3.26Å; E90-I123 HydrophobicContact CB-CB 4.02Å; E90-I123 HydrophobicContact CB-CG2 3.81Å; E90-Q124 HydrophobicContact CB-CB 4.5Å; E90-Q124 VanDerWaalsContact OE2-CA 3.31Å; E90-Q124 WeakPolarHBondContact OE2-CA 3.48Å; E90-Q124 VanDerWaalsContact OE2-CB 3.29Å; E90-Q124 WeakPolarHBondContact OE2-CB 3.48Å; E90-Q124 WeakPolarHBondContact OE2-CG 3.34Å; E90-R127 VanDerWaalsContact CD-NH2 3.31Å; E90-R127 IonicContact OE1-CZ 3.34Å; E90-R127 IonicContact OE1-NH1 2.56Å; E90-R127 IonicContact OE1-NH2 2.69Å; E90-R127 PolarHBondContact OE1-NH2 2.86Å; E90-R127 VanDerWaalsContact OE1-NH2 3.12Å; E90-R127 IonicContact OE2-CZ 2.62Å; E90-R127 IonicContact OE2-NE 3.1Å; E90-R127 IonicContact OE2-NH1 3.04Å; E90-R127 PolarHBondContact OE2-NH1 3.15Å; E90-R127 VanDerWaalsContact OE2-NH1 3.16Å; E90-R127 IonicContact OE2-NH2 3.61Å; E90-R127 PolarHBondContact OE2-NH2 2.84Å
91A93.5Very high93.2Very high7 Ų731.2 Ų31.26%0.05816%0.156CC..EExtended strand (participates in β ladder)trans-103.8124.9-174.300000111.2Q88 T93 Q117Q88-A91 PolarHBondContact N-O 3.11Å; Q88-A91 PolarHBondContact O-N 3.24Å; A91-T93 HydrophobicContact CB-CG2 4.29Å; A91-T93 PolarHBondContact O-N 3.37Å; A91-Q117 HydrophobicContact CB-CB 4.38Å; A91-Q117 VanDerWaalsContact CB-OE1 3.27Å
92L95Very high92.1Very high0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-81.1103.3163.8-170.569.3000107.2L85 T86 L87 A95 F112 W118 F202L85-L92 HydrophobicContact CB-CD1 3.93Å; L85-L92 HydrophobicContact CD2-CD1 4.46Å; T86-L92 WeakPolarHBondContact O-CA 3.34Å; L87-L92 HydrophobicContact CB-CD1 4.46Å; L92-A95 HydrophobicContact CD2-CB 4.19Å; L92-F112 HydrophobicContact CB-CE2 4.16Å; L92-F112 HydrophobicContact CD2-CE2 3.77Å; L92-F112 HydrophobicContact CD2-CZ 3.74Å; L92-F112 HydrophobicContact CG-CE2 3.79Å; L92-F112 HydrophobicContact CG-CZ 4.29Å; L92-F112 WeakPolarHBondContact O-CE2 3.38Å; L92-W118 HydrophobicContact CB-CB 4.33Å; L92-W118 WeakPolarHBondContact CB-O 3.39Å; L92-W118 PolarHBondContact N-O 2.88Å; L92-W118 PolarHBondContact O-N 2.88Å; L92-F202 HydrophobicContact CD2-CB 4.44Å; L92-F202 HydrophobicContact CD2-CD1 4.03Å; L92-F202 HydrophobicContact CD2-CD2 3.71Å; L92-F202 HydrophobicContact CD2-CE1 4.1Å; L92-F202 HydrophobicContact CD2-CE2 3.8Å; L92-F202 HydrophobicContact CD2-CG 3.81Å; L92-F202 HydrophobicContact CD2-CZ 3.97Å
93T93.8Very high91Very high30 Ų3038.6 Ų38.618%0.18420%0.2CC..EExtended strand (participates in β ladder)trans-89.5-29.7-173.853.10000112.1T86 Q88 A91 Q117T86-T93 WeakPolarHBondContact CG2-OG1 3.46Å; T86-T93 PolarHBondContact O-N 2.93Å; T86-T93 PolarHBondContact O-OG1 3.48Å; Q88-T93 HydrophobicContact CB-CG2 4.02Å; Q88-T93 HydrophobicContact CG-CG2 4.46Å; A91-T93 HydrophobicContact CB-CG2 4.29Å; A91-T93 PolarHBondContact O-N 3.37Å; T93-Q117 HydrophobicContact CG2-CB 4.41Å
94Q94.3Very high89.8Confident122 Ų12241.2 Ų41.257%0.5722%0.218SC*.EExtended strand (participates in β ladder)trans-135.7144.8174-54.9179.6-600109.9T86T86-Q94 PolarHBondContact N-O 3.4Å; T86-Q94 PolarHBondContact OG1-OE1 3.31Å
95A96.3Very high88.7Confident2 Ų245.2 Ų45.22%0.01725%0.248CC..EExtended strand (participates in β ladder)trans-148.8107.3170.500000109.1V84 L85 L92 Q111 F112 F202V84-A95 WeakPolarHBondContact O-CA 3.13Å; L85-A95 HydrophobicContact CD2-CB 3.33Å; L92-A95 HydrophobicContact CD2-CB 4.19Å; A95-Q111 CarbonylContact O-C 3.49Å; A95-Q111 WeakPolarHBondContact O-CA 3.49Å; A95-F112 HydrophobicContact CB-CD1 3.68Å; A95-F112 HydrophobicContact CB-CD2 3.97Å; A95-F112 HydrophobicContact CB-CE1 3.68Å; A95-F112 HydrophobicContact CB-CE2 3.96Å; A95-F112 HydrophobicContact CB-CG 3.83Å; A95-F112 HydrophobicContact CB-CZ 3.82Å; A95-F112 PolarHBondContact O-N 3.5Å; A95-F202 HydrophobicContact CB-CE2 4.33Å; A95-F202 HydrophobicContact CB-CZ 3.76Å
96D95.1Very high88Confident53 Ų5350.7 Ų50.728%0.28327%0.274SS..EExtended strand (participates in β ladder)trans-100.5121.2172.4175.5-20.4000108.2G83 V84 N98 H109G83-D96 CarbonylContact C-O 3.6Å; G83-D96 VanDerWaalsContact CA-O 3.24Å; G83-D96 WeakPolarHBondContact CA-O 3.38Å; V84-D96 HydrophobicContact CB-CB 4.3Å; V84-D96 PolarHBondContact N-O 2.72Å; V84-D96 PolarHBondContact O-N 3.31Å; D96-N98 PolarHBondContact OD1-ND2 2.8Å; D96-H109 VanDerWaalsContact CG-CE1 3.5Å; D96-H109 IonicContact OD1-CE1 3.94Å; D96-H109 PolarHBondContact OD1-CE1 3.45Å; D96-H109 IonicContact OD1-ND1 2.81Å; D96-H109 PolarHBondContact OD1-ND1 3.26Å; D96-H109 IonicContact OD2-CE1 3.3Å
97I95.6Very high87.7Confident1 Ų154.1 Ų54.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-123.9127.3-176.9-56.1173.7000109V81 H109 F110 F190 V200 F202 L211 V213V81-I97 HydrophobicContact CG1-CG2 4.21Å; I97-H109 WeakPolarHBondContact O-CA 3.38Å; I97-F110 PolarHBondContact N-O 3.22Å; I97-F110 PolarHBondContact O-N 3.23Å; I97-F190 HydrophobicContact CD1-CE1 3.72Å; I97-F190 HydrophobicContact CD1-CZ 3.96Å; I97-F190 HydrophobicContact CG1-CE1 4.5Å; I97-V200 HydrophobicContact CD1-CG1 3.78Å; I97-V200 HydrophobicContact CD1-CG2 4.07Å; I97-F202 HydrophobicContact CD1-CZ 3.89Å; I97-L211 HydrophobicContact CD1-CD1 3.78Å; I97-L211 HydrophobicContact CD1-CD2 4.26Å; I97-L211 HydrophobicContact CG1-CD1 4.48Å; I97-L211 HydrophobicContact CG1-CD2 4.07Å; I97-L211 HydrophobicContact CG2-CD2 4.32Å; I97-V213 HydrophobicContact CG2-CG2 4.35Å
98N94Very high87.5Confident47 Ų4755.8 Ų55.825%0.25130%0.304SS..EExtended strand (participates in β ladder)trans-116.7120.3173.4-61.3-80.2000109V81 K82 D96 V107 L108 H109V81-N98 CarbonylContact C-O 3.46Å; V81-N98 WeakPolarHBondContact CA-O 3.41Å; K82-N98 PolarHBondContact N-O 3.46Å; K82-N98 PolarHBondContact O-N 3.04Å; D96-N98 PolarHBondContact OD1-ND2 2.8Å; N98-V107 HydrophobicContact CB-CG1 4.34Å; N98-L108 CarbonylContact C-O 3.55Å; N98-L108 WeakPolarHBondContact CA-O 3.42Å; N98-H109 PolarHBondContact OD1-ND1 3.05Å
99L93.2Very high87.6Confident0 Ų056.4 Ų56.40%031%0.306CS..EExtended strand (participates in β ladder)trans-116.2116.9-179.517166.6000109.7Q80 V81 V107 L108 V198 V213 Q215Q80-L99 CarbonylContact O-C 3.54Å; Q80-L99 WeakPolarHBondContact O-CA 3.43Å; V81-L99 HydrophobicContact CG2-CB 4.43Å; V81-L99 HydrophobicContact CG2-CD1 3.37Å; V81-L99 HydrophobicContact CG2-CG 4.48Å; L99-V107 WeakPolarHBondContact O-CA 3.43Å; L99-L108 HydrophobicContact CB-CB 4.36Å; L99-L108 HydrophobicContact CD2-CD1 4.23Å; L99-L108 PolarHBondContact N-O 3.01Å; L99-L108 PolarHBondContact O-N 3.17Å; L99-V198 HydrophobicContact CD2-CG1 4.49Å; L99-V198 HydrophobicContact CD2-CG2 4.47Å; L99-V213 HydrophobicContact CD2-CG1 4Å; L99-Q215 HydrophobicContact CD2-CG 4.33Å
100K89.8Confident87.8Confident115 Ų11556.5 Ų56.550%0.531%0.306SS..EExtended strand (participates in β ladder)trans-84.5124.4170.7-62.4178.1-179172.10109Q80 V107Q80-K100 PolarHBondContact O-N 3.48Å; K100-V107 HydrophobicContact CG-CG2 4.19Å
101V82Confident88Confident38 Ų3859.3 Ų59.323%0.2332%0.319CS..  trans-85.8118-179.3-179.30000109.5K103 S104 Q106 L108V101-K103 PolarHBondContact O-N 2.66Å; V101-S104 PolarHBondContact O-N 3.32Å; V101-Q106 PolarHBondContact N-O 2.93Å; V101-L108 HydrophobicContact CG2-CD1 3.98Å; V101-L108 HydrophobicContact CG2-CG 4.2Å
102A70.8Confident88.2Confident63 Ų6359.5 Ų59.552%0.52132%0.318SS..THydrogen-bonded Turntrans-52.6-22.8-171.200000116.5
103K70.6Confident88.1Confident197 Ų19764 Ų6486%0.85734%0.336SS*.THydrogen-bonded Turntrans-111.56.4-177.3-61.4-175.8-178.61790114V101V101-K103 PolarHBondContact O-N 2.66Å
104S70.3Confident87.7Confident56 Ų5672.2 Ų72.239%0.39237%0.372SS..SBendtrans-140.8147.2-176.8175.90000110.1V101 Q106V101-S104 PolarHBondContact O-N 3.32Å; S104-Q106 PolarHBondContact O-N 3.05Å; S104-Q106 WeakPolarHBondContact OG-CB 3.44Å; S104-Q106 PolarHBondContact OG-N 3.46Å
105S72.8Confident87.3Confident129 Ų12971.7 Ų71.790%0.90237%0.373SS*.SBendtrans-71.2-2168.3550000112.6
106Q82.3Confident86.9Confident115 Ų11574.8 Ų74.854%0.53739%0.386SS..  trans-70.9132.4178.8-169.4174.95.800111.7V101 S104 L108V101-Q106 PolarHBondContact N-O 2.93Å; S104-Q106 PolarHBondContact O-N 3.05Å; S104-Q106 WeakPolarHBondContact OG-CB 3.44Å; S104-Q106 PolarHBondContact OG-N 3.46Å; Q106-L108 HydrophobicContact CG-CD2 4.43Å
107V86.6Confident86.8Confident79 Ų7977.4 Ų77.448%0.47940%0.396SS..EExtended strand (participates in β ladder)trans-108.2124.5169.1-176.80000107.6N98 L99 K100N98-V107 HydrophobicContact CB-CG1 4.34Å; L99-V107 WeakPolarHBondContact O-CA 3.43Å; K100-V107 HydrophobicContact CG-CG2 4.19Å
108L90.4Very high86.8Confident35 Ų3580.4 Ų80.418%0.18341%0.408CS..EExtended strand (participates in β ladder)trans-90.1132.2172.4-62.5173.3000108.7N98 L99 V101 Q106 F110N98-L108 CarbonylContact C-O 3.55Å; N98-L108 WeakPolarHBondContact CA-O 3.42Å; L99-L108 HydrophobicContact CB-CB 4.36Å; L99-L108 HydrophobicContact CD2-CD1 4.23Å; L99-L108 PolarHBondContact N-O 3.01Å; L99-L108 PolarHBondContact O-N 3.17Å; V101-L108 HydrophobicContact CG2-CD1 3.98Å; V101-L108 HydrophobicContact CG2-CG 4.2Å; Q106-L108 HydrophobicContact CG-CD2 4.43Å; L108-F110 HydrophobicContact CB-CE1 4.45Å; L108-F110 HydrophobicContact CB-CE2 3.69Å; L108-F110 HydrophobicContact CB-CZ 3.57Å; L108-F110 HydrophobicContact CD1-CZ 4.12Å; L108-F110 HydrophobicContact CG-CZ 4.31Å
109H93.9Very high86.9Confident70 Ų7083 Ų8332%0.32442%0.417SS..EExtended strand (participates in β ladder)trans-121.7129.3-179.7173.379.2000109.6D96 I97 N98D96-H109 VanDerWaalsContact CG-CE1 3.5Å; D96-H109 IonicContact OD1-CE1 3.94Å; D96-H109 PolarHBondContact OD1-CE1 3.45Å; D96-H109 IonicContact OD1-ND1 2.81Å; D96-H109 PolarHBondContact OD1-ND1 3.26Å; D96-H109 IonicContact OD2-CE1 3.3Å; I97-H109 WeakPolarHBondContact O-CA 3.38Å; N98-H109 PolarHBondContact OD1-ND1 3.05Å
110F93.6Very high87Confident6 Ų683.2 Ų83.23%0.02642%0.418CS..EExtended strand (participates in β ladder)trans-135.7131.6178.7-45.5-71.7000109.1I97 L108 F190 P192 M194 P195I97-F110 PolarHBondContact N-O 3.22Å; I97-F110 PolarHBondContact O-N 3.23Å; L108-F110 HydrophobicContact CB-CE1 4.45Å; L108-F110 HydrophobicContact CB-CE2 3.69Å; L108-F110 HydrophobicContact CB-CZ 3.57Å; L108-F110 HydrophobicContact CD1-CZ 4.12Å; L108-F110 HydrophobicContact CG-CZ 4.31Å; F110-F190 HydrophobicContact CB-CB 4.5Å; F110-F190 HydrophobicContact CB-CD1 3.76Å; F110-F190 HydrophobicContact CB-CE1 4.36Å; F110-F190 HydrophobicContact CB-CG 4.38Å; F110-P192 HydrophobicContact CD1-CG 4.45Å; F110-M194 HydrophobicContact CE1-SD 4.49Å; F110-M194 HydrophobicContact CE2-SD 4.49Å; F110-M194 HydrophobicContact CG-CE 4.41Å; F110-M194 HydrophobicContact CZ-SD 4.44Å; F110-P195 HydrophobicContact CE1-CG 3.61Å; F110-P195 HydrophobicContact CZ-CG 3.75Å
111Q95.1Very high87.2Confident81 Ų8182.3 Ų82.338%0.37942%0.415SS..EExtended strand (participates in β ladder)trans-128153.7174.361.4174.98.500111.8A95 F190 T191A95-Q111 CarbonylContact O-C 3.49Å; A95-Q111 WeakPolarHBondContact O-CA 3.49Å; Q111-F190 CarbonylContact O-C 3.57Å; Q111-F190 WeakPolarHBondContact O-CA 3.32Å; Q111-T191 HydrophobicContact CG-CG2 3.83Å; Q111-T191 VanDerWaalsContact CG-O 3.29Å; Q111-T191 WeakPolarHBondContact CG-O 3.16Å; Q111-T191 PolarHBondContact N-O 3.29Å; Q111-T191 PolarHBondContact O-N 3.08Å
112F96.2Very high87.9Confident11 Ų1181.3 Ų81.35%0.04841%0.408CS..EExtended strand (participates in β ladder)trans-58.7145.2168.1-82.46.9000111.3L92 A95 W118 L186 M189 F190 F202L92-F112 HydrophobicContact CB-CE2 4.16Å; L92-F112 HydrophobicContact CD2-CE2 3.77Å; L92-F112 HydrophobicContact CD2-CZ 3.74Å; L92-F112 HydrophobicContact CG-CE2 3.79Å; L92-F112 HydrophobicContact CG-CZ 4.29Å; L92-F112 WeakPolarHBondContact O-CE2 3.38Å; A95-F112 HydrophobicContact CB-CD1 3.68Å; A95-F112 HydrophobicContact CB-CD2 3.97Å; A95-F112 HydrophobicContact CB-CE1 3.68Å; A95-F112 HydrophobicContact CB-CE2 3.96Å; A95-F112 HydrophobicContact CB-CG 3.83Å; A95-F112 HydrophobicContact CB-CZ 3.82Å; A95-F112 PolarHBondContact O-N 3.5Å; F112-W118 HydrophobicContact CE2-CB 3.79Å; F112-W118 HydrophobicContact CZ-CB 3.85Å; F112-L186 HydrophobicContact CE1-CD1 3.98Å; F112-L186 HydrophobicContact CZ-CD1 3.89Å; F112-M189 CarbonylContact C-O 3.6Å; F112-M189 WeakPolarHBondContact CA-O 3.4Å; F112-M189 HydrophobicContact CD1-CB 3.93Å; F112-M189 HydrophobicContact CD2-CE 4.22Å; F112-M189 HydrophobicContact CE1-CB 3.84Å; F112-M189 HydrophobicContact CE2-CE 4.2Å; F112-M189 HydrophobicContact CZ-CB 4.4Å; F112-F190 AromaticContact CD1-CD1 3.96Å; F112-F190 HydrophobicContact CD1-CD1 3.96Å; F112-F190 AromaticContact CD1-CE1 3.68Å; F112-F190 HydrophobicContact CD1-CE1 3.68Å; F112-F190 HydrophobicContact CD1-CZ 4.01Å; F112-F190 HydrophobicContact CE1-CD1 4.33Å; F112-F190 AromaticContact CE1-CE1 3.7Å; F112-F190 HydrophobicContact CE1-CE1 3.7Å; F112-F190 HydrophobicContact CE1-CE2 4.04Å; F112-F190 AromaticContact CE1-CZ 3.54Å; F112-F190 HydrophobicContact CE1-CZ 3.54Å; F112-F202 AromaticContact CE1-CE2 3.87Å; F112-F202 HydrophobicContact CE1-CE2 3.87Å; F112-F202 HydrophobicContact CE1-CZ 4.48Å; F112-F202 HydrophobicContact CZ-CD2 4.37Å; F112-F202 AromaticContact CZ-CE2 3.77Å; F112-F202 HydrophobicContact CZ-CE2 3.77Å; F112-F202 HydrophobicContact CZ-CZ 4.5Å
113R93.5Very high89.1Confident95 Ų9578.4 Ų78.436%0.35838%0.384SS..  trans-67.2139.7168.4-63.2165.449.7146.42.2109.6D115 K116 M189 T191R113-D115 WeakPolarHBondContact CB-OD1 3.48Å; R113-D115 IonicContact CZ-OD1 3.11Å; R113-D115 IonicContact CZ-OD2 3.57Å; R113-D115 IonicContact NE-OD1 2.89Å; R113-D115 PolarHBondContact NE-OD1 3.09Å; R113-D115 IonicContact NE-OD2 2.96Å; R113-D115 IonicContact NH2-OD1 2.63Å; R113-D115 PolarHBondContact NH2-OD1 2.68Å; R113-D115 IonicContact NH2-OD2 3.3Å; R113-D115 PolarHBondContact NH2-OD2 3.07Å; R113-D115 PolarHBondContact O-N 2.93Å; R113-D115 VanDerWaalsContact O-N 3.1Å; R113-K116 PolarHBondContact O-N 3.13Å; R113-K116 VanDerWaalsContact O-N 3.14Å; R113-M189 WeakPolarHBondContact CG-O 3.26Å; R113-M189 PolarHBondContact N-O 3.38Å; R113-T191 HydrophobicContact CG-CG2 4.2Å
114E84.7Confident90.3Very high201 Ų20171.2 Ų71.294%0.93935%0.353SS*.THydrogen-bonded Turntrans-59.3-25.5-177.5-61.7-179.4176.600113.6
115D86.8Confident91.6Very high111 Ų11170 Ų7059%0.59434%0.343SS*.THydrogen-bonded Turntrans-88.1-1.4-17767.1-40.1000114.4R113R113-D115 WeakPolarHBondContact CB-OD1 3.48Å; R113-D115 IonicContact CZ-OD1 3.11Å; R113-D115 IonicContact CZ-OD2 3.57Å; R113-D115 IonicContact NE-OD1 2.89Å; R113-D115 PolarHBondContact NE-OD1 3.09Å; R113-D115 IonicContact NE-OD2 2.96Å; R113-D115 IonicContact NH2-OD1 2.63Å; R113-D115 PolarHBondContact NH2-OD1 2.68Å; R113-D115 IonicContact NH2-OD2 3.3Å; R113-D115 PolarHBondContact NH2-OD2 3.07Å; R113-D115 PolarHBondContact O-N 2.93Å; R113-D115 VanDerWaalsContact O-N 3.1Å
116K88.6Confident92.7Very high68 Ų6863.9 Ų63.930%0.29630%0.3SS..  trans-128.7146.9-172.4-59.9-167.5-179.8179.10113.3R113 K188 M189R113-K116 PolarHBondContact O-N 3.13Å; R113-K116 VanDerWaalsContact O-N 3.14Å; K116-K188 PolarHBondContact NZ-O 3.23Å; K116-M189 HydrophobicContact CB-CE 3.3Å; K116-M189 HydrophobicContact CB-SD 3.7Å; K116-M189 HydrophobicContact CD-CE 4.33Å; K116-M189 HydrophobicContact CD-SD 3.58Å; K116-M189 VanDerWaalsContact CD-SD 3.58Å; K116-M189 HydrophobicContact CG-CE 4.47Å; K116-M189 HydrophobicContact CG-SD 4.3Å
117Q92.8Very high93.4Very high107 Ų10761.4 Ų61.450%0.529%0.285SS..  trans-127.1143.4171.958.5-178.4-23.200110.4A91 T93 M189A91-Q117 HydrophobicContact CB-CB 4.38Å; A91-Q117 VanDerWaalsContact CB-OE1 3.27Å; T93-Q117 HydrophobicContact CG2-CB 4.41Å; Q117-M189 VanDerWaalsContact C-CE 3.44Å
118W95.5Very high93.9Very high65 Ų6561.2 Ų61.225%0.24628%0.281CS..EExtended strand (participates in β ladder)trans-104.1118.8177.1-177.3-106.4000110.3L92 F112 L186 M189L92-W118 HydrophobicContact CB-CB 4.33Å; L92-W118 WeakPolarHBondContact CB-O 3.39Å; L92-W118 PolarHBondContact N-O 2.88Å; L92-W118 PolarHBondContact O-N 2.88Å; F112-W118 HydrophobicContact CE2-CB 3.79Å; F112-W118 HydrophobicContact CZ-CB 3.85Å; W118-L186 HydrophobicContact CB-CD1 4.46Å; W118-L186 HydrophobicContact CD2-CB 4.31Å; W118-L186 HydrophobicContact CD2-CD1 3.92Å; W118-L186 HydrophobicContact CE3-CB 4.27Å; W118-L186 HydrophobicContact CE3-CD1 4.35Å; W118-L186 HydrophobicContact CG-CD1 3.95Å; W118-L186 HydrophobicContact CH2-CB 3.98Å; W118-L186 HydrophobicContact CZ2-CB 4.01Å; W118-L186 HydrophobicContact CZ3-CB 4.12Å; W118-M189 HydrophobicContact CB-CE 4.1Å; W118-M189 HydrophobicContact CE3-CG 4.26Å; W118-M189 HydrophobicContact CE3-SD 4.48Å
119K95.1Very high94.3Very high101 Ų10161.5 Ų61.544%0.43928%0.282SS..EExtended strand (participates in β ladder)trans-85.2128.1-180-66.2-172179.4-171.30111.1Q121K119-Q121 PolarHBondContact O-N 3.39Å
120L95.7Very high94.4Very high5 Ų558.1 Ų58.13%0.02627%0.266CS..  trans-84.8100.1173-63.6178.3000109.3L87 E90 Q122 I123 Q124 F202 I204 L209L87-L120 HydrophobicContact CD1-CD1 3.84Å; E90-L120 PolarHBondContact O-N 3.26Å; L120-Q122 PolarHBondContact O-N 3.47Å; L120-Q122 VanDerWaalsContact O-N 3.08Å; L120-I123 HydrophobicContact CB-CD1 4.03Å; L120-I123 HydrophobicContact CB-CG1 4.14Å; L120-I123 HydrophobicContact CD1-CD1 3.79Å; L120-I123 PolarHBondContact O-N 2.99Å; L120-Q124 PolarHBondContact O-N 3.34Å; L120-F202 HydrophobicContact CD2-CB 4.23Å; L120-I204 HydrophobicContact CD1-CD1 3.99Å; L120-I204 HydrophobicContact CD1-CG1 4.18Å; L120-L209 HydrophobicContact CD1-CD1 4.09Å
121Q94.9Very high94.5Very high96 Ų9660.7 Ų60.745%0.44928%0.28SS..Hα-helixtrans-53-34.6-177.4-165.361.552.300112.9K119 I123 Q124 D125K119-Q121 PolarHBondContact O-N 3.39Å; Q121-I123 VanDerWaalsContact C-N 3.32Å; Q121-I123 PolarHBondContact O-N 2.96Å; Q121-Q124 PolarHBondContact O-N 3.26Å; Q121-D125 PolarHBondContact NE2-OD1 3.06Å; Q121-D125 WeakPolarHBondContact O-CB 3.4Å; Q121-D125 PolarHBondContact O-N 3.14Å
122Q95.8Very high94.6Very high17 Ų1760.8 Ų60.88%0.07928%0.281CS..Hα-helixtrans-57.1-43.2177.2-67.1177.4-91.300112.8L120 A126 R169 I204L120-Q122 PolarHBondContact O-N 3.47Å; L120-Q122 VanDerWaalsContact O-N 3.08Å; Q122-A126 VanDerWaalsContact O-CB 3.3Å; Q122-A126 WeakPolarHBondContact O-CB 3.4Å; Q122-A126 PolarHBondContact O-N 3.47Å; Q122-R169 WeakPolarHBondContact CB-O 3.43Å; Q122-R169 WeakPolarHBondContact CG-O 3.41Å; Q122-R169 PolarHBondContact NE2-O 2.91Å; Q122-I204 PolarHBondContact NE2-O 3.09Å; Q122-I204 PolarHBondContact OE1-O 3.28Å
123I96Very high94.7Very high1 Ų160.3 Ų60.31%0.00528%0.279CS..Hα-helixtrans-72.6-43.1-178.9-59.6180000109.7F55 L87 E90 L120 Q121 A126 R127 L170 I204 W263 L264F55-I123 HydrophobicContact CD1-CG2 3.6Å; F55-I123 HydrophobicContact CE1-CG2 3.82Å; L87-I123 HydrophobicContact CD1-CD1 4.13Å; L87-I123 HydrophobicContact CD2-CD1 4.14Å; E90-I123 HydrophobicContact CB-CB 4.02Å; E90-I123 HydrophobicContact CB-CG2 3.81Å; L120-I123 HydrophobicContact CB-CD1 4.03Å; L120-I123 HydrophobicContact CB-CG1 4.14Å; L120-I123 HydrophobicContact CD1-CD1 3.79Å; L120-I123 PolarHBondContact O-N 2.99Å; Q121-I123 VanDerWaalsContact C-N 3.32Å; Q121-I123 PolarHBondContact O-N 2.96Å; I123-A126 PolarHBondContact O-N 3.21Å; I123-R127 WeakPolarHBondContact O-CB 3.48Å; I123-R127 PolarHBondContact O-N 3.43Å; I123-L170 HydrophobicContact CG1-CD2 4.33Å; I123-I204 HydrophobicContact CD1-CD1 4.23Å; I123-I204 HydrophobicContact CD1-CG1 4.04Å; I123-I204 HydrophobicContact CG1-CG1 3.99Å; I123-W263 HydrophobicContact CD1-CH2 4.08Å; I123-W263 HydrophobicContact CD1-CZ2 4.46Å; I123-W263 HydrophobicContact CG2-CH2 3.95Å; I123-L264 HydrophobicContact CD1-CD1 4.49Å
124Q95.7Very high94.8Very high47 Ų4756.7 Ų56.722%0.2227%0.266CS..Hα-helixtrans-60-48177.1-174.2-178.424.800111.6E90 L120 Q121 R127 N128E90-Q124 HydrophobicContact CB-CB 4.5Å; E90-Q124 VanDerWaalsContact OE2-CA 3.31Å; E90-Q124 WeakPolarHBondContact OE2-CA 3.48Å; E90-Q124 VanDerWaalsContact OE2-CB 3.29Å; E90-Q124 WeakPolarHBondContact OE2-CB 3.48Å; E90-Q124 WeakPolarHBondContact OE2-CG 3.34Å; L120-Q124 PolarHBondContact O-N 3.34Å; Q121-Q124 PolarHBondContact O-N 3.26Å; Q124-R127 WeakPolarHBondContact O-CB 3.44Å; Q124-R127 PolarHBondContact O-N 3.04Å; Q124-N128 PolarHBondContact O-N 3.04Å; Q124-N128 PolarHBondContact O-ND2 3.25Å; Q124-N128 PolarHBondContact O-OD1 3.06Å
125D96.6Very high95.3Very high31 Ų3152.5 Ų52.517%0.16625%0.25CC..Hα-helixtrans-67-39.4-179.3-65.3-17.6000111.8Q121 R127 N128 H129 R169Q121-D125 PolarHBondContact NE2-OD1 3.06Å; Q121-D125 WeakPolarHBondContact O-CB 3.4Å; Q121-D125 PolarHBondContact O-N 3.14Å; D125-R127 VanDerWaalsContact C-N 3.35Å; D125-N128 PolarHBondContact O-N 3.33Å; D125-H129 PolarHBondContact O-CD2 2.97Å; D125-H129 PolarHBondContact O-N 3.05Å; D125-R169 HydrophobicContact CB-CB 4.38Å; D125-R169 HydrophobicContact CB-CG 3.81Å; D125-R169 IonicContact OD2-CZ 3.09Å; D125-R169 IonicContact OD2-NE 3.72Å; D125-R169 PolarHBondContact OD2-NE 3.38Å; D125-R169 IonicContact OD2-NH2 3.84Å; D125-R169 PolarHBondContact OD2-NH2 3.13Å
126A97.6Very high95.7Very high0 Ų049.1 Ų49.10%023%0.231CC..Hα-helixtrans-59.7-46.6173.800000111.2F55 Q122 I123 N128 H129 V130 A166 R169 L170F55-A126 HydrophobicContact CE1-CB 4.07Å; F55-A126 HydrophobicContact CZ-CB 3.93Å; Q122-A126 VanDerWaalsContact O-CB 3.3Å; Q122-A126 WeakPolarHBondContact O-CB 3.4Å; Q122-A126 PolarHBondContact O-N 3.47Å; I123-A126 PolarHBondContact O-N 3.21Å; A126-N128 VanDerWaalsContact C-N 3.32Å; A126-N128 PolarHBondContact O-N 3.38Å; A126-H129 PolarHBondContact O-N 3.35Å; A126-V130 WeakPolarHBondContact O-CG2 3.49Å; A126-V130 PolarHBondContact O-N 2.88Å; A126-A166 HydrophobicContact CB-CB 4.45Å; A126-R169 HydrophobicContact CB-CB 4.4Å; A126-L170 HydrophobicContact CB-CD1 4.1Å; A126-L170 HydrophobicContact CB-CD2 3.8Å; A126-L170 HydrophobicContact CB-CG 3.74Å
127R96.3Very high95.8Very high63 Ų6345.9 Ų45.924%0.23822%0.218CC..Hα-helixtrans-58-44.1174.6-175.2-175.569.4-167.1-7.7111.7F55 E90 I123 Q124 D125 H129 V130 N131F55-R127 HydrophobicContact CB-CB 4.13Å; F55-R127 HydrophobicContact CB-CG 3.83Å; F55-R127 HydrophobicContact CD1-CB 3.98Å; F55-R127 HydrophobicContact CD2-CB 4.37Å; F55-R127 HydrophobicContact CE1-CB 4.47Å; F55-R127 HydrophobicContact CG-CB 3.92Å; F55-R127 HydrophobicContact CG-CG 4.1Å; E90-R127 VanDerWaalsContact CD-NH2 3.31Å; E90-R127 IonicContact OE1-CZ 3.34Å; E90-R127 IonicContact OE1-NH1 2.56Å; E90-R127 IonicContact OE1-NH2 2.69Å; E90-R127 PolarHBondContact OE1-NH2 2.86Å; E90-R127 VanDerWaalsContact OE1-NH2 3.12Å; E90-R127 IonicContact OE2-CZ 2.62Å; E90-R127 IonicContact OE2-NE 3.1Å; E90-R127 IonicContact OE2-NH1 3.04Å; E90-R127 PolarHBondContact OE2-NH1 3.15Å; E90-R127 VanDerWaalsContact OE2-NH1 3.16Å; E90-R127 IonicContact OE2-NH2 3.61Å; E90-R127 PolarHBondContact OE2-NH2 2.84Å; I123-R127 WeakPolarHBondContact O-CB 3.48Å; I123-R127 PolarHBondContact O-N 3.43Å; Q124-R127 WeakPolarHBondContact O-CB 3.44Å; Q124-R127 PolarHBondContact O-N 3.04Å; D125-R127 VanDerWaalsContact C-N 3.35Å; R127-H129 VanDerWaalsContact C-N 3.34Å; R127-H129 PolarHBondContact O-N 3.45Å; R127-V130 PolarHBondContact O-N 3.33Å; R127-N131 PolarHBondContact O-N 2.92Å
128N96.9Very high95.6Very high74 Ų7444 Ų4440%0.39622%0.216SC..Hα-helixtrans-61-42.8179.1-67.9-17.2000111.7Q124 D125 A126 N131 Q132Q124-N128 PolarHBondContact O-N 3.04Å; Q124-N128 PolarHBondContact O-ND2 3.25Å; Q124-N128 PolarHBondContact O-OD1 3.06Å; D125-N128 PolarHBondContact O-N 3.33Å; A126-N128 VanDerWaalsContact C-N 3.32Å; A126-N128 PolarHBondContact O-N 3.38Å; N128-N131 PolarHBondContact O-N 2.92Å; N128-Q132 PolarHBondContact O-N 3.36Å
129H98.3Very high94.9Very high41 Ų4145 Ų4519%0.1923%0.233CC..Hα-helixtrans-65.2-39175.5-73.8-51.6000112.9D125 A126 R127 Q132 A133 Q162 A166D125-H129 PolarHBondContact O-CD2 2.97Å; D125-H129 PolarHBondContact O-N 3.05Å; A126-H129 PolarHBondContact O-N 3.35Å; R127-H129 VanDerWaalsContact C-N 3.34Å; R127-H129 PolarHBondContact O-N 3.45Å; H129-Q132 PolarHBondContact O-N 3.39Å; H129-A133 PolarHBondContact O-N 2.94Å; H129-Q162 PolarHBondContact ND1-OE1 2.73Å; H129-A166 HydrophobicContact CB-CB 3.68Å
130V97.3Very high94.2Very high0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-62.2-45.1174.2173.90000111.1F55 A126 R127 Q132 A133 L134 A166 F271F55-V130 HydrophobicContact CE2-CG2 4.12Å; A126-V130 WeakPolarHBondContact O-CG2 3.49Å; A126-V130 PolarHBondContact O-N 2.88Å; R127-V130 PolarHBondContact O-N 3.33Å; V130-Q132 VanDerWaalsContact C-N 3.3Å; V130-Q132 PolarHBondContact O-N 3.2Å; V130-A133 WeakPolarHBondContact O-CB 3.36Å; V130-A133 PolarHBondContact O-N 3.25Å; V130-L134 HydrophobicContact CG1-CD1 4.32Å; V130-L134 PolarHBondContact O-N 3Å; V130-A166 HydrophobicContact CG2-CB 4.21Å; V130-F271 HydrophobicContact CG2-CD1 4.5Å; V130-F271 HydrophobicContact CG2-CE1 3.32Å; V130-F271 HydrophobicContact CG2-CZ 3.42Å; V130-F271 VanDerWaalsContact CG2-CZ 3.42Å
131N96Very high93.1Very high60 Ų6046.7 Ų46.732%0.32124%0.243SC..Hα-helixtrans-62.9-38.8176.8-71.1-18.7000111.6S52 R127 N128 A133 L134 L135S52-N131 PolarHBondContact OG-OD1 2.95Å; S52-N131 VanDerWaalsContact OG-OD1 3.11Å; R127-N131 PolarHBondContact O-N 2.92Å; N128-N131 PolarHBondContact O-N 2.92Å; N131-A133 PolarHBondContact O-N 2.87Å; N131-L134 PolarHBondContact O-N 3.45Å; N131-L135 WeakPolarHBondContact O-CG 3.46Å; N131-L135 PolarHBondContact O-N 3.42Å
132Q97.4Very high92Very high83 Ų8348.2 Ų48.239%0.38825%0.254SS..Hα-helixtrans-64-40174.1-172.259.749.200112.3N128 H129 V130 L135 L136 Q162N128-Q132 PolarHBondContact O-N 3.36Å; H129-Q132 PolarHBondContact O-N 3.39Å; V130-Q132 VanDerWaalsContact C-N 3.3Å; V130-Q132 PolarHBondContact O-N 3.2Å; Q132-L135 PolarHBondContact O-N 3.01Å; Q132-L136 WeakPolarHBondContact O-CG 3.21Å; Q132-L136 PolarHBondContact O-N 3.49Å; Q132-Q162 HydrophobicContact CB-CG 4.21Å; Q132-Q162 HydrophobicContact CG-CG 3.97Å
133A97.3Very high91Very high0 Ų052.7 Ų52.70%028%0.283CS..Hα-helixtrans-63-42.8174.500000111.6L48 H129 V130 N131 L135 L136 L137 Q162 L163L48-A133 HydrophobicContact CD1-CB 3.86Å; H129-A133 PolarHBondContact O-N 2.94Å; V130-A133 WeakPolarHBondContact O-CB 3.36Å; V130-A133 PolarHBondContact O-N 3.25Å; N131-A133 PolarHBondContact O-N 2.87Å; A133-L135 PolarHBondContact O-N 3.5Å; A133-L136 WeakPolarHBondContact O-CB 3.48Å; A133-L136 PolarHBondContact O-N 3.05Å; A133-L137 WeakPolarHBondContact O-CG 3.37Å; A133-L137 PolarHBondContact O-N 3.41Å; A133-Q162 HydrophobicContact CB-CB 3.92Å; A133-L163 HydrophobicContact CB-CD2 4.3Å
134L95.7Very high90.5Very high20 Ų2056.5 Ų56.511%0.10530%0.298CS..Hα-helixtrans-61.5-41.4174.8-78.3170000112.4L48 K49 V130 N131 L137 S138L48-L134 HydrophobicContact CB-CD2 3.6Å; L48-L134 HydrophobicContact CB-CG 3.94Å; K49-L134 HydrophobicContact CG-CD2 3.92Å; V130-L134 HydrophobicContact CG1-CD1 4.32Å; V130-L134 PolarHBondContact O-N 3Å; N131-L134 PolarHBondContact O-N 3.45Å; L134-L137 PolarHBondContact O-N 3.27Å; L134-S138 WeakPolarHBondContact O-CB 3.29Å; L134-S138 PolarHBondContact O-N 2.89Å; L134-S138 PolarHBondContact O-OG 3.44Å
135L94.9Very high89.8Confident112 Ų11260.4 Ų60.459%0.58632%0.316SS*.Hα-helixtrans-62.1-43175-72.7171.4000111.7N131 Q132 A133 L137 S138 S139N131-L135 WeakPolarHBondContact O-CG 3.46Å; N131-L135 PolarHBondContact O-N 3.42Å; Q132-L135 PolarHBondContact O-N 3.01Å; A133-L135 PolarHBondContact O-N 3.5Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.41Å; L135-S138 PolarHBondContact O-N 3.19Å; L135-S139 WeakPolarHBondContact O-CB 3.35Å; L135-S139 PolarHBondContact O-N 3Å
136L94.7Very high89.3Confident40 Ų4059.4 Ų59.421%0.20931%0.31CS..Hα-helixtrans-60-44.4175.5-70.7168.5000111.3Q132 A133 S138 S139 L155 A158 V159 Q162Q132-L136 WeakPolarHBondContact O-CG 3.21Å; Q132-L136 PolarHBondContact O-N 3.49Å; A133-L136 WeakPolarHBondContact O-CB 3.48Å; A133-L136 PolarHBondContact O-N 3.05Å; L136-S138 VanDerWaalsContact C-N 3.34Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 PolarHBondContact O-OG 3.17Å; L136-L155 HydrophobicContact CB-CD1 4.18Å; L136-A158 HydrophobicContact CD1-CB 3.91Å; L136-V159 HydrophobicContact CB-CG2 4.09Å; L136-V159 HydrophobicContact CD1-CG2 4.43Å; L136-Q162 HydrophobicContact CD1-CG 4.04Å
137L92.4Very high88.5Confident1 Ų167.8 Ų67.81%0.00535%0.347CS..Hα-helixtrans-69.7-30.1178.4-67.6173.2000113.3L41 L44 Q45 L48 A133 L134 L135 M156 V159L41-L137 HydrophobicContact CD2-CD2 3.54Å; L44-L137 HydrophobicContact CB-CD1 3.81Å; L44-L137 HydrophobicContact CB-CD2 4.36Å; L44-L137 HydrophobicContact CD1-CD2 4.27Å; Q45-L137 HydrophobicContact CG-CB 3.65Å; Q45-L137 HydrophobicContact CG-CD1 4.03Å; Q45-L137 HydrophobicContact CG-CG 4.44Å; Q45-L137 PolarHBondContact NE2-O 3.37Å; L48-L137 HydrophobicContact CD1-CD1 3.71Å; A133-L137 WeakPolarHBondContact O-CG 3.37Å; A133-L137 PolarHBondContact O-N 3.41Å; L134-L137 PolarHBondContact O-N 3.27Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 3.41Å; L137-M156 HydrophobicContact CD2-CE 4.44Å; L137-V159 HydrophobicContact CD2-CG2 3.85Å; L137-V159 HydrophobicContact CG-CG2 4.06Å
138S87.8Confident87.9Confident67 Ų6768.1 Ų68.147%0.46936%0.356SS..Hα-helixtrans-88.4-10.5-178.6-50.30000113L134 L135 L136 R140L134-S138 WeakPolarHBondContact O-CB 3.29Å; L134-S138 PolarHBondContact O-N 2.89Å; L134-S138 PolarHBondContact O-OG 3.44Å; L135-S138 PolarHBondContact O-N 3.19Å; L136-S138 VanDerWaalsContact C-N 3.34Å; S138-R140 PolarHBondContact O-N 3.3Å
139S80.8Confident87.4Confident85 Ų8564.8 Ų64.859%0.59434%0.339SS*.THydrogen-bonded Turntrans-69.5-13.6178.669.30000113.7L135 L136L135-S139 WeakPolarHBondContact O-CB 3.35Å; L135-S139 PolarHBondContact O-N 3Å; L136-S139 PolarHBondContact O-N 3.47Å; L136-S139 PolarHBondContact O-OG 3.17Å
140R80.1Confident86.9Confident49 Ų4965.5 Ų65.519%0.18535%0.352CS..SBendtrans-121.2116.3178-59.4-178.4-179.9171.2-11.6107.5S138 Y144 F146 E151S138-R140 PolarHBondContact O-N 3.3Å; R140-Y144 HydrophobicContact CB-CD1 4.29Å; R140-Y144 HydrophobicContact CB-CG 4.08Å; R140-Y144 HydrophobicContact CG-CD1 4.3Å; R140-Y144 HydrophobicContact CG-CG 4.3Å; R140-F146 VanDerWaalsContact CD-CE1 3.41Å; R140-F146 VanDerWaalsContact CD-CZ 3.43Å; R140-E151 IonicContact CZ-OE1 3.64Å; R140-E151 VanDerWaalsContact CZ-OE1 3.24Å; R140-E151 IonicContact NE-OE1 3.13Å; R140-E151 PolarHBondContact NH1-O 3.34Å; R140-E151 IonicContact NH1-OE1 3.12Å; R140-E151 IonicContact NH2-OE1 3.79Å; R140-E151 PolarHBondContact NH2-OE1 3.23Å
141D72.3Confident86.6Confident93 Ų9367.1 Ų67.150%0.49736%0.359SS..  trans-75.5171.8178.661.634.9000111.8T143 Y144D141-T143 PolarHBondContact O-N 2.76Å; D141-T143 VanDerWaalsContact OD1-C 3.26Å; D141-T143 VanDerWaalsContact OD1-CA 3.25Å; D141-T143 WeakPolarHBondContact OD1-CA 3.34Å; D141-T143 WeakPolarHBondContact OD1-CB 3.48Å; D141-T143 PolarHBondContact OD1-N 2.9Å; D141-T143 PolarHBondContact OD1-OG1 3.4Å; D141-T143 PolarHBondContact OD2-OG1 3.43Å; D141-Y144 VanDerWaalsContact O-CB 3.3Å; D141-Y144 WeakPolarHBondContact O-CB 3.32Å; D141-Y144 PolarHBondContact O-N 2.76Å; D141-Y144 PolarHBondContact OD1-N 3.34Å
142D71.8Confident86.4Confident129 Ų12964.2 Ų64.269%0.6934%0.344SS*.THydrogen-bonded Turntrans-62.5-13.5177.4-63.5-22.9000112.7
143T75.8Confident86.1Confident111 Ų11161.6 Ų61.668%0.68133%0.333SS*.THydrogen-bonded Turntrans-94.3-8.4178.173.80000113.1D141 Q145D141-T143 PolarHBondContact O-N 2.76Å; D141-T143 VanDerWaalsContact OD1-C 3.26Å; D141-T143 VanDerWaalsContact OD1-CA 3.25Å; D141-T143 WeakPolarHBondContact OD1-CA 3.34Å; D141-T143 WeakPolarHBondContact OD1-CB 3.48Å; D141-T143 PolarHBondContact OD1-N 2.9Å; D141-T143 PolarHBondContact OD1-OG1 3.4Å; D141-T143 PolarHBondContact OD2-OG1 3.43Å; T143-Q145 PolarHBondContact O-N 3.16Å
144Y84.5Confident86Confident81 Ų8169 Ų6932%0.31837%0.365SS..  trans-69116.7-178.1-173.4-91.4000110.7H38 R140 D141 F146 E151H38-Y144 PolarHBondContact CE1-O 3.31Å; H38-Y144 PolarHBondContact NE2-O 3.48Å; R140-Y144 HydrophobicContact CB-CD1 4.29Å; R140-Y144 HydrophobicContact CB-CG 4.08Å; R140-Y144 HydrophobicContact CG-CD1 4.3Å; R140-Y144 HydrophobicContact CG-CG 4.3Å; D141-Y144 VanDerWaalsContact O-CB 3.3Å; D141-Y144 WeakPolarHBondContact O-CB 3.32Å; D141-Y144 PolarHBondContact O-N 2.76Å; D141-Y144 PolarHBondContact OD1-N 3.34Å; Y144-F146 AromaticContact CD1-CD1 3.89Å; Y144-F146 HydrophobicContact CD1-CD1 3.89Å; Y144-F146 HydrophobicContact CD1-CD2 4.4Å; Y144-F146 AromaticContact CD1-CE1 3.51Å; Y144-F146 HydrophobicContact CD1-CE1 3.51Å; Y144-F146 HydrophobicContact CD1-CE2 4.15Å; Y144-F146 HydrophobicContact CD1-CG 4.28Å; Y144-F146 AromaticContact CD1-CZ 3.7Å; Y144-F146 HydrophobicContact CD1-CZ 3.7Å; Y144-F146 AromaticContact CE1-CD1 3.56Å; Y144-F146 HydrophobicContact CE1-CD1 3.56Å; Y144-F146 AromaticContact CE1-CE1 3.4Å; Y144-F146 HydrophobicContact CE1-CE1 3.4Å; Y144-F146 VanDerWaalsContact CE1-CE1 3.4Å; Y144-F146 HydrophobicContact CE1-CG 4.24Å; Y144-F146 HydrophobicContact CE1-CZ 4.11Å; Y144-E151 WeakPolarHBondContact CE1-OE1 3.38Å; Y144-E151 VanDerWaalsContact CZ-OE1 3.28Å; Y144-E151 PolarHBondContact OH-OE1 3.27Å; Y144-E151 PolarHBondContact OH-OE2 3.39Å
145Q82.6Confident86Confident128 Ų12868.5 Ų68.560%0.59836%0.362SS*.  trans-92.7111.5177.6-66.8-175.8-0.400111T143 K147T143-Q145 PolarHBondContact O-N 3.16Å; Q145-K147 PolarHBondContact O-N 3Å
146F85.5Confident86Confident11 Ų1163.1 Ų63.15%0.04833%0.334CS..  trans-62.4127.6171.5-69.7-65.6000110.9L33 V37 H38 L41 R140 Y144 V152 L155L33-F146 HydrophobicContact CB-CB 4.46Å; L33-F146 HydrophobicContact CD2-CB 4.21Å; V37-F146 HydrophobicContact CB-CD2 4.17Å; V37-F146 HydrophobicContact CB-CE2 4.42Å; V37-F146 HydrophobicContact CG1-CD2 3.49Å; V37-F146 VanDerWaalsContact CG1-CD2 3.49Å; V37-F146 HydrophobicContact CG1-CE2 3.38Å; V37-F146 HydrophobicContact CG1-CG 4.37Å; V37-F146 HydrophobicContact CG1-CZ 4.24Å; H38-F146 AromaticContact CE1-CD2 3.67Å; H38-F146 AromaticContact CE1-CE2 3.76Å; L41-F146 HydrophobicContact CD1-CE2 3.76Å; L41-F146 HydrophobicContact CD1-CZ 3.83Å; R140-F146 VanDerWaalsContact CD-CE1 3.41Å; R140-F146 VanDerWaalsContact CD-CZ 3.43Å; Y144-F146 AromaticContact CD1-CD1 3.89Å; Y144-F146 HydrophobicContact CD1-CD1 3.89Å; Y144-F146 HydrophobicContact CD1-CD2 4.4Å; Y144-F146 AromaticContact CD1-CE1 3.51Å; Y144-F146 HydrophobicContact CD1-CE1 3.51Å; Y144-F146 HydrophobicContact CD1-CE2 4.15Å; Y144-F146 HydrophobicContact CD1-CG 4.28Å; Y144-F146 AromaticContact CD1-CZ 3.7Å; Y144-F146 HydrophobicContact CD1-CZ 3.7Å; Y144-F146 AromaticContact CE1-CD1 3.56Å; Y144-F146 HydrophobicContact CE1-CD1 3.56Å; Y144-F146 AromaticContact CE1-CE1 3.4Å; Y144-F146 HydrophobicContact CE1-CE1 3.4Å; Y144-F146 VanDerWaalsContact CE1-CE1 3.4Å; Y144-F146 HydrophobicContact CE1-CG 4.24Å; Y144-F146 HydrophobicContact CE1-CZ 4.11Å; F146-V152 HydrophobicContact CB-CG2 3.83Å; F146-V152 HydrophobicContact CD1-CG2 3.59Å; F146-V152 HydrophobicContact CD2-CG2 4.16Å; F146-V152 HydrophobicContact CE1-CG2 4.32Å; F146-V152 HydrophobicContact CG-CG2 3.53Å; F146-L155 HydrophobicContact CZ-CD2 4.5Å
147K80Confident86.2Confident175 Ų17564.8 Ų64.876%0.76134%0.343SS*.  trans-93.2-28.4-178.6-63.1-175.4-178.5-179.10112.9Q145 E151Q145-K147 PolarHBondContact O-N 3Å; K147-E151 PolarHBondContact N-OE2 2.88Å
148T84.6Confident86.4Confident71 Ų7166.3 Ų66.344%0.43636%0.356SS..  trans-143.4146.9-174.868.40000111.3A150 E151 V152T148-A150 PolarHBondContact O-N 2.97Å; T148-E151 WeakPolarHBondContact O-CB 3.31Å; T148-E151 PolarHBondContact O-N 2.7Å; T148-E151 VanDerWaalsContact O-N 3.09Å; T148-E151 WeakPolarHBondContact OG1-CB 3.47Å; T148-E151 PolarHBondContact OG1-N 2.76Å; T148-V152 PolarHBondContact O-N 2.87Å
149G85.8Confident86.9Confident4 Ų463.1 Ų63.14%0.04133%0.333CS..Hα-helixtrans-59.1-31.8170.900000113.1E151 V152 N153G149-E151 VanDerWaalsContact C-N 3.26Å; G149-E151 PolarHBondContact O-N 2.86Å; G149-V152 PolarHBondContact O-N 3.28Å; G149-N153 WeakPolarHBondContact O-CB 3.4Å; G149-N153 PolarHBondContact O-N 3.28Å
150A88.4Confident87.7Confident56 Ų5660.5 Ų60.546%0.46331%0.312SS..Hα-helixtrans-61.3-35175.700000112.6T148 K154T148-A150 PolarHBondContact O-N 2.97Å; A150-K154 WeakPolarHBondContact O-CB 3.36Å; A150-K154 VanDerWaalsContact O-CG 3.32Å; A150-K154 WeakPolarHBondContact O-CG 3.29Å; A150-K154 PolarHBondContact O-N 2.89Å
151E89.9Confident88.6Confident33 Ų3362.1 Ų62.115%0.15432%0.324CS..Hα-helixtrans-69.7-39.6177.8-162.5-153.614600112.4R140 Y144 K147 T148 G149 L155R140-E151 IonicContact CZ-OE1 3.64Å; R140-E151 VanDerWaalsContact CZ-OE1 3.24Å; R140-E151 IonicContact NE-OE1 3.13Å; R140-E151 PolarHBondContact NH1-O 3.34Å; R140-E151 IonicContact NH1-OE1 3.12Å; R140-E151 IonicContact NH2-OE1 3.79Å; R140-E151 PolarHBondContact NH2-OE1 3.23Å; Y144-E151 WeakPolarHBondContact CE1-OE1 3.38Å; Y144-E151 VanDerWaalsContact CZ-OE1 3.28Å; Y144-E151 PolarHBondContact OH-OE1 3.27Å; Y144-E151 PolarHBondContact OH-OE2 3.39Å; K147-E151 PolarHBondContact N-OE2 2.88Å; T148-E151 WeakPolarHBondContact O-CB 3.31Å; T148-E151 PolarHBondContact O-N 2.7Å; T148-E151 VanDerWaalsContact O-N 3.09Å; T148-E151 WeakPolarHBondContact OG1-CB 3.47Å; T148-E151 PolarHBondContact OG1-N 2.76Å; G149-E151 VanDerWaalsContact C-N 3.26Å; G149-E151 PolarHBondContact O-N 2.86Å; E151-L155 PolarHBondContact O-N 3.17Å
152V91.3Very high89.8Confident0 Ų058.9 Ų58.90%031%0.306CS..Hα-helixtrans-69.1-44.2175.6-175.60000110.1L33 V37 F146 T148 G149 K154 L155 M156 L281 I285L33-V152 HydrophobicContact CD2-CG2 3.97Å; V37-V152 HydrophobicContact CG1-CG1 3.92Å; V37-V152 HydrophobicContact CG1-CG2 4.2Å; V37-V152 HydrophobicContact CG2-CG1 4.12Å; V37-V152 HydrophobicContact CG2-CG2 4.19Å; F146-V152 HydrophobicContact CB-CG2 3.83Å; F146-V152 HydrophobicContact CD1-CG2 3.59Å; F146-V152 HydrophobicContact CD2-CG2 4.16Å; F146-V152 HydrophobicContact CE1-CG2 4.32Å; F146-V152 HydrophobicContact CG-CG2 3.53Å; T148-V152 PolarHBondContact O-N 2.87Å; G149-V152 PolarHBondContact O-N 3.28Å; V152-K154 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 3.33Å; V152-L155 PolarHBondContact O-N 3.38Å; V152-L155 VanDerWaalsContact O-N 3.13Å; V152-M156 HydrophobicContact CG1-CG 4.34Å; V152-M156 WeakPolarHBondContact O-CG 3.36Å; V152-M156 PolarHBondContact O-N 2.96Å; V152-L281 HydrophobicContact CG1-CD2 4Å; V152-L281 HydrophobicContact CG1-CG 4.44Å; V152-I285 HydrophobicContact CB-CD1 3.64Å; V152-I285 HydrophobicContact CG1-CD1 3.31Å; V152-I285 HydrophobicContact CG2-CD1 4.49Å
153N93.1Very high91.1Very high28 Ų2852.7 Ų52.715%0.1527%0.273CS..Hα-helixtrans-56.9-45.6175.3-80.2-24000111.9G149 L155 M156 D157 K282G149-N153 WeakPolarHBondContact O-CB 3.4Å; G149-N153 PolarHBondContact O-N 3.28Å; N153-L155 VanDerWaalsContact C-N 3.32Å; N153-L155 PolarHBondContact O-N 3.48Å; N153-M156 PolarHBondContact O-N 3.08Å; N153-D157 WeakPolarHBondContact O-CB 3.39Å; N153-D157 VanDerWaalsContact O-CG 3.27Å; N153-D157 PolarHBondContact O-N 2.76Å; N153-K282 WeakPolarHBondContact OD1-CG 3.48Å
154K94.2Very high92.2Very high155 Ų15549.4 Ų49.467%0.67425%0.253SS*.Hα-helixtrans-59.7-40176.4-78.5177.4-178.91800112.8A150 V152 A158A150-K154 WeakPolarHBondContact O-CB 3.36Å; A150-K154 VanDerWaalsContact O-CG 3.32Å; A150-K154 WeakPolarHBondContact O-CG 3.29Å; A150-K154 PolarHBondContact O-N 2.89Å; V152-K154 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 3.33Å; K154-A158 WeakPolarHBondContact O-CB 3.45Å; K154-A158 PolarHBondContact O-N 3.15Å
155L94.9Very high92.8Very high9 Ų951.2 Ų51.25%0.04726%0.259CS..Hα-helixtrans-67.4-46.2175.4173.167.8000111.4L41 L136 F146 E151 V152 N153 D157 A158 V159L41-L155 HydrophobicContact CD1-CD2 4.32Å; L41-L155 HydrophobicContact CD2-CD2 3.78Å; L136-L155 HydrophobicContact CB-CD1 4.18Å; F146-L155 HydrophobicContact CZ-CD2 4.5Å; E151-L155 PolarHBondContact O-N 3.17Å; V152-L155 PolarHBondContact O-N 3.38Å; V152-L155 VanDerWaalsContact O-N 3.13Å; N153-L155 VanDerWaalsContact C-N 3.32Å; N153-L155 PolarHBondContact O-N 3.48Å; L155-D157 VanDerWaalsContact C-N 3.31Å; L155-D157 PolarHBondContact O-N 2.74Å; L155-A158 PolarHBondContact O-N 3.09Å; L155-A158 VanDerWaalsContact O-N 3.17Å; L155-V159 HydrophobicContact CD1-CG2 4.14Å; L155-V159 HydrophobicContact CG-CG2 4.43Å; L155-V159 WeakPolarHBondContact O-CG2 3.39Å; L155-V159 PolarHBondContact O-N 3.28Å
156M96Very high93.5Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-60-42.2177.3-68.9-58.797.100111.3L41 L44 L137 V152 N153 A158 V159 M160 C278 L281 K282L41-M156 HydrophobicContact CD2-CE 3.43Å; L41-M156 VanDerWaalsContact CD2-CE 3.43Å; L44-M156 HydrophobicContact CD1-CE 4.28Å; L44-M156 HydrophobicContact CD1-SD 4.14Å; L137-M156 HydrophobicContact CD2-CE 4.44Å; V152-M156 HydrophobicContact CG1-CG 4.34Å; V152-M156 WeakPolarHBondContact O-CG 3.36Å; V152-M156 PolarHBondContact O-N 2.96Å; N153-M156 PolarHBondContact O-N 3.08Å; M156-A158 PolarHBondContact O-N 3.16Å; M156-V159 PolarHBondContact O-N 3.37Å; M156-M160 VanDerWaalsContact O-CB 3.29Å; M156-M160 WeakPolarHBondContact O-CB 3.49Å; M156-M160 WeakPolarHBondContact O-CG 3.31Å; M156-M160 PolarHBondContact O-N 3.26Å; M156-C278 HydrophobicContact SD-CB 4Å; M156-L281 HydrophobicContact CG-CD2 4.13Å; M156-L281 HydrophobicContact SD-CD2 3.87Å; M156-K282 HydrophobicContact CB-CD 3.8Å; M156-K282 HydrophobicContact CB-CG 3.63Å; M156-K282 HydrophobicContact CG-CG 4.09Å
157D97.7Very high94.1Very high75 Ų7548.7 Ų48.740%0.40124%0.244SC..Hα-helixtrans-59.4-44.7174.1-73.6-31.2000112.1N153 L155 L161 K282N153-D157 WeakPolarHBondContact O-CB 3.39Å; N153-D157 VanDerWaalsContact O-CG 3.27Å; N153-D157 PolarHBondContact O-N 2.76Å; L155-D157 VanDerWaalsContact C-N 3.31Å; L155-D157 PolarHBondContact O-N 2.74Å; D157-L161 VanDerWaalsContact O-CB 3.27Å; D157-L161 WeakPolarHBondContact O-CB 3.48Å; D157-L161 PolarHBondContact O-N 2.92Å; D157-K282 WeakPolarHBondContact OD1-CE 3.25Å; D157-K282 IonicContact OD1-NZ 3.72Å; D157-K282 PolarHBondContact OD1-NZ 3.12Å
158A97.8Very high94.9Very high32 Ų3243.7 Ų43.726%0.26423%0.225SC..Hα-helixtrans-63.9-42.3177.900000112.1L136 K154 L155 M156 Q162L136-A158 HydrophobicContact CD1-CB 3.91Å; K154-A158 WeakPolarHBondContact O-CB 3.45Å; K154-A158 PolarHBondContact O-N 3.15Å; L155-A158 PolarHBondContact O-N 3.09Å; L155-A158 VanDerWaalsContact O-N 3.17Å; M156-A158 PolarHBondContact O-N 3.16Å; A158-Q162 WeakPolarHBondContact O-CG 3.32Å; A158-Q162 PolarHBondContact O-N 3.38Å
159V97.8Very high95.5Very high0 Ų044.4 Ų44.40%022%0.22CC..Hα-helixtrans-66.4-50.2176.9172.30000110.5L136 L137 L155 M156 L161 Q162 L163L136-V159 HydrophobicContact CB-CG2 4.09Å; L136-V159 HydrophobicContact CD1-CG2 4.43Å; L137-V159 HydrophobicContact CD2-CG2 3.85Å; L137-V159 HydrophobicContact CG-CG2 4.06Å; L155-V159 HydrophobicContact CD1-CG2 4.14Å; L155-V159 HydrophobicContact CG-CG2 4.43Å; L155-V159 WeakPolarHBondContact O-CG2 3.39Å; L155-V159 PolarHBondContact O-N 3.28Å; M156-V159 PolarHBondContact O-N 3.37Å; V159-L161 VanDerWaalsContact C-N 3.25Å; V159-L161 PolarHBondContact O-N 3.3Å; V159-Q162 PolarHBondContact O-N 2.93Å; V159-L163 HydrophobicContact CG1-CD1 3.95Å; V159-L163 HydrophobicContact CG1-CG 4.33Å; V159-L163 WeakPolarHBondContact O-CG 3.24Å; V159-L163 PolarHBondContact O-N 2.93Å
160M98.4Very high96Very high31 Ų3144.2 Ų44.215%0.15322%0.218CC..Hα-helixtrans-58.4-37.2177.9-71.217677.600112.2M156 L163 T164 L275 C278 Q279 K282M156-M160 VanDerWaalsContact O-CB 3.29Å; M156-M160 WeakPolarHBondContact O-CB 3.49Å; M156-M160 WeakPolarHBondContact O-CG 3.31Å; M156-M160 PolarHBondContact O-N 3.26Å; M160-L163 PolarHBondContact O-N 3.38Å; M160-T164 VanDerWaalsContact O-CB 3.28Å; M160-T164 WeakPolarHBondContact O-CB 3.47Å; M160-T164 PolarHBondContact O-N 2.82Å; M160-T164 PolarHBondContact O-OG1 3.41Å; M160-L275 HydrophobicContact CB-CD2 3.97Å; M160-L275 HydrophobicContact CE-CD2 4.41Å; M160-L275 HydrophobicContact CG-CD2 4.06Å; M160-C278 HydrophobicContact CG-CB 3.31Å; M160-C278 HydrophobicContact SD-CB 3.59Å; M160-C278 VanDerWaalsContact SD-CB 3.59Å; M160-Q279 HydrophobicContact CE-CB 4.25Å; M160-K282 HydrophobicContact SD-CD 3.78Å
161L98.5Very high96.3Very high82 Ų8243.4 Ų43.443%0.42921%0.207SC..Hα-helixtrans-60.8-46.1174.8177.762.6000111.3D157 V159 R165D157-L161 VanDerWaalsContact O-CB 3.27Å; D157-L161 WeakPolarHBondContact O-CB 3.48Å; D157-L161 PolarHBondContact O-N 2.92Å; V159-L161 VanDerWaalsContact C-N 3.25Å; V159-L161 PolarHBondContact O-N 3.3Å; L161-R165 HydrophobicContact CD1-CG 4.42Å; L161-R165 WeakPolarHBondContact O-CB 3.34Å; L161-R165 VanDerWaalsContact O-CG 3.26Å; L161-R165 WeakPolarHBondContact O-CG 3.45Å; L161-R165 PolarHBondContact O-N 3.02Å
162Q98.4Very high96.5Very high25 Ų2546 Ų4612%0.11723%0.226CC..Hα-helixtrans-65.1-44.2177.4-63.7-54.1-3900111.6H129 Q132 A133 L136 A158 V159 T164 R165 A166H129-Q162 PolarHBondContact ND1-OE1 2.73Å; Q132-Q162 HydrophobicContact CB-CG 4.21Å; Q132-Q162 HydrophobicContact CG-CG 3.97Å; A133-Q162 HydrophobicContact CB-CB 3.92Å; L136-Q162 HydrophobicContact CD1-CG 4.04Å; A158-Q162 WeakPolarHBondContact O-CG 3.32Å; A158-Q162 PolarHBondContact O-N 3.38Å; V159-Q162 PolarHBondContact O-N 2.93Å; Q162-T164 PolarHBondContact O-N 2.94Å; Q162-R165 PolarHBondContact O-N 3.42Å; Q162-A166 WeakPolarHBondContact O-CB 3.4Å; Q162-A166 PolarHBondContact O-N 3.48Å
163L98.3Very high96.5Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-63.3-41.3178.3-64176.9000112.4L48 A133 V159 M160 A166 R167 F271 L275L48-L163 HydrophobicContact CD1-CD2 3.96Å; L48-L163 HydrophobicContact CD2-CD2 3.46Å; L48-L163 VanDerWaalsContact CD2-CD2 3.46Å; L48-L163 HydrophobicContact CG-CD2 4.37Å; A133-L163 HydrophobicContact CB-CD2 4.3Å; V159-L163 HydrophobicContact CG1-CD1 3.95Å; V159-L163 HydrophobicContact CG1-CG 4.33Å; V159-L163 WeakPolarHBondContact O-CG 3.24Å; V159-L163 PolarHBondContact O-N 2.93Å; M160-L163 PolarHBondContact O-N 3.38Å; L163-A166 PolarHBondContact O-N 2.82Å; L163-R167 WeakPolarHBondContact O-CB 3.5Å; L163-R167 PolarHBondContact O-N 2.86Å; L163-F271 HydrophobicContact CD2-CD1 4.34Å; L163-L275 HydrophobicContact CB-CD2 3.82Å; L163-L275 HydrophobicContact CB-CG 4.02Å; L163-L275 HydrophobicContact CD1-CD2 4.3Å; L163-L275 HydrophobicContact CD1-CG 4.3Å
164T98.1Very high96.6Very high42 Ų4248.3 Ų48.326%0.25825%0.247SC..Hα-helixtrans-64.5-42.3175.9-58.90000110.9M160 Q162 R167 N168M160-T164 VanDerWaalsContact O-CB 3.28Å; M160-T164 WeakPolarHBondContact O-CB 3.47Å; M160-T164 PolarHBondContact O-N 2.82Å; M160-T164 PolarHBondContact O-OG1 3.41Å; Q162-T164 PolarHBondContact O-N 2.94Å; T164-R167 PolarHBondContact O-N 3Å; T164-N168 VanDerWaalsContact O-CB 3.32Å; T164-N168 WeakPolarHBondContact O-CB 3.21Å; T164-N168 PolarHBondContact O-N 3.4Å; T164-N168 PolarHBondContact O-ND2 2.94Å; T164-N168 PolarHBondContact O-OD1 3.23Å
165R98.2Very high96.6Very high119 Ų11944.2 Ų44.245%0.44924%0.238SC..Hα-helixtrans-62.9-45.8174.7-74.6174.6174.7-178.2-1.6111.6L161 Q162 R167 N168 R169L161-R165 HydrophobicContact CD1-CG 4.42Å; L161-R165 WeakPolarHBondContact O-CB 3.34Å; L161-R165 VanDerWaalsContact O-CG 3.26Å; L161-R165 WeakPolarHBondContact O-CG 3.45Å; L161-R165 PolarHBondContact O-N 3.02Å; Q162-R165 PolarHBondContact O-N 3.42Å; R165-R167 PolarHBondContact O-N 2.93Å; R165-N168 PolarHBondContact O-N 3.44Å; R165-R169 WeakPolarHBondContact O-CG 3.28Å; R165-R169 PolarHBondContact O-N 3.27Å
166A97.9Very high96.6Very high0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-56.8-50.1176.700000111.5A126 H129 V130 Q162 L163 N168 R169 L170 F271A126-A166 HydrophobicContact CB-CB 4.45Å; H129-A166 HydrophobicContact CB-CB 3.68Å; V130-A166 HydrophobicContact CG2-CB 4.21Å; Q162-A166 WeakPolarHBondContact O-CB 3.4Å; Q162-A166 PolarHBondContact O-N 3.48Å; L163-A166 PolarHBondContact O-N 2.82Å; A166-N168 PolarHBondContact O-N 3.26Å; A166-R169 PolarHBondContact O-N 3.17Å; A166-L170 PolarHBondContact O-N 3.07Å; A166-F271 HydrophobicContact CB-CD2 4.42Å; A166-F271 HydrophobicContact CB-CE2 3.77Å; A166-F271 HydrophobicContact CB-CZ 3.83Å
167R97.7Very high96.7Very high86 Ų8647.6 Ų47.633%0.32526%0.257SS..Hα-helixtrans-56.7-49.6175.3-174.8-175.468.4-172.8-0.5111.2L163 T164 R165 R169 L170 T171 L268 F271L163-R167 WeakPolarHBondContact O-CB 3.5Å; L163-R167 PolarHBondContact O-N 2.86Å; T164-R167 PolarHBondContact O-N 3Å; R165-R167 PolarHBondContact O-N 2.93Å; R167-R169 VanDerWaalsContact C-N 3.3Å; R167-R169 PolarHBondContact O-N 3.42Å; R167-L170 PolarHBondContact O-N 2.85Å; R167-T171 HydrophobicContact CG-CG2 4.05Å; R167-T171 WeakPolarHBondContact O-CG2 3.29Å; R167-T171 PolarHBondContact O-N 3.46Å; R167-T171 PolarHBondContact O-OG1 2.93Å; R167-L268 HydrophobicContact CG-CD2 4.02Å; R167-F271 HydrophobicContact CB-CD2 4.01Å
168N97.1Very high96.7Very high70 Ų7044 Ų4437%0.37424%0.238SC..Hα-helixtrans-61.9-35.4-177.2-69.9-1.6000112.7T164 R165 A166 L170 T171 T172T164-N168 VanDerWaalsContact O-CB 3.32Å; T164-N168 WeakPolarHBondContact O-CB 3.21Å; T164-N168 PolarHBondContact O-N 3.4Å; T164-N168 PolarHBondContact O-ND2 2.94Å; T164-N168 PolarHBondContact O-OD1 3.23Å; R165-N168 PolarHBondContact O-N 3.44Å; A166-N168 PolarHBondContact O-N 3.26Å; N168-L170 VanDerWaalsContact C-N 3.27Å; N168-L170 PolarHBondContact O-N 2.79Å; N168-T171 WeakPolarHBondContact CA-OG1 3.27Å; N168-T171 PolarHBondContact O-N 2.85Å; N168-T171 PolarHBondContact O-OG1 3.36Å; N168-T172 WeakPolarHBondContact O-CB 3.15Å; N168-T172 PolarHBondContact O-N 3.42Å; N168-T172 PolarHBondContact O-OG1 2.98Å
169R96.9Very high96.6Very high86 Ų8644.5 Ų44.533%0.32524%0.238SC..Hα-helixtrans-62-34.3174.8-66.5-57.8-69.3157.9-4.5112.5Q122 D125 A126 R165 A166 R167Q122-R169 WeakPolarHBondContact CB-O 3.43Å; Q122-R169 WeakPolarHBondContact CG-O 3.41Å; Q122-R169 PolarHBondContact NE2-O 2.91Å; D125-R169 HydrophobicContact CB-CB 4.38Å; D125-R169 HydrophobicContact CB-CG 3.81Å; D125-R169 IonicContact OD2-CZ 3.09Å; D125-R169 IonicContact OD2-NE 3.72Å; D125-R169 PolarHBondContact OD2-NE 3.38Å; D125-R169 IonicContact OD2-NH2 3.84Å; D125-R169 PolarHBondContact OD2-NH2 3.13Å; A126-R169 HydrophobicContact CB-CB 4.4Å; R165-R169 WeakPolarHBondContact O-CG 3.28Å; R165-R169 PolarHBondContact O-N 3.27Å; A166-R169 PolarHBondContact O-N 3.17Å; R167-R169 VanDerWaalsContact C-N 3.3Å; R167-R169 PolarHBondContact O-N 3.42Å
170L96.4Very high96.5Very high0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-83.4-32.9178-60.4178.9000112.8F55 I123 A126 A166 R167 N168 L206 L264 L268 F271F55-L170 HydrophobicContact CZ-CD1 4.35Å; I123-L170 HydrophobicContact CG1-CD2 4.33Å; A126-L170 HydrophobicContact CB-CD1 4.1Å; A126-L170 HydrophobicContact CB-CD2 3.8Å; A126-L170 HydrophobicContact CB-CG 3.74Å; A166-L170 PolarHBondContact O-N 3.07Å; R167-L170 PolarHBondContact O-N 2.85Å; N168-L170 VanDerWaalsContact C-N 3.27Å; N168-L170 PolarHBondContact O-N 2.79Å; L170-L206 PolarHBondContact O-N 2.84Å; L170-L264 HydrophobicContact CD1-CD2 4.1Å; L170-L264 HydrophobicContact CD2-CD2 4.1Å; L170-L268 HydrophobicContact CB-CD2 4.28Å; L170-L268 HydrophobicContact CD1-CD2 4.14Å; L170-L268 HydrophobicContact CD1-CG 4.48Å; L170-F271 HydrophobicContact CD1-CE2 3.98Å
171T94.8Very high96.3Very high38 Ų3847.9 Ų47.923%0.23325%0.254CS..Hα-helixtrans-85.3-21.8-17758.20000114.2R167 N168 P173 L206 L268R167-T171 HydrophobicContact CG-CG2 4.05Å; R167-T171 WeakPolarHBondContact O-CG2 3.29Å; R167-T171 PolarHBondContact O-N 3.46Å; R167-T171 PolarHBondContact O-OG1 2.93Å; N168-T171 WeakPolarHBondContact CA-OG1 3.27Å; N168-T171 PolarHBondContact O-N 2.85Å; N168-T171 PolarHBondContact O-OG1 3.36Å; T171-P173 WeakPolarHBondContact O-CD 3.33Å; T171-L206 HydrophobicContact CG2-CD1 3.66Å; T171-L268 HydrophobicContact CG2-CD2 4.38Å
172T92.2Very high96.1Very high88 Ų8845 Ų4554%0.5424%0.242SC..SBendtrans-120.997.6-171.9-52.20000110.1N168N168-T172 WeakPolarHBondContact O-CB 3.15Å; N168-T172 PolarHBondContact O-N 3.42Å; N168-T172 PolarHBondContact O-OG1 2.98Å
173P93.3Very high95.9Very high15 Ų1548.1 Ų48.110%0.09726%0.263CS..PPolyproline II helixtrans-60.7154.5173.4-17.428.2000111.8T171 Y203 I204 N205 V234T171-P173 WeakPolarHBondContact O-CD 3.33Å; P173-Y203 HydrophobicContact CB-CD2 3.67Å; P173-Y203 HydrophobicContact CB-CE2 4.24Å; P173-Y203 HydrophobicContact CB-CG 4.19Å; P173-Y203 HydrophobicContact CG-CD2 3.64Å; P173-Y203 HydrophobicContact CG-CE2 3.95Å; P173-I204 WeakPolarHBondContact CG-O 3.19Å; P173-N205 HydrophobicContact CG-CB 4.13Å; P173-V234 HydrophobicContact CB-CG1 3.68Å; P173-V234 HydrophobicContact CB-CG2 4.15Å; P173-V234 HydrophobicContact CG-CG1 3.9Å
174A93.3Very high95.7Very high61 Ų6149.6 Ų49.650%0.50427%0.273SS..PPolyproline II helixtrans-71.1135.417500000111.3L176A174-L176 HydrophobicContact CB-CD2 4.48Å; A174-L176 HydrophobicContact CB-CG 4.45Å
175S95.1Very high95.5Very high69 Ų6949.5 Ų49.548%0.48328%0.281SS..PPolyproline II helixtrans-80.4119.5167.9-64.50000109.2
176L95.8Very high95.3Very high52 Ų5243.9 Ų43.927%0.27226%0.26SS..BIsolated β-bridgetrans-120148.1-178.9-62.1174.1000109.7A174 L181 S233 H236A174-L176 HydrophobicContact CB-CD2 4.48Å; A174-L176 HydrophobicContact CB-CG 4.45Å; L176-L181 HydrophobicContact CB-CD2 4.08Å; L176-L181 HydrophobicContact CB-CG 4.02Å; L176-L181 HydrophobicContact CD1-CD2 3.54Å; L176-L181 HydrophobicContact CD1-CG 4.37Å; L176-L181 HydrophobicContact CG-CD2 4.46Å; L176-S233 PolarHBondContact N-O 3.25Å; L176-S233 PolarHBondContact O-N 2.83Å; L176-H236 PolarHBondContact O-CE1 3.28Å; L176-H236 PolarHBondContact O-NE2 2.91Å
177T97.3Very high95.1Very high29 Ų2945 Ų4518%0.17827%0.265CS..  trans-79.1157.7168.165.60000110.2E180 L181 S232T177-E180 WeakPolarHBondContact CB-OE2 3.25Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.34Å; T177-E180 PolarHBondContact N-OE2 3.3Å; T177-E180 PolarHBondContact O-N 2.79Å; T177-E180 WeakPolarHBondContact OG1-CB 3.46Å; T177-E180 VanDerWaalsContact OG1-CD 3.22Å; T177-E180 WeakPolarHBondContact OG1-CG 3.41Å; T177-E180 PolarHBondContact OG1-N 2.8Å; T177-E180 PolarHBondContact OG1-OE2 3.44Å; T177-L181 PolarHBondContact O-N 2.62Å; T177-L181 VanDerWaalsContact O-N 3.11Å; T177-S232 VanDerWaalsContact CG2-OG 3.22Å; T177-S232 WeakPolarHBondContact CG2-OG 3.44Å
178L96.7Very high94.9Very high0 Ų048 Ų480%028%0.28CS..Hα-helixtrans-60.9-39.6176.7-68.7163000113.1E180 L181 A182 M199 H236 A240 F242 V251L178-E180 PolarHBondContact O-N 3.07Å; L178-L181 HydrophobicContact CD2-CD1 4.46Å; L178-L181 PolarHBondContact O-N 2.82Å; L178-A182 WeakPolarHBondContact O-CB 3.42Å; L178-A182 PolarHBondContact O-N 2.78Å; L178-M199 HydrophobicContact CD2-CE 3.67Å; L178-H236 HydrophobicContact CD2-CB 3.95Å; L178-H236 HydrophobicContact CG-CB 4.41Å; L178-A240 HydrophobicContact CD1-CB 3.83Å; L178-F242 HydrophobicContact CB-CB 3.86Å; L178-F242 HydrophobicContact CB-CD1 3.47Å; L178-F242 VanDerWaalsContact CB-CD1 3.47Å; L178-F242 HydrophobicContact CB-CD2 3.98Å; L178-F242 HydrophobicContact CB-CE1 3.88Å; L178-F242 HydrophobicContact CB-CE2 4.36Å; L178-F242 HydrophobicContact CB-CG 3.5Å; L178-F242 VanDerWaalsContact CB-CG 3.5Å; L178-F242 HydrophobicContact CB-CZ 4.3Å; L178-F242 HydrophobicContact CD1-CB 4.25Å; L178-F242 HydrophobicContact CD1-CD1 3.53Å; L178-F242 HydrophobicContact CD1-CE1 4.18Å; L178-F242 HydrophobicContact CD1-CG 4.17Å; L178-F242 HydrophobicContact CG-CD1 4.05Å; L178-F242 HydrophobicContact CG-CE1 4.44Å; L178-F242 HydrophobicContact CG-CG 4.46Å; L178-V251 HydrophobicContact CD1-CG2 3.79Å; L178-V251 HydrophobicContact CD2-CG2 3.91Å
179P96.2Very high94.8Very high41 Ų4145.2 Ų45.227%0.26627%0.265SS..Hα-helixtrans-60.7-39.7172.6-24.734.1000114.1L181 A182 T183 F242P179-L181 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 3.01Å; P179-A182 PolarHBondContact O-N 2.85Å; P179-T183 WeakPolarHBondContact O-CB 3.46Å; P179-T183 WeakPolarHBondContact O-CG2 3.47Å; P179-T183 PolarHBondContact O-N 3.16Å; P179-T183 PolarHBondContact O-OG1 3.35Å; P179-F242 HydrophobicContact CG-CB 4.13Å; P179-F242 HydrophobicContact CG-CD2 3.93Å; P179-F242 HydrophobicContact CG-CG 4.44Å
180E96Very high94.7Very high96 Ų9641.5 Ų41.545%0.44925%0.251SS..Hα-helixtrans-64-39.2176-73.7165.914300111.4T177 L178 S184T177-E180 WeakPolarHBondContact CB-OE2 3.25Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.34Å; T177-E180 PolarHBondContact N-OE2 3.3Å; T177-E180 PolarHBondContact O-N 2.79Å; T177-E180 WeakPolarHBondContact OG1-CB 3.46Å; T177-E180 VanDerWaalsContact OG1-CD 3.22Å; T177-E180 WeakPolarHBondContact OG1-CG 3.41Å; T177-E180 PolarHBondContact OG1-N 2.8Å; T177-E180 PolarHBondContact OG1-OE2 3.44Å; L178-E180 PolarHBondContact O-N 3.07Å; E180-S184 WeakPolarHBondContact O-CB 3.29Å; E180-S184 PolarHBondContact O-N 3.14Å
181L95.1Very high94.6Very high7 Ų744.4 Ų44.44%0.03727%0.269CS..Hα-helixtrans-64.5-47.2174.4-70.7173.5000111.6L176 T177 L178 P179 T183 S184 N201 Y214L176-L181 HydrophobicContact CB-CD2 4.08Å; L176-L181 HydrophobicContact CB-CG 4.02Å; L176-L181 HydrophobicContact CD1-CD2 3.54Å; L176-L181 HydrophobicContact CD1-CG 4.37Å; L176-L181 HydrophobicContact CG-CD2 4.46Å; T177-L181 PolarHBondContact O-N 2.62Å; T177-L181 VanDerWaalsContact O-N 3.11Å; L178-L181 HydrophobicContact CD2-CD1 4.46Å; L178-L181 PolarHBondContact O-N 2.82Å; P179-L181 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 3.01Å; L181-T183 VanDerWaalsContact C-N 3.29Å; L181-T183 PolarHBondContact O-N 3.37Å; L181-S184 VanDerWaalsContact O-CB 3.26Å; L181-S184 WeakPolarHBondContact O-CB 3.06Å; L181-S184 PolarHBondContact O-N 3.1Å; L181-N201 HydrophobicContact CD2-CB 4.03Å; L181-Y214 HydrophobicContact CD1-CE2 4Å
182A93.7Very high94.5Very high22 Ų2245.9 Ų45.918%0.18228%0.279CS..Hα-helixtrans-64-34-178.100000113L178 P179 M187 M199 F242 L244L178-A182 WeakPolarHBondContact O-CB 3.42Å; L178-A182 PolarHBondContact O-N 2.78Å; P179-A182 PolarHBondContact O-N 2.85Å; A182-M187 WeakPolarHBondContact O-CG 3.24Å; A182-M199 HydrophobicContact CB-SD 3.53Å; A182-M199 VanDerWaalsContact CB-SD 3.53Å; A182-F242 HydrophobicContact CB-CE2 4.33Å; A182-L244 HydrophobicContact CB-CD2 3.65Å
183T93.8Very high94.5Very high89 Ų8946.8 Ų46.855%0.54629%0.287SS..Hα-helixtrans-93-4.4-17957.70000113.5P179 L181 L244P179-T183 WeakPolarHBondContact O-CB 3.46Å; P179-T183 WeakPolarHBondContact O-CG2 3.47Å; P179-T183 PolarHBondContact O-N 3.16Å; P179-T183 PolarHBondContact O-OG1 3.35Å; L181-T183 VanDerWaalsContact C-N 3.29Å; L181-T183 PolarHBondContact O-N 3.37Å; T183-L244 HydrophobicContact CG2-CD1 3.78Å
184S93.9Very high94.4Very high32 Ų3247.5 Ų47.522%0.22429%0.289CS..SBendtrans-56.5143.7178178.90000112E180 L181 L186 M187E180-S184 WeakPolarHBondContact O-CB 3.29Å; E180-S184 PolarHBondContact O-N 3.14Å; L181-S184 VanDerWaalsContact O-CB 3.26Å; L181-S184 WeakPolarHBondContact O-CB 3.06Å; L181-S184 PolarHBondContact O-N 3.1Å; S184-L186 PolarHBondContact O-N 2.9Å; S184-L186 WeakPolarHBondContact OG-CB 3.18Å; S184-L186 PolarHBondContact OG-N 2.77Å; S184-M187 PolarHBondContact O-N 3.29Å; S184-M187 VanDerWaalsContact O-N 3.08Å
185G93.8Very high94.3Very high40 Ų4046.4 Ų46.441%0.41228%0.277SS..G310 helixtrans-54.7-24.3171.600000113.1M187 K188G185-M187 VanDerWaalsContact C-N 3.27Å; G185-M187 PolarHBondContact O-N 3.38Å; G185-K188 WeakPolarHBondContact O-CB 3.35Å; G185-K188 PolarHBondContact O-N 2.96Å
186L94.8Very high93.9Very high1 Ų146.3 Ų46.31%0.00529%0.287CS..G310 helixtrans-56.4-38.3176-17959.1000112.6F112 W118 S184 K188 M189 F190 V200 F202F112-L186 HydrophobicContact CE1-CD1 3.98Å; F112-L186 HydrophobicContact CZ-CD1 3.89Å; W118-L186 HydrophobicContact CB-CD1 4.46Å; W118-L186 HydrophobicContact CD2-CB 4.31Å; W118-L186 HydrophobicContact CD2-CD1 3.92Å; W118-L186 HydrophobicContact CE3-CB 4.27Å; W118-L186 HydrophobicContact CE3-CD1 4.35Å; W118-L186 HydrophobicContact CG-CD1 3.95Å; W118-L186 HydrophobicContact CH2-CB 3.98Å; W118-L186 HydrophobicContact CZ2-CB 4.01Å; W118-L186 HydrophobicContact CZ3-CB 4.12Å; S184-L186 PolarHBondContact O-N 2.9Å; S184-L186 WeakPolarHBondContact OG-CB 3.18Å; S184-L186 PolarHBondContact OG-N 2.77Å; L186-K188 PolarHBondContact O-N 2.82Å; L186-K188 VanDerWaalsContact O-N 3.1Å; L186-M189 HydrophobicContact CD1-CB 4.44Å; L186-M189 HydrophobicContact CD1-CG 4.19Å; L186-M189 VanDerWaalsContact O-CB 3.24Å; L186-M189 WeakPolarHBondContact O-CB 3.33Å; L186-M189 WeakPolarHBondContact O-CG 3.42Å; L186-M189 PolarHBondContact O-N 2.98Å; L186-F190 HydrophobicContact CD1-CE2 4.22Å; L186-F190 HydrophobicContact CG-CE2 4.32Å; L186-F190 WeakPolarHBondContact O-CD2 3.5Å; L186-F190 WeakPolarHBondContact O-CE2 3.42Å; L186-V200 WeakPolarHBondContact CD2-O 3.3Å; L186-F202 HydrophobicContact CD1-CD2 3.78Å; L186-F202 HydrophobicContact CD1-CE2 3.89Å; L186-F202 HydrophobicContact CD2-CD2 3.74Å; L186-F202 HydrophobicContact CD2-CE2 4.3Å; L186-F202 HydrophobicContact CG-CD2 4.38Å
187M94.3Very high93.7Very high23 Ų2347.8 Ų47.811%0.11330%0.295CS..G310 helixtrans-64.9-20-178.5-63.8-569800112.1A182 S184 G185 M194 M199 V200A182-M187 WeakPolarHBondContact O-CG 3.24Å; S184-M187 PolarHBondContact O-N 3.29Å; S184-M187 VanDerWaalsContact O-N 3.08Å; G185-M187 VanDerWaalsContact C-N 3.27Å; G185-M187 PolarHBondContact O-N 3.38Å; M187-M194 HydrophobicContact SD-CG 4.11Å; M187-M199 HydrophobicContact SD-CB 4.16Å; M187-M199 HydrophobicContact SD-CG 4.47Å; M187-V200 HydrophobicContact CE-CB 4.09Å; M187-V200 WeakPolarHBondContact CE-O 3.49Å
188K93.3Very high93.6Very high149 Ų14946.7 Ų46.765%0.64829%0.289SS*.G310 helixtrans-957.3179.4-53.7178.5-176.4175.80113.4K116 G185 L186K116-K188 PolarHBondContact NZ-O 3.23Å; G185-K188 WeakPolarHBondContact O-CB 3.35Å; G185-K188 PolarHBondContact O-N 2.96Å; L186-K188 PolarHBondContact O-N 2.82Å; L186-K188 VanDerWaalsContact O-N 3.1Å
189M94.6Very high93.5Very high11 Ų1147 Ų475%0.05429%0.29CS..SBendtrans-87.2-17-179.9-65.6-68.3-64.400112.9F112 R113 K116 Q117 W118 L186F112-M189 CarbonylContact C-O 3.6Å; F112-M189 WeakPolarHBondContact CA-O 3.4Å; F112-M189 HydrophobicContact CD1-CB 3.93Å; F112-M189 HydrophobicContact CD2-CE 4.22Å; F112-M189 HydrophobicContact CE1-CB 3.84Å; F112-M189 HydrophobicContact CE2-CE 4.2Å; F112-M189 HydrophobicContact CZ-CB 4.4Å; R113-M189 WeakPolarHBondContact CG-O 3.26Å; R113-M189 PolarHBondContact N-O 3.38Å; K116-M189 HydrophobicContact CB-CE 3.3Å; K116-M189 HydrophobicContact CB-SD 3.7Å; K116-M189 HydrophobicContact CD-CE 4.33Å; K116-M189 HydrophobicContact CD-SD 3.58Å; K116-M189 VanDerWaalsContact CD-SD 3.58Å; K116-M189 HydrophobicContact CG-CE 4.47Å; K116-M189 HydrophobicContact CG-SD 4.3Å; Q117-M189 VanDerWaalsContact C-CE 3.44Å; W118-M189 HydrophobicContact CB-CE 4.1Å; W118-M189 HydrophobicContact CE3-CG 4.26Å; W118-M189 HydrophobicContact CE3-SD 4.48Å; L186-M189 HydrophobicContact CD1-CB 4.44Å; L186-M189 HydrophobicContact CD1-CG 4.19Å; L186-M189 VanDerWaalsContact O-CB 3.24Å; L186-M189 WeakPolarHBondContact O-CB 3.33Å; L186-M189 WeakPolarHBondContact O-CG 3.42Å; L186-M189 PolarHBondContact O-N 2.98Å
190F95.3Very high93.5Very high8 Ų845.1 Ų45.14%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-94.4150.6-168.9-63.6-87.1000114I97 F110 Q111 F112 L186 P192 M194 V200 F202I97-F190 HydrophobicContact CD1-CE1 3.72Å; I97-F190 HydrophobicContact CD1-CZ 3.96Å; I97-F190 HydrophobicContact CG1-CE1 4.5Å; F110-F190 HydrophobicContact CB-CB 4.5Å; F110-F190 HydrophobicContact CB-CD1 3.76Å; F110-F190 HydrophobicContact CB-CE1 4.36Å; F110-F190 HydrophobicContact CB-CG 4.38Å; Q111-F190 CarbonylContact O-C 3.57Å; Q111-F190 WeakPolarHBondContact O-CA 3.32Å; F112-F190 AromaticContact CD1-CD1 3.96Å; F112-F190 HydrophobicContact CD1-CD1 3.96Å; F112-F190 AromaticContact CD1-CE1 3.68Å; F112-F190 HydrophobicContact CD1-CE1 3.68Å; F112-F190 HydrophobicContact CD1-CZ 4.01Å; F112-F190 HydrophobicContact CE1-CD1 4.33Å; F112-F190 AromaticContact CE1-CE1 3.7Å; F112-F190 HydrophobicContact CE1-CE1 3.7Å; F112-F190 HydrophobicContact CE1-CE2 4.04Å; F112-F190 AromaticContact CE1-CZ 3.54Å; F112-F190 HydrophobicContact CE1-CZ 3.54Å; L186-F190 HydrophobicContact CD1-CE2 4.22Å; L186-F190 HydrophobicContact CG-CE2 4.32Å; L186-F190 WeakPolarHBondContact O-CD2 3.5Å; L186-F190 WeakPolarHBondContact O-CE2 3.42Å; F190-P192 CarbonylContact C-O 3.57Å; F190-M194 HydrophobicContact CB-CE 4.39Å; F190-M194 HydrophobicContact CD1-CE 4.22Å; F190-M194 HydrophobicContact CD2-CE 3.41Å; F190-M194 VanDerWaalsContact CD2-CE 3.41Å; F190-M194 HydrophobicContact CE1-CE 4.36Å; F190-M194 HydrophobicContact CE2-CE 3.58Å; F190-M194 HydrophobicContact CG-CE 3.75Å; F190-M194 HydrophobicContact CZ-CE 4.05Å; F190-V200 HydrophobicContact CE2-CB 4.29Å; F190-V200 HydrophobicContact CZ-CB 4.15Å; F190-V200 HydrophobicContact CZ-CG1 3.97Å; F190-V200 HydrophobicContact CZ-CG2 4.37Å; F190-F202 HydrophobicContact CZ-CE2 4.02Å; F190-F202 HydrophobicContact CZ-CZ 4.36Å
191T93.3Very high93.5Very high62 Ų6241.4 Ų41.438%0.3826%0.261SS..EExtended strand (participates in β ladder)trans-131.1123.1166.3-174.40000108.7Q111 R113Q111-T191 HydrophobicContact CG-CG2 3.83Å; Q111-T191 VanDerWaalsContact CG-O 3.29Å; Q111-T191 WeakPolarHBondContact CG-O 3.16Å; Q111-T191 PolarHBondContact N-O 3.29Å; Q111-T191 PolarHBondContact O-N 3.08Å; R113-T191 HydrophobicContact CG-CG2 4.2Å
192P93.4Very high93.6Very high68 Ų6841.4 Ų41.444%0.44226%0.261SS..SBendcis-60.5162.6-5.829.6-36.1000112.4F110 F190F110-P192 HydrophobicContact CD1-CG 4.45Å; F190-P192 CarbonylContact C-O 3.57Å
193P91.4Very high93.8Very high108 Ų10840.9 Ų40.970%0.70125%0.254SS*.PPolyproline II helixtrans-53.5143176.5-25.434.4000112
194M92Very high93.9Very high29 Ų2936.7 Ų36.714%0.14323%0.228CC..PPolyproline II helixtrans-58128.4-179.6-169.962.961.700110.6F110 M187 F190 V198 V200F110-M194 HydrophobicContact CE1-SD 4.49Å; F110-M194 HydrophobicContact CE2-SD 4.49Å; F110-M194 HydrophobicContact CG-CE 4.41Å; F110-M194 HydrophobicContact CZ-SD 4.44Å; M187-M194 HydrophobicContact SD-CG 4.11Å; F190-M194 HydrophobicContact CB-CE 4.39Å; F190-M194 HydrophobicContact CD1-CE 4.22Å; F190-M194 HydrophobicContact CD2-CE 3.41Å; F190-M194 VanDerWaalsContact CD2-CE 3.41Å; F190-M194 HydrophobicContact CE1-CE 4.36Å; F190-M194 HydrophobicContact CE2-CE 3.58Å; F190-M194 HydrophobicContact CG-CE 3.75Å; F190-M194 HydrophobicContact CZ-CE 4.05Å; M194-V198 VanDerWaalsContact CG-O 3.23Å; M194-V198 WeakPolarHBondContact CG-O 3.41Å; M194-V198 HydrophobicContact SD-CB 3.91Å; M194-V198 HydrophobicContact SD-CG1 3.68Å; M194-V200 HydrophobicContact CE-CB 4.16Å; M194-V200 HydrophobicContact CE-CG2 3.47Å; M194-V200 VanDerWaalsContact CE-CG2 3.47Å; M194-V200 HydrophobicContact SD-CG2 4.21Å
195P90.3Very high94Very high38 Ų3837.8 Ų37.825%0.24723%0.232CC..PPolyproline II helixtrans-59.2149.7174-26.536.5000112.1F110 D197 V198F110-P195 HydrophobicContact CE1-CG 3.61Å; F110-P195 HydrophobicContact CZ-CG 3.75Å; P195-D197 WeakPolarHBondContact CB-OD1 3.44Å; P195-D197 PolarHBondContact O-N 3.06Å; P195-D197 VanDerWaalsContact O-N 3.13Å; P195-V198 HydrophobicContact CB-CG2 4.39Å; P195-V198 PolarHBondContact O-N 2.88Å; P195-V198 VanDerWaalsContact O-N 3.14Å; P195-V198 VanDerWaalsContact O-O 3.14Å
196G87.9Confident94.1Very high68 Ų6840.1 Ų40.170%0.70123%0.234SC*.THydrogen-bonded Turntrans-67.3-11.6-179.200000114.7
197D91.4Very high94.1Very high82 Ų8240.8 Ų40.844%0.43924%0.239SC..THydrogen-bonded Turntrans-104.69.217865.6-27000113.1P195 Q215 L216P195-D197 WeakPolarHBondContact CB-OD1 3.44Å; P195-D197 PolarHBondContact O-N 3.06Å; P195-D197 VanDerWaalsContact O-N 3.13Å; D197-Q215 CarbonylContact O-C 3.6Å; D197-Q215 WeakPolarHBondContact O-CA 3.24Å; D197-L216 PolarHBondContact O-N 3.33Å
198V93.6Very high94.2Very high6 Ų643.2 Ų43.24%0.03625%0.249CC..EExtended strand (participates in β ladder)trans-132.2139.2177.8-177.90000110.5L99 M194 P195 V213 Y214L99-V198 HydrophobicContact CD2-CG1 4.49Å; L99-V198 HydrophobicContact CD2-CG2 4.47Å; M194-V198 VanDerWaalsContact CG-O 3.23Å; M194-V198 WeakPolarHBondContact CG-O 3.41Å; M194-V198 HydrophobicContact SD-CB 3.91Å; M194-V198 HydrophobicContact SD-CG1 3.68Å; P195-V198 HydrophobicContact CB-CG2 4.39Å; P195-V198 PolarHBondContact O-N 2.88Å; P195-V198 VanDerWaalsContact O-N 3.14Å; P195-V198 VanDerWaalsContact O-O 3.14Å; V198-V213 HydrophobicContact CG1-CG1 3.75Å; V198-Y214 CarbonylContact C-O 3.56Å; V198-Y214 WeakPolarHBondContact CA-O 3.36Å
199M95.2Very high94.4Very high6 Ų636.1 Ų36.13%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-130149.2167.9-58.1-179.2-59.500110.7L178 A182 M187 V213 Y214 L216 F242L178-M199 HydrophobicContact CD2-CE 3.67Å; A182-M199 HydrophobicContact CB-SD 3.53Å; A182-M199 VanDerWaalsContact CB-SD 3.53Å; M187-M199 HydrophobicContact SD-CB 4.16Å; M187-M199 HydrophobicContact SD-CG 4.47Å; M199-V213 CarbonylContact O-C 3.45Å; M199-V213 WeakPolarHBondContact O-CA 3.31Å; M199-Y214 HydrophobicContact CB-CD2 4.38Å; M199-Y214 HydrophobicContact CE-CD2 4.4Å; M199-Y214 HydrophobicContact CE-CG 4.34Å; M199-Y214 PolarHBondContact N-O 3.12Å; M199-Y214 PolarHBondContact O-N 2.83Å; M199-L216 HydrophobicContact CE-CD1 3.91Å; M199-L216 HydrophobicContact CE-CD2 3.75Å; M199-L216 HydrophobicContact CE-CG 4.2Å; M199-L216 HydrophobicContact CG-CD1 3.92Å; M199-L216 HydrophobicContact SD-CD1 3.97Å; M199-F242 HydrophobicContact CE-CE1 4.26Å; M199-F242 HydrophobicContact CE-CZ 4.15Å; M199-F242 HydrophobicContact SD-CZ 4.18Å
200V95.9Very high94.5Very high2 Ų235.6 Ų35.61%0.01222%0.216CC..EExtended strand (participates in β ladder)trans-121.3146.7178.4175.50000110.1I97 L186 M187 F190 M194 F202 L211 T212 V213I97-V200 HydrophobicContact CD1-CG1 3.78Å; I97-V200 HydrophobicContact CD1-CG2 4.07Å; L186-V200 WeakPolarHBondContact CD2-O 3.3Å; M187-V200 HydrophobicContact CE-CB 4.09Å; M187-V200 WeakPolarHBondContact CE-O 3.49Å; F190-V200 HydrophobicContact CE2-CB 4.29Å; F190-V200 HydrophobicContact CZ-CB 4.15Å; F190-V200 HydrophobicContact CZ-CG1 3.97Å; F190-V200 HydrophobicContact CZ-CG2 4.37Å; M194-V200 HydrophobicContact CE-CB 4.16Å; M194-V200 HydrophobicContact CE-CG2 3.47Å; M194-V200 VanDerWaalsContact CE-CG2 3.47Å; M194-V200 HydrophobicContact SD-CG2 4.21Å; V200-F202 HydrophobicContact CG1-CD2 4.35Å; V200-F202 HydrophobicContact CG1-CE1 4.43Å; V200-F202 HydrophobicContact CG1-CE2 3.83Å; V200-F202 HydrophobicContact CG1-CZ 3.9Å; V200-L211 HydrophobicContact CG1-CD1 3.55Å; V200-T212 CarbonylContact C-O 3.57Å; V200-T212 WeakPolarHBondContact CA-O 3.48Å; V200-V213 HydrophobicContact CG2-CG2 4.32Å
201N96.9Very high94.6Very high18 Ų1835.2 Ų35.210%0.09621%0.214CC..EExtended strand (participates in β ladder)trans-138.6145.9168.8-16725000111L181 T212L181-N201 HydrophobicContact CD2-CB 4.03Å; N201-T212 PolarHBondContact N-O 3.1Å; N201-T212 PolarHBondContact O-N 2.88Å
202F97.1Very high94.8Very high8 Ų832.2 Ų32.24%0.03520%0.196CC..EExtended strand (participates in β ladder)trans-124.1134173.8-61.4-71.9000109.9L85 L92 A95 I97 F112 L120 L186 F190 V200 C210 L211L85-F202 HydrophobicContact CD1-CD1 4Å; L85-F202 HydrophobicContact CD1-CE1 3.72Å; L85-F202 HydrophobicContact CD2-CE1 3.58Å; L85-F202 HydrophobicContact CD2-CZ 3.95Å; L85-F202 HydrophobicContact CG-CE1 4.34Å; L92-F202 HydrophobicContact CD2-CB 4.44Å; L92-F202 HydrophobicContact CD2-CD1 4.03Å; L92-F202 HydrophobicContact CD2-CD2 3.71Å; L92-F202 HydrophobicContact CD2-CE1 4.1Å; L92-F202 HydrophobicContact CD2-CE2 3.8Å; L92-F202 HydrophobicContact CD2-CG 3.81Å; L92-F202 HydrophobicContact CD2-CZ 3.97Å; A95-F202 HydrophobicContact CB-CE2 4.33Å; A95-F202 HydrophobicContact CB-CZ 3.76Å; I97-F202 HydrophobicContact CD1-CZ 3.89Å; F112-F202 AromaticContact CE1-CE2 3.87Å; F112-F202 HydrophobicContact CE1-CE2 3.87Å; F112-F202 HydrophobicContact CE1-CZ 4.48Å; F112-F202 HydrophobicContact CZ-CD2 4.37Å; F112-F202 AromaticContact CZ-CE2 3.77Å; F112-F202 HydrophobicContact CZ-CE2 3.77Å; F112-F202 HydrophobicContact CZ-CZ 4.5Å; L120-F202 HydrophobicContact CD2-CB 4.23Å; L186-F202 HydrophobicContact CD1-CD2 3.78Å; L186-F202 HydrophobicContact CD1-CE2 3.89Å; L186-F202 HydrophobicContact CD2-CD2 3.74Å; L186-F202 HydrophobicContact CD2-CE2 4.3Å; L186-F202 HydrophobicContact CG-CD2 4.38Å; F190-F202 HydrophobicContact CZ-CE2 4.02Å; F190-F202 HydrophobicContact CZ-CZ 4.36Å; V200-F202 HydrophobicContact CG1-CD2 4.35Å; V200-F202 HydrophobicContact CG1-CE1 4.43Å; V200-F202 HydrophobicContact CG1-CE2 3.83Å; V200-F202 HydrophobicContact CG1-CZ 3.9Å; F202-C210 WeakPolarHBondContact CA-O 3.39Å; F202-L211 HydrophobicContact CD1-CB 4.16Å; F202-L211 HydrophobicContact CD1-CD1 4.09Å; F202-L211 HydrophobicContact CE1-CB 4.02Å; F202-L211 HydrophobicContact CE1-CD1 3.52Å; F202-L211 HydrophobicContact CE1-CG 4.21Å; F202-L211 HydrophobicContact CZ-CD1 4.04Å
203Y96.9Very high94.9Very high11 Ų1129 Ų294%0.04318%0.175CC..EExtended strand (participates in β ladder)trans-154.7164.4174.458.4-88.3000110.9P173 N205 C210 V234 K256P173-Y203 HydrophobicContact CB-CD2 3.67Å; P173-Y203 HydrophobicContact CB-CE2 4.24Å; P173-Y203 HydrophobicContact CB-CG 4.19Å; P173-Y203 HydrophobicContact CG-CD2 3.64Å; P173-Y203 HydrophobicContact CG-CE2 3.95Å; Y203-N205 HydrophobicContact CD2-CB 4.36Å; Y203-N205 HydrophobicContact CE2-CB 4.17Å; Y203-C210 HydrophobicContact CD1-CB 4.22Å; Y203-C210 HydrophobicContact CD2-CB 3.83Å; Y203-C210 HydrophobicContact CE1-CB 3.87Å; Y203-C210 HydrophobicContact CE2-CB 3.47Å; Y203-C210 VanDerWaalsContact CE2-CB 3.47Å; Y203-C210 HydrophobicContact CG-CB 4.19Å; Y203-C210 VanDerWaalsContact CZ-CB 3.49Å; Y203-C210 PolarHBondContact N-O 3.34Å; Y203-C210 PolarHBondContact O-N 2.76Å; Y203-V234 HydrophobicContact CE2-CG1 4.24Å; Y203-K256 VanDerWaalsContact OH-CE 3.3Å; Y203-K256 WeakPolarHBondContact OH-CE 3.34Å
204I97.4Very high95.2Very high0 Ų024 Ų240%014%0.142CC..EExtended strand (participates in β ladder)trans-97.6133.9170.9-58.9-56000108.9L120 Q122 I123 P173 L206 K208 L209 L264L120-I204 HydrophobicContact CD1-CD1 3.99Å; L120-I204 HydrophobicContact CD1-CG1 4.18Å; Q122-I204 PolarHBondContact NE2-O 3.09Å; Q122-I204 PolarHBondContact OE1-O 3.28Å; I123-I204 HydrophobicContact CD1-CD1 4.23Å; I123-I204 HydrophobicContact CD1-CG1 4.04Å; I123-I204 HydrophobicContact CG1-CG1 3.99Å; P173-I204 WeakPolarHBondContact CG-O 3.19Å; I204-L206 VanDerWaalsContact CG2-O 3.31Å; I204-L206 WeakPolarHBondContact CG2-O 3.39Å; I204-K208 CarbonylContact C-O 3.52Å; I204-K208 WeakPolarHBondContact CA-O 3.46Å; I204-L209 HydrophobicContact CD1-CB 4.15Å; I204-L209 HydrophobicContact CD1-CD1 3.75Å; I204-L264 HydrophobicContact CD1-CD1 3.87Å; I204-L264 HydrophobicContact CG1-CD1 4.25Å; I204-L264 HydrophobicContact CG2-CD1 3.93Å
205N95.8Very high95.3Very high56 Ų5623.6 Ų23.630%0.29914%0.14SC..EExtended strand (participates in β ladder)trans-125.8105.9168.7-177.626000109.1P173 Y203 S207 K208P173-N205 HydrophobicContact CG-CB 4.13Å; Y203-N205 HydrophobicContact CD2-CB 4.36Å; Y203-N205 HydrophobicContact CE2-CB 4.17Å; N205-S207 PolarHBondContact O-N 3.38Å; N205-S207 VanDerWaalsContact O-N 3.16Å; N205-K208 PolarHBondContact N-O 3.47Å; N205-K208 WeakPolarHBondContact O-CB 3.15Å; N205-K208 PolarHBondContact O-N 3.04Å
206L94.9Very high95.5Very high88 Ų8822.5 Ų22.546%0.46113%0.132SC..THydrogen-bonded Turntrans59.8-112.1-171.9-171.870.7000110.1L170 T171 I204 L268L170-L206 PolarHBondContact O-N 2.84Å; T171-L206 HydrophobicContact CG2-CD1 3.66Å; I204-L206 VanDerWaalsContact CG2-O 3.31Å; I204-L206 WeakPolarHBondContact CG2-O 3.39Å; L206-L268 HydrophobicContact CD1-CD1 3.66Å; L206-L268 HydrophobicContact CG-CD1 3.89Å
207S95.1Very high95.8Very high15 Ų1524 Ų2411%0.10512%0.12CC..THydrogen-bonded Turntrans-101.89.6178.158.10000112.8N205 V261N205-S207 PolarHBondContact O-N 3.38Å; N205-S207 VanDerWaalsContact O-N 3.16Å; S207-V261 PolarHBondContact O-N 2.84Å
208K96.5Very high95.9Very high74 Ų7423.7 Ų23.732%0.32212%0.121SC..EExtended strand (participates in β ladder)trans-108.4133.1-174.7-60.7-178.7178.8177.40111.7I204 N205 E258 C259 V260I204-K208 CarbonylContact C-O 3.52Å; I204-K208 WeakPolarHBondContact CA-O 3.46Å; N205-K208 PolarHBondContact N-O 3.47Å; N205-K208 WeakPolarHBondContact O-CB 3.15Å; N205-K208 PolarHBondContact O-N 3.04Å; K208-E258 HydrophobicContact CB-CB 4.39Å; K208-E258 HydrophobicContact CD-CB 4.45Å; K208-E258 HydrophobicContact CD-CG 4.13Å; K208-E258 WeakPolarHBondContact CD-OE1 2.88Å; K208-E258 WeakPolarHBondContact CE-OE1 3.46Å; K208-E258 IonicContact NZ-OE1 3.86Å; K208-E258 PolarHBondContact NZ-OE1 2.85Å; K208-C259 CarbonylContact C-O 3.59Å; K208-C259 VanDerWaalsContact CA-O 3.25Å; K208-C259 WeakPolarHBondContact CA-O 3.39Å; K208-V260 HydrophobicContact CG-CG2 4.13Å
209L97.1Very high95.7Very high0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-82.5120.6164.2177.759.7000108.2L73 L85 L120 I204 E258 C259 V261L73-L209 WeakPolarHBondContact CD2-O 3.34Å; L85-L209 HydrophobicContact CB-CD2 3.99Å; L85-L209 HydrophobicContact CD1-CD2 3.54Å; L85-L209 HydrophobicContact CD1-CG 3.91Å; L85-L209 HydrophobicContact CG-CD2 4.42Å; L120-L209 HydrophobicContact CD1-CD1 4.09Å; I204-L209 HydrophobicContact CD1-CB 4.15Å; I204-L209 HydrophobicContact CD1-CD1 3.75Å; L209-E258 VanDerWaalsContact O-CA 3.24Å; L209-E258 WeakPolarHBondContact O-CA 3.16Å; L209-C259 PolarHBondContact N-O 3.47Å; L209-C259 PolarHBondContact O-N 2.95Å; L209-V261 HydrophobicContact CB-CG2 3.71Å
210C97.1Very high95.4Very high0 Ų026.6 Ų26.60%014%0.14CC..EExtended strand (participates in β ladder)trans-106.5132.5-179.4-62.40000110.2F202 Y203F202-C210 WeakPolarHBondContact CA-O 3.39Å; Y203-C210 HydrophobicContact CD1-CB 4.22Å; Y203-C210 HydrophobicContact CD2-CB 3.83Å; Y203-C210 HydrophobicContact CE1-CB 3.87Å; Y203-C210 HydrophobicContact CE2-CB 3.47Å; Y203-C210 VanDerWaalsContact CE2-CB 3.47Å; Y203-C210 HydrophobicContact CG-CB 4.19Å; Y203-C210 VanDerWaalsContact CZ-CB 3.49Å; Y203-C210 PolarHBondContact N-O 3.34Å; Y203-C210 PolarHBondContact O-N 2.76Å
211L97.3Very high94.6Very high0 Ų033.1 Ų33.10%018%0.182CC..EExtended strand (participates in β ladder)trans-110.7123.316616062.3000107.7L73 V81 L85 I97 V200 F202 V213 K256 V257L73-L211 HydrophobicContact CD2-CB 3.75Å; V81-L211 HydrophobicContact CG1-CD2 3.88Å; V81-L211 HydrophobicContact CG1-CG 4.49Å; L85-L211 HydrophobicContact CD1-CB 4.48Å; I97-L211 HydrophobicContact CD1-CD1 3.78Å; I97-L211 HydrophobicContact CD1-CD2 4.26Å; I97-L211 HydrophobicContact CG1-CD1 4.48Å; I97-L211 HydrophobicContact CG1-CD2 4.07Å; I97-L211 HydrophobicContact CG2-CD2 4.32Å; V200-L211 HydrophobicContact CG1-CD1 3.55Å; F202-L211 HydrophobicContact CD1-CB 4.16Å; F202-L211 HydrophobicContact CD1-CD1 4.09Å; F202-L211 HydrophobicContact CE1-CB 4.02Å; F202-L211 HydrophobicContact CE1-CD1 3.52Å; F202-L211 HydrophobicContact CE1-CG 4.21Å; F202-L211 HydrophobicContact CZ-CD1 4.04Å; L211-V213 HydrophobicContact CD1-CG2 3.95Å; L211-V213 HydrophobicContact CG-CG2 4.3Å; L211-K256 WeakPolarHBondContact O-CA 3.15Å; L211-V257 HydrophobicContact CB-CG2 3.89Å; L211-V257 HydrophobicContact CD2-CG2 3.86Å; L211-V257 HydrophobicContact CG-CG2 3.96Å; L211-V257 PolarHBondContact N-O 2.91Å; L211-V257 PolarHBondContact O-N 3.33Å
212T97.1Very high93.7Very high0 Ų038.5 Ų38.50%021%0.211CC..EExtended strand (participates in β ladder)trans-114.9132.4170.2-55.20000110V200 N201 Y214 L235 V254 H255V200-T212 CarbonylContact C-O 3.57Å; V200-T212 WeakPolarHBondContact CA-O 3.48Å; N201-T212 PolarHBondContact N-O 3.1Å; N201-T212 PolarHBondContact O-N 2.88Å; T212-Y214 HydrophobicContact CG2-CD1 4.46Å; T212-Y214 HydrophobicContact CG2-CD2 4.13Å; T212-Y214 HydrophobicContact CG2-CE1 3.89Å; T212-Y214 HydrophobicContact CG2-CE2 3.55Å; T212-Y214 VanDerWaalsContact CG2-CZ 3.41Å; T212-L235 HydrophobicContact CG2-CD1 3.71Å; T212-V254 HydrophobicContact CG2-CG1 3.93Å; T212-H255 CarbonylContact C-O 3.59Å; T212-H255 WeakPolarHBondContact CA-O 3.47Å
213V96.3Very high92.9Very high1 Ų140 Ų401%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-117.4125.1172.1-173.10000108.9V81 I97 L99 V198 M199 V200 L211 H255V81-V213 HydrophobicContact CG1-CG2 3.94Å; V81-V213 HydrophobicContact CG2-CB 4.19Å; V81-V213 HydrophobicContact CG2-CG2 3.99Å; I97-V213 HydrophobicContact CG2-CG2 4.35Å; L99-V213 HydrophobicContact CD2-CG1 4Å; V198-V213 HydrophobicContact CG1-CG1 3.75Å; M199-V213 CarbonylContact O-C 3.45Å; M199-V213 WeakPolarHBondContact O-CA 3.31Å; V200-V213 HydrophobicContact CG2-CG2 4.32Å; L211-V213 HydrophobicContact CD1-CG2 3.95Å; L211-V213 HydrophobicContact CG-CG2 4.3Å; V213-H255 HydrophobicContact CB-CB 4.35Å; V213-H255 PolarHBondContact N-O 2.8Å; V213-H255 PolarHBondContact O-N 3Å
214Y96.6Very high92Very high1 Ų146.3 Ų46.30%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-104.3126.3175.2-62-77.7000109.1L181 V198 M199 T212 H236 V251 V254L181-Y214 HydrophobicContact CD1-CE2 4Å; V198-Y214 CarbonylContact C-O 3.56Å; V198-Y214 WeakPolarHBondContact CA-O 3.36Å; M199-Y214 HydrophobicContact CB-CD2 4.38Å; M199-Y214 HydrophobicContact CE-CD2 4.4Å; M199-Y214 HydrophobicContact CE-CG 4.34Å; M199-Y214 PolarHBondContact N-O 3.12Å; M199-Y214 PolarHBondContact O-N 2.83Å; T212-Y214 HydrophobicContact CG2-CD1 4.46Å; T212-Y214 HydrophobicContact CG2-CD2 4.13Å; T212-Y214 HydrophobicContact CG2-CE1 3.89Å; T212-Y214 HydrophobicContact CG2-CE2 3.55Å; T212-Y214 VanDerWaalsContact CG2-CZ 3.41Å; Y214-H236 HydrophobicContact CE1-CB 3.76Å; Y214-H236 PolarHBondContact OH-N 2.99Å; Y214-V251 HydrophobicContact CD1-CG1 3.96Å; Y214-V254 HydrophobicContact CD1-CB 4.47Å; Y214-V254 HydrophobicContact CD1-CG1 4.13Å; Y214-V254 HydrophobicContact CD1-CG2 3.87Å; Y214-V254 HydrophobicContact CE1-CB 4.48Å; Y214-V254 HydrophobicContact CE1-CG1 3.76Å; Y214-V254 HydrophobicContact CE1-CG2 3.97Å
215Q94.8Very high91.3Very high21 Ų2151 Ų5110%0.09828%0.281CS..EExtended strand (participates in β ladder)trans-97130.2166.9-69.1-178.7-14.800109L99 D197 S252 H253L99-Q215 HydrophobicContact CD2-CG 4.33Å; D197-Q215 CarbonylContact O-C 3.6Å; D197-Q215 WeakPolarHBondContact O-CA 3.24Å; Q215-S252 WeakPolarHBondContact CB-OG 3.18Å; Q215-S252 PolarHBondContact O-N 3.31Å; Q215-S252 PolarHBondContact O-OG 2.95Å; Q215-H253 HydrophobicContact CB-CB 4.2Å; Q215-H253 PolarHBondContact N-O 2.83Å; Q215-H253 PolarHBondContact O-N 3.47Å; Q215-H253 PolarHBondContact OE1-ND1 2.91Å
216L94.9Very high90.9Very high16 Ų1655.9 Ų55.98%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-107.7148.9-174.8-56.5-179.5000111.1D197 M199 F242 F249 E250 V251D197-L216 PolarHBondContact O-N 3.33Å; M199-L216 HydrophobicContact CE-CD1 3.91Å; M199-L216 HydrophobicContact CE-CD2 3.75Å; M199-L216 HydrophobicContact CE-CG 4.2Å; M199-L216 HydrophobicContact CG-CD1 3.92Å; M199-L216 HydrophobicContact SD-CD1 3.97Å; L216-F242 HydrophobicContact CD1-CE1 4.1Å; L216-F242 HydrophobicContact CD1-CZ 3.75Å; L216-F242 HydrophobicContact CD2-CE1 3.83Å; L216-F242 HydrophobicContact CD2-CZ 4.34Å; L216-F249 HydrophobicContact CB-CD1 4.13Å; L216-F249 HydrophobicContact CD1-CD1 4.13Å; L216-E250 CarbonylContact C-O 3.35Å; L216-E250 WeakPolarHBondContact CA-O 3.2Å; L216-V251 HydrophobicContact CD2-CG2 3.91Å
217H93.4Very high90.6Very high98 Ų9854 Ų5445%0.45430%0.296SS..EExtended strand (participates in β ladder)trans-121.8125.2171.2177.4-88.4000108.6L219 F249 E250H217-L219 PolarHBondContact O-N 3.48Å; H217-F249 WeakPolarHBondContact O-CA 3.47Å; H217-E250 PolarHBondContact N-O 2.8Å; H217-E250 PolarHBondContact O-N 2.83Å
218V93.1Very high90.4Very high76 Ų7661.4 Ų61.446%0.46133%0.326SS..EExtended strand (participates in β ladder)trans-73.1122.7175.8-174.30000108.6F249V218-F249 HydrophobicContact CG2-CD1 3.92Å; V218-F249 HydrophobicContact CG2-CE1 3.59Å; V218-F249 HydrophobicContact CG2-CZ 4.43Å
219L90.6Very high90.2Very high13 Ų1361.9 Ų61.97%0.06834%0.337CS..PPolyproline II helixtrans-76.9129.7175.8-67.5176.9000109.6H217 T223 K225 F227 M241 R248 E250H217-L219 PolarHBondContact O-N 3.48Å; L219-T223 HydrophobicContact CB-CG2 4.41Å; L219-K225 HydrophobicContact CD2-CD 4.45Å; L219-F227 HydrophobicContact CD1-CD2 4.24Å; L219-M241 HydrophobicContact CD1-CG 4.49Å; L219-M241 HydrophobicContact CD1-SD 4.08Å; L219-R248 HydrophobicContact CB-CB 4.07Å; L219-R248 HydrophobicContact CD1-CB 4.29Å; L219-R248 PolarHBondContact N-O 2.96Å; L219-E250 HydrophobicContact CD1-CB 4.32Å; L219-E250 HydrophobicContact CD2-CB 4.05Å; L219-E250 WeakPolarHBondContact CD2-OE2 3.4Å; L219-E250 HydrophobicContact CG-CB 4.13Å
220P88.2Confident90.2Very high61 Ų6164.5 Ų64.540%0.39635%0.353SS..PPolyproline II helixtrans-68.4150.6177.429.3-34.3000110.7N222 T223P220-N222 WeakPolarHBondContact CB-OD1 3.38Å; P220-N222 PolarHBondContact O-N 3.46Å; P220-N222 VanDerWaalsContact O-N 3.13Å; P220-T223 WeakPolarHBondContact O-CB 3.4Å; P220-T223 WeakPolarHBondContact O-CG2 3.24Å; P220-T223 PolarHBondContact O-N 2.98Å
221P79.6Confident90.1Very high138 Ų13866.9 Ų66.990%0.89638%0.377SS*.THydrogen-bonded Turntrans-63.6-22.7-173.723.9-33.8000113.7
222N78.3Confident90.1Very high132 Ų13270.4 Ų70.471%0.70640%0.402SS*.THydrogen-bonded Turntrans-93.713.9178.665.7-12000113.7P220 T224P220-N222 WeakPolarHBondContact CB-OD1 3.38Å; P220-N222 PolarHBondContact O-N 3.46Å; P220-N222 VanDerWaalsContact O-N 3.13Å; N222-T224 PolarHBondContact O-N 3.22Å
223T80.6Confident90.1Very high39 Ų3972.4 Ų72.424%0.23942%0.416CS..  trans-62.3135.1-179.1-168.50000111.7L219 P220 K225L219-T223 HydrophobicContact CB-CG2 4.41Å; P220-T223 WeakPolarHBondContact O-CB 3.4Å; P220-T223 WeakPolarHBondContact O-CG2 3.24Å; P220-T223 PolarHBondContact O-N 2.98Å; T223-K225 VanDerWaalsContact C-N 3.27Å; T223-K225 PolarHBondContact OG1-N 3.48Å
224T78.1Confident90Very high143 Ų14374.4 Ų74.488%0.87743%0.428SS*.  trans-84.8-2.6172.5550000112.5N222 N226N222-T224 PolarHBondContact O-N 3.22Å; T224-N226 PolarHBondContact O-N 3.2Å
225K82.3Confident90Very high99 Ų9976.9 Ų76.943%0.4344%0.441SS..SBendtrans-65.5130.9175.8-75.1-170.9176-174.40109.8L219 T223 F227 M241 E250L219-K225 HydrophobicContact CD2-CD 4.45Å; T223-K225 VanDerWaalsContact C-N 3.27Å; T223-K225 PolarHBondContact OG1-N 3.48Å; K225-F227 PolarHBondContact O-N 2.9Å; K225-M241 HydrophobicContact CD-CE 4.12Å; K225-E250 IonicContact NZ-OE1 2.85Å; K225-E250 PolarHBondContact NZ-OE1 2.78Å; K225-E250 IonicContact NZ-OE2 2.69Å; K225-E250 PolarHBondContact NZ-OE2 3.32Å
226N86.6Confident90.1Very high158 Ų15876 Ų7685%0.84544%0.437SS*.  trans-62.1108.4169.4-78-26.6000109.5T224 K228T224-N226 PolarHBondContact O-N 3.2Å; N226-K228 PolarHBondContact O-N 2.79Å
227F89.7Confident90.2Very high49 Ų4980.5 Ų80.522%0.21546%0.461CS..  trans-79.8116.2178.3179.8-98.8000110.1L219 K225 P229 M241 E243 R248L219-F227 HydrophobicContact CD1-CD2 4.24Å; K225-F227 PolarHBondContact O-N 2.9Å; F227-P229 HydrophobicContact CE1-CB 4.48Å; F227-M241 HydrophobicContact CD2-CB 4.02Å; F227-M241 HydrophobicContact CD2-SD 4.11Å; F227-M241 HydrophobicContact CE2-CB 3.82Å; F227-E243 HydrophobicContact CE1-CB 4.43Å; F227-E243 HydrophobicContact CZ-CB 3.94Å; F227-R248 HydrophobicContact CD2-CB 4.21Å; F227-R248 HydrophobicContact CD2-CG 4.1Å; F227-R248 HydrophobicContact CE2-CB 3.87Å; F227-R248 HydrophobicContact CE2-CG 3.79Å; F227-R248 HydrophobicContact CZ-CG 4.02Å
228K91.3Very high90.3Very high170 Ų17079.7 Ų79.774%0.73946%0.464SS*.  trans-128.9113.6172.5-172.4176.6-179.7179.70109.2N226 T230N226-K228 PolarHBondContact O-N 2.79Å; K228-T230 PolarHBondContact O-N 2.85Å
229P92.4Very high90.4Very high85 Ų8577.7 Ų77.755%0.55246%0.459SS*.BIsolated β-bridgetrans-63.1134.5179.225.2-32.2000110.3F227 M241F227-P229 HydrophobicContact CE1-CB 4.48Å; P229-M241 CarbonylContact C-O 3.6Å; P229-M241 WeakPolarHBondContact CA-O 3.37Å
230T95.1Very high90.7Very high55 Ų5577.5 Ų77.534%0.33746%0.459SS..  trans-79.5137.4179.1-55.60000110K228 A240 M241K228-T230 PolarHBondContact O-N 2.85Å; T230-A240 HydrophobicContact CG2-CB 4.14Å; T230-A240 WeakPolarHBondContact OG1-CA 3.4Å; T230-M241 PolarHBondContact N-O 3.08Å; T230-M241 PolarHBondContact OG1-N 3.22Å; T230-M241 PolarHBondContact OG1-O 2.69Å
231G96.4Very high91.1Very high50 Ų5075.7 Ų75.752%0.51545%0.446SS..  trans-73.3-170.9175.900000113H236G231-H236 PolarHBondContact O-CE1 2.94Å
232S96.9Very high91.9Very high73 Ų7369.3 Ų69.351%0.5140%0.404SS..  trans-68.5138.8-179-46.70000112.1T177T177-S232 VanDerWaalsContact CG2-OG 3.22Å; T177-S232 WeakPolarHBondContact CG2-OG 3.44Å
233S96.5Very high92.6Very high42 Ų4267.1 Ų67.129%0.29439%0.389SS..BIsolated β-bridgetrans-147.4154.6173-175.30000110.2L176 L235L176-S233 PolarHBondContact N-O 3.25Å; L176-S233 PolarHBondContact O-N 2.83Å; S233-L235 VanDerWaalsContact C-N 3.33Å; S233-L235 VanDerWaalsContact OG-C 3.31Å; S233-L235 PolarHBondContact OG-N 2.89Å; S233-L235 PolarHBondContact OG-O 3.01Å
234V94.6Very high93.2Very high43 Ų4367 Ų6726%0.26139%0.387SS..SBendtrans-68.9-37.3167.8171.50000110.5P173 Y203P173-V234 HydrophobicContact CB-CG1 3.68Å; P173-V234 HydrophobicContact CB-CG2 4.15Å; P173-V234 HydrophobicContact CG-CG1 3.9Å; Y203-V234 HydrophobicContact CE2-CG1 4.24Å
235L96.8Very high93.7Very high53 Ų5366.7 Ų66.728%0.27738%0.38SS..SBendtrans-137.4113.1178.5-175.669.6000108.7T212 S233 V254 K256T212-L235 HydrophobicContact CG2-CD1 3.71Å; S233-L235 VanDerWaalsContact C-N 3.33Å; S233-L235 VanDerWaalsContact OG-C 3.31Å; S233-L235 PolarHBondContact OG-N 2.89Å; S233-L235 PolarHBondContact OG-O 3.01Å; L235-V254 HydrophobicContact CD1-CG1 3.81Å; L235-K256 HydrophobicContact CD1-CD 4.47Å; L235-K256 HydrophobicContact CD2-CD 4.27Å
236H97.3Very high93.9Very high4 Ų469 Ų692%0.01940%0.397CS..PPolyproline II helixtrans-74.1147.4169.9-63.3-82.1000110.7L176 L178 Y214 G231 A240 V254L176-H236 PolarHBondContact O-CE1 3.28Å; L176-H236 PolarHBondContact O-NE2 2.91Å; L178-H236 HydrophobicContact CD2-CB 3.95Å; L178-H236 HydrophobicContact CG-CB 4.41Å; Y214-H236 HydrophobicContact CE1-CB 3.76Å; Y214-H236 PolarHBondContact OH-N 2.99Å; G231-H236 PolarHBondContact O-CE1 2.94Å; H236-A240 HydrophobicContact CB-CB 4.26Å; H236-V254 WeakPolarHBondContact O-CG2 3.43Å
237N96.2Very high94.1Very high110 Ų11065.4 Ų65.459%0.58838%0.378SS*.PPolyproline II helixtrans-99.7160178.3-66.2-42000110.9G239 A240N237-G239 PolarHBondContact O-N 3.4Å; N237-A240 VanDerWaalsContact O-CB 3.23Å; N237-A240 WeakPolarHBondContact O-CB 3.43Å; N237-A240 PolarHBondContact O-N 2.95Å; N237-A240 VanDerWaalsContact O-N 3.14Å
238P96.4Very high94.3Very high81 Ų8168 Ų6853%0.52639%0.386SS..THydrogen-bonded Turntrans-51.7139.6166.1-25.435.4000111.7A240 V251 V254P238-A240 VanDerWaalsContact C-N 3.35Å; P238-V251 CarbonylContact C-O 3.44Å; P238-V251 WeakPolarHBondContact CA-O 3.47Å; P238-V254 HydrophobicContact CG-CG2 3.98Å
239G94.9Very high94.5Very high34 Ų3460.9 Ų60.935%0.35136%0.355SS..THydrogen-bonded Turntrans88.2-7.3-17400000114.7N237 M241 V251N237-G239 PolarHBondContact O-N 3.4Å; G239-M241 WeakPolarHBondContact O-CG 3.36Å; G239-M241 PolarHBondContact O-N 3.39Å; G239-V251 PolarHBondContact N-O 2.89Å
240A96.6Very high94.6Very high9 Ų958.2 Ų58.27%0.07434%0.336CS..  trans-63.3132.1172.500000110.4L178 T230 H236 N237 P238 E250 V251L178-A240 HydrophobicContact CD1-CB 3.83Å; T230-A240 HydrophobicContact CG2-CB 4.14Å; T230-A240 WeakPolarHBondContact OG1-CA 3.4Å; H236-A240 HydrophobicContact CB-CB 4.26Å; N237-A240 VanDerWaalsContact O-CB 3.23Å; N237-A240 WeakPolarHBondContact O-CB 3.43Å; N237-A240 PolarHBondContact O-N 2.95Å; N237-A240 VanDerWaalsContact O-N 3.14Å; P238-A240 VanDerWaalsContact C-N 3.35Å; A240-E250 CarbonylContact O-C 3.58Å; A240-E250 WeakPolarHBondContact O-CA 3.46Å; A240-V251 HydrophobicContact CB-CB 4.35Å; A240-V251 HydrophobicContact CB-CG2 4.05Å; A240-V251 PolarHBondContact O-N 2.63Å
241M96.1Very high94.7Very high23 Ų2355.6 Ų55.611%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-115.1147.1-175.8-57.9-179.5-168.300111.3L219 K225 F227 P229 T230 G239 F249 E250L219-M241 HydrophobicContact CD1-CG 4.49Å; L219-M241 HydrophobicContact CD1-SD 4.08Å; K225-M241 HydrophobicContact CD-CE 4.12Å; F227-M241 HydrophobicContact CD2-CB 4.02Å; F227-M241 HydrophobicContact CD2-SD 4.11Å; F227-M241 HydrophobicContact CE2-CB 3.82Å; P229-M241 CarbonylContact C-O 3.6Å; P229-M241 WeakPolarHBondContact CA-O 3.37Å; T230-M241 PolarHBondContact N-O 3.08Å; T230-M241 PolarHBondContact OG1-N 3.22Å; T230-M241 PolarHBondContact OG1-O 2.69Å; G239-M241 WeakPolarHBondContact O-CG 3.36Å; G239-M241 PolarHBondContact O-N 3.39Å; M241-F249 VanDerWaalsContact CA-O 3.25Å; M241-F249 WeakPolarHBondContact CA-O 3.33Å; M241-E250 HydrophobicContact CE-CG 4.48Å; M241-E250 HydrophobicContact CG-CB 4.33Å; M241-E250 HydrophobicContact CG-CG 4.29Å
242F96.2Very high94.6Very high3 Ų355.2 Ų55.21%0.01331%0.309CS..EExtended strand (participates in β ladder)trans-153.5167173.271.7-75.2000111.4L178 P179 A182 M199 L216 L244 F249L178-F242 HydrophobicContact CB-CB 3.86Å; L178-F242 HydrophobicContact CB-CD1 3.47Å; L178-F242 VanDerWaalsContact CB-CD1 3.47Å; L178-F242 HydrophobicContact CB-CD2 3.98Å; L178-F242 HydrophobicContact CB-CE1 3.88Å; L178-F242 HydrophobicContact CB-CE2 4.36Å; L178-F242 HydrophobicContact CB-CG 3.5Å; L178-F242 VanDerWaalsContact CB-CG 3.5Å; L178-F242 HydrophobicContact CB-CZ 4.3Å; L178-F242 HydrophobicContact CD1-CB 4.25Å; L178-F242 HydrophobicContact CD1-CD1 3.53Å; L178-F242 HydrophobicContact CD1-CE1 4.18Å; L178-F242 HydrophobicContact CD1-CG 4.17Å; L178-F242 HydrophobicContact CG-CD1 4.05Å; L178-F242 HydrophobicContact CG-CE1 4.44Å; L178-F242 HydrophobicContact CG-CG 4.46Å; P179-F242 HydrophobicContact CG-CB 4.13Å; P179-F242 HydrophobicContact CG-CD2 3.93Å; P179-F242 HydrophobicContact CG-CG 4.44Å; A182-F242 HydrophobicContact CB-CE2 4.33Å; M199-F242 HydrophobicContact CE-CE1 4.26Å; M199-F242 HydrophobicContact CE-CZ 4.15Å; M199-F242 HydrophobicContact SD-CZ 4.18Å; L216-F242 HydrophobicContact CD1-CE1 4.1Å; L216-F242 HydrophobicContact CD1-CZ 3.75Å; L216-F242 HydrophobicContact CD2-CE1 3.83Å; L216-F242 HydrophobicContact CD2-CZ 4.34Å; F242-L244 HydrophobicContact CD2-CB 4.25Å; F242-L244 HydrophobicContact CE2-CB 3.96Å; F242-L244 HydrophobicContact CE2-CD2 4.46Å; F242-F249 HydrophobicContact CD1-CB 3.85Å; F242-F249 HydrophobicContact CE1-CB 3.4Å; F242-F249 VanDerWaalsContact CE1-CB 3.4Å; F242-F249 HydrophobicContact CE1-CG 4.19Å; F242-F249 HydrophobicContact CE2-CB 4.35Å; F242-F249 HydrophobicContact CE2-CD2 4.07Å; F242-F249 HydrophobicContact CE2-CG 4.43Å; F242-F249 HydrophobicContact CZ-CB 3.7Å; F242-F249 HydrophobicContact CZ-CD2 4.07Å; F242-F249 AromaticContact CZ-CG 3.96Å; F242-F249 HydrophobicContact CZ-CG 3.96Å; F242-F249 PolarHBondContact N-O 3Å; F242-F249 PolarHBondContact O-N 2.77Å
243E93.6Very high94.5Very high86 Ų8655 Ų5540%0.40230%0.3SS..EExtended strand (participates in β ladder)trans-118136.9177.1-169.6173.1151.800109.5F227 N247 R248F227-E243 HydrophobicContact CE1-CB 4.43Å; F227-E243 HydrophobicContact CZ-CB 3.94Å; E243-N247 WeakPolarHBondContact CA-O 3.3Å; E243-R248 HydrophobicContact CG-CG 4.33Å; E243-R248 IonicContact OE2-NE 3.97Å
244L92.5Very high94.5Very high36 Ų3654.8 Ų54.819%0.18830%0.296CS..EExtended strand (participates in β ladder)trans-148.2128.4176.1-177.770.2000109.3A182 T183 F242 N246 N247 F249A182-L244 HydrophobicContact CB-CD2 3.65Å; T183-L244 HydrophobicContact CG2-CD1 3.78Å; F242-L244 HydrophobicContact CD2-CB 4.25Å; F242-L244 HydrophobicContact CE2-CB 3.96Å; F242-L244 HydrophobicContact CE2-CD2 4.46Å; L244-N246 VanDerWaalsContact C-N 3.31Å; L244-N246 PolarHBondContact O-N 3.16Å; L244-N247 PolarHBondContact N-O 3.3Å; L244-N247 WeakPolarHBondContact O-CB 3.45Å; L244-N247 PolarHBondContact O-N 3.37Å; L244-F249 HydrophobicContact CB-CD2 4.37Å; L244-F249 HydrophobicContact CB-CE2 4.07Å
245N88.7Confident94.5Very high137 Ų13753.7 Ų53.773%0.73329%0.289SS*.THydrogen-bonded Turntrans50.746.6178.5-57.1-31.1000113.2N247N245-N247 PolarHBondContact O-N 2.81Å; N245-N247 VanDerWaalsContact O-N 3.09Å
246N87.1Confident94.4Very high147 Ų14754.9 Ų54.979%0.78629%0.292SS*.THydrogen-bonded Turntrans62.26.8-176.2-59-4.7000115.7L244L244-N246 VanDerWaalsContact C-N 3.31Å; L244-N246 PolarHBondContact O-N 3.16Å
247N91.1Very high94.4Very high83 Ų8355.1 Ų55.144%0.44429%0.293SS..EExtended strand (participates in β ladder)trans-101.4138.6172.2-68.7-47000109.9E243 L244 N245 F249E243-N247 WeakPolarHBondContact CA-O 3.3Å; L244-N247 PolarHBondContact N-O 3.3Å; L244-N247 WeakPolarHBondContact O-CB 3.45Å; L244-N247 PolarHBondContact O-N 3.37Å; N245-N247 PolarHBondContact O-N 2.81Å; N245-N247 VanDerWaalsContact O-N 3.09Å; N247-F249 HydrophobicContact CB-CD2 4.3Å; N247-F249 HydrophobicContact CB-CE2 3.5Å; N247-F249 HydrophobicContact CB-CZ 3.84Å; N247-F249 WeakPolarHBondContact O-CD2 3.46Å
248R93.8Very high94.4Very high103 Ų10353.4 Ų53.439%0.38928%0.282SS..EExtended strand (participates in β ladder)trans-97.5131.4174.4-67.2177.8-179.6169.12.9109.2L219 F227 E243L219-R248 HydrophobicContact CB-CB 4.07Å; L219-R248 HydrophobicContact CD1-CB 4.29Å; L219-R248 PolarHBondContact N-O 2.96Å; F227-R248 HydrophobicContact CD2-CB 4.21Å; F227-R248 HydrophobicContact CD2-CG 4.1Å; F227-R248 HydrophobicContact CE2-CB 3.87Å; F227-R248 HydrophobicContact CE2-CG 3.79Å; F227-R248 HydrophobicContact CZ-CG 4.02Å; E243-R248 HydrophobicContact CG-CG 4.33Å; E243-R248 IonicContact OE2-NE 3.97Å
249F95.3Very high94.3Very high21 Ų2150.8 Ų50.89%0.09227%0.265CS..EExtended strand (participates in β ladder)trans-120.7147.8-179.1-64.2-93.4000110.2L216 H217 V218 M241 F242 L244 N247L216-F249 HydrophobicContact CB-CD1 4.13Å; L216-F249 HydrophobicContact CD1-CD1 4.13Å; H217-F249 WeakPolarHBondContact O-CA 3.47Å; V218-F249 HydrophobicContact CG2-CD1 3.92Å; V218-F249 HydrophobicContact CG2-CE1 3.59Å; V218-F249 HydrophobicContact CG2-CZ 4.43Å; M241-F249 VanDerWaalsContact CA-O 3.25Å; M241-F249 WeakPolarHBondContact CA-O 3.33Å; F242-F249 HydrophobicContact CD1-CB 3.85Å; F242-F249 HydrophobicContact CE1-CB 3.4Å; F242-F249 VanDerWaalsContact CE1-CB 3.4Å; F242-F249 HydrophobicContact CE1-CG 4.19Å; F242-F249 HydrophobicContact CE2-CB 4.35Å; F242-F249 HydrophobicContact CE2-CD2 4.07Å; F242-F249 HydrophobicContact CE2-CG 4.43Å; F242-F249 HydrophobicContact CZ-CB 3.7Å; F242-F249 HydrophobicContact CZ-CD2 4.07Å; F242-F249 AromaticContact CZ-CG 3.96Å; F242-F249 HydrophobicContact CZ-CG 3.96Å; F242-F249 PolarHBondContact N-O 3Å; F242-F249 PolarHBondContact O-N 2.77Å; L244-F249 HydrophobicContact CB-CD2 4.37Å; L244-F249 HydrophobicContact CB-CE2 4.07Å; N247-F249 HydrophobicContact CB-CD2 4.3Å; N247-F249 HydrophobicContact CB-CE2 3.5Å; N247-F249 HydrophobicContact CB-CZ 3.84Å; N247-F249 WeakPolarHBondContact O-CD2 3.46Å
250E95.6Very high94.4Very high29 Ų2952.5 Ų52.514%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-121.7134.3169.7-178.8177.2-158.100108.7L216 H217 L219 K225 A240 M241 S252L216-E250 CarbonylContact C-O 3.35Å; L216-E250 WeakPolarHBondContact CA-O 3.2Å; H217-E250 PolarHBondContact N-O 2.8Å; H217-E250 PolarHBondContact O-N 2.83Å; L219-E250 HydrophobicContact CD1-CB 4.32Å; L219-E250 HydrophobicContact CD2-CB 4.05Å; L219-E250 WeakPolarHBondContact CD2-OE2 3.4Å; L219-E250 HydrophobicContact CG-CB 4.13Å; K225-E250 IonicContact NZ-OE1 2.85Å; K225-E250 PolarHBondContact NZ-OE1 2.78Å; K225-E250 IonicContact NZ-OE2 2.69Å; K225-E250 PolarHBondContact NZ-OE2 3.32Å; A240-E250 CarbonylContact O-C 3.58Å; A240-E250 WeakPolarHBondContact O-CA 3.46Å; M241-E250 HydrophobicContact CE-CG 4.48Å; M241-E250 HydrophobicContact CG-CB 4.33Å; M241-E250 HydrophobicContact CG-CG 4.29Å; E250-S252 PolarHBondContact O-N 3.22Å
251V96.9Very high94.3Very high1 Ų152 Ų521%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-70.5113.3172.4178.60000108.3L178 Y214 L216 P238 G239 A240 V254L178-V251 HydrophobicContact CD1-CG2 3.79Å; L178-V251 HydrophobicContact CD2-CG2 3.91Å; Y214-V251 HydrophobicContact CD1-CG1 3.96Å; L216-V251 HydrophobicContact CD2-CG2 3.91Å; P238-V251 CarbonylContact C-O 3.44Å; P238-V251 WeakPolarHBondContact CA-O 3.47Å; G239-V251 PolarHBondContact N-O 2.89Å; A240-V251 HydrophobicContact CB-CB 4.35Å; A240-V251 HydrophobicContact CB-CG2 4.05Å; A240-V251 PolarHBondContact O-N 2.63Å; V251-V254 HydrophobicContact CG1-CG2 3.55Å
252S94.3Very high94.2Very high41 Ų4153.6 Ų53.629%0.28728%0.277SS..EExtended strand (participates in β ladder)trans-83-44.9179.266.70000112.1Q215 E250Q215-S252 WeakPolarHBondContact CB-OG 3.18Å; Q215-S252 PolarHBondContact O-N 3.31Å; Q215-S252 PolarHBondContact O-OG 2.95Å; E250-S252 PolarHBondContact O-N 3.22Å
253H94.6Very high94Very high70 Ų7053.8 Ų53.832%0.32428%0.277SS..EExtended strand (participates in β ladder)trans-141.2152.4-179.1-57.483.6000110.7Q215Q215-H253 HydrophobicContact CB-CB 4.2Å; Q215-H253 PolarHBondContact N-O 2.83Å; Q215-H253 PolarHBondContact O-N 3.47Å; Q215-H253 PolarHBondContact OE1-ND1 2.91Å
254V96.1Very high94.1Very high36 Ų3649.7 Ų49.722%0.21826%0.258CS..EExtended strand (participates in β ladder)trans-131.1120177.8-174.80000107.6T212 Y214 L235 H236 P238 V251T212-V254 HydrophobicContact CG2-CG1 3.93Å; Y214-V254 HydrophobicContact CD1-CB 4.47Å; Y214-V254 HydrophobicContact CD1-CG1 4.13Å; Y214-V254 HydrophobicContact CD1-CG2 3.87Å; Y214-V254 HydrophobicContact CE1-CB 4.48Å; Y214-V254 HydrophobicContact CE1-CG1 3.76Å; Y214-V254 HydrophobicContact CE1-CG2 3.97Å; L235-V254 HydrophobicContact CD1-CG1 3.81Å; H236-V254 WeakPolarHBondContact O-CG2 3.43Å; P238-V254 HydrophobicContact CG-CG2 3.98Å; V251-V254 HydrophobicContact CG1-CG2 3.55Å
255H94.8Very high94.2Very high21 Ų2150.1 Ų50.110%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-113.5114.9175.6-51.8-72.7000108Q80 V81 T212 V213Q80-H255 PolarHBondContact OE1-CE1 2.87Å; Q80-H255 VanDerWaalsContact OE1-CE1 3.22Å; V81-H255 HydrophobicContact CB-CB 4.11Å; V81-H255 HydrophobicContact CG2-CB 3.38Å; T212-H255 CarbonylContact C-O 3.59Å; T212-H255 WeakPolarHBondContact CA-O 3.47Å; V213-H255 HydrophobicContact CB-CB 4.35Å; V213-H255 PolarHBondContact N-O 2.8Å; V213-H255 PolarHBondContact O-N 3Å
256K95.3Very high94.4Very high78 Ų7847 Ų4734%0.33925%0.247SC..EExtended strand (participates in β ladder)trans-115.3125175.6-178-172.1168.1-165.70108.7Y203 L211 L235 E258Y203-K256 VanDerWaalsContact OH-CE 3.3Å; Y203-K256 WeakPolarHBondContact OH-CE 3.34Å; L211-K256 WeakPolarHBondContact O-CA 3.15Å; L235-K256 HydrophobicContact CD1-CD 4.47Å; L235-K256 HydrophobicContact CD2-CD 4.27Å; K256-E258 WeakPolarHBondContact CE-OE2 3.49Å; K256-E258 IonicContact NZ-OE2 2.98Å; K256-E258 PolarHBondContact NZ-OE2 3.18Å
257V96Very high94.8Very high9 Ų940 Ų406%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-126.7149.4172.1-65.20000109.1L73 V81 L211L73-V257 HydrophobicContact CB-CB 4.05Å; L73-V257 HydrophobicContact CB-CG2 3.63Å; L73-V257 HydrophobicContact CD2-CG2 4.25Å; V81-V257 HydrophobicContact CB-CG1 4.47Å; V81-V257 HydrophobicContact CG1-CG2 4.1Å; L211-V257 HydrophobicContact CB-CG2 3.89Å; L211-V257 HydrophobicContact CD2-CG2 3.86Å; L211-V257 HydrophobicContact CG-CG2 3.96Å; L211-V257 PolarHBondContact N-O 2.91Å; L211-V257 PolarHBondContact O-N 3.33Å
258E95.8Very high95Very high73 Ų7336.9 Ų36.934%0.34119%0.193SC..EExtended strand (participates in β ladder)trans-144.8149-175.757.1-176.1-140.200111.5K208 L209 K256K208-E258 HydrophobicContact CB-CB 4.39Å; K208-E258 HydrophobicContact CD-CB 4.45Å; K208-E258 HydrophobicContact CD-CG 4.13Å; K208-E258 WeakPolarHBondContact CD-OE1 2.88Å; K208-E258 WeakPolarHBondContact CE-OE1 3.46Å; K208-E258 IonicContact NZ-OE1 3.86Å; K208-E258 PolarHBondContact NZ-OE1 2.85Å; L209-E258 VanDerWaalsContact O-CA 3.24Å; L209-E258 WeakPolarHBondContact O-CA 3.16Å; K256-E258 WeakPolarHBondContact CE-OE2 3.49Å; K256-E258 IonicContact NZ-OE2 2.98Å; K256-E258 PolarHBondContact NZ-OE2 3.18Å
259C95.5Very high95.1Very high27 Ų2735.5 Ų35.518%0.18220%0.196CC..EExtended strand (participates in β ladder)trans-134.3141.8175.3-176.40000109.2F71 L73 K208 L209F71-C259 HydrophobicContact CB-CB 4.43Å; L73-C259 HydrophobicContact CD1-CB 3.92Å; L73-C259 HydrophobicContact CG-CB 3.72Å; K208-C259 CarbonylContact C-O 3.59Å; K208-C259 VanDerWaalsContact CA-O 3.25Å; K208-C259 WeakPolarHBondContact CA-O 3.39Å; L209-C259 PolarHBondContact N-O 3.47Å; L209-C259 PolarHBondContact O-N 2.95Å
260V95.7Very high95.2Very high69 Ų6936.5 Ų36.542%0.41820%0.2SC..EExtended strand (participates in β ladder)trans-71.2133.9174.7177.80000109K208 P262K208-V260 HydrophobicContact CG-CG2 4.13Å; V260-P262 WeakPolarHBondContact O-CD 3.43Å
261V95.3Very high95.3Very high0 Ų035.1 Ų35.10%019%0.194CC..  trans-102.2102.3172.4178.70000107.3F71 L87 S207 L209 W263 L264 S265F71-V261 HydrophobicContact CD1-CG2 4.27Å; F71-V261 HydrophobicContact CE1-CB 4.22Å; F71-V261 HydrophobicContact CE1-CG1 4.21Å; F71-V261 HydrophobicContact CE1-CG2 4.01Å; F71-V261 HydrophobicContact CZ-CB 4.33Å; F71-V261 HydrophobicContact CZ-CG1 3.85Å; F71-V261 HydrophobicContact CZ-CG2 4.15Å; L87-V261 HydrophobicContact CD2-CG1 4.3Å; L87-V261 HydrophobicContact CD2-CG2 4.3Å; S207-V261 PolarHBondContact O-N 2.84Å; L209-V261 HydrophobicContact CB-CG2 3.71Å; V261-W263 VanDerWaalsContact C-N 3.33Å; V261-W263 VanDerWaalsContact CG1-CD1 3.48Å; V261-W263 HydrophobicContact CG1-CD2 3.95Å; V261-W263 HydrophobicContact CG1-CG 4Å; V261-W263 HydrophobicContact CG1-CZ2 3.97Å; V261-W263 PolarHBondContact O-N 2.87Å; V261-L264 HydrophobicContact CB-CB 4.12Å; V261-L264 HydrophobicContact CB-CD1 3.87Å; V261-L264 HydrophobicContact CB-CG 4.16Å; V261-L264 HydrophobicContact CG1-CB 4.06Å; V261-L264 HydrophobicContact CG1-CD1 3.83Å; V261-L264 HydrophobicContact CG1-CG 3.78Å; V261-L264 HydrophobicContact CG2-CD1 4.29Å; V261-L264 WeakPolarHBondContact O-CB 3.35Å; V261-L264 PolarHBondContact O-N 2.98Å; V261-S265 PolarHBondContact O-N 3.49Å
262P93.8Very high95.4Very high55 Ų5539 Ų3936%0.35722%0.218SC..Hα-helixtrans-56.4-44.3-169.1-28.536.1000113.4V260 L264 S265 D266V260-P262 WeakPolarHBondContact O-CD 3.43Å; P262-L264 VanDerWaalsContact C-N 3.27Å; P262-L264 PolarHBondContact O-N 3.45Å; P262-S265 WeakPolarHBondContact O-CA 3.32Å; P262-S265 WeakPolarHBondContact O-CB 3.11Å; P262-S265 PolarHBondContact O-N 2.98Å; P262-D266 PolarHBondContact O-N 3.06Å
263W93Very high95.5Very high8 Ų840.7 Ų40.73%0.0322%0.223CC..Hα-helixtrans-66.6-26.2-178.866-99.2000113.4R54 F55 K67 L87 I123 V261 T267R54-W263 HydrophobicContact CB-CE3 4.37Å; F55-W263 AromaticContact CD1-CZ3 3.99Å; F55-W263 HydrophobicContact CD1-CZ3 3.99Å; F55-W263 HydrophobicContact CE1-CZ3 4.21Å; K67-W263 HydrophobicContact CD-CG 4.45Å; K67-W263 HydrophobicContact CG-CG 4.45Å; L87-W263 HydrophobicContact CD2-CZ2 3.86Å; L87-W263 HydrophobicContact CG-CZ2 4.31Å; I123-W263 HydrophobicContact CD1-CH2 4.08Å; I123-W263 HydrophobicContact CD1-CZ2 4.46Å; I123-W263 HydrophobicContact CG2-CH2 3.95Å; V261-W263 VanDerWaalsContact C-N 3.33Å; V261-W263 VanDerWaalsContact CG1-CD1 3.48Å; V261-W263 HydrophobicContact CG1-CD2 3.95Å; V261-W263 HydrophobicContact CG1-CG 4Å; V261-W263 HydrophobicContact CG1-CZ2 3.97Å; V261-W263 PolarHBondContact O-N 2.87Å; W263-T267 WeakPolarHBondContact O-CB 3.49Å; W263-T267 PolarHBondContact O-N 2.88Å; W263-T267 VanDerWaalsContact O-N 3.09Å; W263-T267 PolarHBondContact O-OG1 2.93Å
264L94.9Very high95.7Very high0 Ų037.3 Ų37.30%021%0.207CC..Hα-helixtrans-72.2-36.3170.8-77.3177.1000110.9I123 L170 I204 V261 P262 T267 L268I123-L264 HydrophobicContact CD1-CD1 4.49Å; L170-L264 HydrophobicContact CD1-CD2 4.1Å; L170-L264 HydrophobicContact CD2-CD2 4.1Å; I204-L264 HydrophobicContact CD1-CD1 3.87Å; I204-L264 HydrophobicContact CG1-CD1 4.25Å; I204-L264 HydrophobicContact CG2-CD1 3.93Å; V261-L264 HydrophobicContact CB-CB 4.12Å; V261-L264 HydrophobicContact CB-CD1 3.87Å; V261-L264 HydrophobicContact CB-CG 4.16Å; V261-L264 HydrophobicContact CG1-CB 4.06Å; V261-L264 HydrophobicContact CG1-CD1 3.83Å; V261-L264 HydrophobicContact CG1-CG 3.78Å; V261-L264 HydrophobicContact CG2-CD1 4.29Å; V261-L264 WeakPolarHBondContact O-CB 3.35Å; V261-L264 PolarHBondContact O-N 2.98Å; P262-L264 VanDerWaalsContact C-N 3.27Å; P262-L264 PolarHBondContact O-N 3.45Å; L264-T267 PolarHBondContact O-N 3.1Å; L264-L268 WeakPolarHBondContact O-CG 3.5Å; L264-L268 PolarHBondContact O-N 3.31Å
265S94.6Very high95.8Very high44 Ų4436.5 Ų36.531%0.30820%0.201SC..Hα-helixtrans-59.8-50.9172.9-163.90000110.9V261 P262 T267 L268 V269V261-S265 PolarHBondContact O-N 3.49Å; P262-S265 WeakPolarHBondContact O-CA 3.32Å; P262-S265 WeakPolarHBondContact O-CB 3.11Å; P262-S265 PolarHBondContact O-N 2.98Å; S265-T267 VanDerWaalsContact C-N 3.27Å; S265-T267 PolarHBondContact O-N 3.07Å; S265-L268 PolarHBondContact O-N 3.08Å; S265-L268 VanDerWaalsContact O-N 3.15Å; S265-V269 WeakPolarHBondContact O-CG2 3.08Å; S265-V269 PolarHBondContact O-N 2.8Å
266D93.3Very high95.9Very high71 Ų7140.5 Ų40.538%0.3822%0.22SC..Hα-helixtrans-58.3-42178.1-59.7-22.1000111.5P262 L268 V269 F270P262-D266 PolarHBondContact O-N 3.06Å; D266-L268 PolarHBondContact O-N 3.04Å; D266-V269 WeakPolarHBondContact O-CB 3.23Å; D266-V269 PolarHBondContact O-N 2.82Å; D266-V269 VanDerWaalsContact O-N 3.14Å; D266-F270 HydrophobicContact CB-CE2 4.29Å; D266-F270 VanDerWaalsContact O-CD2 3.28Å; D266-F270 WeakPolarHBondContact O-CD2 3.5Å; D266-F270 WeakPolarHBondContact O-CG 3.41Å; D266-F270 PolarHBondContact O-N 3.05Å
267T94.6Very high96Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-60.1-43.5177.3-60.50000112.3F55 W263 L264 S265 V269 F270 F271F55-T267 HydrophobicContact CD2-CG2 4.49Å; F55-T267 HydrophobicContact CE2-CG2 3.46Å; F55-T267 VanDerWaalsContact CE2-CG2 3.46Å; F55-T267 HydrophobicContact CZ-CG2 3.56Å; W263-T267 WeakPolarHBondContact O-CB 3.49Å; W263-T267 PolarHBondContact O-N 2.88Å; W263-T267 VanDerWaalsContact O-N 3.09Å; W263-T267 PolarHBondContact O-OG1 2.93Å; L264-T267 PolarHBondContact O-N 3.1Å; S265-T267 VanDerWaalsContact C-N 3.27Å; S265-T267 PolarHBondContact O-N 3.07Å; T267-V269 VanDerWaalsContact C-N 3.3Å; T267-V269 PolarHBondContact O-N 3.04Å; T267-F270 PolarHBondContact O-N 2.84Å; T267-F271 HydrophobicContact CG2-CD1 4.44Å; T267-F271 HydrophobicContact CG2-CE1 3.73Å; T267-F271 HydrophobicContact CG2-CE2 3.83Å; T267-F271 HydrophobicContact CG2-CZ 3.39Å; T267-F271 WeakPolarHBondContact O-CD1 3.41Å; T267-F271 WeakPolarHBondContact O-CG 3.36Å; T267-F271 PolarHBondContact O-N 2.88Å
268L96.3Very high96.1Very high18 Ų1837.3 Ų37.39%0.09421%0.206CC..Hα-helixtrans-66.2-33.4176.5-71166.5000112.2R167 L170 T171 L206 L264 S265 D266 F271 T272R167-L268 HydrophobicContact CG-CD2 4.02Å; L170-L268 HydrophobicContact CB-CD2 4.28Å; L170-L268 HydrophobicContact CD1-CD2 4.14Å; L170-L268 HydrophobicContact CD1-CG 4.48Å; T171-L268 HydrophobicContact CG2-CD2 4.38Å; L206-L268 HydrophobicContact CD1-CD1 3.66Å; L206-L268 HydrophobicContact CG-CD1 3.89Å; L264-L268 WeakPolarHBondContact O-CG 3.5Å; L264-L268 PolarHBondContact O-N 3.31Å; S265-L268 PolarHBondContact O-N 3.08Å; S265-L268 VanDerWaalsContact O-N 3.15Å; D266-L268 PolarHBondContact O-N 3.04Å; L268-F271 HydrophobicContact CD2-CD2 4.26Å; L268-F271 PolarHBondContact O-N 2.81Å; L268-T272 PolarHBondContact O-N 3.07Å; L268-T272 PolarHBondContact O-OG1 3.24Å
269V96.7Very high96.1Very high74 Ų7436.9 Ų36.945%0.44820%0.204SC..Hα-helixtrans-63.9-47.7171.5177.10000110.2S265 D266 T267 F271 T272 I273S265-V269 WeakPolarHBondContact O-CG2 3.08Å; S265-V269 PolarHBondContact O-N 2.8Å; D266-V269 WeakPolarHBondContact O-CB 3.23Å; D266-V269 PolarHBondContact O-N 2.82Å; D266-V269 VanDerWaalsContact O-N 3.14Å; T267-V269 VanDerWaalsContact C-N 3.3Å; T267-V269 PolarHBondContact O-N 3.04Å; V269-F271 VanDerWaalsContact C-N 3.31Å; V269-F271 PolarHBondContact O-N 3.22Å; V269-T272 WeakPolarHBondContact O-CB 3.26Å; V269-T272 PolarHBondContact O-N 3.27Å; V269-I273 HydrophobicContact CG1-CD1 3.73Å; V269-I273 HydrophobicContact CG1-CG1 4.28Å; V269-I273 WeakPolarHBondContact O-CG1 3.5Å; V269-I273 PolarHBondContact O-N 3.21Å
270F97.1Very high96.1Very high43 Ų4339.9 Ų39.919%0.18922%0.216CC..Hα-helixtrans-57.1-43.4175.4-63.5-42.4000112.2I47 E50 A51 R54 D266 T267 T272 I273 S274I47-F270 HydrophobicContact CG2-CB 3.83Å; I47-F270 HydrophobicContact CG2-CD1 3.95Å; I47-F270 HydrophobicContact CG2-CG 4.16Å; E50-F270 HydrophobicContact CG-CE2 3.93Å; E50-F270 HydrophobicContact CG-CZ 3.76Å; A51-F270 HydrophobicContact CB-CB 3.94Å; A51-F270 HydrophobicContact CB-CD2 3.83Å; A51-F270 HydrophobicContact CB-CG 4.24Å; R54-F270 HydrophobicContact CG-CE2 4.18Å; D266-F270 HydrophobicContact CB-CE2 4.29Å; D266-F270 VanDerWaalsContact O-CD2 3.28Å; D266-F270 WeakPolarHBondContact O-CD2 3.5Å; D266-F270 WeakPolarHBondContact O-CG 3.41Å; D266-F270 PolarHBondContact O-N 3.05Å; T267-F270 PolarHBondContact O-N 2.84Å; F270-T272 VanDerWaalsContact C-N 3.29Å; F270-T272 PolarHBondContact O-N 3.13Å; F270-I273 PolarHBondContact O-N 3.31Å; F270-S274 WeakPolarHBondContact O-CB 3.47Å; F270-S274 PolarHBondContact O-N 2.78Å; F270-S274 PolarHBondContact O-OG 3.37Å; F270-S274 VanDerWaalsContact O-OG 3.07Å
271F97.8Very high96Very high0 Ų036.7 Ų36.70%020%0.196CC..Hα-helixtrans-60-41175.7-63.7-12.4000112.2A51 F55 V130 L163 A166 R167 L170 T267 L268 V269 L275A51-F271 HydrophobicContact CB-CE1 4.29Å; F55-F271 HydrophobicContact CE2-CZ 4.09Å; F55-F271 HydrophobicContact CZ-CZ 4.12Å; V130-F271 HydrophobicContact CG2-CD1 4.5Å; V130-F271 HydrophobicContact CG2-CE1 3.32Å; V130-F271 HydrophobicContact CG2-CZ 3.42Å; V130-F271 VanDerWaalsContact CG2-CZ 3.42Å; L163-F271 HydrophobicContact CD2-CD1 4.34Å; A166-F271 HydrophobicContact CB-CD2 4.42Å; A166-F271 HydrophobicContact CB-CE2 3.77Å; A166-F271 HydrophobicContact CB-CZ 3.83Å; R167-F271 HydrophobicContact CB-CD2 4.01Å; L170-F271 HydrophobicContact CD1-CE2 3.98Å; T267-F271 HydrophobicContact CG2-CD1 4.44Å; T267-F271 HydrophobicContact CG2-CE1 3.73Å; T267-F271 HydrophobicContact CG2-CE2 3.83Å; T267-F271 HydrophobicContact CG2-CZ 3.39Å; T267-F271 WeakPolarHBondContact O-CD1 3.41Å; T267-F271 WeakPolarHBondContact O-CG 3.36Å; T267-F271 PolarHBondContact O-N 2.88Å; L268-F271 HydrophobicContact CD2-CD2 4.26Å; L268-F271 PolarHBondContact O-N 2.81Å; V269-F271 VanDerWaalsContact C-N 3.31Å; V269-F271 PolarHBondContact O-N 3.22Å; F271-L275 WeakPolarHBondContact O-CB 3.32Å; F271-L275 WeakPolarHBondContact O-CD1 3.41Å; F271-L275 WeakPolarHBondContact O-CG 3.49Å; F271-L275 PolarHBondContact O-N 2.94Å
272T97.3Very high96Very high82 Ų8238.5 Ų38.550%0.50320%0.204SC..Hα-helixtrans-65.4-46.8179-56.70000111.3L268 V269 F270 L275 Q276L268-T272 PolarHBondContact O-N 3.07Å; L268-T272 PolarHBondContact O-OG1 3.24Å; V269-T272 WeakPolarHBondContact O-CB 3.26Å; V269-T272 PolarHBondContact O-N 3.27Å; F270-T272 VanDerWaalsContact C-N 3.29Å; F270-T272 PolarHBondContact O-N 3.13Å; T272-L275 PolarHBondContact O-N 3.5Å; T272-Q276 WeakPolarHBondContact O-CB 3.2Å; T272-Q276 PolarHBondContact O-N 3.11Å
273I97.6Very high95.9Very high76 Ų7639.7 Ų39.739%0.3921%0.207SC..Hα-helixtrans-62.1-46.8177.8-64.3169.3000110.3I47 V269 F270 L275 Q276 L277I47-I273 HydrophobicContact CD1-CG2 3.91Å; V269-I273 HydrophobicContact CG1-CD1 3.73Å; V269-I273 HydrophobicContact CG1-CG1 4.28Å; V269-I273 WeakPolarHBondContact O-CG1 3.5Å; V269-I273 PolarHBondContact O-N 3.21Å; F270-I273 PolarHBondContact O-N 3.31Å; I273-L275 PolarHBondContact O-N 3.28Å; I273-Q276 WeakPolarHBondContact O-CB 3.46Å; I273-Q276 PolarHBondContact O-N 3.14Å; I273-L277 HydrophobicContact CG2-CD1 4.17Å; I273-L277 HydrophobicContact CG2-CG 4.48Å; I273-L277 WeakPolarHBondContact O-CG 3.22Å; I273-L277 PolarHBondContact O-N 3.37Å
274S98Very high95.7Very high0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-62.9-40.9179.1-63.10000112.7L44 I47 L48 F270 Q276 L277 C278L44-S274 WeakPolarHBondContact CD2-O 3.32Å; I47-S274 VanDerWaalsContact CG2-OG 3.3Å; I47-S274 WeakPolarHBondContact CG2-OG 3.26Å; L48-S274 WeakPolarHBondContact CD2-OG 3.46Å; F270-S274 WeakPolarHBondContact O-CB 3.47Å; F270-S274 PolarHBondContact O-N 2.78Å; F270-S274 PolarHBondContact O-OG 3.37Å; F270-S274 VanDerWaalsContact O-OG 3.07Å; S274-Q276 VanDerWaalsContact C-N 3.32Å; S274-Q276 PolarHBondContact O-N 3.01Å; S274-L277 PolarHBondContact O-N 2.74Å; S274-C278 PolarHBondContact O-N 3.35Å; S274-C278 PolarHBondContact O-SG 2.98Å
275L98.2Very high95.4Very high18 Ų1843.8 Ų43.89%0.09423%0.225CC..Hα-helixtrans-61.8-41.3174.5-76.5168.1000111.6M160 L163 F271 T272 I273 C278 Q279M160-L275 HydrophobicContact CB-CD2 3.97Å; M160-L275 HydrophobicContact CE-CD2 4.41Å; M160-L275 HydrophobicContact CG-CD2 4.06Å; L163-L275 HydrophobicContact CB-CD2 3.82Å; L163-L275 HydrophobicContact CB-CG 4.02Å; L163-L275 HydrophobicContact CD1-CD2 4.3Å; L163-L275 HydrophobicContact CD1-CG 4.3Å; F271-L275 WeakPolarHBondContact O-CB 3.32Å; F271-L275 WeakPolarHBondContact O-CD1 3.41Å; F271-L275 WeakPolarHBondContact O-CG 3.49Å; F271-L275 PolarHBondContact O-N 2.94Å; T272-L275 PolarHBondContact O-N 3.5Å; I273-L275 PolarHBondContact O-N 3.28Å; L275-C278 PolarHBondContact O-N 2.76Å; L275-Q279 PolarHBondContact O-N 3.22Å
276Q97.8Very high95Very high105 Ų10544.2 Ų44.249%0.49123%0.229SC..Hα-helixtrans-64.7-44.1177.7-176.161.220.300111.9T272 I273 S274 C278 Q279 Q280T272-Q276 WeakPolarHBondContact O-CB 3.2Å; T272-Q276 PolarHBondContact O-N 3.11Å; I273-Q276 WeakPolarHBondContact O-CB 3.46Å; I273-Q276 PolarHBondContact O-N 3.14Å; S274-Q276 VanDerWaalsContact C-N 3.32Å; S274-Q276 PolarHBondContact O-N 3.01Å; Q276-C278 PolarHBondContact O-N 3Å; Q276-Q279 PolarHBondContact O-N 3.18Å; Q276-Q280 HydrophobicContact CG-CG 4.48Å; Q276-Q280 WeakPolarHBondContact O-CB 3.45Å; Q276-Q280 VanDerWaalsContact O-CG 3.31Å; Q276-Q280 WeakPolarHBondContact O-CG 3.36Å; Q276-Q280 PolarHBondContact O-N 2.77Å
277L97.1Very high94.5Very high20 Ų2044.4 Ų44.411%0.10523%0.232CC..Hα-helixtrans-61.3-43.3175.9-72.2173000111.8V40 Q43 L44 I47 I273 S274 Q279 Q280 L281V40-L277 HydrophobicContact CG1-CB 4.46Å; Q43-L277 HydrophobicContact CG-CD1 4.06Å; L44-L277 HydrophobicContact CD2-CB 3.92Å; L44-L277 HydrophobicContact CD2-CD1 4.12Å; L44-L277 HydrophobicContact CG-CB 4.46Å; I47-L277 HydrophobicContact CD1-CD1 3.55Å; I273-L277 HydrophobicContact CG2-CD1 4.17Å; I273-L277 HydrophobicContact CG2-CG 4.48Å; I273-L277 WeakPolarHBondContact O-CG 3.22Å; I273-L277 PolarHBondContact O-N 3.37Å; S274-L277 PolarHBondContact O-N 2.74Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 2.9Å; L277-Q280 PolarHBondContact O-N 2.75Å; L277-L281 PolarHBondContact O-N 3.03Å
278C97.1Very high93.6Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-59.9-45.8175.4-65.10000111.3M156 M160 S274 L275 Q276 L281 K282M156-C278 HydrophobicContact SD-CB 4Å; M160-C278 HydrophobicContact CG-CB 3.31Å; M160-C278 HydrophobicContact SD-CB 3.59Å; M160-C278 VanDerWaalsContact SD-CB 3.59Å; S274-C278 PolarHBondContact O-N 3.35Å; S274-C278 PolarHBondContact O-SG 2.98Å; L275-C278 PolarHBondContact O-N 2.76Å; Q276-C278 PolarHBondContact O-N 3Å; C278-L281 PolarHBondContact O-N 3.27Å; C278-K282 WeakPolarHBondContact O-CG 3.44Å; C278-K282 PolarHBondContact O-N 3.37Å
279Q97.3Very high92.4Very high65 Ų6547.4 Ų47.430%0.30425%0.249SC..Hα-helixtrans-65.8-43.9-179.8-172.460.453.700111.8M160 L275 Q276 L277 L281 K282 D283M160-Q279 HydrophobicContact CE-CB 4.25Å; L275-Q279 PolarHBondContact O-N 3.22Å; Q276-Q279 PolarHBondContact O-N 3.18Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 2.9Å; Q279-L281 VanDerWaalsContact C-N 3.3Å; Q279-L281 PolarHBondContact O-N 2.75Å; Q279-K282 WeakPolarHBondContact O-CB 3.49Å; Q279-K282 PolarHBondContact O-N 2.91Å; Q279-K282 VanDerWaalsContact O-N 3.17Å; Q279-D283 PolarHBondContact NE2-OD1 2.77Å; Q279-D283 PolarHBondContact O-N 2.79Å
280Q95.5Very high91.1Very high90 Ų9046.8 Ų46.842%0.42125%0.248SC..Hα-helixtrans-58.3-42.4176.3-76174-11.900112Q276 L277 D283 K284Q276-Q280 HydrophobicContact CG-CG 4.48Å; Q276-Q280 WeakPolarHBondContact O-CB 3.45Å; Q276-Q280 VanDerWaalsContact O-CG 3.31Å; Q276-Q280 WeakPolarHBondContact O-CG 3.36Å; Q276-Q280 PolarHBondContact O-N 2.77Å; L277-Q280 PolarHBondContact O-N 2.75Å; Q280-D283 PolarHBondContact O-N 2.99Å; Q280-K284 WeakPolarHBondContact O-CG 3.23Å; Q280-K284 PolarHBondContact O-N 2.87Å; Q280-K284 VanDerWaalsContact O-N 3.08Å
281L93.6Very high89.5Confident2 Ų250.6 Ų50.61%0.0126%0.264CS..Hα-helixtrans-64.2-44.7176.5-17759.6000111.5V37 V40 V152 M156 L277 C278 Q279 D283 K284 I285V37-L281 HydrophobicContact CG1-CD2 4.42Å; V37-L281 HydrophobicContact CG2-CD1 4.09Å; V40-L281 HydrophobicContact CB-CD2 4.13Å; V40-L281 HydrophobicContact CG1-CB 4.31Å; V40-L281 HydrophobicContact CG1-CD2 3.96Å; V40-L281 HydrophobicContact CG2-CD1 4.48Å; V152-L281 HydrophobicContact CG1-CD2 4Å; V152-L281 HydrophobicContact CG1-CG 4.44Å; M156-L281 HydrophobicContact CG-CD2 4.13Å; M156-L281 HydrophobicContact SD-CD2 3.87Å; L277-L281 PolarHBondContact O-N 3.03Å; C278-L281 PolarHBondContact O-N 3.27Å; Q279-L281 VanDerWaalsContact C-N 3.3Å; Q279-L281 PolarHBondContact O-N 2.75Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 3.47Å; L281-K284 PolarHBondContact O-N 3.27Å; L281-I285 HydrophobicContact CD1-CD1 4.13Å; L281-I285 HydrophobicContact CG-CD1 3.84Å; L281-I285 WeakPolarHBondContact O-CD1 3.36Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.45Å; L281-I285 PolarHBondContact O-N 3.33Å
282K94.3Very high87.7Confident37 Ų3754.6 Ų54.616%0.16128%0.28CS..Hα-helixtrans-60.9-40176.1-72.2-179.665.6-1720112.8N153 M156 D157 M160 C278 Q279 I285 S286N153-K282 WeakPolarHBondContact OD1-CG 3.48Å; M156-K282 HydrophobicContact CB-CD 3.8Å; M156-K282 HydrophobicContact CB-CG 3.63Å; M156-K282 HydrophobicContact CG-CG 4.09Å; D157-K282 WeakPolarHBondContact OD1-CE 3.25Å; D157-K282 IonicContact OD1-NZ 3.72Å; D157-K282 PolarHBondContact OD1-NZ 3.12Å; M160-K282 HydrophobicContact SD-CD 3.78Å; C278-K282 WeakPolarHBondContact O-CG 3.44Å; C278-K282 PolarHBondContact O-N 3.37Å; Q279-K282 WeakPolarHBondContact O-CB 3.49Å; Q279-K282 PolarHBondContact O-N 2.91Å; Q279-K282 VanDerWaalsContact O-N 3.17Å; K282-I285 PolarHBondContact O-N 2.78Å; K282-S286 VanDerWaalsContact O-CB 3.32Å; K282-S286 WeakPolarHBondContact O-CB 3.37Å; K282-S286 PolarHBondContact O-N 2.89Å; K282-S286 PolarHBondContact O-OG 2.78Å
283D92.6Very high85.6Confident80 Ų8057.2 Ų57.243%0.42829%0.291SS..Hα-helixtrans-64.1-46.3178.8-67.1-19.8000110Q279 Q280 L281 I285 S286 V287Q279-D283 PolarHBondContact NE2-OD1 2.77Å; Q279-D283 PolarHBondContact O-N 2.79Å; Q280-D283 PolarHBondContact O-N 2.99Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 3.47Å; D283-I285 PolarHBondContact O-N 3.14Å; D283-S286 PolarHBondContact O-N 2.97Å; D283-V287 WeakPolarHBondContact O-CG2 3.41Å; D283-V287 PolarHBondContact O-N 3.22Å
284K89.3Confident83.1Confident94 Ų9463.3 Ų63.341%0.40931%0.31SS..Hα-helixtrans-57.1-50.9174.8-72.3-178.4178.2-166.80111.6E36 Q280 L281 S286 V287 F288E36-K284 VanDerWaalsContact CD-NZ 3.28Å; E36-K284 WeakPolarHBondContact OE1-CD 3.37Å; E36-K284 VanDerWaalsContact OE1-CE 3.3Å; E36-K284 WeakPolarHBondContact OE1-CE 3.31Å; E36-K284 IonicContact OE1-NZ 3.63Å; E36-K284 PolarHBondContact OE1-NZ 3.25Å; E36-K284 IonicContact OE2-NZ 3.16Å; E36-K284 PolarHBondContact OE2-NZ 2.85Å; Q280-K284 WeakPolarHBondContact O-CG 3.23Å; Q280-K284 PolarHBondContact O-N 2.87Å; Q280-K284 VanDerWaalsContact O-N 3.08Å; L281-K284 PolarHBondContact O-N 3.27Å; K284-S286 VanDerWaalsContact C-N 3.26Å; K284-S286 PolarHBondContact O-N 3.31Å; K284-V287 PolarHBondContact O-N 3.4Å; K284-F288 VanDerWaalsContact O-CD2 3.25Å; K284-F288 WeakPolarHBondContact O-CD2 3.25Å; K284-F288 PolarHBondContact O-N 2.82Å
285I87.8Confident80.4Confident0 Ų069.3 Ų69.30%033%0.333CS..Hα-helixtrans-59.3-39.4178.4-68159.4000111.7L32 V152 L281 K282 D283 F288 S289L32-I285 HydrophobicContact CD2-CG1 4.45Å; V152-I285 HydrophobicContact CB-CD1 3.64Å; V152-I285 HydrophobicContact CG1-CD1 3.31Å; V152-I285 HydrophobicContact CG2-CD1 4.49Å; L281-I285 HydrophobicContact CD1-CD1 4.13Å; L281-I285 HydrophobicContact CG-CD1 3.84Å; L281-I285 WeakPolarHBondContact O-CD1 3.36Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.45Å; L281-I285 PolarHBondContact O-N 3.33Å; K282-I285 PolarHBondContact O-N 2.78Å; D283-I285 PolarHBondContact O-N 3.14Å; I285-F288 PolarHBondContact O-N 3.48Å; I285-S289 WeakPolarHBondContact O-CB 3.46Å; I285-S289 PolarHBondContact O-N 2.86Å; I285-S289 PolarHBondContact O-OG 3.41Å
286S86.7Confident77.6Confident54 Ų5473.8 Ų73.838%0.37836%0.363SS..Hα-helixtrans-68.1-40.4-179.1-61.50000111.9K282 D283 K284 S289 S290K282-S286 VanDerWaalsContact O-CB 3.32Å; K282-S286 WeakPolarHBondContact O-CB 3.37Å; K282-S286 PolarHBondContact O-N 2.89Å; K282-S286 PolarHBondContact O-OG 2.78Å; D283-S286 PolarHBondContact O-N 2.97Å; K284-S286 VanDerWaalsContact C-N 3.26Å; K284-S286 PolarHBondContact O-N 3.31Å; S286-S289 PolarHBondContact O-N 3.4Å; S286-S290 WeakPolarHBondContact O-CB 3.49Å; S286-S290 PolarHBondContact O-N 2.81Å; S286-S290 PolarHBondContact O-OG 3.42Å
287V83.1Confident74.9Confident75 Ų7578.8 Ų78.846%0.45538%0.383SS..Hα-helixtrans-54.8-55.4173.4171.60000109.7D283 K284 S289 S290 F291D283-V287 WeakPolarHBondContact O-CG2 3.41Å; D283-V287 PolarHBondContact O-N 3.22Å; K284-V287 PolarHBondContact O-N 3.4Å; V287-S289 PolarHBondContact O-N 3.43Å; V287-S290 PolarHBondContact O-N 2.86Å; V287-S290 PolarHBondContact O-OG 3.06Å; V287-F291 HydrophobicContact CG1-CD2 3.99Å; V287-F291 HydrophobicContact CG1-CE2 3.72Å; V287-F291 VanDerWaalsContact O-CD2 3.23Å; V287-F291 WeakPolarHBondContact O-CD2 3.4Å; V287-F291 PolarHBondContact O-N 3.01Å; V287-F291 VanDerWaalsContact O-N 3.17Å
288F74.4Confident73.8Confident47 Ų4781.7 Ų81.721%0.20640%0.397CS..Hα-helixtrans-62.6-40.3178.9-74.2-81000113.4E28 F29 L32 K284 I285 S290 F291 W292E28-F288 HydrophobicContact CB-CE1 4.42Å; F29-F288 HydrophobicContact CB-CD1 4.3Å; F29-F288 HydrophobicContact CD2-CB 3.34Å; F29-F288 HydrophobicContact CD2-CD1 4.17Å; F29-F288 HydrophobicContact CD2-CD2 4.39Å; F29-F288 AromaticContact CD2-CG 3.74Å; F29-F288 HydrophobicContact CD2-CG 3.74Å; F29-F288 HydrophobicContact CE2-CB 3.64Å; F29-F288 HydrophobicContact CE2-CG 4.42Å; F29-F288 HydrophobicContact CG-CB 4.36Å; L32-F288 HydrophobicContact CD2-CD2 3.58Å; L32-F288 HydrophobicContact CD2-CE2 3.87Å; L32-F288 HydrophobicContact CD2-CG 4.37Å; K284-F288 VanDerWaalsContact O-CD2 3.25Å; K284-F288 WeakPolarHBondContact O-CD2 3.25Å; K284-F288 PolarHBondContact O-N 2.82Å; I285-F288 PolarHBondContact O-N 3.48Å; F288-S290 VanDerWaalsContact C-N 3.3Å; F288-S290 PolarHBondContact O-N 2.69Å; F288-F291 PolarHBondContact O-N 3.44Å; F288-W292 PolarHBondContact O-N 3.13Å
289S71.9Confident72.5Confident34 Ų3486 Ų8624%0.23842%0.418CS..Hα-helixtrans-64.2-35.5178.1-58.20000112.2I285 S286 V287 W292 N293I285-S289 WeakPolarHBondContact O-CB 3.46Å; I285-S289 PolarHBondContact O-N 2.86Å; I285-S289 PolarHBondContact O-OG 3.41Å; S286-S289 PolarHBondContact O-N 3.4Å; V287-S289 PolarHBondContact O-N 3.43Å; S289-W292 PolarHBondContact O-N 2.85Å; S289-N293 PolarHBondContact O-N 3.19Å; S289-N293 VanDerWaalsContact O-N 3.16Å; S289-N293 PolarHBondContact O-ND2 3.42Å
290S69.7Low71.2Confident60 Ų6087.2 Ų87.242%0.4242%0.424SS..Hα-helixtrans-68.8-38.6176.470.90000112.4S286 V287 F288 W292 N293 Y294S286-S290 WeakPolarHBondContact O-CB 3.49Å; S286-S290 PolarHBondContact O-N 2.81Å; S286-S290 PolarHBondContact O-OG 3.42Å; V287-S290 PolarHBondContact O-N 2.86Å; V287-S290 PolarHBondContact O-OG 3.06Å; F288-S290 VanDerWaalsContact C-N 3.3Å; F288-S290 PolarHBondContact O-N 2.69Å; S290-W292 PolarHBondContact O-N 3.02Å; S290-N293 PolarHBondContact O-N 2.85Å; S290-N293 VanDerWaalsContact O-N 3.15Å; S290-Y294 VanDerWaalsContact O-CB 3.31Å; S290-Y294 WeakPolarHBondContact O-CB 3.43Å; S290-Y294 PolarHBondContact O-N 3.09Å
291F62.8Low69.7Low123 Ų12387 Ų8754%0.53942%0.424SS..Hα-helixtrans-58.7-34.9173.9-85.6-76.2000112.4V287 F288V287-F291 HydrophobicContact CG1-CD2 3.99Å; V287-F291 HydrophobicContact CG1-CE2 3.72Å; V287-F291 VanDerWaalsContact O-CD2 3.23Å; V287-F291 WeakPolarHBondContact O-CD2 3.4Å; V287-F291 PolarHBondContact O-N 3.01Å; V287-F291 VanDerWaalsContact O-N 3.17Å; F288-F291 PolarHBondContact O-N 3.44Å
292W59.9Low68.2Low85 Ų8592.3 Ų92.332%0.32245%0.45SS..Hα-helixtrans-74.4-35.7175.8-101.1-110.6000113.7L25 E26 F288 S289 S290L25-W292 VanDerWaalsContact C-CH2 3.44Å; L25-W292 HydrophobicContact CB-CH2 3.56Å; L25-W292 HydrophobicContact CB-CZ3 3.85Å; L25-W292 WeakPolarHBondContact O-CH2 3.45Å; E26-W292 HydrophobicContact CB-CH2 4.18Å; E26-W292 HydrophobicContact CB-CZ2 3.77Å; E26-W292 HydrophobicContact CG-CZ2 4.08Å; F288-W292 PolarHBondContact O-N 3.13Å; S289-W292 PolarHBondContact O-N 2.85Å; S290-W292 PolarHBondContact O-N 3.02Å
293N53.8Low66.5Low137 Ų13796 Ų9673%0.73347%0.47SS*.Hα-helixtrans-82.7-23.4-179.2-71.6-33.2000113.4S289 S290S289-N293 PolarHBondContact O-N 3.19Å; S289-N293 VanDerWaalsContact O-N 3.16Å; S289-N293 PolarHBondContact O-ND2 3.42Å; S290-N293 PolarHBondContact O-N 2.85Å; S290-N293 VanDerWaalsContact O-N 3.15Å
294Y43.5Very low64.6Low204 Ų20497.1 Ų97.180%0.847%0.473SS*.SBendtrans-85.8-6.1-174.6-140.1-91.9000114.7S290 P296S290-Y294 VanDerWaalsContact O-CB 3.31Å; S290-Y294 WeakPolarHBondContact O-CB 3.43Å; S290-Y294 PolarHBondContact O-N 3.09Å; Y294-P296 WeakPolarHBondContact O-CD 3.36Å
295R43Very low62.7Low126 Ų12697.4 Ų97.448%0.47548%0.477SS..  trans-106.378.7167.7-69.8-164.3-174.6176.87.3109.7S18 E21 F297S18-R295 PolarHBondContact OG-NH1 3.44Å; E21-R295 IonicContact OE2-CZ 3.73Å; E21-R295 IonicContact OE2-NH1 2.76Å; E21-R295 IonicContact OE2-NH2 2.94Å; E21-R295 PolarHBondContact OE2-NH2 3.24Å; E21-R295 VanDerWaalsContact OE2-NH2 3.09Å; R295-F297 PolarHBondContact O-N 3.33Å
296P38.7Very low60.7Low111 Ų111105.5 Ų105.572%0.72152%0.517SS*.  trans-63.4134.1162.930-30.8000107.6Y294Y294-P296 WeakPolarHBondContact O-CD 3.36Å
297F40.4Very low58.3Low210 Ų210110.2 Ų110.292%0.92153%0.53SS*.  trans-64.60175.7-62.4-90.3000111.8R22 R295R22-F297 VanDerWaalsContact NH1-CZ 3.33Å; R295-F297 PolarHBondContact O-N 3.33Å

Retrieved 297 of 297 residues in 169.3 ms (Link to these results)