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Kinesin-like protein Nod

Required for the distributive chromosome segregation of non-exchange chromosomes during meiosis. May be a microtubule motor required to hold distributively 'paired' chromosomes at the metaphase plate until anaphase.

AlphaFold DB , UniProt , Accession P18105, Species DROME (Drosophila melanogaster, Fruit fly), Gene nod, Length 666 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
1M30.7Very low64Low239 Ų23981.3 Ų81.3100%1.17747%0.465SS*.  0134.40-67.4-170.6-85.200108.5G3M1-G3 PolarHBondContact O-N 3.32Å
2E27.9Very low66.8Low200 Ų20074.5 Ų74.594%0.93543%0.426SS*.  trans-68116.6161.3-72.7-168.3106.400108A4E2-A4 PolarHBondContact O-N 3.2Å; E2-A4 VanDerWaalsContact O-N 3.11Å
3G34.5Very low69.2Low72 Ų7268.8 Ų68.874%0.74239%0.393SS*.  trans-66.2112.5-175.600000110.9M1 K5M1-G3 PolarHBondContact O-N 3.32Å; G3-K5 PolarHBondContact O-N 3.35Å
4A51.1Low71.2Confident96 Ų9665.1 Ų65.179%0.79337%0.37SS*.  trans-49.6114.9177.800000110.2E2 L6E2-A4 PolarHBondContact O-N 3.2Å; E2-A4 VanDerWaalsContact O-N 3.11Å; A4-L6 PolarHBondContact O-N 2.9Å
5K64.2Low73Confident155 Ų15561.7 Ų61.767%0.67435%0.35SS*.  trans-65.499.8-170.1178.9-169.4166.1-164.90110.2G3 S7 M325G3-K5 PolarHBondContact O-N 3.35Å; K5-S7 PolarHBondContact O-N 3.01Å; K5-M325 HydrophobicContact CD-CE 4.37Å
6L65.2Low74.4Confident47 Ų4758.5 Ų58.525%0.24633%0.333CS..  trans-43.8121.5175.8-77.2162.4000111.4A4 P70 K74 Y290A4-L6 PolarHBondContact O-N 2.9Å; L6-P70 HydrophobicContact CD1-CB 3.81Å; L6-P70 HydrophobicContact CD2-CB 3.8Å; L6-P70 HydrophobicContact CG-CB 4.42Å; L6-K74 HydrophobicContact CD1-CG 4.23Å; L6-Y290 HydrophobicContact CB-CE1 4.04Å
7S73.8Confident75.4Confident58 Ų5860.5 Ų60.541%0.40635%0.349SS..  trans-61.4140.6170-175.10000109.8K5 V9K5-S7 PolarHBondContact O-N 3.01Å; S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 WeakPolarHBondContact CB-O 3.37Å; S7-V9 PolarHBondContact OG-N 3.12Å; S7-V9 PolarHBondContact OG-O 3.25Å
8A81.4Confident76.3Confident5 Ų558.6 Ų58.64%0.04134%0.335CS..SBendtrans-78.5-17.6178.400000113L291 L322 P324A8-L291 PolarHBondContact O-N 3.19Å; A8-L322 HydrophobicContact CB-CB 3.59Å; A8-L322 WeakPolarHBondContact CB-O 3.44Å; A8-P324 HydrophobicContact CB-CG 3.74Å
9V88.4Confident76.7Confident6 Ų664 Ų644%0.03635%0.35CS..EExtended strand (participates in β ladder)trans-121.3121.9162.5-173.60000108S7 I11 V260 L291 F293 L320 L322S7-V9 VanDerWaalsContact C-N 3.3Å; S7-V9 WeakPolarHBondContact CB-O 3.37Å; S7-V9 PolarHBondContact OG-N 3.12Å; S7-V9 PolarHBondContact OG-O 3.25Å; V9-I11 HydrophobicContact CG1-CD1 4.29Å; V9-V260 HydrophobicContact CG2-CG1 4.44Å; V9-L291 CarbonylContact C-O 3.58Å; V9-L291 VanDerWaalsContact CA-O 3.26Å; V9-L291 WeakPolarHBondContact CA-O 3.47Å; V9-L291 HydrophobicContact CG2-CB 4.49Å; V9-F293 HydrophobicContact CG1-CD2 4.28Å; V9-F293 HydrophobicContact CG1-CE2 4.08Å; V9-L320 HydrophobicContact CB-CB 4.43Å; V9-L320 HydrophobicContact CG1-CB 4.28Å; V9-L320 HydrophobicContact CG2-CB 3.99Å; V9-L322 HydrophobicContact CG2-CB 4.31Å; V9-L322 HydrophobicContact CG2-CD1 3.9Å; V9-L322 HydrophobicContact CG2-CG 4.01Å
10R92.6Very high76.8Confident16 Ų1667.5 Ų67.56%0.0636%0.363CS..EExtended strand (participates in β ladder)trans-121138.1175.9-72.2169.671.8-156.65.5109.9D51 A66 L67 L291 T292 F293R10-D51 HydrophobicContact CB-CB 4.43Å; R10-A66 PolarHBondContact NH2-O 3.46Å; R10-L67 PolarHBondContact NH1-O 3.42Å; R10-L291 PolarHBondContact N-O 3.12Å; R10-T292 HydrophobicContact CB-CG2 4.42Å; R10-T292 WeakPolarHBondContact O-CA 3.37Å; R10-F293 PolarHBondContact O-N 3.29Å
11I94.4Very high76.4Confident0 Ų071.7 Ų71.70%038%0.378CS..EExtended strand (participates in β ladder)trans-113.9120172.8-46-59.7000108.8V9 F50 D51 H52 F293 A317 K318V9-I11 HydrophobicContact CG1-CD1 4.29Å; I11-F50 HydrophobicContact CB-CD1 3.85Å; I11-F50 HydrophobicContact CG2-CD1 3.44Å; I11-F50 VanDerWaalsContact CG2-CD1 3.44Å; I11-F50 HydrophobicContact CG2-CE1 3.89Å; I11-F50 HydrophobicContact CG2-CG 4.26Å; I11-D51 PolarHBondContact N-OD2 3.37Å; I11-D51 WeakPolarHBondContact O-CB 3.4Å; I11-D51 PolarHBondContact O-N 2.88Å; I11-H52 PolarHBondContact O-N 3.04Å; I11-F293 HydrophobicContact CD1-CB 3.88Å; I11-F293 HydrophobicContact CD1-CD2 3.53Å; I11-F293 HydrophobicContact CD1-CE2 4.32Å; I11-F293 HydrophobicContact CD1-CG 3.99Å; I11-A317 HydrophobicContact CD1-CB 3.59Å; I11-K318 HydrophobicContact CG1-CB 3.86Å; I11-K318 HydrophobicContact CG1-CG 4.17Å
12A97.3Very high78.1Confident0 Ų067.6 Ų67.60%036%0.361CS..EExtended strand (participates in β ladder)trans-107.8148.1165.700000110.2H52 F54 L67 F293 L294 A295A12-H52 CarbonylContact C-O 3.54Å; A12-H52 VanDerWaalsContact CA-O 3.31Å; A12-H52 WeakPolarHBondContact CA-O 3.31Å; A12-H52 HydrophobicContact CB-CB 3.99Å; A12-F54 HydrophobicContact CB-CD2 4.42Å; A12-F54 HydrophobicContact CB-CE2 3.94Å; A12-L67 HydrophobicContact CB-CD1 3.61Å; A12-L67 HydrophobicContact CB-CD2 3.63Å; A12-L67 HydrophobicContact CB-CG 4.26Å; A12-F293 PolarHBondContact N-O 3.08Å; A12-L294 HydrophobicContact CB-CD1 3.84Å; A12-L294 WeakPolarHBondContact O-CA 3.37Å; A12-A295 PolarHBondContact O-N 2.96Å
13V98Very high80.4Confident0 Ų060.9 Ų60.90%035%0.345CS..EExtended strand (participates in β ladder)trans-114.1141.2168.1-176.30000108.8L41 F50 H52 F54 A295 I297 L311V13-L41 HydrophobicContact CB-CD2 4.13Å; V13-L41 HydrophobicContact CG1-CD1 4.08Å; V13-L41 HydrophobicContact CG1-CD2 4.24Å; V13-L41 HydrophobicContact CG2-CD2 4.07Å; V13-F50 HydrophobicContact CB-CD2 4.48Å; V13-F50 HydrophobicContact CG2-CB 4.42Å; V13-F50 HydrophobicContact CG2-CD1 4.31Å; V13-F50 HydrophobicContact CG2-CD2 3.3Å; V13-F50 HydrophobicContact CG2-CE1 4.46Å; V13-F50 HydrophobicContact CG2-CE2 3.46Å; V13-F50 VanDerWaalsContact CG2-CE2 3.46Å; V13-F50 HydrophobicContact CG2-CG 3.74Å; V13-F50 HydrophobicContact CG2-CZ 4.06Å; V13-H52 PolarHBondContact N-O 3.46Å; V13-F54 WeakPolarHBondContact O-CB 3.29Å; V13-F54 WeakPolarHBondContact O-CD2 3.43Å; V13-F54 PolarHBondContact O-N 3.45Å; V13-A295 CarbonylContact C-O 3.57Å; V13-A295 WeakPolarHBondContact CA-O 3.47Å; V13-A295 HydrophobicContact CB-CB 4.46Å; V13-A295 HydrophobicContact CG1-CB 4.47Å; V13-A295 HydrophobicContact CG2-CB 4.09Å; V13-I297 HydrophobicContact CG1-CD1 3.66Å; V13-I297 HydrophobicContact CG1-CG1 3.98Å; V13-I297 HydrophobicContact CG1-CG2 4.27Å; V13-L311 HydrophobicContact CG1-CD2 3.96Å; V13-L311 HydrophobicContact CG2-CD2 3.93Å
14R97.8Very high82.2Confident17 Ų1767.1 Ų67.16%0.06435%0.346CS..EExtended strand (participates in β ladder)trans-129.1123.8168.6-169.8-177.2-162.8174.913.8110.1F54 I58 S59 S96 L294 A295 C296 I297R14-F54 WeakPolarHBondContact CA-O 3.36Å; R14-F54 HydrophobicContact CB-CB 4.43Å; R14-F54 HydrophobicContact CG-CB 4.29Å; R14-I58 PolarHBondContact NH2-O 2.81Å; R14-S59 PolarHBondContact NH2-O 3.32Å; R14-S59 VanDerWaalsContact NH2-O 3.17Å; R14-S96 PolarHBondContact NH1-OG 3.07Å; R14-L294 HydrophobicContact CB-CD1 4.04Å; R14-A295 PolarHBondContact N-O 2.82Å; R14-C296 WeakPolarHBondContact O-CA 3.42Å; R14-I297 PolarHBondContact O-N 2.73Å
15E97.8Very high83.5Confident15 Ų1570 Ų707%0.0734%0.337CS..EExtended strand (participates in β ladder)trans-73.4132.8169.1-173.6-166-153.500110.3S28 V30 F32 F54 A56 P299E15-S28 WeakPolarHBondContact OE1-CB 3.45Å; E15-S28 PolarHBondContact OE1-OG 3.46Å; E15-V30 HydrophobicContact CG-CG2 4.5Å; E15-F32 HydrophobicContact CB-CE2 4.22Å; E15-F32 HydrophobicContact CB-CZ 4.1Å; E15-F54 PolarHBondContact N-O 3.21Å; E15-A56 HydrophobicContact CB-CB 4.18Å; E15-A56 HydrophobicContact CG-CB 4.01Å; E15-A56 VanDerWaalsContact OE2-CB 3.24Å; E15-A56 WeakPolarHBondContact OE2-CB 3.39Å; E15-A56 PolarHBondContact OE2-N 2.93Å; E15-P299 HydrophobicContact CG-CB 4.25Å
16A95.2Very high84.4Confident10 Ų1068.1 Ų68.18%0.08333%0.33CS..PPolyproline II helixtrans-74.2146.317100000111.2Y18 I297 P299A16-Y18 PolarHBondContact O-N 3.37Å; A16-I297 VanDerWaalsContact CB-O 3.32Å; A16-I297 WeakPolarHBondContact CB-O 3.22Å; A16-I297 PolarHBondContact N-O 3.28Å; A16-P299 WeakPolarHBondContact O-CD 3.46Å; A16-P299 WeakPolarHBondContact O-CG 3.47Å
17P92.3Very high85.4Confident93 Ų9371.5 Ų71.560%0.60436%0.355SS*.PPolyproline II helixtrans-60.8128.5175.625.3-34.1000111.6R19P17-R19 PolarHBondContact O-N 3.16Å; P17-R19 VanDerWaalsContact O-N 3.14Å
18Y90.1Very high86.4Confident25 Ų2570.2 Ų70.210%0.09835%0.346CS..PPolyproline II helixtrans-59.5116.9176.7-169.5-66.2000109.5A16 Q20 R25 E26 P299 H300A16-Y18 PolarHBondContact O-N 3.37Å; Y18-Q20 PolarHBondContact O-N 2.96Å; Y18-R25 HydrophobicContact CD1-CG 3.88Å; Y18-R25 HydrophobicContact CG-CG 4.13Å; Y18-E26 HydrophobicContact CE1-CB 4.39Å; Y18-E26 HydrophobicContact CE2-CB 3.85Å; Y18-E26 WeakPolarHBondContact OH-CB 3.29Å; Y18-E26 WeakPolarHBondContact OH-CG 3.22Å; Y18-E26 PolarHBondContact OH-OE2 2.9Å; Y18-P299 HydrophobicContact CD2-CB 4.07Å; Y18-P299 HydrophobicContact CD2-CG 4.04Å; Y18-P299 HydrophobicContact CG-CG 4.32Å; Y18-H300 AromaticContact CD1-CE1 3.75Å; Y18-H300 AromaticContact CD2-CE1 3.99Å; Y18-H300 AromaticContact CD2-ND1 3.91Å; Y18-H300 AromaticContact CE1-CE1 3.48Å; Y18-H300 VanDerWaalsContact CE1-CE1 3.48Å; Y18-H300 WeakPolarHBondContact CE1-CE1 3.39Å; Y18-H300 AromaticContact CE1-ND1 3.74Å; Y18-H300 AromaticContact CE2-CE1 3.79Å; Y18-H300 AromaticContact CE2-ND1 3.36Å; Y18-H300 WeakPolarHBondContact CE2-ND1 3.42Å; Y18-H300 AromaticContact CG-CE1 3.93Å; Y18-H300 AromaticContact CZ-CE1 3.47Å; Y18-H300 VanDerWaalsContact CZ-CE1 3.47Å; Y18-H300 AromaticContact CZ-ND1 3.2Å; Y18-H300 PolarHBondContact OH-ND1 3.04Å
19R84.1Confident87Confident162 Ų16271.4 Ų71.461%0.61135%0.353SS*.PPolyproline II helixtrans-75.6117.4180-57.1-177.3-168.8171.16109.7P17 G90 H300P17-R19 PolarHBondContact O-N 3.16Å; P17-R19 VanDerWaalsContact O-N 3.14Å; R19-G90 PolarHBondContact NH2-O 3.42Å; R19-H300 PolarHBondContact N-NE2 3.34Å
20Q78.3Confident87.4Confident133 Ų13371.5 Ų71.562%0.62135%0.353SS*.PPolyproline II helixtrans-62.2141.9177.9-64.4179.8-1.500111.2Y18 R24 R25Y18-Q20 PolarHBondContact O-N 2.96Å; Q20-R24 WeakPolarHBondContact CA-O 3.32Å; Q20-R25 HydrophobicContact CG-CB 4.34Å
21F70.2Confident87.5Confident156 Ų15676.6 Ų76.668%0.68438%0.378SS*.BIsolated β-bridgetrans-121.3120.3171.8-173.6-102.6000109.2G23 R24F21-G23 PolarHBondContact O-N 3.25Å; F21-R24 PolarHBondContact N-O 2.93Å; F21-R24 WeakPolarHBondContact O-CB 3.47Å; F21-R24 PolarHBondContact O-N 3.27Å
22L65.2Low87.6Confident154 Ų15479 Ų7981%0.80639%0.389SS*.THydrogen-bonded Turntrans5041.9-174-60.2171.7000112.9R24L22-R24 PolarHBondContact O-N 2.97Å; L22-R24 VanDerWaalsContact O-N 3.1Å
23G75.7Confident87.4Confident59 Ų5979.4 Ų79.461%0.60839%0.391SS*.THydrogen-bonded Turntrans72-8.3-177.100000115.5F21F21-G23 PolarHBondContact O-N 3.25Å
24R72.8Confident87Confident202 Ų20285.7 Ų85.776%0.76243%0.432SS*.BIsolated β-bridgetrans-81.9136.7174.9-60.8-174.8179.5-170.6-0.8110.2Q20 F21 L22Q20-R24 WeakPolarHBondContact CA-O 3.32Å; F21-R24 PolarHBondContact N-O 2.93Å; F21-R24 WeakPolarHBondContact O-CB 3.47Å; F21-R24 PolarHBondContact O-N 3.27Å; L22-R24 PolarHBondContact O-N 2.97Å; L22-R24 VanDerWaalsContact O-N 3.1Å
25R78Confident86.7Confident157 Ų15793.2 Ų93.259%0.59246%0.46SS*.  trans-115.8114.7168.7-176.9177.1-179.9170.41.1107.3Y18 Q20Y18-R25 HydrophobicContact CD1-CG 3.88Å; Y18-R25 HydrophobicContact CG-CG 4.13Å; Q20-R25 HydrophobicContact CG-CB 4.34Å
26E82.9Confident86.1Confident115 Ų11593.4 Ų93.454%0.53746%0.463SS..PPolyproline II helixtrans-76162.9173.3-54.3175.9157.900109.8Y18Y18-E26 HydrophobicContact CE1-CB 4.39Å; Y18-E26 HydrophobicContact CE2-CB 3.85Å; Y18-E26 WeakPolarHBondContact OH-CB 3.29Å; Y18-E26 WeakPolarHBondContact OH-CG 3.22Å; Y18-E26 PolarHBondContact OH-OE2 2.9Å
27P87.3Confident85.8Confident118 Ų11898.4 Ų98.477%0.76649%0.489SS*.PPolyproline II helixtrans-56.3146165.8-22.834.5000111.3
28S93.5Very high85.8Confident32 Ų3295.6 Ų95.622%0.22448%0.476CS..PPolyproline II helixtrans-70.3145.9168.3-173.30000110.1E15 V30 P299E15-S28 WeakPolarHBondContact OE1-CB 3.45Å; E15-S28 PolarHBondContact OE1-OG 3.46Å; S28-V30 WeakPolarHBondContact CB-O 3.46Å; S28-V30 PolarHBondContact O-N 2.84Å; S28-V30 WeakPolarHBondContact OG-CB 3.47Å; S28-V30 PolarHBondContact OG-N 3.43Å; S28-V30 PolarHBondContact OG-O 2.9Å; S28-P299 WeakPolarHBondContact OG-CA 3.4Å; S28-P299 WeakPolarHBondContact OG-CB 3.46Å
29V94.9Very high86Confident30 Ų3098.6 Ų98.618%0.18249%0.49CS..SBendtrans-75.4-4.9165.5-57.90000113P299 Q301 L304V29-P299 PolarHBondContact N-O 2.88Å; V29-P299 VanDerWaalsContact N-O 3.08Å; V29-Q301 HydrophobicContact CG1-CB 3.63Å; V29-Q301 HydrophobicContact CG1-CG 3.96Å; V29-L304 HydrophobicContact CB-CD1 4.14Å; V29-L304 HydrophobicContact CG2-CD1 3.82Å
30V96.5Very high86.6Confident8 Ų891 Ų915%0.04846%0.461CS..EExtended strand (participates in β ladder)trans-99.2128.4173.4-1710000109.2E15 S28 F32 L41 V43 I297E15-V30 HydrophobicContact CG-CG2 4.5Å; S28-V30 WeakPolarHBondContact CB-O 3.46Å; S28-V30 PolarHBondContact O-N 2.84Å; S28-V30 WeakPolarHBondContact OG-CB 3.47Å; S28-V30 PolarHBondContact OG-N 3.43Å; S28-V30 PolarHBondContact OG-O 2.9Å; V30-F32 HydrophobicContact CB-CE2 4.35Å; V30-F32 HydrophobicContact CG1-CD2 4.21Å; V30-F32 HydrophobicContact CG1-CE2 3.51Å; V30-F32 HydrophobicContact CG1-CZ 3.81Å; V30-L41 HydrophobicContact CG1-CB 4.27Å; V30-L41 HydrophobicContact CG1-CD1 3.64Å; V30-V43 HydrophobicContact CB-CG2 4.31Å; V30-V43 HydrophobicContact CG1-CG2 4.07Å; V30-V43 HydrophobicContact CG2-CG2 4.04Å; V30-I297 HydrophobicContact CG1-CD1 4.09Å; V30-I297 HydrophobicContact CG2-CD1 3.74Å
31Q95.7Very high87.5Confident122 Ų12284.6 Ų84.657%0.5743%0.432SS*.EExtended strand (participates in β ladder)trans-119.4136177.2-61.4176.32.300109.4L41 I42Q31-L41 CarbonylContact O-C 3.43Å; Q31-L41 WeakPolarHBondContact O-CA 3.39Å; Q31-I42 HydrophobicContact CB-CB 4.29Å; Q31-I42 PolarHBondContact N-O 2.93Å; Q31-I42 PolarHBondContact O-N 3.26Å
32F95.8Very high88.8Confident52 Ų5278.7 Ų78.723%0.22841%0.407CS..  trans-110.1103175.6-66.7-94.7000107.5E15 V30 L41 A53 P55E15-F32 HydrophobicContact CB-CE2 4.22Å; E15-F32 HydrophobicContact CB-CZ 4.1Å; V30-F32 HydrophobicContact CB-CE2 4.35Å; V30-F32 HydrophobicContact CG1-CD2 4.21Å; V30-F32 HydrophobicContact CG1-CE2 3.51Å; V30-F32 HydrophobicContact CG1-CZ 3.81Å; F32-L41 HydrophobicContact CD1-CB 4.04Å; F32-L41 HydrophobicContact CE1-CB 3.92Å; F32-L41 HydrophobicContact CZ-CB 4.4Å; F32-A53 HydrophobicContact CD1-CB 4.36Å; F32-A53 HydrophobicContact CE1-CB 4.04Å; F32-P55 HydrophobicContact CD1-CB 4.37Å; F32-P55 HydrophobicContact CD2-CB 3.75Å; F32-P55 HydrophobicContact CE1-CB 4.3Å; F32-P55 HydrophobicContact CE2-CB 3.67Å; F32-P55 HydrophobicContact CG-CB 4.1Å; F32-P55 VanDerWaalsContact CZ-CA 3.47Å; F32-P55 HydrophobicContact CZ-CB 3.97Å
33P93.1Very high90.3Very high8 Ų871.4 Ų71.45%0.05237%0.369CS..  trans-70.9154.8-174.327.2-33.1000111.6W35 S36 I42P33-W35 HydrophobicContact CB-CD2 3.7Å; P33-W35 HydrophobicContact CB-CE3 4.01Å; P33-W35 HydrophobicContact CB-CG 4.33Å; P33-W35 HydrophobicContact CB-CH2 3.77Å; P33-W35 HydrophobicContact CB-CZ2 3.43Å; P33-W35 VanDerWaalsContact CB-CZ2 3.43Å; P33-W35 HydrophobicContact CB-CZ3 4.04Å; P33-W35 HydrophobicContact CG-CD2 4.31Å; P33-W35 HydrophobicContact CG-CZ2 4Å; P33-W35 PolarHBondContact O-N 3.35Å; P33-S36 WeakPolarHBondContact O-CB 3.46Å; P33-S36 PolarHBondContact O-N 2.96Å; P33-S36 PolarHBondContact O-OG 2.95Å; P33-I42 HydrophobicContact CB-CD1 4.18Å; P33-I42 HydrophobicContact CG-CD1 4.01Å; P33-I42 HydrophobicContact CG-CG1 4.25Å
34P89.4Confident91.2Very high131 Ų13172.9 Ų72.985%0.85136%0.362SS*.G310 helixtrans-59.6-30.5-179.1-25.935.5000114.2S36P34-S36 VanDerWaalsContact C-N 3.25Å; P34-S36 PolarHBondContact O-N 2.99Å
35W91.4Very high92.1Very high175 Ų17572.4 Ų72.466%0.66337%0.369SS*.G310 helixtrans-80.11.1176.261.880.8000114.1P33 D37 I42 E47P33-W35 HydrophobicContact CB-CD2 3.7Å; P33-W35 HydrophobicContact CB-CE3 4.01Å; P33-W35 HydrophobicContact CB-CG 4.33Å; P33-W35 HydrophobicContact CB-CH2 3.77Å; P33-W35 HydrophobicContact CB-CZ2 3.43Å; P33-W35 VanDerWaalsContact CB-CZ2 3.43Å; P33-W35 HydrophobicContact CB-CZ3 4.04Å; P33-W35 HydrophobicContact CG-CD2 4.31Å; P33-W35 HydrophobicContact CG-CZ2 4Å; P33-W35 PolarHBondContact O-N 3.35Å; W35-D37 PolarHBondContact O-N 3.45Å; W35-I42 HydrophobicContact CZ2-CD1 4.18Å; W35-E47 PolarHBondContact NE1-OE1 3.16Å
36S85.2Confident93Very high19 Ų1968.3 Ų68.313%0.13336%0.359CS..G310 helixtrans-64-24.7-17457.90000114.5P33 P34 G38 K39 S40P33-S36 WeakPolarHBondContact O-CB 3.46Å; P33-S36 PolarHBondContact O-N 2.96Å; P33-S36 PolarHBondContact O-OG 2.95Å; P34-S36 VanDerWaalsContact C-N 3.25Å; P34-S36 PolarHBondContact O-N 2.99Å; S36-G38 PolarHBondContact O-N 3.23Å; S36-G38 VanDerWaalsContact O-N 3.09Å; S36-K39 WeakPolarHBondContact O-CA 3.23Å; S36-K39 WeakPolarHBondContact O-CB 3.26Å; S36-K39 PolarHBondContact O-N 3.41Å; S36-S40 WeakPolarHBondContact CA-OG 3.5Å; S36-S40 VanDerWaalsContact CB-O 3.31Å; S36-S40 WeakPolarHBondContact CB-O 3.46Å; S36-S40 VanDerWaalsContact CB-OG 3.28Å; S36-S40 WeakPolarHBondContact CB-OG 3.31Å; S36-S40 PolarHBondContact O-N 3.4Å
37D89.1Confident93.6Very high116 Ų11666.3 Ų66.362%0.6235%0.349SS*.THydrogen-bonded Turntrans47.737.6-175.2-172.132.6000112.6W35 K39W35-D37 PolarHBondContact O-N 3.45Å; D37-K39 HydrophobicContact CB-CD 4.36Å; D37-K39 VanDerWaalsContact O-CD 3.28Å; D37-K39 WeakPolarHBondContact O-CD 3.39Å; D37-K39 WeakPolarHBondContact O-CE 3.3Å; D37-K39 WeakPolarHBondContact O-CG 3.25Å; D37-K39 PolarHBondContact O-N 3.06Å; D37-K39 IonicContact OD2-NZ 2.74Å; D37-K39 PolarHBondContact OD2-NZ 3.07Å
38G91.9Very high94Very high33 Ų3361.5 Ų61.534%0.3432%0.316SS..THydrogen-bonded Turntrans62.722.8-175.700000114.6S36 H52 A53S36-G38 PolarHBondContact O-N 3.23Å; S36-G38 VanDerWaalsContact O-N 3.09Å; G38-H52 CarbonylContact O-C 3.55Å; G38-H52 WeakPolarHBondContact O-CA 3.48Å; G38-A53 PolarHBondContact O-N 3.47Å
39K94.9Very high94.1Very high88 Ų8865.1 Ų65.138%0.38333%0.33SS..THydrogen-bonded Turntrans-128.8-24.3-173.2-68.8146.6-168.5164.20114.9S36 D37 F50S36-K39 WeakPolarHBondContact O-CA 3.23Å; S36-K39 WeakPolarHBondContact O-CB 3.26Å; S36-K39 PolarHBondContact O-N 3.41Å; D37-K39 HydrophobicContact CB-CD 4.36Å; D37-K39 VanDerWaalsContact O-CD 3.28Å; D37-K39 WeakPolarHBondContact O-CD 3.39Å; D37-K39 WeakPolarHBondContact O-CE 3.3Å; D37-K39 WeakPolarHBondContact O-CG 3.25Å; D37-K39 PolarHBondContact O-N 3.06Å; D37-K39 IonicContact OD2-NZ 2.74Å; D37-K39 PolarHBondContact OD2-NZ 3.07Å; K39-F50 PolarHBondContact O-N 3.39Å
40S96Very high94.1Very high2 Ų264 Ų641%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-111.1157.4174.383.80000113.9S36 E47 F48S36-S40 WeakPolarHBondContact CA-OG 3.5Å; S36-S40 VanDerWaalsContact CB-O 3.31Å; S36-S40 WeakPolarHBondContact CB-O 3.46Å; S36-S40 VanDerWaalsContact CB-OG 3.28Å; S36-S40 WeakPolarHBondContact CB-OG 3.31Å; S36-S40 PolarHBondContact O-N 3.4Å; S40-E47 VanDerWaalsContact CB-OE1 3.26Å; S40-E47 WeakPolarHBondContact CB-OE1 3.31Å; S40-E47 PolarHBondContact OG-OE1 3.21Å; S40-F48 VanDerWaalsContact CA-O 3.26Å; S40-F48 WeakPolarHBondContact CA-O 3.45Å
41L97.4Very high94.1Very high0 Ų065.7 Ų65.70%033%0.331CS..EExtended strand (participates in β ladder)trans-148.8148.8168.660.4150.2000110.3V13 V30 Q31 F32 V43 E47 F48 F50 A53 I297 L311V13-L41 HydrophobicContact CB-CD2 4.13Å; V13-L41 HydrophobicContact CG1-CD1 4.08Å; V13-L41 HydrophobicContact CG1-CD2 4.24Å; V13-L41 HydrophobicContact CG2-CD2 4.07Å; V30-L41 HydrophobicContact CG1-CB 4.27Å; V30-L41 HydrophobicContact CG1-CD1 3.64Å; Q31-L41 CarbonylContact O-C 3.43Å; Q31-L41 WeakPolarHBondContact O-CA 3.39Å; F32-L41 HydrophobicContact CD1-CB 4.04Å; F32-L41 HydrophobicContact CE1-CB 3.92Å; F32-L41 HydrophobicContact CZ-CB 4.4Å; L41-V43 HydrophobicContact CD1-CG2 4.12Å; L41-E47 WeakPolarHBondContact O-CA 3.5Å; L41-F48 PolarHBondContact N-O 2.97Å; L41-F48 PolarHBondContact O-N 2.85Å; L41-F50 HydrophobicContact CD2-CD2 3.65Å; L41-F50 HydrophobicContact CD2-CE2 3.8Å; L41-A53 HydrophobicContact CD2-CB 3.73Å; L41-I297 HydrophobicContact CD1-CD1 3.71Å; L41-L311 HydrophobicContact CD1-CD1 4.23Å; L41-L311 HydrophobicContact CD1-CD2 4.01Å
42I97.2Very high94.1Very high32 Ų3262.6 Ų62.616%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-107.6129.9178.7-57.5170.1000108.9Q31 P33 W35 N46 E47Q31-I42 HydrophobicContact CB-CB 4.29Å; Q31-I42 PolarHBondContact N-O 2.93Å; Q31-I42 PolarHBondContact O-N 3.26Å; P33-I42 HydrophobicContact CB-CD1 4.18Å; P33-I42 HydrophobicContact CG-CD1 4.01Å; P33-I42 HydrophobicContact CG-CG1 4.25Å; W35-I42 HydrophobicContact CZ2-CD1 4.18Å; I42-N46 WeakPolarHBondContact CA-O 3.37Å; I42-E47 HydrophobicContact CG1-CB 3.92Å; I42-E47 HydrophobicContact CG1-CG 3.81Å
43V96.5Very high94.2Very high1 Ų160.2 Ų60.21%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-140.1129.5174-177.70000108.4V30 L41 Q45 N46 F48 L304 T307 L308 L311V30-V43 HydrophobicContact CB-CG2 4.31Å; V30-V43 HydrophobicContact CG1-CG2 4.07Å; V30-V43 HydrophobicContact CG2-CG2 4.04Å; L41-V43 HydrophobicContact CD1-CG2 4.12Å; V43-Q45 VanDerWaalsContact C-N 3.31Å; V43-Q45 PolarHBondContact O-N 2.88Å; V43-N46 PolarHBondContact N-O 3.36Å; V43-N46 WeakPolarHBondContact O-CB 3.42Å; V43-N46 PolarHBondContact O-N 3.11Å; V43-F48 HydrophobicContact CB-CE2 4.27Å; V43-L304 HydrophobicContact CG1-CD1 3.49Å; V43-L304 VanDerWaalsContact CG1-CD1 3.49Å; V43-T307 HydrophobicContact CG1-CG2 4.11Å; V43-T307 HydrophobicContact CG2-CG2 4.42Å; V43-L308 HydrophobicContact CB-CD2 4.27Å; V43-L308 HydrophobicContact CG1-CD2 3.92Å; V43-L308 HydrophobicContact CG1-CG 4.28Å; V43-L311 HydrophobicContact CB-CD1 4.13Å; V43-L311 HydrophobicContact CG2-CD1 3.69Å
44D94.9Very high94.4Very high89 Ų8960.5 Ų60.548%0.47631%0.307SS..THydrogen-bonded Turntrans51.947.6179.1-159.635.5000112.6N46 L304 L308D44-N46 PolarHBondContact O-N 3.13Å; D44-N46 PolarHBondContact O-ND2 2.86Å; D44-L304 HydrophobicContact CB-CD1 4.22Å; D44-L304 HydrophobicContact CB-CD2 4.28Å; D44-L308 HydrophobicContact CB-CD1 3.98Å; D44-L308 HydrophobicContact CB-CD2 4.18Å
45Q93.3Very high94.7Very high193 Ų19355.9 Ų55.990%0.90228%0.277SS*.THydrogen-bonded Turntrans62.50.2-174.4-50.3178.33.400116.1V43V43-Q45 VanDerWaalsContact C-N 3.31Å; V43-Q45 PolarHBondContact O-N 2.88Å
46N95.5Very high94.9Very high70 Ų7048.7 Ų48.737%0.37426%0.255SS..EExtended strand (participates in β ladder)trans-96.9123.9178-67.8-105000110.5I42 V43 D44 F48I42-N46 WeakPolarHBondContact CA-O 3.37Å; V43-N46 PolarHBondContact N-O 3.36Å; V43-N46 WeakPolarHBondContact O-CB 3.42Å; V43-N46 PolarHBondContact O-N 3.11Å; D44-N46 PolarHBondContact O-N 3.13Å; D44-N46 PolarHBondContact O-ND2 2.86Å; N46-F48 HydrophobicContact CB-CD2 4.32Å; N46-F48 HydrophobicContact CB-CE2 3.56Å; N46-F48 HydrophobicContact CB-CZ 3.84Å; N46-F48 WeakPolarHBondContact O-CD2 3.3Å; N46-F48 WeakPolarHBondContact O-CE2 3.5Å
47E96Very high95.4Very high73 Ų7353.4 Ų53.434%0.34128%0.283SS..EExtended strand (participates in β ladder)trans-90.4121.7172.4-167.1173.7-159.900111.9W35 S40 L41 I42 H49W35-E47 PolarHBondContact NE1-OE1 3.16Å; S40-E47 VanDerWaalsContact CB-OE1 3.26Å; S40-E47 WeakPolarHBondContact CB-OE1 3.31Å; S40-E47 PolarHBondContact OG-OE1 3.21Å; L41-E47 WeakPolarHBondContact O-CA 3.5Å; I42-E47 HydrophobicContact CG1-CB 3.92Å; I42-E47 HydrophobicContact CG1-CG 3.81Å; E47-H49 IonicContact OE1-CE1 3.19Å; E47-H49 IonicContact OE2-CE1 2.78Å
48F96.7Very high95.7Very high17 Ų1749.6 Ų49.68%0.07526%0.263CS..EExtended strand (participates in β ladder)trans-108.2133.2-179.9-59.9-95.3000111S40 L41 V43 N46 F50 L308 L311 R312S40-F48 VanDerWaalsContact CA-O 3.26Å; S40-F48 WeakPolarHBondContact CA-O 3.45Å; L41-F48 PolarHBondContact N-O 2.97Å; L41-F48 PolarHBondContact O-N 2.85Å; V43-F48 HydrophobicContact CB-CE2 4.27Å; N46-F48 HydrophobicContact CB-CD2 4.32Å; N46-F48 HydrophobicContact CB-CE2 3.56Å; N46-F48 HydrophobicContact CB-CZ 3.84Å; N46-F48 WeakPolarHBondContact O-CD2 3.3Å; N46-F48 WeakPolarHBondContact O-CE2 3.5Å; F48-F50 HydrophobicContact CB-CD2 4.25Å; F48-F50 HydrophobicContact CB-CE2 3.35Å; F48-F50 HydrophobicContact CB-CZ 3.79Å; F48-F50 HydrophobicContact CD1-CZ 4.46Å; F48-F50 HydrophobicContact CG-CE2 4.36Å; F48-F50 HydrophobicContact CG-CZ 4.49Å; F48-L308 HydrophobicContact CE2-CD2 3.97Å; F48-L308 HydrophobicContact CZ-CD2 3.84Å; F48-L311 HydrophobicContact CD1-CB 3.87Å; F48-L311 HydrophobicContact CD2-CB 4.37Å; F48-L311 HydrophobicContact CD2-CD1 3.91Å; F48-L311 HydrophobicContact CE1-CB 3.83Å; F48-L311 HydrophobicContact CE2-CB 4.33Å; F48-L311 HydrophobicContact CE2-CD1 3.92Å; F48-L311 HydrophobicContact CG-CB 4.15Å; F48-L311 HydrophobicContact CG-CD1 4.39Å; F48-L311 HydrophobicContact CZ-CB 4.07Å; F48-L311 HydrophobicContact CZ-CD1 4.42Å; F48-R312 HydrophobicContact CE1-CG 4.15Å
49H95.4Very high96Very high108 Ų10850.2 Ų50.250%0.526%0.262SS..EExtended strand (participates in β ladder)trans-116.1118.2-172.9-71.874.1000112.1E47 K318E47-H49 IonicContact OE1-CE1 3.19Å; E47-H49 IonicContact OE2-CE1 2.78Å; H49-K318 VanDerWaalsContact O-CD 3.3Å; H49-K318 WeakPolarHBondContact O-CD 3.26Å; H49-K318 PolarHBondContact O-NZ 2.92Å
50F95.2Very high96.1Very high7 Ų746.1 Ų46.13%0.03124%0.244CC..  trans-120.4-165.2-173.6-64-67.7000112.6I11 V13 K39 L41 F48 L311 K318I11-F50 HydrophobicContact CB-CD1 3.85Å; I11-F50 HydrophobicContact CG2-CD1 3.44Å; I11-F50 VanDerWaalsContact CG2-CD1 3.44Å; I11-F50 HydrophobicContact CG2-CE1 3.89Å; I11-F50 HydrophobicContact CG2-CG 4.26Å; V13-F50 HydrophobicContact CB-CD2 4.48Å; V13-F50 HydrophobicContact CG2-CB 4.42Å; V13-F50 HydrophobicContact CG2-CD1 4.31Å; V13-F50 HydrophobicContact CG2-CD2 3.3Å; V13-F50 HydrophobicContact CG2-CE1 4.46Å; V13-F50 HydrophobicContact CG2-CE2 3.46Å; V13-F50 VanDerWaalsContact CG2-CE2 3.46Å; V13-F50 HydrophobicContact CG2-CG 3.74Å; V13-F50 HydrophobicContact CG2-CZ 4.06Å; K39-F50 PolarHBondContact O-N 3.39Å; L41-F50 HydrophobicContact CD2-CD2 3.65Å; L41-F50 HydrophobicContact CD2-CE2 3.8Å; F48-F50 HydrophobicContact CB-CD2 4.25Å; F48-F50 HydrophobicContact CB-CE2 3.35Å; F48-F50 HydrophobicContact CB-CZ 3.79Å; F48-F50 HydrophobicContact CD1-CZ 4.46Å; F48-F50 HydrophobicContact CG-CE2 4.36Å; F48-F50 HydrophobicContact CG-CZ 4.49Å; F50-L311 HydrophobicContact CE2-CD2 3.77Å; F50-L311 HydrophobicContact CZ-CB 4.48Å; F50-L311 HydrophobicContact CZ-CD2 3.98Å; F50-K318 VanDerWaalsContact CA-NZ 3.34Å; F50-K318 PolarHBondContact O-NZ 3.39Å
51D94.7Very high96.2Very high44 Ų4448.7 Ų48.724%0.23526%0.258CS..SBendtrans-89.2-33.4169.6-58.4-99.9000110.4R10 I11R10-D51 HydrophobicContact CB-CB 4.43Å; I11-D51 PolarHBondContact N-OD2 3.37Å; I11-D51 WeakPolarHBondContact O-CB 3.4Å; I11-D51 PolarHBondContact O-N 2.88Å
52H96.2Very high96.1Very high56 Ų5653.5 Ų53.526%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-142.6145.2170-61.9-92.4000111.2I11 A12 V13 G38 F54I11-H52 PolarHBondContact O-N 3.04Å; A12-H52 CarbonylContact C-O 3.54Å; A12-H52 VanDerWaalsContact CA-O 3.31Å; A12-H52 WeakPolarHBondContact CA-O 3.31Å; A12-H52 HydrophobicContact CB-CB 3.99Å; V13-H52 PolarHBondContact N-O 3.46Å; G38-H52 CarbonylContact O-C 3.55Å; G38-H52 WeakPolarHBondContact O-CA 3.48Å; H52-F54 HydrophobicContact CB-CD2 4.31Å; H52-F54 HydrophobicContact CB-CE1 4.11Å; H52-F54 HydrophobicContact CB-CE2 3.68Å; H52-F54 HydrophobicContact CB-CZ 3.57Å; H52-F54 AromaticContact CE1-CE1 3.66Å; H52-F54 AromaticContact CE1-CZ 3.73Å; H52-F54 AromaticContact CG-CZ 3.78Å; H52-F54 AromaticContact ND1-CZ 3.85Å
53A97.4Very high96.2Very high3 Ų352 Ų523%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-134.394.8177.300000108.4F32 G38 L41 P55F32-A53 HydrophobicContact CD1-CB 4.36Å; F32-A53 HydrophobicContact CE1-CB 4.04Å; G38-A53 PolarHBondContact O-N 3.47Å; L41-A53 HydrophobicContact CD2-CB 3.73Å; A53-P55 WeakPolarHBondContact O-CD 3.45Å
54F97.6Very high96.2Very high13 Ų1352.1 Ų52.16%0.05727%0.273CS..EExtended strand (participates in β ladder)trans-92.5114.6-175.4-57.4-63.1000111.1A12 V13 R14 E15 H52 I58 M63 A66 L67A12-F54 HydrophobicContact CB-CD2 4.42Å; A12-F54 HydrophobicContact CB-CE2 3.94Å; V13-F54 WeakPolarHBondContact O-CB 3.29Å; V13-F54 WeakPolarHBondContact O-CD2 3.43Å; V13-F54 PolarHBondContact O-N 3.45Å; R14-F54 WeakPolarHBondContact CA-O 3.36Å; R14-F54 HydrophobicContact CB-CB 4.43Å; R14-F54 HydrophobicContact CG-CB 4.29Å; E15-F54 PolarHBondContact N-O 3.21Å; H52-F54 HydrophobicContact CB-CD2 4.31Å; H52-F54 HydrophobicContact CB-CE1 4.11Å; H52-F54 HydrophobicContact CB-CE2 3.68Å; H52-F54 HydrophobicContact CB-CZ 3.57Å; H52-F54 AromaticContact CE1-CE1 3.66Å; H52-F54 AromaticContact CE1-CZ 3.73Å; H52-F54 AromaticContact CG-CZ 3.78Å; H52-F54 AromaticContact ND1-CZ 3.85Å; F54-I58 HydrophobicContact CB-CB 4.15Å; F54-I58 HydrophobicContact CB-CG1 4.04Å; F54-I58 HydrophobicContact CB-CG2 4.3Å; F54-I58 HydrophobicContact CD1-CB 4.49Å; F54-I58 HydrophobicContact CD1-CG1 4.19Å; F54-I58 HydrophobicContact CD1-CG2 3.93Å; F54-I58 HydrophobicContact CG-CG2 4.31Å; F54-M63 HydrophobicContact CD2-CG 3.86Å; F54-M63 HydrophobicContact CE2-CB 4.49Å; F54-M63 HydrophobicContact CE2-CG 3.72Å; F54-M63 HydrophobicContact CG-CG 4.44Å; F54-M63 HydrophobicContact CZ-CG 4.2Å; F54-A66 HydrophobicContact CE1-CB 4.25Å; F54-A66 HydrophobicContact CZ-CB 4.16Å; F54-L67 HydrophobicContact CE2-CB 4.41Å; F54-L67 HydrophobicContact CE2-CD2 4.39Å; F54-L67 HydrophobicContact CZ-CB 4.39Å
55P96.5Very high96.3Very high34 Ų3452 Ų5222%0.22127%0.269CS..  trans-66.1163.6168.426.5-33.5000111.7F32 A53 T57 I58F32-P55 HydrophobicContact CD1-CB 4.37Å; F32-P55 HydrophobicContact CD2-CB 3.75Å; F32-P55 HydrophobicContact CE1-CB 4.3Å; F32-P55 HydrophobicContact CE2-CB 3.67Å; F32-P55 HydrophobicContact CG-CB 4.1Å; F32-P55 VanDerWaalsContact CZ-CA 3.47Å; F32-P55 HydrophobicContact CZ-CB 3.97Å; A53-P55 WeakPolarHBondContact O-CD 3.45Å; P55-T57 PolarHBondContact O-N 2.99Å; P55-I58 HydrophobicContact CG-CG1 4Å; P55-I58 WeakPolarHBondContact O-CB 3.28Å; P55-I58 WeakPolarHBondContact O-CG1 3.29Å; P55-I58 PolarHBondContact O-N 3.26Å
56A95.6Very high96.4Very high25 Ų2544.2 Ų44.221%0.20724%0.238CC..THydrogen-bonded Turntrans-65.6-3.9-17700000115E15E15-A56 HydrophobicContact CB-CB 4.18Å; E15-A56 HydrophobicContact CG-CB 4.01Å; E15-A56 VanDerWaalsContact OE2-CB 3.24Å; E15-A56 WeakPolarHBondContact OE2-CB 3.39Å; E15-A56 PolarHBondContact OE2-N 2.93Å
57T94.8Very high96.5Very high118 Ų11840.9 Ų40.972%0.72422%0.22SC*.THydrogen-bonded Turntrans-80.4-18.4171.650.80000113.5P55 S59P55-T57 PolarHBondContact O-N 2.99Å; T57-S59 PolarHBondContact O-N 3.34Å
58I96.5Very high96.5Very high35 Ų3537.4 Ų37.418%0.17920%0.204CC..  trans-73.1123.9-175.4-61.8-65.3000111.1R14 F54 P55 E62 M63R14-I58 PolarHBondContact NH2-O 2.81Å; F54-I58 HydrophobicContact CB-CB 4.15Å; F54-I58 HydrophobicContact CB-CG1 4.04Å; F54-I58 HydrophobicContact CB-CG2 4.3Å; F54-I58 HydrophobicContact CD1-CB 4.49Å; F54-I58 HydrophobicContact CD1-CG1 4.19Å; F54-I58 HydrophobicContact CD1-CG2 3.93Å; F54-I58 HydrophobicContact CG-CG2 4.31Å; P55-I58 HydrophobicContact CG-CG1 4Å; P55-I58 WeakPolarHBondContact O-CB 3.28Å; P55-I58 WeakPolarHBondContact O-CG1 3.29Å; P55-I58 PolarHBondContact O-N 3.26Å; I58-E62 HydrophobicContact CG2-CB 3.91Å; I58-M63 HydrophobicContact CG2-CB 3.93Å
59S97.2Very high96.6Very high47 Ų4738.1 Ų38.133%0.32921%0.208SC..  trans-64.5174.6179.269.70000113.1R14 T57 D61 E62 M63R14-S59 PolarHBondContact NH2-O 3.32Å; R14-S59 VanDerWaalsContact NH2-O 3.17Å; T57-S59 PolarHBondContact O-N 3.34Å; S59-D61 VanDerWaalsContact C-N 3.31Å; S59-D61 PolarHBondContact OG-N 3.35Å; S59-E62 WeakPolarHBondContact CB-OE2 3.21Å; S59-E62 PolarHBondContact N-OE2 2.92Å; S59-E62 WeakPolarHBondContact OG-CG 3.33Å; S59-E62 PolarHBondContact OG-N 3.18Å; S59-E62 PolarHBondContact OG-OE2 3.22Å; S59-M63 WeakPolarHBondContact O-CB 3.3Å
60Q97.3Very high96.6Very high1 Ų134.6 Ų34.61%0.00520%0.195CC..Hα-helixtrans-67.5-33.3171.4-63.6-80.459.200112Y64 Y95 E108 H109 L110 G111Q60-Y64 VanDerWaalsContact O-CB 3.25Å; Q60-Y64 WeakPolarHBondContact O-CB 3.37Å; Q60-Y64 PolarHBondContact O-N 2.93Å; Q60-Y64 VanDerWaalsContact O-N 3.1Å; Q60-Y95 HydrophobicContact CG-CE1 4.29Å; Q60-Y95 PolarHBondContact NE2-O 2.64Å; Q60-E108 WeakPolarHBondContact CG-O 3.41Å; Q60-H109 PolarHBondContact NE2-O 3.29Å; Q60-L110 WeakPolarHBondContact CB-O 3.21Å; Q60-G111 VanDerWaalsContact NE2-CA 3.32Å
61D97.5Very high96.6Very high57 Ų5734.4 Ų34.431%0.30519%0.194SC..Hα-helixtrans-75.8-53.6-174.9-16070.8000111.9S59 M63 Y64 Q65 R115S59-D61 VanDerWaalsContact C-N 3.31Å; S59-D61 PolarHBondContact OG-N 3.35Å; D61-M63 PolarHBondContact O-N 2.6Å; D61-M63 VanDerWaalsContact O-N 3.15Å; D61-Y64 CarbonylContact O-C 3.45Å; D61-Y64 WeakPolarHBondContact O-CA 3.39Å; D61-Y64 WeakPolarHBondContact O-CB 3.21Å; D61-Y64 PolarHBondContact O-N 2.91Å; D61-Q65 WeakPolarHBondContact O-CG 3.46Å; D61-Q65 PolarHBondContact O-N 3.41Å; D61-Q65 VanDerWaalsContact OD2-CG 3.26Å; D61-Q65 WeakPolarHBondContact OD2-CG 3.44Å; D61-Q65 PolarHBondContact OD2-NE2 2.9Å; D61-Q65 VanDerWaalsContact OD2-NE2 3.08Å; D61-R115 IonicContact OD1-CZ 2.75Å; D61-R115 IonicContact OD1-NE 3.58Å; D61-R115 IonicContact OD1-NH1 3.99Å; D61-R115 PolarHBondContact OD1-NH1 3Å
62E97Very high96.7Very high101 Ų10132.3 Ų32.347%0.47218%0.183SC..Hα-helixtrans-52.6-42.4178.1-66.5160.2103.100112.2I58 S59 A66I58-E62 HydrophobicContact CG2-CB 3.91Å; S59-E62 WeakPolarHBondContact CB-OE2 3.21Å; S59-E62 PolarHBondContact N-OE2 2.92Å; S59-E62 WeakPolarHBondContact OG-CG 3.33Å; S59-E62 PolarHBondContact OG-N 3.18Å; S59-E62 PolarHBondContact OG-OE2 3.22Å; E62-A66 WeakPolarHBondContact O-CB 3.3Å; E62-A66 PolarHBondContact O-N 2.94Å
63M97.6Very high96.6Very high0 Ų032.8 Ų32.80%019%0.188CC..Hα-helixtrans-66.1-41.6176.2-177.1-85.5-56.900111.8F54 I58 S59 D61 L67 I112 L294F54-M63 HydrophobicContact CD2-CG 3.86Å; F54-M63 HydrophobicContact CE2-CB 4.49Å; F54-M63 HydrophobicContact CE2-CG 3.72Å; F54-M63 HydrophobicContact CG-CG 4.44Å; F54-M63 HydrophobicContact CZ-CG 4.2Å; I58-M63 HydrophobicContact CG2-CB 3.93Å; S59-M63 WeakPolarHBondContact O-CB 3.3Å; D61-M63 PolarHBondContact O-N 2.6Å; D61-M63 VanDerWaalsContact O-N 3.15Å; M63-L67 WeakPolarHBondContact O-CB 3.37Å; M63-L67 PolarHBondContact O-N 3.27Å; M63-L67 HydrophobicContact SD-CD2 4.26Å; M63-I112 HydrophobicContact CE-CD1 3.91Å; M63-I112 HydrophobicContact CE-CG1 3.84Å; M63-I112 HydrophobicContact SD-CD1 3.83Å; M63-I112 HydrophobicContact SD-CG1 4.15Å; M63-L294 HydrophobicContact SD-CD2 4.36Å
64Y98.3Very high96.4Very high3 Ų334.4 Ų34.41%0.01219%0.194CC..Hα-helixtrans-64.6-48.8175.1168.3-101.1000112.5Q60 D61 A66 L67 I68 L69 R115 A116 D119Q60-Y64 VanDerWaalsContact O-CB 3.25Å; Q60-Y64 WeakPolarHBondContact O-CB 3.37Å; Q60-Y64 PolarHBondContact O-N 2.93Å; Q60-Y64 VanDerWaalsContact O-N 3.1Å; D61-Y64 CarbonylContact O-C 3.45Å; D61-Y64 WeakPolarHBondContact O-CA 3.39Å; D61-Y64 WeakPolarHBondContact O-CB 3.21Å; D61-Y64 PolarHBondContact O-N 2.91Å; Y64-A66 PolarHBondContact O-N 3Å; Y64-L67 PolarHBondContact O-N 3.44Å; Y64-I68 HydrophobicContact CD2-CB 3.74Å; Y64-I68 HydrophobicContact CD2-CG1 4.41Å; Y64-I68 HydrophobicContact CD2-CG2 4.11Å; Y64-I68 HydrophobicContact CE2-CB 3.9Å; Y64-I68 HydrophobicContact CE2-CG2 3.84Å; Y64-I68 PolarHBondContact O-N 2.89Å; Y64-L69 HydrophobicContact CE1-CD1 3.83Å; Y64-L69 PolarHBondContact O-N 3.41Å; Y64-L69 WeakPolarHBondContact OH-CD1 3.36Å; Y64-R115 HydrophobicContact CD1-CB 3.75Å; Y64-R115 HydrophobicContact CD1-CG 4.33Å; Y64-R115 HydrophobicContact CD2-CB 3.7Å; Y64-R115 HydrophobicContact CE1-CB 3.74Å; Y64-R115 HydrophobicContact CE2-CB 3.72Å; Y64-R115 HydrophobicContact CG-CB 3.74Å; Y64-R115 HydrophobicContact CG-CG 4.33Å; Y64-R115 PolarHBondContact OH-O 3.46Å; Y64-A116 HydrophobicContact CE2-CB 3.99Å; Y64-A116 WeakPolarHBondContact OH-CA 3.49Å; Y64-D119 WeakPolarHBondContact CE1-OD2 3.3Å; Y64-D119 WeakPolarHBondContact OH-CB 3.47Å; Y64-D119 VanDerWaalsContact OH-CG 3.28Å; Y64-D119 PolarHBondContact OH-OD2 3.27Å
65Q97.1Very high96.3Very high86 Ų8633.8 Ų33.840%0.40219%0.191SC..Hα-helixtrans-56.1-50.9178.2-64.5-75.7-10.500111.1D61 L69D61-Q65 WeakPolarHBondContact O-CG 3.46Å; D61-Q65 PolarHBondContact O-N 3.41Å; D61-Q65 VanDerWaalsContact OD2-CG 3.26Å; D61-Q65 WeakPolarHBondContact OD2-CG 3.44Å; D61-Q65 PolarHBondContact OD2-NE2 2.9Å; D61-Q65 VanDerWaalsContact OD2-NE2 3.08Å; Q65-L69 WeakPolarHBondContact O-CB 3.46Å
66A95.5Very high96.1Very high30 Ų3032.8 Ų32.825%0.24818%0.184CC..Hα-helixtrans-72.8-38.9-178.600000113.3R10 F54 E62 Y64R10-A66 PolarHBondContact NH2-O 3.46Å; F54-A66 HydrophobicContact CE1-CB 4.25Å; F54-A66 HydrophobicContact CZ-CB 4.16Å; E62-A66 WeakPolarHBondContact O-CB 3.3Å; E62-A66 PolarHBondContact O-N 2.94Å; Y64-A66 PolarHBondContact O-N 3Å
67L96Very high95.9Very high0 Ų036.4 Ų36.40%020%0.197CC..Hα-helixtrans-94.3-48.8-170.5-169.360.3000113.7R10 A12 F54 M63 Y64 T292 L294R10-L67 PolarHBondContact NH1-O 3.42Å; A12-L67 HydrophobicContact CB-CD1 3.61Å; A12-L67 HydrophobicContact CB-CD2 3.63Å; A12-L67 HydrophobicContact CB-CG 4.26Å; F54-L67 HydrophobicContact CE2-CB 4.41Å; F54-L67 HydrophobicContact CE2-CD2 4.39Å; F54-L67 HydrophobicContact CZ-CB 4.39Å; M63-L67 WeakPolarHBondContact O-CB 3.37Å; M63-L67 PolarHBondContact O-N 3.27Å; M63-L67 HydrophobicContact SD-CD2 4.26Å; Y64-L67 PolarHBondContact O-N 3.44Å; L67-T292 HydrophobicContact CD1-CG2 3.51Å; L67-T292 HydrophobicContact CD2-CG2 4.07Å; L67-T292 HydrophobicContact CG-CG2 3.78Å; L67-L294 HydrophobicContact CD2-CD1 3.95Å
68I97.5Very high95.7Very high1 Ų132.3 Ų32.31%0.00518%0.178CC..THydrogen-bonded Turntrans-106.6-33.1-163.9-54.4-61.9000113.1Y64 P70 L71 V72 A83 I112 A116 M222Y64-I68 HydrophobicContact CD2-CB 3.74Å; Y64-I68 HydrophobicContact CD2-CG1 4.41Å; Y64-I68 HydrophobicContact CD2-CG2 4.11Å; Y64-I68 HydrophobicContact CE2-CB 3.9Å; Y64-I68 HydrophobicContact CE2-CG2 3.84Å; Y64-I68 PolarHBondContact O-N 2.89Å; I68-P70 VanDerWaalsContact C-CD 3.4Å; I68-P70 VanDerWaalsContact C-N 3.29Å; I68-L71 HydrophobicContact CD1-CD1 3.92Å; I68-L71 WeakPolarHBondContact O-CA 3.38Å; I68-L71 VanDerWaalsContact O-CB 3.23Å; I68-L71 WeakPolarHBondContact O-CB 3.49Å; I68-L71 PolarHBondContact O-N 2.98Å; I68-V72 PolarHBondContact O-N 3.46Å; I68-A83 HydrophobicContact CD1-CB 3.92Å; I68-I112 HydrophobicContact CB-CG2 4.31Å; I68-I112 HydrophobicContact CD1-CD1 4.19Å; I68-I112 HydrophobicContact CD1-CG2 4.34Å; I68-I112 HydrophobicContact CG1-CB 4.49Å; I68-I112 HydrophobicContact CG1-CD1 3.84Å; I68-I112 HydrophobicContact CG1-CG1 3.87Å; I68-I112 HydrophobicContact CG1-CG2 3.8Å; I68-I112 HydrophobicContact CG2-CG2 3.92Å; I68-A116 HydrophobicContact CG2-CB 4.45Å; I68-M222 HydrophobicContact CG2-SD 4.46Å
69L97Very high95.5Very high31 Ų3132.1 Ų32.116%0.16218%0.176CC..Hα-helixtrans-49.5-44.7177.7-16371.6000113.2Y64 Q65 L71 V72 D73 D119Y64-L69 HydrophobicContact CE1-CD1 3.83Å; Y64-L69 PolarHBondContact O-N 3.41Å; Y64-L69 WeakPolarHBondContact OH-CD1 3.36Å; Q65-L69 WeakPolarHBondContact O-CB 3.46Å; L69-L71 PolarHBondContact O-N 3.14Å; L69-L71 VanDerWaalsContact O-N 3.13Å; L69-V72 WeakPolarHBondContact O-CB 3.45Å; L69-V72 PolarHBondContact O-N 3Å; L69-D73 PolarHBondContact O-N 2.94Å; L69-D119 HydrophobicContact CD1-CB 4.36Å; L69-D119 VanDerWaalsContact CD1-OD1 3.23Å; L69-D119 WeakPolarHBondContact CD1-OD1 3.34Å; L69-D119 WeakPolarHBondContact CD1-OD2 3.49Å
70P95.6Very high95.4Very high34 Ų3431.2 Ų31.222%0.22117%0.166CC..Hα-helixtrans-68.3-13.5178.3-17.532.9000114.1L6 I68 K74L6-P70 HydrophobicContact CD1-CB 3.81Å; L6-P70 HydrophobicContact CD2-CB 3.8Å; L6-P70 HydrophobicContact CG-CB 4.42Å; I68-P70 VanDerWaalsContact C-CD 3.4Å; I68-P70 VanDerWaalsContact C-N 3.29Å; P70-K74 WeakPolarHBondContact O-CG 3.35Å
71L95.7Very high95.3Very high3 Ų331.1 Ų31.12%0.01617%0.166CC..Hα-helixtrans-82.9-27.2170.5-54177.3000111.8I68 L69 D73 K74 L75 C81 M222I68-L71 HydrophobicContact CD1-CD1 3.92Å; I68-L71 WeakPolarHBondContact O-CA 3.38Å; I68-L71 VanDerWaalsContact O-CB 3.23Å; I68-L71 WeakPolarHBondContact O-CB 3.49Å; I68-L71 PolarHBondContact O-N 2.98Å; L69-L71 PolarHBondContact O-N 3.14Å; L69-L71 VanDerWaalsContact O-N 3.13Å; L71-D73 VanDerWaalsContact C-N 3.35Å; L71-K74 PolarHBondContact O-N 2.99Å; L71-L75 WeakPolarHBondContact O-CB 3.45Å; L71-L75 PolarHBondContact O-N 2.84Å; L71-C81 HydrophobicContact CB-CB 4.4Å; L71-C81 PolarHBondContact O-SG 3.33Å; L71-C81 VanDerWaalsContact O-SG 3.36Å; L71-M222 HydrophobicContact CB-CE 3.75Å
72V96.7Very high95.3Very high0 Ų028.5 Ų28.50%015%0.152CC..Hα-helixtrans-66.2-41.1174.3-178.80000110I68 L69 K74 L75 L76 A116 D119 I120 M222I68-V72 PolarHBondContact O-N 3.46Å; L69-V72 WeakPolarHBondContact O-CB 3.45Å; L69-V72 PolarHBondContact O-N 3Å; V72-K74 VanDerWaalsContact C-N 3.33Å; V72-K74 PolarHBondContact O-N 3.4Å; V72-L75 WeakPolarHBondContact O-CB 3.35Å; V72-L75 PolarHBondContact O-N 2.68Å; V72-L76 HydrophobicContact CG1-CD1 4.01Å; V72-L76 HydrophobicContact CG1-CG 4.44Å; V72-L76 WeakPolarHBondContact O-CG 3.48Å; V72-L76 PolarHBondContact O-N 3.12Å; V72-A116 HydrophobicContact CG2-CB 4.47Å; V72-D119 HydrophobicContact CG1-CB 4.12Å; V72-D119 HydrophobicContact CG2-CB 4.46Å; V72-I120 HydrophobicContact CG1-CG1 3.69Å; V72-M222 HydrophobicContact CG2-CE 3.93Å
73D94.1Very high95.3Very high66 Ų6623.8 Ų23.835%0.35313%0.13SC..Hα-helixtrans-55.4-47.1169.7-74.2-66.2000112.1L69 L71 L75 L76 E77 R123L69-D73 PolarHBondContact O-N 2.94Å; L71-D73 VanDerWaalsContact C-N 3.35Å; D73-L75 PolarHBondContact O-N 3.11Å; D73-L76 CarbonylContact O-C 3.56Å; D73-L76 PolarHBondContact O-N 3.4Å; D73-E77 WeakPolarHBondContact O-CG 3.31Å; D73-E77 PolarHBondContact O-N 3.18Å; D73-R123 IonicContact OD1-NH1 3.96Å; D73-R123 PolarHBondContact OD1-NH1 3.18Å; D73-R123 IonicContact OD2-CZ 3.71Å; D73-R123 IonicContact OD2-NH1 2.67Å; D73-R123 PolarHBondContact OD2-NH1 2.95Å
74K93.8Very high95.2Very high37 Ų3723.8 Ų23.816%0.16113%0.13CC..Hα-helixtrans-68.7-32.2178.9-61-45.7179.5-164.90113.6L6 P70 L71 V72 L76 E77 G78 F79 Y290L6-K74 HydrophobicContact CD1-CG 4.23Å; P70-K74 WeakPolarHBondContact O-CG 3.35Å; L71-K74 PolarHBondContact O-N 2.99Å; V72-K74 VanDerWaalsContact C-N 3.33Å; V72-K74 PolarHBondContact O-N 3.4Å; K74-L76 VanDerWaalsContact C-N 3.34Å; K74-E77 VanDerWaalsContact CD-OE2 3.22Å; K74-E77 WeakPolarHBondContact CD-OE2 3.47Å; K74-E77 IonicContact NZ-OE1 2.65Å; K74-E77 PolarHBondContact NZ-OE1 3.32Å; K74-E77 IonicContact NZ-OE2 3.68Å; K74-E77 PolarHBondContact NZ-OE2 2.73Å; K74-E77 PolarHBondContact O-N 2.87Å; K74-G78 PolarHBondContact O-N 3.21Å; K74-F79 HydrophobicContact CB-CB 4.29Å; K74-F79 HydrophobicContact CB-CD2 4.26Å; K74-F79 HydrophobicContact CD-CD2 4.25Å; K74-F79 HydrophobicContact CD-CE2 4.46Å; K74-F79 WeakPolarHBondContact O-CB 3.47Å; K74-F79 WeakPolarHBondContact O-CD2 3.42Å; K74-F79 PolarHBondContact O-N 3.22Å; K74-Y290 HydrophobicContact CB-CD2 3.81Å; K74-Y290 HydrophobicContact CB-CE2 3.84Å; K74-Y290 HydrophobicContact CB-CG 4.49Å; K74-Y290 HydrophobicContact CD-CE2 4.11Å; K74-Y290 HydrophobicContact CG-CD2 3.99Å; K74-Y290 HydrophobicContact CG-CE1 4.38Å; K74-Y290 HydrophobicContact CG-CE2 3.66Å; K74-Y290 HydrophobicContact CG-CG 4.48Å
75L95.1Very high95.1Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-61-44.4170.2-177.171.5000111.5L71 V72 D73 G78 I120 V213 S220 R221 M222L71-L75 WeakPolarHBondContact O-CB 3.45Å; L71-L75 PolarHBondContact O-N 2.84Å; V72-L75 WeakPolarHBondContact O-CB 3.35Å; V72-L75 PolarHBondContact O-N 2.68Å; D73-L75 PolarHBondContact O-N 3.11Å; L75-G78 WeakPolarHBondContact O-CA 3.39Å; L75-G78 PolarHBondContact O-N 2.96Å; L75-I120 HydrophobicContact CD2-CD1 3.39Å; L75-I120 HydrophobicContact CD2-CG1 3.87Å; L75-V213 HydrophobicContact CD2-CG2 3.79Å; L75-V213 HydrophobicContact CG-CG2 4.14Å; L75-S220 VanDerWaalsContact O-CB 3.27Å; L75-S220 WeakPolarHBondContact O-CB 3.49Å; L75-S220 PolarHBondContact O-OG 3.12Å; L75-R221 VanDerWaalsContact CD1-N 3.34Å; L75-M222 HydrophobicContact CB-CE 4.34Å; L75-M222 HydrophobicContact CD1-CB 3.92Å; L75-M222 HydrophobicContact CD2-CB 3.82Å; L75-M222 HydrophobicContact CD2-CE 4.36Å; L75-M222 HydrophobicContact CG-CB 4.42Å
76L92.9Very high94.9Very high14 Ų1419.7 Ų19.77%0.07311%0.111CC..Hα-helixtrans-81.3-15.4-178.3-62.2175.5000113.3V72 D73 K74 R123 V124 R127 V213V72-L76 HydrophobicContact CG1-CD1 4.01Å; V72-L76 HydrophobicContact CG1-CG 4.44Å; V72-L76 WeakPolarHBondContact O-CG 3.48Å; V72-L76 PolarHBondContact O-N 3.12Å; D73-L76 CarbonylContact O-C 3.56Å; D73-L76 PolarHBondContact O-N 3.4Å; K74-L76 VanDerWaalsContact C-N 3.34Å; L76-R123 HydrophobicContact CD1-CB 3.48Å; L76-R123 VanDerWaalsContact CD1-CB 3.48Å; L76-R123 HydrophobicContact CD1-CG 4.24Å; L76-V124 HydrophobicContact CD2-CG2 3.98Å; L76-R127 PolarHBondContact O-NH1 3.29Å; L76-R127 PolarHBondContact O-NH2 3.05Å; L76-V213 HydrophobicContact CD2-CG1 4.28Å
77E90.3Very high94.7Very high101 Ų10118.2 Ų18.247%0.47210%0.099SC..THydrogen-bonded Turntrans-76.8-8.3161-75.8172-142.700112.9D73 K74 F79D73-E77 WeakPolarHBondContact O-CG 3.31Å; D73-E77 PolarHBondContact O-N 3.18Å; K74-E77 VanDerWaalsContact CD-OE2 3.22Å; K74-E77 WeakPolarHBondContact CD-OE2 3.47Å; K74-E77 IonicContact NZ-OE1 2.65Å; K74-E77 PolarHBondContact NZ-OE1 3.32Å; K74-E77 IonicContact NZ-OE2 3.68Å; K74-E77 PolarHBondContact NZ-OE2 2.73Å; K74-E77 PolarHBondContact O-N 2.87Å; E77-F79 HydrophobicContact CB-CD2 3.77Å; E77-F79 HydrophobicContact CB-CE2 3.88Å; E77-F79 WeakPolarHBondContact OE2-CE2 3.39Å
78G90.9Very high94.3Very high31 Ų3118.8 Ų18.832%0.3210%0.102SC..THydrogen-bonded Turntrans96.65.417700000115.6K74 L75K74-G78 PolarHBondContact O-N 3.21Å; L75-G78 WeakPolarHBondContact O-CA 3.39Å; L75-G78 PolarHBondContact O-N 2.96Å
79F92.7Very high93.8Very high31 Ų3121.4 Ų21.414%0.13612%0.118CC..  trans-76.2159.1174.2-62.6-88.7000111.8K74 E77 S220 Y290 P324K74-F79 HydrophobicContact CB-CB 4.29Å; K74-F79 HydrophobicContact CB-CD2 4.26Å; K74-F79 HydrophobicContact CD-CD2 4.25Å; K74-F79 HydrophobicContact CD-CE2 4.46Å; K74-F79 WeakPolarHBondContact O-CB 3.47Å; K74-F79 WeakPolarHBondContact O-CD2 3.42Å; K74-F79 PolarHBondContact O-N 3.22Å; E77-F79 HydrophobicContact CB-CD2 3.77Å; E77-F79 HydrophobicContact CB-CE2 3.88Å; E77-F79 WeakPolarHBondContact OE2-CE2 3.39Å; F79-S220 WeakPolarHBondContact O-CB 3.3Å; F79-Y290 HydrophobicContact CB-CD2 3.96Å; F79-Y290 HydrophobicContact CB-CE2 4.03Å; F79-Y290 AromaticContact CD1-CE2 3.93Å; F79-Y290 HydrophobicContact CD1-CE2 3.93Å; F79-Y290 HydrophobicContact CD2-CE2 4.15Å; F79-Y290 HydrophobicContact CE1-CE2 4.44Å; F79-Y290 HydrophobicContact CG-CD2 4.23Å; F79-Y290 AromaticContact CG-CE2 3.78Å; F79-Y290 HydrophobicContact CG-CE2 3.78Å; F79-P324 HydrophobicContact CD1-CB 4.23Å; F79-P324 HydrophobicContact CE1-CB 4.07Å
80Q94.6Very high93.3Very high28 Ų2822 Ų2213%0.13113%0.131CC..EExtended strand (participates in β ladder)trans-87.6133.8172.2-49.6-64.4-45.400109.1H219 R221 S284 S289 Y290Q80-H219 PolarHBondContact NE2-O 3.07Å; Q80-R221 VanDerWaalsContact OE1-CB 3.31Å; Q80-R221 VanDerWaalsContact OE1-CG 3.31Å; Q80-S284 PolarHBondContact OE1-OG 2.87Å; Q80-S289 CarbonylContact O-C 3.57Å; Q80-S289 VanDerWaalsContact O-CA 3.23Å; Q80-S289 WeakPolarHBondContact O-CA 3.14Å; Q80-Y290 PolarHBondContact O-N 3.34Å
81C96.1Very high93.1Very high0 Ų020.6 Ų20.60%012%0.122CC..EExtended strand (participates in β ladder)trans-123.1141.4-177.8-63.20000110.6L71 R221 M222 N223 Y290L71-C81 HydrophobicContact CB-CB 4.4Å; L71-C81 PolarHBondContact O-SG 3.33Å; L71-C81 VanDerWaalsContact O-SG 3.36Å; C81-R221 PolarHBondContact N-O 3.46Å; C81-R221 VanDerWaalsContact O-O 3.13Å; C81-M222 HydrophobicContact CB-CB 4.41Å; C81-M222 HydrophobicContact CB-CE 4.14Å; C81-M222 HydrophobicContact CB-CG 4.43Å; C81-M222 WeakPolarHBondContact O-CA 3.48Å; C81-N223 PolarHBondContact O-N 2.99Å; C81-N223 PolarHBondContact O-ND2 3.26Å; C81-Y290 CarbonylContact C-O 3.47Å; C81-Y290 WeakPolarHBondContact CA-O 3.32Å
82T96.4Very high92.9Very high1 Ų121.6 Ų21.61%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-141.7122.8179-600000109.7L84 N223 L281 Y290 L291 T292T82-L84 HydrophobicContact CG2-CD1 4.12Å; T82-L84 HydrophobicContact CG2-CG 4.02Å; T82-N223 WeakPolarHBondContact CA-O 3.33Å; T82-N223 HydrophobicContact CG2-CB 4.23Å; T82-N223 PolarHBondContact OG1-ND2 3.47Å; T82-N223 VanDerWaalsContact OG1-ND2 3.12Å; T82-L281 HydrophobicContact CG2-CD1 4.38Å; T82-Y290 PolarHBondContact N-O 2.65Å; T82-L291 HydrophobicContact CG2-CD1 3.77Å; T82-T292 PolarHBondContact O-N 3.44Å
83A97.2Very high92.8Very high2 Ų222.1 Ų22.12%0.01714%0.135CC..EExtended strand (participates in β ladder)trans-112.8124.2173.700000109.7I68 N223 I224 V225 T292I68-A83 HydrophobicContact CD1-CB 3.92Å; A83-N223 PolarHBondContact N-O 3.17Å; A83-I224 HydrophobicContact CB-CD1 4.06Å; A83-V225 WeakPolarHBondContact O-CB 3.37Å; A83-V225 PolarHBondContact O-N 2.9Å; A83-T292 CarbonylContact C-O 3.58Å; A83-T292 WeakPolarHBondContact CA-O 3.3Å
84L95.7Very high92.8Very high0 Ų021.4 Ų21.40%014%0.135CC..EExtended strand (participates in β ladder)trans-120.2110.1-173.9-72.7152.4000110.7T82 V225 L227 I256 L281 L291 T292 F293 L294T82-L84 HydrophobicContact CG2-CD1 4.12Å; T82-L84 HydrophobicContact CG2-CG 4.02Å; L84-V225 HydrophobicContact CD2-CB 3.67Å; L84-V225 HydrophobicContact CD2-CG1 3.59Å; L84-V225 HydrophobicContact CD2-CG2 4.14Å; L84-V225 HydrophobicContact CG-CB 4.34Å; L84-L227 HydrophobicContact CD2-CD1 4.1Å; L84-L227 HydrophobicContact CD2-CD2 4.04Å; L84-L227 HydrophobicContact CD2-CG 4.21Å; L84-I256 HydrophobicContact CD1-CD1 4.02Å; L84-I256 HydrophobicContact CD2-CD1 4.07Å; L84-L281 HydrophobicContact CD2-CD1 4.36Å; L84-L291 HydrophobicContact CD1-CD1 3.57Å; L84-T292 PolarHBondContact N-O 3.1Å; L84-F293 HydrophobicContact CB-CD1 4.14Å; L84-F293 HydrophobicContact CD1-CD1 4.03Å; L84-F293 HydrophobicContact CD1-CE1 3.76Å; L84-F293 HydrophobicContact CD1-CZ 4.19Å; L84-F293 CarbonylContact O-C 3.58Å; L84-F293 WeakPolarHBondContact O-CA 3.47Å; L84-L294 PolarHBondContact O-N 2.78Å
85A95.7Very high92.8Very high0 Ų024.2 Ų24.20%015%0.146CC..EExtended strand (participates in β ladder)trans-79.4131164.200000110.4K93 M97 V225 L227 L294A85-K93 HydrophobicContact CB-CB 3.78Å; A85-K93 HydrophobicContact CB-CD 4.42Å; A85-K93 HydrophobicContact CB-CG 4.14Å; A85-M97 HydrophobicContact CB-CE 3.73Å; A85-M97 HydrophobicContact CB-CG 3.51Å; A85-M97 HydrophobicContact CB-SD 4.2Å; A85-V225 PolarHBondContact N-O 2.89Å; A85-L227 VanDerWaalsContact O-CB 3.29Å; A85-L227 WeakPolarHBondContact O-CB 3.24Å; A85-L227 WeakPolarHBondContact O-CG 3.41Å; A85-L227 PolarHBondContact O-N 3.37Å; A85-L227 VanDerWaalsContact O-N 3.16Å; A85-L294 WeakPolarHBondContact CA-O 3.37Å
86Y93.7Very high92.9Very high3 Ų324.3 Ų24.31%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-144.4167.6177.882.5-75.7000111.7K93 L253 F293 L294 A295 C296 T310 F313 G314Y86-K93 VanDerWaalsContact C-CD 3.49Å; Y86-L253 HydrophobicContact CD2-CD1 4.29Å; Y86-L253 HydrophobicContact CD2-CD2 4.39Å; Y86-L253 HydrophobicContact CG-CD2 4.31Å; Y86-F293 HydrophobicContact CD1-CB 4.27Å; Y86-F293 HydrophobicContact CD1-CD1 4.3Å; Y86-F293 HydrophobicContact CE1-CB 3.9Å; Y86-F293 HydrophobicContact CE1-CD1 4.36Å; Y86-L294 WeakPolarHBondContact CD1-O 3.39Å; Y86-L294 PolarHBondContact N-O 3.04Å; Y86-A295 HydrophobicContact CD1-CB 4.37Å; Y86-A295 VanDerWaalsContact CE1-CA 3.46Å; Y86-A295 HydrophobicContact CE1-CB 3.5Å; Y86-A295 VanDerWaalsContact CE1-CB 3.5Å; Y86-A295 HydrophobicContact CE2-CB 4.44Å; Y86-A295 WeakPolarHBondContact OH-CB 3.39Å; Y86-C296 PolarHBondContact O-N 3.48Å; Y86-T310 HydrophobicContact CD2-CG2 4.06Å; Y86-T310 HydrophobicContact CE2-CG2 3.59Å; Y86-T310 PolarHBondContact OH-O 2.75Å; Y86-F313 HydrophobicContact CD2-CD1 4.05Å; Y86-F313 HydrophobicContact CD2-CE1 4.45Å; Y86-F313 HydrophobicContact CE2-CB 4.14Å; Y86-F313 AromaticContact CE2-CD1 3.37Å; Y86-F313 HydrophobicContact CE2-CD1 3.37Å; Y86-F313 HydrophobicContact CE2-CE1 4.12Å; Y86-F313 HydrophobicContact CE2-CG 4.03Å; Y86-F313 AromaticContact CZ-CD1 3.69Å; Y86-G314 WeakPolarHBondContact OH-CA 3.5Å; Y86-G314 PolarHBondContact OH-N 3.34Å
87G91.7Very high93.1Very high0 Ų023.7 Ų23.70%014%0.143CC..SBendtrans115.6-173.1-170.500000112.5K93 S230G87-K93 WeakPolarHBondContact O-CE 3.24Å; G87-K93 PolarHBondContact O-NZ 3.29Å; G87-S230 VanDerWaalsContact CA-OG 3.3Å; G87-S230 WeakPolarHBondContact CA-OG 3.42Å; G87-S230 PolarHBondContact O-N 2.87Å; G87-S230 VanDerWaalsContact O-N 3.09Å; G87-S230 PolarHBondContact O-OG 3.22Å
88Q87.6Confident93.3Very high11 Ų1119 Ų195%0.05112%0.122CC..SBendtrans-67155.1-171.4175.5160.685.700114.4G90 T91 K93 E231 D303 E306Q88-G90 PolarHBondContact O-N 2.8Å; Q88-T91 HydrophobicContact CB-CG2 4Å; Q88-T91 PolarHBondContact O-OG1 3.41Å; Q88-K93 VanDerWaalsContact C-NZ 3.28Å; Q88-K93 PolarHBondContact O-NZ 2.84Å; Q88-E231 VanDerWaalsContact CA-OE2 3.28Å; Q88-E231 WeakPolarHBondContact CA-OE2 3.47Å; Q88-E231 HydrophobicContact CG-CB 4.25Å; Q88-D303 PolarHBondContact OE1-OD1 3.06Å; Q88-E306 VanDerWaalsContact NE2-CG 3.3Å
89T86.2Confident93.3Very high57 Ų5718.1 Ų18.135%0.3511%0.11SC..THydrogen-bonded Turntrans-57.6131.6169.2-66.70000111G229 E231T89-G229 WeakPolarHBondContact OG1-CA 3.31Å; T89-E231 WeakPolarHBondContact CB-OE1 3.49Å; T89-E231 PolarHBondContact N-OE2 3.4Å; T89-E231 PolarHBondContact OG1-OE1 2.86Å; T89-E231 PolarHBondContact OG1-OE2 2.81Å
90G86Confident93.1Very high42 Ų4219.3 Ų19.343%0.43312%0.119SC..THydrogen-bonded Turntrans89.4-2.2176.400000116.1R19 Q88 G92R19-G90 PolarHBondContact NH2-O 3.42Å; Q88-G90 PolarHBondContact O-N 2.8Å; G90-G92 PolarHBondContact O-N 3.5Å
91T92Very high92.6Very high6 Ų618.1 Ų18.14%0.03711%0.114CC..SBendtrans-81.28.2174.161.60000114.2Q88 C296Q88-T91 HydrophobicContact CB-CG2 4Å; Q88-T91 PolarHBondContact O-OG1 3.41Å; T91-C296 WeakPolarHBondContact CB-O 3.28Å; T91-C296 WeakPolarHBondContact O-CB 3.48Å; T91-C296 WeakPolarHBondContact OG1-CB 3.41Å; T91-C296 PolarHBondContact OG1-O 3.14Å
92G92.5Very high91.8Very high23 Ų2319.8 Ų19.824%0.23713%0.125CC..SBendtrans89.722.3173.200000116.3G90 Y95 S96G90-G92 PolarHBondContact O-N 3.5Å; G92-Y95 PolarHBondContact O-N 2.86Å; G92-S96 WeakPolarHBondContact O-CB 3.38Å; G92-S96 PolarHBondContact O-N 3.07Å; G92-S96 PolarHBondContact O-OG 3.22Å
93K94.4Very high91Very high12 Ų1222.7 Ų22.75%0.05216%0.155CC..Hα-helixtrans-54.1-62.2175.1-61.4-167-61.4-78.30113A85 Y86 G87 Q88 Y95 S96 M97 D226 L227 C296A85-K93 HydrophobicContact CB-CB 3.78Å; A85-K93 HydrophobicContact CB-CD 4.42Å; A85-K93 HydrophobicContact CB-CG 4.14Å; Y86-K93 VanDerWaalsContact C-CD 3.49Å; G87-K93 WeakPolarHBondContact O-CE 3.24Å; G87-K93 PolarHBondContact O-NZ 3.29Å; Q88-K93 VanDerWaalsContact C-NZ 3.28Å; Q88-K93 PolarHBondContact O-NZ 2.84Å; K93-Y95 VanDerWaalsContact C-N 3.28Å; K93-Y95 PolarHBondContact O-N 3.33Å; K93-S96 PolarHBondContact O-N 3.39Å; K93-S96 VanDerWaalsContact O-N 3.12Å; K93-M97 PolarHBondContact O-N 2.95Å; K93-D226 WeakPolarHBondContact CB-OD1 3.12Å; K93-L227 WeakPolarHBondContact CE-O 3.11Å; K93-C296 HydrophobicContact CG-CB 3.77Å
94S93.1Very high90.3Very high51 Ų5128.4 Ų28.436%0.35718%0.182SC..Hα-helixtrans-61-34.1-179.7-37.70000113.3G98 M99 D226S94-G98 PolarHBondContact O-N 3.19Å; S94-M99 PolarHBondContact O-N 3.06Å; S94-D226 WeakPolarHBondContact CA-OD2 3.25Å; S94-D226 WeakPolarHBondContact CB-OD2 3.2Å; S94-D226 PolarHBondContact N-OD1 3.03Å; S94-D226 VanDerWaalsContact N-OD1 3.11Å; S94-D226 VanDerWaalsContact OG-CG 3.3Å; S94-D226 PolarHBondContact OG-OD1 2.91Å; S94-D226 PolarHBondContact OG-OD2 3.11Å
95Y94.5Very high90Very high96 Ų9631 Ų3138%0.37620%0.195SC..Hα-helixtrans-65.8-48.6173.7168.5-103.7000111.5Q60 G92 K93 M97 G98 H109Q60-Y95 HydrophobicContact CG-CE1 4.29Å; Q60-Y95 PolarHBondContact NE2-O 2.64Å; G92-Y95 PolarHBondContact O-N 2.86Å; K93-Y95 VanDerWaalsContact C-N 3.28Å; K93-Y95 PolarHBondContact O-N 3.33Å; Y95-M97 PolarHBondContact O-N 2.87Å; Y95-G98 PolarHBondContact O-N 3.47Å; Y95-H109 HydrophobicContact CE2-CB 4.15Å; Y95-H109 AromaticContact CE2-ND1 3.89Å; Y95-H109 AromaticContact CZ-ND1 3.88Å; Y95-H109 PolarHBondContact OH-ND1 3.07Å
96S97Very high89.8Confident1 Ų135.9 Ų35.91%0.00722%0.221CC..Hα-helixtrans-64.5-41.8178.2-550000111.2R14 G92 K93 G98 I112R14-S96 PolarHBondContact NH1-OG 3.07Å; G92-S96 WeakPolarHBondContact O-CB 3.38Å; G92-S96 PolarHBondContact O-N 3.07Å; G92-S96 PolarHBondContact O-OG 3.22Å; K93-S96 PolarHBondContact O-N 3.39Å; K93-S96 VanDerWaalsContact O-N 3.12Å; S96-G98 VanDerWaalsContact C-N 3.31Å; S96-G98 PolarHBondContact O-N 3.03Å; S96-I112 WeakPolarHBondContact O-CB 3.4Å; S96-I112 WeakPolarHBondContact O-CD1 3.19Å; S96-I112 WeakPolarHBondContact O-CG1 3.38Å; S96-I112 PolarHBondContact O-N 3.11Å
97M96.5Very high89.7Confident1 Ų140.1 Ų40.11%0.00525%0.248CC..Hα-helixtrans-71.7-21.1178.6-70-66.5133.100113.6A85 K93 Y95 M99 I112 L113 I224 D226 L294A85-M97 HydrophobicContact CB-CE 3.73Å; A85-M97 HydrophobicContact CB-CG 3.51Å; A85-M97 HydrophobicContact CB-SD 4.2Å; K93-M97 PolarHBondContact O-N 2.95Å; Y95-M97 PolarHBondContact O-N 2.87Å; M97-M99 HydrophobicContact CB-CG 3.92Å; M97-M99 HydrophobicContact CB-SD 4.04Å; M97-I112 HydrophobicContact CE-CD1 3.5Å; M97-I112 HydrophobicContact SD-CD1 4.13Å; M97-L113 WeakPolarHBondContact O-CB 3.35Å; M97-L113 PolarHBondContact O-N 3.01Å; M97-I224 HydrophobicContact CB-CG2 3.97Å; M97-I224 HydrophobicContact CG-CG2 4.27Å; M97-I224 HydrophobicContact SD-CG2 3.53Å; M97-I224 VanDerWaalsContact SD-CG2 3.53Å; M97-D226 HydrophobicContact CB-CB 4.42Å; M97-D226 HydrophobicContact CG-CB 4.4Å; M97-L294 HydrophobicContact CE-CB 4.05Å; M97-L294 HydrophobicContact CE-CD2 3.76Å
98G94.1Very high89.7Confident3 Ų345.1 Ų45.13%0.03127%0.272CS..THydrogen-bonded Turntrans77.943.5-18000000113.4S94 Y95 S96S94-G98 PolarHBondContact O-N 3.19Å; Y95-G98 PolarHBondContact O-N 3.47Å; S96-G98 VanDerWaalsContact C-N 3.31Å; S96-G98 PolarHBondContact O-N 3.03Å
99M91.2Very high90.1Very high13 Ų1348.5 Ų48.56%0.06429%0.287CS..  trans-84-6.3-175-56.2-58.4-60.300114.6S94 M97 F141 A207 V209 D226S94-M99 PolarHBondContact O-N 3.06Å; M97-M99 HydrophobicContact CB-CG 3.92Å; M97-M99 HydrophobicContact CB-SD 4.04Å; M99-F141 HydrophobicContact CE-CE2 4.04Å; M99-F141 HydrophobicContact CE-CZ 4Å; M99-A207 HydrophobicContact CE-CB 3.73Å; M99-V209 HydrophobicContact CE-CG2 3.88Å; M99-D226 HydrophobicContact CG-CB 3.76Å; M99-D226 HydrophobicContact SD-CB 4.13Å
100T88.5Confident90.5Very high55 Ų5547.6 Ų47.634%0.33728%0.28SS..SBendtrans-85.8142.9174.3-550000109.8E104 I105T100-E104 HydrophobicContact CG2-CB 4.11Å; T100-I105 HydrophobicContact CG2-CG2 4.13Å
101P85.6Confident91Very high4 Ų445.6 Ų45.63%0.02626%0.26CS..  trans-53.3130.3174-27.536.9000112.2G103 E104 L184 E185P101-G103 PolarHBondContact O-N 3.27Å; P101-E104 HydrophobicContact CB-CG 4.35Å; P101-E104 WeakPolarHBondContact CG-OE1 3.23Å; P101-E104 PolarHBondContact O-N 3.4Å; P101-E104 VanDerWaalsContact O-N 3.07Å; P101-L184 HydrophobicContact CG-CB 4.36Å; P101-E185 HydrophobicContact CG-CB 4.3Å
102P79.3Confident91.2Very high34 Ų3445.3 Ų45.322%0.22126%0.258CS..G310 helixtrans-58-22.2-174.8-31.737.9000116.1E104 L110 P114 L180P102-E104 VanDerWaalsContact C-N 3.3Å; P102-L110 HydrophobicContact CB-CD2 3.76Å; P102-L110 HydrophobicContact CG-CD2 4.44Å; P102-P114 HydrophobicContact CG-CB 4.18Å; P102-L180 HydrophobicContact CG-CD2 4.42Å
103G79.5Confident91.5Very high63 Ų6344.2 Ų44.265%0.64925%0.247SC*.G310 helixtrans-78.2-11.5179.200000114.3P101 H181P101-G103 PolarHBondContact O-N 3.27Å; G103-H181 PolarHBondContact N-CD2 3.44Å
104E82.5Confident91.6Very high122 Ų12244.4 Ų44.457%0.5725%0.249SC*.G310 helixtrans-91.5-2.9178.2-62.6177.6-156.600112.9T100 P101 P102T100-E104 HydrophobicContact CG2-CB 4.11Å; P101-E104 HydrophobicContact CB-CG 4.35Å; P101-E104 WeakPolarHBondContact CG-OE1 3.23Å; P101-E104 PolarHBondContact O-N 3.4Å; P101-E104 VanDerWaalsContact O-N 3.07Å; P102-E104 VanDerWaalsContact C-N 3.3Å
105I88.6Confident91.8Very high55 Ų5544.2 Ų44.228%0.28224%0.24SC..SBendtrans-140.1147.4-16853.2177.4000113.1T100 L110T100-I105 HydrophobicContact CG2-CG2 4.13Å; I105-L110 HydrophobicContact CD1-CD2 3.87Å; I105-L110 HydrophobicContact CG1-CD2 3.94Å
106L91.8Very high91.9Very high102 Ų10239.7 Ų39.753%0.53422%0.223SC..  trans-70151.4179.2-57.1174.2000111.8E108 H109 L110L106-E108 VanDerWaalsContact C-N 3.3Å; L106-E108 VanDerWaalsContact CB-CD 3.5Å; L106-E108 WeakPolarHBondContact CB-OE1 3.33Å; L106-E108 WeakPolarHBondContact CB-OE2 3.37Å; L106-E108 VanDerWaalsContact CD1-OE1 3.32Å; L106-E108 WeakPolarHBondContact CD1-OE1 3.49Å; L106-E108 PolarHBondContact O-N 3.31Å; L106-H109 WeakPolarHBondContact O-CA 3.24Å; L106-H109 WeakPolarHBondContact O-CB 3.32Å; L106-H109 PolarHBondContact O-N 3.39Å; L106-L110 PolarHBondContact O-N 3.09Å
107P91.3Very high91.9Very high91 Ų9139.6 Ų39.659%0.59122%0.222SC*.G310 helixtrans-55.6-35.9-174-28.336.8000115.5H109 L110 R115P107-H109 PolarHBondContact O-N 3.02Å; P107-L110 HydrophobicContact CB-CD1 4.4Å; P107-L110 WeakPolarHBondContact O-CB 3.42Å; P107-L110 PolarHBondContact O-N 3.48Å; P107-R115 PolarHBondContact O-NH2 2.98Å
108E92.6Very high91.9Very high105 Ų10540.3 Ų40.349%0.49123%0.23SC..G310 helixtrans-67.3-23.7175.765.7-84.2-161.400113.1Q60 L106Q60-E108 WeakPolarHBondContact CG-O 3.41Å; L106-E108 VanDerWaalsContact C-N 3.3Å; L106-E108 VanDerWaalsContact CB-CD 3.5Å; L106-E108 WeakPolarHBondContact CB-OE1 3.33Å; L106-E108 WeakPolarHBondContact CB-OE2 3.37Å; L106-E108 VanDerWaalsContact CD1-OE1 3.32Å; L106-E108 WeakPolarHBondContact CD1-OE1 3.49Å; L106-E108 PolarHBondContact O-N 3.31Å
109H94.1Very high92Very high83 Ų8341.4 Ų41.438%0.38424%0.235SC..G310 helixtrans-94.4-8.4178.5-70.9-50.3000113.8Q60 Y95 L106 P107 G111Q60-H109 PolarHBondContact NE2-O 3.29Å; Y95-H109 HydrophobicContact CE2-CB 4.15Å; Y95-H109 AromaticContact CE2-ND1 3.89Å; Y95-H109 AromaticContact CZ-ND1 3.88Å; Y95-H109 PolarHBondContact OH-ND1 3.07Å; L106-H109 WeakPolarHBondContact O-CA 3.24Å; L106-H109 WeakPolarHBondContact O-CB 3.32Å; L106-H109 PolarHBondContact O-N 3.39Å; P107-H109 PolarHBondContact O-N 3.02Å; H109-G111 PolarHBondContact O-N 3.25Å
110L95.1Very high92.3Very high38 Ų3840.8 Ų40.820%0.19923%0.232CC..  trans-54.9121.9171.8-67.7171.9000110.8Q60 P102 I105 L106 P107 P114 R115Q60-L110 WeakPolarHBondContact CB-O 3.21Å; P102-L110 HydrophobicContact CB-CD2 3.76Å; P102-L110 HydrophobicContact CG-CD2 4.44Å; I105-L110 HydrophobicContact CD1-CD2 3.87Å; I105-L110 HydrophobicContact CG1-CD2 3.94Å; L106-L110 PolarHBondContact O-N 3.09Å; P107-L110 HydrophobicContact CB-CD1 4.4Å; P107-L110 WeakPolarHBondContact O-CB 3.42Å; P107-L110 PolarHBondContact O-N 3.48Å; L110-P114 HydrophobicContact CB-CG 4.02Å; L110-P114 HydrophobicContact CD2-CB 4.34Å; L110-P114 HydrophobicContact CD2-CG 4.01Å; L110-R115 PolarHBondContact O-NE 3.04Å; L110-R115 PolarHBondContact O-NH2 3.07Å
111G96.3Very high92.6Very high0 Ų039.7 Ų39.70%022%0.222CC..  trans-81.7-165.2179.700000114.2Q60 H109 L113 P114Q60-G111 VanDerWaalsContact NE2-CA 3.32Å; H109-G111 PolarHBondContact O-N 3.25Å; G111-L113 PolarHBondContact O-N 3.34Å; G111-P114 WeakPolarHBondContact O-CD 3.15Å; G111-P114 WeakPolarHBondContact O-CG 3.42Å
112I97.8Very high93.1Very high0 Ų046.2 Ų46.20%025%0.252CS..Hα-helixtrans-58-49-173.3-72.5162.8000113.3M63 I68 S96 M97 R115 A116 I224 L294M63-I112 HydrophobicContact CE-CD1 3.91Å; M63-I112 HydrophobicContact CE-CG1 3.84Å; M63-I112 HydrophobicContact SD-CD1 3.83Å; M63-I112 HydrophobicContact SD-CG1 4.15Å; I68-I112 HydrophobicContact CB-CG2 4.31Å; I68-I112 HydrophobicContact CD1-CD1 4.19Å; I68-I112 HydrophobicContact CD1-CG2 4.34Å; I68-I112 HydrophobicContact CG1-CB 4.49Å; I68-I112 HydrophobicContact CG1-CD1 3.84Å; I68-I112 HydrophobicContact CG1-CG1 3.87Å; I68-I112 HydrophobicContact CG1-CG2 3.8Å; I68-I112 HydrophobicContact CG2-CG2 3.92Å; S96-I112 WeakPolarHBondContact O-CB 3.4Å; S96-I112 WeakPolarHBondContact O-CD1 3.19Å; S96-I112 WeakPolarHBondContact O-CG1 3.38Å; S96-I112 PolarHBondContact O-N 3.11Å; M97-I112 HydrophobicContact CE-CD1 3.5Å; M97-I112 HydrophobicContact SD-CD1 4.13Å; I112-R115 PolarHBondContact O-N 3.13Å; I112-A116 VanDerWaalsContact O-CB 3.25Å; I112-A116 WeakPolarHBondContact O-CB 3.36Å; I112-A116 PolarHBondContact O-N 3.11Å; I112-I224 HydrophobicContact CG2-CD1 3.84Å; I112-L294 HydrophobicContact CD1-CD2 4.38Å
113L97.4Very high93.7Very high0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-57.5-51.3-172.2178.559.6000114.3M97 G111 L117 L180 L184 V209 I211 I224M97-L113 WeakPolarHBondContact O-CB 3.35Å; M97-L113 PolarHBondContact O-N 3.01Å; G111-L113 PolarHBondContact O-N 3.34Å; L113-L117 PolarHBondContact O-N 2.89Å; L113-L117 VanDerWaalsContact O-N 3.1Å; L113-L180 HydrophobicContact CD1-CD1 4.44Å; L113-L180 HydrophobicContact CD2-CD1 4.13Å; L113-L180 HydrophobicContact CG-CD1 4.1Å; L113-L180 HydrophobicContact CG-CD2 4.18Å; L113-L184 HydrophobicContact CD2-CD1 4.04Å; L113-L184 HydrophobicContact CD2-CD2 3.84Å; L113-L184 HydrophobicContact CD2-CG 4.32Å; L113-V209 HydrophobicContact CD1-CB 4.35Å; L113-V209 HydrophobicContact CD1-CG1 3.82Å; L113-V209 HydrophobicContact CD2-CB 3.96Å; L113-V209 HydrophobicContact CD2-CG1 3.88Å; L113-V209 HydrophobicContact CD2-CG2 4.03Å; L113-I211 HydrophobicContact CD1-CD1 4.09Å; L113-I211 HydrophobicContact CD1-CG1 4.05Å; L113-I224 HydrophobicContact CB-CG1 4.48Å; L113-I224 HydrophobicContact CB-CG2 4.26Å; L113-I224 HydrophobicContact CD1-CB 4.3Å; L113-I224 HydrophobicContact CD1-CG1 3.88Å
114P96.5Very high94.3Very high16 Ų1644.2 Ų44.210%0.10422%0.221CC..Hα-helixtrans-65.3-39.7175.923.3-33.1000113.3P102 L110 G111 L117 G118 L180P102-P114 HydrophobicContact CG-CB 4.18Å; L110-P114 HydrophobicContact CB-CG 4.02Å; L110-P114 HydrophobicContact CD2-CB 4.34Å; L110-P114 HydrophobicContact CD2-CG 4.01Å; G111-P114 WeakPolarHBondContact O-CD 3.15Å; G111-P114 WeakPolarHBondContact O-CG 3.42Å; P114-L117 PolarHBondContact O-N 2.67Å; P114-G118 PolarHBondContact O-N 2.81Å; P114-L180 HydrophobicContact CB-CD2 3.91Å
115R96.9Very high94.8Very high46 Ų4641.8 Ų41.817%0.17422%0.215CC..Hα-helixtrans-62.8-48.1177.6-65.6-176.4-166.2-81.8-17.9111.7D61 Y64 P107 L110 I112 L117 G118 D119D61-R115 IonicContact OD1-CZ 2.75Å; D61-R115 IonicContact OD1-NE 3.58Å; D61-R115 IonicContact OD1-NH1 3.99Å; D61-R115 PolarHBondContact OD1-NH1 3Å; Y64-R115 HydrophobicContact CD1-CB 3.75Å; Y64-R115 HydrophobicContact CD1-CG 4.33Å; Y64-R115 HydrophobicContact CD2-CB 3.7Å; Y64-R115 HydrophobicContact CE1-CB 3.74Å; Y64-R115 HydrophobicContact CE2-CB 3.72Å; Y64-R115 HydrophobicContact CG-CB 3.74Å; Y64-R115 HydrophobicContact CG-CG 4.33Å; Y64-R115 PolarHBondContact OH-O 3.46Å; P107-R115 PolarHBondContact O-NH2 2.98Å; L110-R115 PolarHBondContact O-NE 3.04Å; L110-R115 PolarHBondContact O-NH2 3.07Å; I112-R115 PolarHBondContact O-N 3.13Å; R115-L117 VanDerWaalsContact C-N 3.27Å; R115-L117 PolarHBondContact O-N 2.85Å; R115-G118 PolarHBondContact O-N 3.43Å; R115-G118 VanDerWaalsContact O-N 3.15Å; R115-D119 PolarHBondContact O-N 2.85Å; R115-D119 VanDerWaalsContact O-N 3.13Å
116A97.6Very high94.9Very high1 Ų141.4 Ų41.41%0.00822%0.22CC..Hα-helixtrans-58.1-38.9176.400000112.2Y64 I68 V72 I112 I120 M222Y64-A116 HydrophobicContact CE2-CB 3.99Å; Y64-A116 WeakPolarHBondContact OH-CA 3.49Å; I68-A116 HydrophobicContact CG2-CB 4.45Å; V72-A116 HydrophobicContact CG2-CB 4.47Å; I112-A116 VanDerWaalsContact O-CB 3.25Å; I112-A116 WeakPolarHBondContact O-CB 3.36Å; I112-A116 PolarHBondContact O-N 3.11Å; A116-I120 WeakPolarHBondContact O-CB 3.33Å; A116-I120 VanDerWaalsContact O-CD1 3.27Å; A116-I120 WeakPolarHBondContact O-CD1 3.49Å; A116-I120 WeakPolarHBondContact O-CG1 3.23Å; A116-I120 PolarHBondContact O-N 2.9Å; A116-M222 HydrophobicContact CB-SD 4.02Å
117L97Very high94.6Very high0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-70.3-37.4177.7-173.364.2000112.6L113 P114 R115 I120 F121 V137 L174 L180 I211L113-L117 PolarHBondContact O-N 2.89Å; L113-L117 VanDerWaalsContact O-N 3.1Å; P114-L117 PolarHBondContact O-N 2.67Å; R115-L117 VanDerWaalsContact C-N 3.27Å; R115-L117 PolarHBondContact O-N 2.85Å; L117-I120 PolarHBondContact O-N 3.37Å; L117-F121 HydrophobicContact CD1-CD2 3.88Å; L117-F121 HydrophobicContact CD1-CE2 3.64Å; L117-F121 HydrophobicContact CD2-CE2 4.16Å; L117-F121 HydrophobicContact CG-CD2 3.83Å; L117-F121 HydrophobicContact CG-CE2 3.81Å; L117-F121 WeakPolarHBondContact O-CD2 3.44Å; L117-F121 PolarHBondContact O-N 3.32Å; L117-V137 HydrophobicContact CD1-CG1 4.2Å; L117-L174 HydrophobicContact CD1-CD1 3.75Å; L117-L174 HydrophobicContact CD2-CD1 3.9Å; L117-L180 HydrophobicContact CB-CD2 4.43Å; L117-L180 HydrophobicContact CD2-CB 3.59Å; L117-L180 HydrophobicContact CD2-CD1 4.31Å; L117-L180 HydrophobicContact CD2-CD2 3.82Å; L117-L180 HydrophobicContact CD2-CG 4.1Å; L117-I211 HydrophobicContact CD1-CD1 4.24Å; L117-I211 HydrophobicContact CD1-CG2 4.12Å
118G96Very high94Very high15 Ų1541 Ų4116%0.15520%0.203CC..Hα-helixtrans-57.5-55.8173.800000111.9P114 R115 I120 F121 E122P114-G118 PolarHBondContact O-N 2.81Å; R115-G118 PolarHBondContact O-N 3.43Å; R115-G118 VanDerWaalsContact O-N 3.15Å; G118-I120 VanDerWaalsContact C-N 3.3Å; G118-I120 PolarHBondContact O-N 2.83Å; G118-F121 PolarHBondContact O-N 3.24Å; G118-F121 VanDerWaalsContact O-N 3.11Å; G118-E122 PolarHBondContact O-N 3.29Å
119D97Very high93.5Very high27 Ų2742.9 Ų42.914%0.14421%0.212CC..Hα-helixtrans-56-41174.5-98.9-80.6000112.9Y64 L69 V72 R115 R123Y64-D119 WeakPolarHBondContact CE1-OD2 3.3Å; Y64-D119 WeakPolarHBondContact OH-CB 3.47Å; Y64-D119 VanDerWaalsContact OH-CG 3.28Å; Y64-D119 PolarHBondContact OH-OD2 3.27Å; L69-D119 HydrophobicContact CD1-CB 4.36Å; L69-D119 VanDerWaalsContact CD1-OD1 3.23Å; L69-D119 WeakPolarHBondContact CD1-OD1 3.34Å; L69-D119 WeakPolarHBondContact CD1-OD2 3.49Å; V72-D119 HydrophobicContact CG1-CB 4.12Å; V72-D119 HydrophobicContact CG2-CB 4.46Å; R115-D119 PolarHBondContact O-N 2.85Å; R115-D119 VanDerWaalsContact O-N 3.13Å; D119-R123 VanDerWaalsContact O-CB 3.25Å; D119-R123 WeakPolarHBondContact O-CB 3.18Å; D119-R123 VanDerWaalsContact O-CD 3.32Å; D119-R123 WeakPolarHBondContact O-CD 3.38Å; D119-R123 WeakPolarHBondContact O-CG 3.31Å; D119-R123 PolarHBondContact O-N 3.47Å; D119-R123 IonicContact OD1-CZ 2.74Å; D119-R123 IonicContact OD1-NE 3.9Å; D119-R123 PolarHBondContact OD1-NE 3.43Å; D119-R123 IonicContact OD1-NH2 3.59Å; D119-R123 PolarHBondContact OD1-NH2 2.93Å
120I96.8Very high92.9Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-61.2-44.9177.2-74.4164.5000110.5V72 L75 A116 L117 G118 V124 V137 I211 V213V72-I120 HydrophobicContact CG1-CG1 3.69Å; L75-I120 HydrophobicContact CD2-CD1 3.39Å; L75-I120 HydrophobicContact CD2-CG1 3.87Å; A116-I120 WeakPolarHBondContact O-CB 3.33Å; A116-I120 VanDerWaalsContact O-CD1 3.27Å; A116-I120 WeakPolarHBondContact O-CD1 3.49Å; A116-I120 WeakPolarHBondContact O-CG1 3.23Å; A116-I120 PolarHBondContact O-N 2.9Å; L117-I120 PolarHBondContact O-N 3.37Å; G118-I120 VanDerWaalsContact C-N 3.3Å; G118-I120 PolarHBondContact O-N 2.83Å; I120-V124 VanDerWaalsContact O-CB 3.22Å; I120-V124 WeakPolarHBondContact O-CB 2.63Å; I120-V124 WeakPolarHBondContact O-CG2 3.29Å; I120-V124 PolarHBondContact O-N 2.93Å; I120-V137 HydrophobicContact CG2-CG1 4.46Å; I120-V137 HydrophobicContact CG2-CG2 4.23Å; I120-I211 HydrophobicContact CD1-CG2 3.91Å; I120-V213 HydrophobicContact CG2-CG2 4.04Å
121F95.6Very high91.4Very high32 Ų3249.7 Ų49.714%0.1425%0.251CS..Hα-helixtrans-67.8-48.7178.1-88.1-66.2000112.3L117 G118 R123 V124 T125 V137 L174 S176 Q177L117-F121 HydrophobicContact CD1-CD2 3.88Å; L117-F121 HydrophobicContact CD1-CE2 3.64Å; L117-F121 HydrophobicContact CD2-CE2 4.16Å; L117-F121 HydrophobicContact CG-CD2 3.83Å; L117-F121 HydrophobicContact CG-CE2 3.81Å; L117-F121 WeakPolarHBondContact O-CD2 3.44Å; L117-F121 PolarHBondContact O-N 3.32Å; G118-F121 PolarHBondContact O-N 3.24Å; G118-F121 VanDerWaalsContact O-N 3.11Å; F121-R123 PolarHBondContact O-N 3.01Å; F121-V124 PolarHBondContact O-N 3.06Å; F121-V124 VanDerWaalsContact O-N 3.12Å; F121-T125 PolarHBondContact O-N 2.9Å; F121-T125 PolarHBondContact O-OG1 3.4Å; F121-T125 VanDerWaalsContact O-OG1 3.09Å; F121-V137 HydrophobicContact CE1-CB 4.42Å; F121-V137 HydrophobicContact CE1-CG2 4.22Å; F121-V137 HydrophobicContact CZ-CB 4.26Å; F121-V137 HydrophobicContact CZ-CG1 4.5Å; F121-V137 HydrophobicContact CZ-CG2 4.46Å; F121-L174 HydrophobicContact CE2-CB 4.18Å; F121-L174 HydrophobicContact CZ-CB 3.71Å; F121-S176 VanDerWaalsContact CE2-O 3.3Å; F121-S176 WeakPolarHBondContact CE2-O 3.33Å; F121-Q177 HydrophobicContact CD2-CB 4.23Å
122E94.7Very high90.3Very high140 Ų14056 Ų5665%0.65428%0.279SS*.Hα-helixtrans-53.9-51.7178.9-172.7-173.2119.200111.4G118 V124 T125 A126G118-E122 PolarHBondContact O-N 3.29Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.05Å; E122-T125 PolarHBondContact O-N 3.06Å; E122-A126 PolarHBondContact O-N 2.72Å
123R93.7Very high89.5Confident52 Ų5259.7 Ų59.720%0.19630%0.299CS..Hα-helixtrans-72.1-20.6-179.2-61.4167.9-172.7-135.53.1113.4D73 L76 D119 F121 R127D73-R123 IonicContact OD1-NH1 3.96Å; D73-R123 PolarHBondContact OD1-NH1 3.18Å; D73-R123 IonicContact OD2-CZ 3.71Å; D73-R123 IonicContact OD2-NH1 2.67Å; D73-R123 PolarHBondContact OD2-NH1 2.95Å; L76-R123 HydrophobicContact CD1-CB 3.48Å; L76-R123 VanDerWaalsContact CD1-CB 3.48Å; L76-R123 HydrophobicContact CD1-CG 4.24Å; D119-R123 VanDerWaalsContact O-CB 3.25Å; D119-R123 WeakPolarHBondContact O-CB 3.18Å; D119-R123 VanDerWaalsContact O-CD 3.32Å; D119-R123 WeakPolarHBondContact O-CD 3.38Å; D119-R123 WeakPolarHBondContact O-CG 3.31Å; D119-R123 PolarHBondContact O-N 3.47Å; D119-R123 IonicContact OD1-CZ 2.74Å; D119-R123 IonicContact OD1-NE 3.9Å; D119-R123 PolarHBondContact OD1-NE 3.43Å; D119-R123 IonicContact OD1-NH2 3.59Å; D119-R123 PolarHBondContact OD1-NH2 2.93Å; F121-R123 PolarHBondContact O-N 3.01Å; R123-R127 WeakPolarHBondContact O-CD 3.09Å; R123-R127 WeakPolarHBondContact O-CG 3.5Å
124V92Very high89.1Confident4 Ų462.8 Ų62.82%0.02432%0.324CS..Hα-helixtrans-78-43.6170.8163.80000110.5L76 I120 F121 E122 R127 Q128 I135L76-V124 HydrophobicContact CD2-CG2 3.98Å; I120-V124 VanDerWaalsContact O-CB 3.22Å; I120-V124 WeakPolarHBondContact O-CB 2.63Å; I120-V124 WeakPolarHBondContact O-CG2 3.29Å; I120-V124 PolarHBondContact O-N 2.93Å; F121-V124 PolarHBondContact O-N 3.06Å; F121-V124 VanDerWaalsContact O-N 3.12Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.05Å; V124-R127 WeakPolarHBondContact O-CB 3.47Å; V124-R127 PolarHBondContact O-N 3.3Å; V124-R127 VanDerWaalsContact O-N 3.12Å; V124-Q128 WeakPolarHBondContact O-CG 3.4Å; V124-Q128 PolarHBondContact O-N 3.07Å; V124-I135 HydrophobicContact CG1-CB 3.95Å; V124-I135 HydrophobicContact CG1-CD1 4.45Å; V124-I135 HydrophobicContact CG1-CG2 4.05Å; V124-I135 HydrophobicContact CG2-CD1 4.22Å; V124-I135 HydrophobicContact CG2-CG2 3.95Å
125T91.4Very high88.9Confident71 Ų7163.5 Ų63.544%0.43633%0.327SS..Hα-helixtrans-59.3-50.8176.1-58.90000111.2F121 E122 R127 Q128 E129F121-T125 PolarHBondContact O-N 2.9Å; F121-T125 PolarHBondContact O-OG1 3.4Å; F121-T125 VanDerWaalsContact O-OG1 3.09Å; E122-T125 PolarHBondContact O-N 3.06Å; T125-R127 PolarHBondContact O-N 3.3Å; T125-R127 VanDerWaalsContact O-N 3.08Å; T125-Q128 WeakPolarHBondContact O-CA 3.34Å; T125-Q128 WeakPolarHBondContact O-CB 3.4Å; T125-Q128 PolarHBondContact O-N 2.97Å; T125-E129 PolarHBondContact O-N 3.08Å; T125-E129 VanDerWaalsContact O-N 3.07Å
126A90.6Very high88.7Confident46 Ų4666.9 Ų66.938%0.3835%0.345SS..Hα-helixtrans-60.1-22.9176.300000113.8E122 N130E122-A126 PolarHBondContact O-N 2.72Å; A126-N130 PolarHBondContact O-ND2 2.98Å
127R86Confident88.7Confident94 Ų9467.1 Ų67.136%0.35535%0.346SS..Hα-helixtrans-81.9-29.1171.9-76174177.3-150.63.8113.1L76 R123 V124 T125 N130L76-R127 PolarHBondContact O-NH1 3.29Å; L76-R127 PolarHBondContact O-NH2 3.05Å; R123-R127 WeakPolarHBondContact O-CD 3.09Å; R123-R127 WeakPolarHBondContact O-CG 3.5Å; V124-R127 WeakPolarHBondContact O-CB 3.47Å; V124-R127 PolarHBondContact O-N 3.3Å; V124-R127 VanDerWaalsContact O-N 3.12Å; T125-R127 PolarHBondContact O-N 3.3Å; T125-R127 VanDerWaalsContact O-N 3.08Å; R127-N130 PolarHBondContact O-N 3.32Å
128Q79.6Confident88.7Confident90 Ų9069 Ų6942%0.42135%0.353SS..Hα-helixtrans-75.6-34.8176.9-70-177.821.100112.2V124 T125 N130 N131V124-Q128 WeakPolarHBondContact O-CG 3.4Å; V124-Q128 PolarHBondContact O-N 3.07Å; T125-Q128 WeakPolarHBondContact O-CA 3.34Å; T125-Q128 WeakPolarHBondContact O-CB 3.4Å; T125-Q128 PolarHBondContact O-N 2.97Å; Q128-N130 PolarHBondContact O-N 3.14Å; Q128-N130 VanDerWaalsContact O-N 3.11Å; Q128-N131 WeakPolarHBondContact O-CA 3.15Å; Q128-N131 PolarHBondContact O-N 3.24Å
129E81.8Confident88.8Confident146 Ų14668.3 Ų68.368%0.68235%0.346SS*.THydrogen-bonded Turntrans-52.7-31.7169.7-69.2169.6-177.900112.6T125 N131T125-E129 PolarHBondContact O-N 3.08Å; T125-E129 VanDerWaalsContact O-N 3.07Å; E129-N131 VanDerWaalsContact C-N 3.25Å; E129-N131 PolarHBondContact O-N 3.31Å
130N80.4Confident88.8Confident104 Ų10467.1 Ų67.156%0.55634%0.34SS*.THydrogen-bonded Turntrans-85.616.7176.9-77.7-96.5000113.7A126 R127 Q128 K132A126-N130 PolarHBondContact O-ND2 2.98Å; R127-N130 PolarHBondContact O-N 3.32Å; Q128-N130 PolarHBondContact O-N 3.14Å; Q128-N130 VanDerWaalsContact O-N 3.11Å; N130-K132 HydrophobicContact CB-CD 4.21Å; N130-K132 PolarHBondContact O-N 3.49Å; N130-K132 VanDerWaalsContact O-N 3.14Å
131N64Low88.7Confident159 Ų15967.2 Ų67.285%0.8534%0.34SS*.THydrogen-bonded Turntrans49.537.1178.2-94.2-38000115.1Q128 E129Q128-N131 WeakPolarHBondContact O-CA 3.15Å; Q128-N131 PolarHBondContact O-N 3.24Å; E129-N131 VanDerWaalsContact C-N 3.25Å; E129-N131 PolarHBondContact O-N 3.31Å
132K73Confident88.7Confident134 Ų13465.8 Ų65.858%0.58333%0.334SS*.PPolyproline II helixtrans-85.1165.7175.5-71.4164.1-174165.70111N130 A134N130-K132 HydrophobicContact CB-CD 4.21Å; N130-K132 PolarHBondContact O-N 3.49Å; N130-K132 VanDerWaalsContact O-N 3.14Å; K132-A134 PolarHBondContact O-N 2.77Å
133D81.6Confident88.6Confident77 Ų7759.1 Ų59.141%0.41230%0.303SS..PPolyproline II helixtrans-46.6132.7-177.6-86.2-51000113I135 K216D133-I135 WeakPolarHBondContact O-CG1 3.49Å; D133-I135 PolarHBondContact O-N 3.41Å; D133-K216 VanDerWaalsContact OD1-CD 3.3Å; D133-K216 WeakPolarHBondContact OD1-CD 3.41Å; D133-K216 WeakPolarHBondContact OD1-CE 3.35Å; D133-K216 IonicContact OD1-NZ 2.6Å; D133-K216 PolarHBondContact OD1-NZ 3.37Å
134A89Confident88.5Confident65 Ų6556.7 Ų56.754%0.53729%0.293SS..PPolyproline II helixtrans-51.1124.217900000111.7K132K132-A134 PolarHBondContact O-N 2.77Å
135I92Very high88.3Confident30 Ų3057.9 Ų57.915%0.15430%0.298CS..  trans-105.9131.5177.4-58.4178.8000108.3V124 D133 V213 K214V124-I135 HydrophobicContact CG1-CB 3.95Å; V124-I135 HydrophobicContact CG1-CD1 4.45Å; V124-I135 HydrophobicContact CG1-CG2 4.05Å; V124-I135 HydrophobicContact CG2-CD1 4.22Å; V124-I135 HydrophobicContact CG2-CG2 3.95Å; D133-I135 WeakPolarHBondContact O-CG1 3.49Å; D133-I135 PolarHBondContact O-N 3.41Å; I135-V213 HydrophobicContact CG2-CG1 3.48Å; I135-V213 VanDerWaalsContact CG2-CG1 3.48Å; I135-K214 CarbonylContact C-O 3.46Å; I135-K214 WeakPolarHBondContact CA-O 3.23Å
136Q93.8Very high87.9Confident118 Ų11857.3 Ų57.355%0.55129%0.292SS*.EExtended strand (participates in β ladder)trans-119130.6175.2-68.2179.4-40.400110Y138 K214Q136-Y138 HydrophobicContact CB-CE2 3.62Å; Q136-Y138 PolarHBondContact OE1-OH 3.48Å; Q136-Y138 VanDerWaalsContact OE1-OH 3.07Å; Q136-K214 PolarHBondContact N-O 2.84Å; Q136-K214 PolarHBondContact O-N 2.87Å
137V96.8Very high87.8Confident5 Ų557.3 Ų57.33%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-99.4143178-170.80000109.2L117 I120 F121 L174 I211 H212L117-V137 HydrophobicContact CD1-CG1 4.2Å; I120-V137 HydrophobicContact CG2-CG1 4.46Å; I120-V137 HydrophobicContact CG2-CG2 4.23Å; F121-V137 HydrophobicContact CE1-CB 4.42Å; F121-V137 HydrophobicContact CE1-CG2 4.22Å; F121-V137 HydrophobicContact CZ-CB 4.26Å; F121-V137 HydrophobicContact CZ-CG1 4.5Å; F121-V137 HydrophobicContact CZ-CG2 4.46Å; V137-L174 HydrophobicContact CB-CB 4.34Å; V137-L174 HydrophobicContact CG1-CB 4.25Å; V137-L174 HydrophobicContact CG1-CD1 4.1Å; V137-L174 PolarHBondContact O-N 2.92Å; V137-I211 HydrophobicContact CG1-CG2 3.81Å; V137-H212 CarbonylContact C-O 3.52Å; V137-H212 WeakPolarHBondContact CA-O 3.49Å
138Y97.3Very high87.9Confident41 Ų4158.1 Ų58.116%0.16129%0.29CS..EExtended strand (participates in β ladder)trans-140.8154.6175-54.2-107000110.3Q136 C171 L172 P173 I211 H212 K214Q136-Y138 HydrophobicContact CB-CE2 3.62Å; Q136-Y138 PolarHBondContact OE1-OH 3.48Å; Q136-Y138 VanDerWaalsContact OE1-OH 3.07Å; Y138-C171 HydrophobicContact CD1-CB 4.37Å; Y138-L172 CarbonylContact C-O 3.58Å; Y138-L172 WeakPolarHBondContact CA-O 3.47Å; Y138-L172 VanDerWaalsContact CB-O 3.29Å; Y138-L172 WeakPolarHBondContact CB-O 3.36Å; Y138-P173 HydrophobicContact CD1-CB 4.06Å; Y138-P173 HydrophobicContact CE1-CB 4.07Å; Y138-I211 WeakPolarHBondContact O-CA 3.11Å; Y138-H212 PolarHBondContact N-O 2.92Å; Y138-H212 PolarHBondContact O-N 2.81Å; Y138-K214 HydrophobicContact CD2-CD 3.88Å; Y138-K214 HydrophobicContact CD2-CG 4.22Å; Y138-K214 HydrophobicContact CE2-CB 4.34Å; Y138-K214 HydrophobicContact CE2-CD 3.53Å; Y138-K214 HydrophobicContact CE2-CG 4.09Å
139A97.6Very high88.6Confident0 Ų054.2 Ų54.20%027%0.273CS..EExtended strand (participates in β ladder)trans-112.1144.9164.600000111.6C171 L172 L174 I183 T210 I211A139-C171 CarbonylContact O-C 3.55Å; A139-C171 WeakPolarHBondContact O-CA 3.44Å; A139-L172 PolarHBondContact N-O 2.67Å; A139-L172 PolarHBondContact O-N 2.81Å; A139-L174 HydrophobicContact CB-CD1 4.05Å; A139-L174 HydrophobicContact CB-CD2 4.18Å; A139-L174 HydrophobicContact CB-CG 4.26Å; A139-I183 HydrophobicContact CB-CG1 4.21Å; A139-I183 HydrophobicContact CB-CG2 3.94Å; A139-T210 WeakPolarHBondContact CA-O 3.33Å; A139-I211 HydrophobicContact CB-CD1 4.2Å
140S96.6Very high89.1Confident1 Ų147.8 Ų47.81%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-125.8143.7158.463.20000109.8T170 V209 T210 H212S140-T170 WeakPolarHBondContact CA-O 3.44Å; S140-T170 VanDerWaalsContact CB-O 3.23Å; S140-T170 WeakPolarHBondContact CB-O 3.34Å; S140-V209 WeakPolarHBondContact O-CA 3.38Å; S140-T210 PolarHBondContact N-O 3.01Å; S140-T210 PolarHBondContact O-N 3.23Å; S140-H212 WeakPolarHBondContact CB-NE2 3.44Å; S140-H212 PolarHBondContact N-NE2 2.83Å; S140-H212 PolarHBondContact OG-NE2 2.89Å
141F96.2Very high89.8Confident2 Ų242.9 Ų42.91%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-124.3115.7179.7-162.6169.8000109.4M99 L152 L153 L184 A207 I208 V209M99-F141 HydrophobicContact CE-CE2 4.04Å; M99-F141 HydrophobicContact CE-CZ 4Å; F141-L152 HydrophobicContact CB-CB 4.28Å; F141-L152 HydrophobicContact CD1-CD1 4.37Å; F141-L152 HydrophobicContact CD2-CD1 3.73Å; F141-L152 HydrophobicContact CE1-CD1 4.35Å; F141-L152 HydrophobicContact CE2-CD1 3.7Å; F141-L152 HydrophobicContact CG-CB 4.28Å; F141-L152 HydrophobicContact CG-CD1 4.07Å; F141-L152 HydrophobicContact CZ-CD1 4.03Å; F141-L152 WeakPolarHBondContact O-CB 3.42Å; F141-L152 PolarHBondContact O-N 2.9Å; F141-L153 HydrophobicContact CB-CD1 4.08Å; F141-L153 HydrophobicContact CB-CD2 3.99Å; F141-L153 HydrophobicContact CB-CG 3.82Å; F141-L184 HydrophobicContact CE1-CD2 3.93Å; F141-L184 HydrophobicContact CZ-CD2 4.45Å; F141-A207 HydrophobicContact CE2-CB 4.06Å; F141-I208 WeakPolarHBondContact CA-O 3.1Å; F141-V209 HydrophobicContact CB-CG2 4.38Å; F141-V209 HydrophobicContact CD1-CG2 4.01Å; F141-V209 HydrophobicContact CD2-CG2 3.59Å; F141-V209 HydrophobicContact CE1-CG2 4.19Å; F141-V209 HydrophobicContact CE2-CG2 3.8Å; F141-V209 HydrophobicContact CG-CG2 3.73Å; F141-V209 HydrophobicContact CZ-CG2 4.1Å
142I94.9Very high91.3Very high2 Ų235.3 Ų35.31%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-114.1138.6177.4-64.4174.4000109.5I144 P149 F150 M161 C169 I208 V280I142-I144 HydrophobicContact CG2-CG1 4.31Å; I142-P149 HydrophobicContact CG2-CB 4.33Å; I142-F150 WeakPolarHBondContact CA-O 3.14Å; I142-M161 HydrophobicContact CD1-CE 3.84Å; I142-M161 HydrophobicContact CG1-CE 3.88Å; I142-M161 HydrophobicContact CG2-CE 4.16Å; I142-C169 HydrophobicContact CD1-CB 4.01Å; I142-C169 HydrophobicContact CG1-CB 4.26Å; I142-I208 HydrophobicContact CB-CB 4.35Å; I142-I208 PolarHBondContact N-O 3Å; I142-I208 PolarHBondContact O-N 3.48Å; I142-V280 HydrophobicContact CD1-CG1 3.74Å; I142-V280 HydrophobicContact CG2-CG2 4.45Å
143E93Very high92.3Very high0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-104.9142.3162.5179.6179.6-14100110.1P149 F150 L152 R191 R194 S205 H206E143-P149 CarbonylContact O-C 3.53Å; E143-P149 VanDerWaalsContact O-CA 3.31Å; E143-P149 WeakPolarHBondContact O-CA 3.27Å; E143-F150 PolarHBondContact N-O 3.23Å; E143-F150 PolarHBondContact O-N 3.41Å; E143-L152 HydrophobicContact CB-CD1 3.9Å; E143-L152 HydrophobicContact CB-CD2 4.19Å; E143-L152 HydrophobicContact CB-CG 4.05Å; E143-R191 VanDerWaalsContact OE1-CG 3.25Å; E143-R191 WeakPolarHBondContact OE1-CG 3.03Å; E143-R191 IonicContact OE1-NE 2.67Å; E143-R191 PolarHBondContact OE1-NE 2.86Å; E143-R191 VanDerWaalsContact OE1-NE 3.09Å; E143-R194 IonicContact OE1-NH1 2.83Å; E143-R194 IonicContact OE2-CZ 2.73Å; E143-R194 IonicContact OE2-NH1 2.8Å; E143-R194 PolarHBondContact OE2-NH1 2.93Å; E143-R194 IonicContact OE2-NH2 2.63Å; E143-R194 PolarHBondContact OE2-NH2 2.8Å; E143-S205 WeakPolarHBondContact OE1-CB 3.33Å; E143-S205 PolarHBondContact OE1-OG 3.45Å; E143-H206 CarbonylContact C-O 3.6Å; E143-H206 WeakPolarHBondContact CA-O 3.02Å
144I91.5Very high92.8Very high1 Ų126.3 Ų26.31%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-115.9112.8165.7-54.6170.9000108I142 K148 P149 S205 H206 I208 V276 L277 V280I142-I144 HydrophobicContact CG2-CG1 4.31Å; I144-K148 WeakPolarHBondContact CA-O 3.43Å; I144-P149 HydrophobicContact CG1-CB 4.46Å; I144-S205 CarbonylContact O-C 3.51Å; I144-S205 VanDerWaalsContact O-CA 3.29Å; I144-S205 WeakPolarHBondContact O-CA 3.39Å; I144-S205 WeakPolarHBondContact O-CB 3.27Å; I144-H206 HydrophobicContact CB-CB 4.28Å; I144-H206 PolarHBondContact N-O 3.17Å; I144-H206 PolarHBondContact O-N 2.75Å; I144-I208 HydrophobicContact CD1-CD1 3.65Å; I144-I208 HydrophobicContact CG1-CD1 4.28Å; I144-V276 HydrophobicContact CD1-CG1 3.94Å; I144-V276 HydrophobicContact CG1-CG1 3.98Å; I144-V276 HydrophobicContact CG2-CB 4.08Å; I144-V276 HydrophobicContact CG2-CG1 3.86Å; I144-L277 HydrophobicContact CD1-CB 4.01Å; I144-L277 HydrophobicContact CD1-CD1 3.94Å; I144-V280 HydrophobicContact CD1-CG2 4.14Å
145Y86.6Confident92.8Very high30 Ų3028.7 Ų28.712%0.11815%0.148CC..EExtended strand (participates in β ladder)trans-123.6126.5175.3175.2-118.8000109.4E147 K148 T196 E245Y145-E147 VanDerWaalsContact C-N 3.35Å; Y145-E147 PolarHBondContact O-N 2.81Å; Y145-K148 PolarHBondContact N-O 3.45Å; Y145-K148 WeakPolarHBondContact O-CB 3.42Å; Y145-K148 PolarHBondContact O-N 1.87Å; Y145-T196 HydrophobicContact CE1-CG2 4.25Å; Y145-E245 PolarHBondContact OH-OE1 2.69Å
146N83.3Confident92.7Very high59 Ų5929.3 Ų29.332%0.31615%0.154SC..THydrogen-bonded Turntrans50.250.1177.3-165.718.7000113.5K148 N248N146-K148 PolarHBondContact O-N 3.3Å; N146-N248 PolarHBondContact OD1-ND2 3.15Å
147E88.4Confident92.4Very high45 Ų4524.6 Ų24.621%0.2113%0.134CC..THydrogen-bonded Turntrans50.538.9-174.9-74.6-6793.500114.6Y145 N248 L251 S275 V276Y145-E147 VanDerWaalsContact C-N 3.35Å; Y145-E147 PolarHBondContact O-N 2.81Å; E147-N248 HydrophobicContact CG-CB 4.17Å; E147-L251 HydrophobicContact CG-CD2 4.13Å; E147-S275 WeakPolarHBondContact OE2-CA 3.48Å; E147-S275 WeakPolarHBondContact OE2-CB 3.48Å; E147-V276 HydrophobicContact CB-CG2 4.32Å; E147-V276 WeakPolarHBondContact O-CG2 3.45Å; E147-V276 PolarHBondContact OE2-N 3.06Å
148K89.6Confident91.9Very high112 Ų11229.9 Ų29.949%0.48716%0.158SC..EExtended strand (participates in β ladder)trans-129.8125.3168.3-66.3177.1-174.4177.60109.7I144 Y145 N146 F150 P160I144-K148 WeakPolarHBondContact CA-O 3.43Å; Y145-K148 PolarHBondContact N-O 3.45Å; Y145-K148 WeakPolarHBondContact O-CB 3.42Å; Y145-K148 PolarHBondContact O-N 1.87Å; N146-K148 PolarHBondContact O-N 3.3Å; K148-F150 HydrophobicContact CB-CE2 3.61Å; K148-F150 HydrophobicContact CB-CZ 3.84Å; K148-F150 VanDerWaalsContact O-CD2 3.24Å; K148-F150 WeakPolarHBondContact O-CD2 3.47Å; K148-F150 VanDerWaalsContact O-CE2 3.23Å; K148-F150 WeakPolarHBondContact O-CE2 3.41Å; K148-P160 HydrophobicContact CB-CB 4.08Å; K148-P160 HydrophobicContact CD-CB 4.41Å; K148-P160 HydrophobicContact CG-CB 4.45Å
149P93.1Very high91.5Very high8 Ų833 Ų335%0.05218%0.175CC..EExtended strand (participates in β ladder)trans-86.6142.517630.4-25.3000110.6I142 E143 I144 P160 M161 C166 V276 V280I142-P149 HydrophobicContact CG2-CB 4.33Å; E143-P149 CarbonylContact O-C 3.53Å; E143-P149 VanDerWaalsContact O-CA 3.31Å; E143-P149 WeakPolarHBondContact O-CA 3.27Å; I144-P149 HydrophobicContact CG1-CB 4.46Å; P149-P160 CarbonylContact O-C 3.54Å; P149-P160 WeakPolarHBondContact O-CA 3.21Å; P149-M161 HydrophobicContact CB-CE 4.21Å; P149-M161 HydrophobicContact CG-CB 4.08Å; P149-M161 WeakPolarHBondContact CG-O 3.45Å; P149-M161 PolarHBondContact O-N 2.73Å; P149-C166 WeakPolarHBondContact CG-SG 3.36Å; P149-V276 HydrophobicContact CB-CG1 3.54Å; P149-V276 HydrophobicContact CG-CG1 3.54Å; P149-V280 HydrophobicContact CB-CG2 4.23Å
150F93.3Very high91.1Very high10 Ų1036.2 Ų36.24%0.04420%0.196CC..EExtended strand (participates in β ladder)trans-131.9135.9-179.4-61.9-91.7000110I142 E143 K148 L152 P157 H158 M159 P160I142-F150 WeakPolarHBondContact CA-O 3.14Å; E143-F150 PolarHBondContact N-O 3.23Å; E143-F150 PolarHBondContact O-N 3.41Å; K148-F150 HydrophobicContact CB-CE2 3.61Å; K148-F150 HydrophobicContact CB-CZ 3.84Å; K148-F150 VanDerWaalsContact O-CD2 3.24Å; K148-F150 WeakPolarHBondContact O-CD2 3.47Å; K148-F150 VanDerWaalsContact O-CE2 3.23Å; K148-F150 WeakPolarHBondContact O-CE2 3.41Å; F150-L152 PolarHBondContact O-N 3.34Å; F150-P157 WeakPolarHBondContact CD1-O 3.45Å; F150-H158 WeakPolarHBondContact CE1-O 3.42Å; F150-M159 WeakPolarHBondContact CD1-O 3.16Å; F150-P160 HydrophobicContact CD1-CB 4.46Å; F150-P160 HydrophobicContact CE1-CB 3.94Å; F150-P160 HydrophobicContact CZ-CB 4.17Å
151D95.2Very high90.8Very high2 Ų236.7 Ų36.71%0.01120%0.198CC..EExtended strand (participates in β ladder)trans-86.5104.6177.5-175.1-15.8000109.1L153 G154 P157 M161 R165 T170D151-L153 VanDerWaalsContact C-N 3.27Å; D151-L153 PolarHBondContact O-N 3.07Å; D151-L153 PolarHBondContact OD1-N 3.43Å; D151-L153 VanDerWaalsContact OD1-N 3.14Å; D151-G154 PolarHBondContact OD1-N 2.92Å; D151-P157 VanDerWaalsContact O-CA 3.25Å; D151-P157 WeakPolarHBondContact O-CA 3.5Å; D151-P157 WeakPolarHBondContact O-CB 3.33Å; D151-M161 HydrophobicContact CB-CE 4.15Å; D151-M161 HydrophobicContact CB-CG 4.21Å; D151-M161 HydrophobicContact CB-SD 3.82Å; D151-R165 IonicContact OD2-NH2 2.68Å; D151-T170 WeakPolarHBondContact OD1-CB 3.22Å; D151-T170 PolarHBondContact OD1-OG1 3.12Å; D151-T170 WeakPolarHBondContact OD2-CB 3.48Å; D151-T170 PolarHBondContact OD2-N 2.63Å; D151-T170 PolarHBondContact OD2-OG1 3.04Å
152L94.3Very high90.4Very high0 Ų041.8 Ų41.80%023%0.229CC..SBendtrans-79-7.7-174.9-66.1-178.7000113.6F141 E143 F150 N190 R191F141-L152 HydrophobicContact CB-CB 4.28Å; F141-L152 HydrophobicContact CD1-CD1 4.37Å; F141-L152 HydrophobicContact CD2-CD1 3.73Å; F141-L152 HydrophobicContact CE1-CD1 4.35Å; F141-L152 HydrophobicContact CE2-CD1 3.7Å; F141-L152 HydrophobicContact CG-CB 4.28Å; F141-L152 HydrophobicContact CG-CD1 4.07Å; F141-L152 HydrophobicContact CZ-CD1 4.03Å; F141-L152 WeakPolarHBondContact O-CB 3.42Å; F141-L152 PolarHBondContact O-N 2.9Å; E143-L152 HydrophobicContact CB-CD1 3.9Å; E143-L152 HydrophobicContact CB-CD2 4.19Å; E143-L152 HydrophobicContact CB-CG 4.05Å; F150-L152 PolarHBondContact O-N 3.34Å; L152-N190 HydrophobicContact CD2-CB 4.22Å; L152-N190 PolarHBondContact O-ND2 2.68Å; L152-R191 HydrophobicContact CD1-CB 4.2Å; L152-R191 HydrophobicContact CD2-CB 4.26Å
153L94.9Very high89.8Confident14 Ų1443.5 Ų43.57%0.07324%0.243CC..SBendtrans-109.1-17.2177.9-52.9-178000113F141 D151 T170 L172 I183 L186F141-L153 HydrophobicContact CB-CD1 4.08Å; F141-L153 HydrophobicContact CB-CD2 3.99Å; F141-L153 HydrophobicContact CB-CG 3.82Å; D151-L153 VanDerWaalsContact C-N 3.27Å; D151-L153 PolarHBondContact O-N 3.07Å; D151-L153 PolarHBondContact OD1-N 3.43Å; D151-L153 VanDerWaalsContact OD1-N 3.14Å; L153-T170 HydrophobicContact CB-CG2 4.08Å; L153-L172 HydrophobicContact CB-CD1 4.1Å; L153-L172 HydrophobicContact CB-CG 4.34Å; L153-L172 HydrophobicContact CD1-CD1 4.14Å; L153-L172 HydrophobicContact CD1-CG 4.15Å; L153-L172 HydrophobicContact CG-CD1 4.49Å; L153-I183 HydrophobicContact CD1-CD1 4.28Å; L153-I183 HydrophobicContact CD1-CG2 4.03Å; L153-I183 HydrophobicContact CD2-CG2 4.03Å; L153-L186 HydrophobicContact CD2-CD2 4.16Å; L153-L186 HydrophobicContact CD2-CG 4.4Å
154G91.8Very high89.3Confident8 Ų846.6 Ų46.68%0.08227%0.269CS..SBendtrans-74.3167.117600000113.8D151 T156 P157 T170D151-G154 PolarHBondContact OD1-N 2.92Å; G154-T156 PolarHBondContact O-N 3.03Å; G154-P157 WeakPolarHBondContact O-CD 3.2Å; G154-T170 WeakPolarHBondContact CA-OG1 3.45Å; G154-T170 PolarHBondContact N-OG1 3.22Å
155S89.9Confident88.9Confident114 Ų11451.4 Ų51.480%0.79729%0.287SS*.SBendtrans-65.6-6.7178.657.70000115.5
156T89.3Confident88.6Confident44 Ų4450.1 Ų50.127%0.2728%0.282SS..  trans-134.350.9-170.333.60000112.6G154 H158 M159G154-T156 PolarHBondContact O-N 3.03Å; T156-H158 PolarHBondContact O-N 3.28Å; T156-H158 VanDerWaalsContact O-N 3.15Å; T156-M159 PolarHBondContact O-N 3.03Å
157P87.7Confident88.6Confident19 Ų1950 Ų5012%0.12328%0.28CS..THydrogen-bonded Turntrans-70.6-14.5-170.332.1-37.6000114.3F150 D151 G154 N190F150-P157 WeakPolarHBondContact CD1-O 3.45Å; D151-P157 VanDerWaalsContact O-CA 3.25Å; D151-P157 WeakPolarHBondContact O-CA 3.5Å; D151-P157 WeakPolarHBondContact O-CB 3.33Å; G154-P157 WeakPolarHBondContact O-CD 3.2Å; P157-N190 HydrophobicContact CB-CB 3.9Å; P157-N190 HydrophobicContact CG-CB 4.05Å
158H86Confident88.5Confident115 Ų11557.9 Ų57.953%0.53231%0.308SS..THydrogen-bonded Turntrans-82.6-16.5173.455.9-89.2000112.8F150 T156F150-H158 WeakPolarHBondContact CE1-O 3.42Å; T156-H158 PolarHBondContact O-N 3.28Å; T156-H158 VanDerWaalsContact O-N 3.15Å
159M88.1Confident88.5Confident108 Ų10853.1 Ų53.153%0.53229%0.289SS..SBendtrans-94.3134-179.6-67.9-61.4-75.900111.6F150 T156F150-M159 WeakPolarHBondContact CD1-O 3.16Å; T156-M159 PolarHBondContact O-N 3.03Å
160P89.6Confident88.6Confident66 Ų6654.7 Ų54.743%0.42930%0.298SS..BIsolated β-bridgetrans-71.4135.3177.730.3-34.7000111.2K148 P149 F150K148-P160 HydrophobicContact CB-CB 4.08Å; K148-P160 HydrophobicContact CD-CB 4.41Å; K148-P160 HydrophobicContact CG-CB 4.45Å; P149-P160 CarbonylContact O-C 3.54Å; P149-P160 WeakPolarHBondContact O-CA 3.21Å; F150-P160 HydrophobicContact CD1-CB 4.46Å; F150-P160 HydrophobicContact CE1-CB 3.94Å; F150-P160 HydrophobicContact CZ-CB 4.17Å
161M90.3Very high88.7Confident11 Ų1156.2 Ų56.25%0.05431%0.309CS..PPolyproline II helixtrans-72.6144.3172.6-72.1-165.3-73.100111.7I142 P149 D151 R165 C169I142-M161 HydrophobicContact CD1-CE 3.84Å; I142-M161 HydrophobicContact CG1-CE 3.88Å; I142-M161 HydrophobicContact CG2-CE 4.16Å; P149-M161 HydrophobicContact CB-CE 4.21Å; P149-M161 HydrophobicContact CG-CB 4.08Å; P149-M161 WeakPolarHBondContact CG-O 3.45Å; P149-M161 PolarHBondContact O-N 2.73Å; D151-M161 HydrophobicContact CB-CE 4.15Å; D151-M161 HydrophobicContact CB-CG 4.21Å; D151-M161 HydrophobicContact CB-SD 3.82Å; M161-R165 HydrophobicContact CB-CB 4.32Å; M161-R165 HydrophobicContact CG-CB 4.47Å; M161-R165 HydrophobicContact CG-CG 4.17Å; M161-R165 HydrophobicContact SD-CB 4.35Å; M161-R165 HydrophobicContact SD-CG 3.87Å; M161-C169 HydrophobicContact CE-CB 4.33Å; M161-C169 HydrophobicContact SD-CB 4.17Å
162V88.9Confident88.7Confident110 Ų11058.5 Ų58.567%0.66732%0.322SS*.PPolyproline II helixtrans-74.1150.5166.3-177.70000109.5A164 R165 C166V162-A164 PolarHBondContact O-N 3.22Å; V162-R165 PolarHBondContact O-N 2.93Å; V162-C166 PolarHBondContact O-N 2.9Å; V162-C166 PolarHBondContact O-SG 3.1Å; V162-C166 VanDerWaalsContact O-SG 3.39Å
163A81.8Confident88.8Confident37 Ų3761.5 Ų61.531%0.30634%0.341SS..THydrogen-bonded Turntrans-52-22.6-17700000116.2Q167 T279A163-Q167 PolarHBondContact O-NE2 2.93Å; A163-Q167 PolarHBondContact O-OE1 2.86Å; A163-Q167 VanDerWaalsContact O-OE1 3.07Å; A163-T279 HydrophobicContact CB-CG2 3.98Å
164A82.1Confident88.9Confident66 Ų6661.1 Ų61.155%0.54534%0.339SS..THydrogen-bonded Turntrans-93.8-16.1176.100000114.4V162 Q167V162-A164 PolarHBondContact O-N 3.22Å; A164-Q167 PolarHBondContact O-OE1 3.49Å
165R83Confident89Confident101 Ų10168.1 Ų68.138%0.38137%0.369SS..THydrogen-bonded Turntrans-82.1-20.8169.7-171.8175.9171.6-170.9-6.3111.2D151 M161 V162 Q167 R168 C169D151-R165 IonicContact OD2-NH2 2.68Å; M161-R165 HydrophobicContact CB-CB 4.32Å; M161-R165 HydrophobicContact CG-CB 4.47Å; M161-R165 HydrophobicContact CG-CG 4.17Å; M161-R165 HydrophobicContact SD-CB 4.35Å; M161-R165 HydrophobicContact SD-CG 3.87Å; V162-R165 PolarHBondContact O-N 2.93Å; R165-Q167 PolarHBondContact O-N 3.36Å; R165-R168 CarbonylContact O-C 3.04Å; R165-R168 WeakPolarHBondContact O-CA 3.26Å; R165-R168 PolarHBondContact O-N 3.03Å; R165-C169 PolarHBondContact O-N 3.46Å
166C81.1Confident89.2Confident3 Ų364.8 Ų64.82%0.0235%0.346CS..THydrogen-bonded Turntrans-56.1-32.9177.9-65.60000113.9P149 V162 T279 V280P149-C166 WeakPolarHBondContact CG-SG 3.36Å; V162-C166 PolarHBondContact O-N 2.9Å; V162-C166 PolarHBondContact O-SG 3.1Å; V162-C166 VanDerWaalsContact O-SG 3.39Å; C166-T279 HydrophobicContact CB-CG2 4.39Å; C166-V280 HydrophobicContact CB-CG2 3.98Å
167Q82.5Confident89.2Confident56 Ų5668.7 Ų68.726%0.26236%0.361SS..THydrogen-bonded Turntrans-97.49.1176.3-44.776.318.400112.6A163 A164 R165 T279A163-Q167 PolarHBondContact O-NE2 2.93Å; A163-Q167 PolarHBondContact O-OE1 2.86Å; A163-Q167 VanDerWaalsContact O-OE1 3.07Å; A164-Q167 PolarHBondContact O-OE1 3.49Å; R165-Q167 PolarHBondContact O-N 3.36Å; Q167-T279 PolarHBondContact NE2-O 3.34Å
168R86.2Confident89.4Confident211 Ų21171 Ų7180%0.79638%0.381SS*.SBendtrans-137.238.4177.7-60.8-175179.4-171.50.1110.3R165R165-R168 CarbonylContact O-C 3.04Å; R165-R168 WeakPolarHBondContact O-CA 3.26Å; R165-R168 PolarHBondContact O-N 3.03Å
169C90.4Very high89.8Confident13 Ų1367.7 Ų67.79%0.08837%0.368CS..  trans-70.7165.6173.652.90000111.1I142 M161 R165 C171I142-C169 HydrophobicContact CD1-CB 4.01Å; I142-C169 HydrophobicContact CG1-CB 4.26Å; M161-C169 HydrophobicContact CE-CB 4.33Å; M161-C169 HydrophobicContact SD-CB 4.17Å; R165-C169 PolarHBondContact O-N 3.46Å; C169-C171 PolarHBondContact O-N 3.14Å; C169-C171 VanDerWaalsContact O-N 3.17Å; C169-C171 PolarHBondContact O-SG 3.29Å
170T94.2Very high90.1Very high40 Ų4062.6 Ų62.625%0.24534%0.343CS..  trans-63116.8177.7-53.50000110S140 D151 L153 G154 L172S140-T170 WeakPolarHBondContact CA-O 3.44Å; S140-T170 VanDerWaalsContact CB-O 3.23Å; S140-T170 WeakPolarHBondContact CB-O 3.34Å; D151-T170 WeakPolarHBondContact OD1-CB 3.22Å; D151-T170 PolarHBondContact OD1-OG1 3.12Å; D151-T170 WeakPolarHBondContact OD2-CB 3.48Å; D151-T170 PolarHBondContact OD2-N 2.63Å; D151-T170 PolarHBondContact OD2-OG1 3.04Å; L153-T170 HydrophobicContact CB-CG2 4.08Å; G154-T170 WeakPolarHBondContact CA-OG1 3.45Å; G154-T170 PolarHBondContact N-OG1 3.22Å; T170-L172 HydrophobicContact CG2-CD2 3.82Å; T170-L172 HydrophobicContact CG2-CG 4.2Å
171C94.8Very high90.2Very high42 Ų4262.4 Ų62.428%0.28434%0.336SS..  trans-109.3101175.9-62.80000108.6Y138 A139 C169Y138-C171 HydrophobicContact CD1-CB 4.37Å; A139-C171 CarbonylContact O-C 3.55Å; A139-C171 WeakPolarHBondContact O-CA 3.44Å; C169-C171 PolarHBondContact O-N 3.14Å; C169-C171 VanDerWaalsContact O-N 3.17Å; C169-C171 PolarHBondContact O-SG 3.29Å
172L96.4Very high90.3Very high51 Ų5167 Ų6727%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-81.7137176.2-60.4-176.6000109.6Y138 A139 L153 T170 I183Y138-L172 CarbonylContact C-O 3.58Å; Y138-L172 WeakPolarHBondContact CA-O 3.47Å; Y138-L172 VanDerWaalsContact CB-O 3.29Å; Y138-L172 WeakPolarHBondContact CB-O 3.36Å; A139-L172 PolarHBondContact N-O 2.67Å; A139-L172 PolarHBondContact O-N 2.81Å; L153-L172 HydrophobicContact CB-CD1 4.1Å; L153-L172 HydrophobicContact CB-CG 4.34Å; L153-L172 HydrophobicContact CD1-CD1 4.14Å; L153-L172 HydrophobicContact CD1-CG 4.15Å; L153-L172 HydrophobicContact CG-CD1 4.49Å; T170-L172 HydrophobicContact CG2-CD2 3.82Å; T170-L172 HydrophobicContact CG2-CG 4.2Å; L172-I183 HydrophobicContact CB-CD1 3.83Å; L172-I183 HydrophobicContact CD1-CD1 3.67Å; L172-I183 HydrophobicContact CG-CD1 4.3Å
173P96.4Very high90.6Very high62 Ų6261.9 Ų61.940%0.40333%0.326SS..EExtended strand (participates in β ladder)trans-65.6150177.329.9-35000110.6Y138Y138-P173 HydrophobicContact CD1-CB 4.06Å; Y138-P173 HydrophobicContact CE1-CB 4.07Å
174L96.8Very high91.2Very high7 Ų760.1 Ų60.14%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-116.8124.3167.2-54.7-179.9000107.9L117 F121 V137 A139 D179 I183 I211L117-L174 HydrophobicContact CD1-CD1 3.75Å; L117-L174 HydrophobicContact CD2-CD1 3.9Å; F121-L174 HydrophobicContact CE2-CB 4.18Å; F121-L174 HydrophobicContact CZ-CB 3.71Å; V137-L174 HydrophobicContact CB-CB 4.34Å; V137-L174 HydrophobicContact CG1-CB 4.25Å; V137-L174 HydrophobicContact CG1-CD1 4.1Å; V137-L174 PolarHBondContact O-N 2.92Å; A139-L174 HydrophobicContact CB-CD1 4.05Å; A139-L174 HydrophobicContact CB-CD2 4.18Å; A139-L174 HydrophobicContact CB-CG 4.26Å; L174-D179 HydrophobicContact CD2-CB 3.76Å; L174-I183 HydrophobicContact CD2-CD1 4.4Å; L174-I183 HydrophobicContact CD2-CG1 3.85Å; L174-I211 HydrophobicContact CD1-CD1 4.18Å
175H93.9Very high91.7Very high155 Ų15560.4 Ų60.472%0.71830%0.302SS*.SBendtrans-100.9-27.1173.8-57.4-78.5000111.2D179H175-D179 WeakPolarHBondContact CA-OD2 3.24Å; H175-D179 PolarHBondContact N-OD2 2.85Å
176S93.1Very high92.1Very high44 Ų4457.1 Ų57.131%0.30829%0.291SS..SBendtrans-139.3166.2177.688.50000112.5F121 A178 D179F121-S176 VanDerWaalsContact CE2-O 3.3Å; F121-S176 WeakPolarHBondContact CE2-O 3.33Å; S176-A178 PolarHBondContact O-N 2.72Å; S176-A178 WeakPolarHBondContact OG-CB 3.25Å; S176-A178 PolarHBondContact OG-N 3.11Å; S176-D179 PolarHBondContact N-OD2 2.93Å; S176-D179 WeakPolarHBondContact O-CB 3.23Å; S176-D179 PolarHBondContact O-N 2.87Å; S176-D179 PolarHBondContact OG-N 2.85Å; S176-D179 PolarHBondContact OG-OD1 3.35Å
177Q90.4Very high92.6Very high125 Ų12557 Ų5758%0.58429%0.29SS*.SBendtrans-67-23.1169.766.6176.7-0.900113.3F121 D179 L180F121-Q177 HydrophobicContact CD2-CB 4.23Å; Q177-D179 VanDerWaalsContact C-N 3.31Å; Q177-D179 PolarHBondContact O-N 3.29Å; Q177-L180 WeakPolarHBondContact O-CB 3.42Å; Q177-L180 PolarHBondContact O-N 2.86Å
178A91.4Very high92.9Very high67 Ų6755.7 Ų55.755%0.55429%0.287SS*.THydrogen-bonded Turntrans-70.7-29.6-18000000112S176 L180 H181S176-A178 PolarHBondContact O-N 2.72Å; S176-A178 WeakPolarHBondContact OG-CB 3.25Å; S176-A178 PolarHBondContact OG-N 3.11Å; A178-L180 PolarHBondContact O-N 3.36Å; A178-L180 VanDerWaalsContact O-N 3.09Å; A178-H181 VanDerWaalsContact O-CB 3.25Å; A178-H181 WeakPolarHBondContact O-CB 3.33Å; A178-H181 PolarHBondContact O-N 2.84Å
179D94.8Very high93Very high46 Ų4650.9 Ų50.925%0.24627%0.268CS..Hα-helixtrans-56.4-29.1178.4-52.6-0.4000111.9L174 H175 S176 Q177 H181 H182 I183L174-D179 HydrophobicContact CD2-CB 3.76Å; H175-D179 WeakPolarHBondContact CA-OD2 3.24Å; H175-D179 PolarHBondContact N-OD2 2.85Å; S176-D179 PolarHBondContact N-OD2 2.93Å; S176-D179 WeakPolarHBondContact O-CB 3.23Å; S176-D179 PolarHBondContact O-N 2.87Å; S176-D179 PolarHBondContact OG-N 2.85Å; S176-D179 PolarHBondContact OG-OD1 3.35Å; Q177-D179 VanDerWaalsContact C-N 3.31Å; Q177-D179 PolarHBondContact O-N 3.29Å; D179-H181 PolarHBondContact O-N 3.25Å; D179-H182 WeakPolarHBondContact O-CB 3.47Å; D179-H182 PolarHBondContact O-N 2.84Å; D179-I183 WeakPolarHBondContact O-CG1 3.38Å; D179-I183 PolarHBondContact O-N 3.38Å; D179-I183 VanDerWaalsContact O-N 3.14Å
180L93.5Very high93Very high1 Ų151.8 Ų51.81%0.00527%0.273CS..Hα-helixtrans-56.1-32.6174.8-17962.3000113P102 L113 P114 L117 Q177 A178 I183 L184P102-L180 HydrophobicContact CG-CD2 4.42Å; L113-L180 HydrophobicContact CD1-CD1 4.44Å; L113-L180 HydrophobicContact CD2-CD1 4.13Å; L113-L180 HydrophobicContact CG-CD1 4.1Å; L113-L180 HydrophobicContact CG-CD2 4.18Å; P114-L180 HydrophobicContact CB-CD2 3.91Å; L117-L180 HydrophobicContact CB-CD2 4.43Å; L117-L180 HydrophobicContact CD2-CB 3.59Å; L117-L180 HydrophobicContact CD2-CD1 4.31Å; L117-L180 HydrophobicContact CD2-CD2 3.82Å; L117-L180 HydrophobicContact CD2-CG 4.1Å; Q177-L180 WeakPolarHBondContact O-CB 3.42Å; Q177-L180 PolarHBondContact O-N 2.86Å; A178-L180 PolarHBondContact O-N 3.36Å; A178-L180 VanDerWaalsContact O-N 3.09Å; L180-I183 PolarHBondContact O-N 2.77Å; L180-L184 HydrophobicContact CD1-CD1 3.95Å; L180-L184 HydrophobicContact CD1-CG 4Å; L180-L184 HydrophobicContact CD2-CD1 4.37Å; L180-L184 HydrophobicContact CG-CD1 3.86Å; L180-L184 HydrophobicContact CG-CG 4.33Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 PolarHBondContact O-N 3.19Å
181H92.1Very high92.5Very high63 Ų6351 Ų5129%0.29227%0.265SS..Hα-helixtrans-57.8-51.2174-170.2-70.3000110.6G103 A178 D179 I183 L184 E185G103-H181 PolarHBondContact N-CD2 3.44Å; A178-H181 VanDerWaalsContact O-CB 3.25Å; A178-H181 WeakPolarHBondContact O-CB 3.33Å; A178-H181 PolarHBondContact O-N 2.84Å; D179-H181 PolarHBondContact O-N 3.25Å; H181-I183 VanDerWaalsContact C-N 3.34Å; H181-I183 PolarHBondContact O-N 3.01Å; H181-L184 PolarHBondContact O-N 3.46Å; H181-E185 IonicContact CE1-OE2 2.7Å; H181-E185 IonicContact ND1-OE2 3.89Å; H181-E185 VanDerWaalsContact O-CB 3.22Å; H181-E185 WeakPolarHBondContact O-CB 3.29Å; H181-E185 PolarHBondContact O-N 3.47Å
182H93.5Very high91.2Very high106 Ų10658.2 Ų58.249%0.49129%0.286SS..Hα-helixtrans-61.6-42179.8-176.682.9000111.6D179 L186D179-H182 WeakPolarHBondContact O-CB 3.47Å; D179-H182 PolarHBondContact O-N 2.84Å; H182-L186 WeakPolarHBondContact O-CB 3.38Å; H182-L186 PolarHBondContact O-N 3.14Å
183I95.2Very high89.5Confident4 Ų460.8 Ų60.82%0.02130%0.304CS..Hα-helixtrans-61.6-48.5176.9-59.4-58.1000112A139 L153 L172 L174 D179 L180 H181 G187A139-I183 HydrophobicContact CB-CG1 4.21Å; A139-I183 HydrophobicContact CB-CG2 3.94Å; L153-I183 HydrophobicContact CD1-CD1 4.28Å; L153-I183 HydrophobicContact CD1-CG2 4.03Å; L153-I183 HydrophobicContact CD2-CG2 4.03Å; L172-I183 HydrophobicContact CB-CD1 3.83Å; L172-I183 HydrophobicContact CD1-CD1 3.67Å; L172-I183 HydrophobicContact CG-CD1 4.3Å; L174-I183 HydrophobicContact CD2-CD1 4.4Å; L174-I183 HydrophobicContact CD2-CG1 3.85Å; D179-I183 WeakPolarHBondContact O-CG1 3.38Å; D179-I183 PolarHBondContact O-N 3.38Å; D179-I183 VanDerWaalsContact O-N 3.14Å; L180-I183 PolarHBondContact O-N 2.77Å; H181-I183 VanDerWaalsContact C-N 3.34Å; H181-I183 PolarHBondContact O-N 3.01Å; I183-G187 PolarHBondContact O-N 2.93Å
184L93.5Very high87.9Confident0 Ų059.1 Ų59.10%029%0.289CS..Hα-helixtrans-70.5-38.5-178.4-76.5173.4000112.1P101 L113 F141 L180 H181 T188 V209P101-L184 HydrophobicContact CG-CB 4.36Å; L113-L184 HydrophobicContact CD2-CD1 4.04Å; L113-L184 HydrophobicContact CD2-CD2 3.84Å; L113-L184 HydrophobicContact CD2-CG 4.32Å; F141-L184 HydrophobicContact CE1-CD2 3.93Å; F141-L184 HydrophobicContact CZ-CD2 4.45Å; L180-L184 HydrophobicContact CD1-CD1 3.95Å; L180-L184 HydrophobicContact CD1-CG 4Å; L180-L184 HydrophobicContact CD2-CD1 4.37Å; L180-L184 HydrophobicContact CG-CD1 3.86Å; L180-L184 HydrophobicContact CG-CG 4.33Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 PolarHBondContact O-N 3.19Å; H181-L184 PolarHBondContact O-N 3.46Å; L184-T188 WeakPolarHBondContact O-CB 3.45Å; L184-T188 PolarHBondContact O-N 3.14Å; L184-T188 PolarHBondContact O-OG1 3.24Å; L184-V209 HydrophobicContact CD2-CG2 4.16Å
185E91.9Very high85.7Confident72 Ų7264.3 Ų64.334%0.33632%0.324SS..Hα-helixtrans-67.9-49.7177.1-162.9-152.5147.800111.1P101 H181 G187 T188 R189P101-E185 HydrophobicContact CG-CB 4.3Å; H181-E185 IonicContact CE1-OE2 2.7Å; H181-E185 IonicContact ND1-OE2 3.89Å; H181-E185 VanDerWaalsContact O-CB 3.22Å; H181-E185 WeakPolarHBondContact O-CB 3.29Å; H181-E185 PolarHBondContact O-N 3.47Å; E185-G187 PolarHBondContact O-N 3.04Å; E185-T188 PolarHBondContact O-N 3.46Å; E185-R189 VanDerWaalsContact O-CB 3.3Å; E185-R189 WeakPolarHBondContact O-CB 3.41Å; E185-R189 PolarHBondContact O-N 3.45Å; E185-R189 IonicContact OE1-CZ 3.68Å; E185-R189 IonicContact OE1-NE 3.59Å; E185-R189 IonicContact OE1-NH2 2.68Å; E185-R189 PolarHBondContact OE1-NH2 3.23Å; E185-R189 IonicContact OE2-NH2 3.8Å
186L92.5Very high83.7Confident31 Ų3159.2 Ų59.216%0.16230%0.303CS..Hα-helixtrans-57.2-48.4175.5175.860.7000111.2L153 H182 R189 N190L153-L186 HydrophobicContact CD2-CD2 4.16Å; L153-L186 HydrophobicContact CD2-CG 4.4Å; H182-L186 WeakPolarHBondContact O-CB 3.38Å; H182-L186 PolarHBondContact O-N 3.14Å; L186-R189 PolarHBondContact O-N 3.36Å; L186-N190 WeakPolarHBondContact O-CB 3.16Å; L186-N190 PolarHBondContact O-N 3.42Å
187G92.1Very high81.4Confident0 Ų065.4 Ų65.40%033%0.333CS..Hα-helixtrans-63.9-41.8178.800000112.6I183 E185 N190 R191I183-G187 PolarHBondContact O-N 2.93Å; E185-G187 PolarHBondContact O-N 3.04Å; G187-N190 PolarHBondContact O-N 2.73Å; G187-R191 VanDerWaalsContact O-CB 3.24Å; G187-R191 WeakPolarHBondContact O-CB 3.43Å; G187-R191 PolarHBondContact O-N 3.19Å
188T87.5Confident79.1Confident30 Ų3066.4 Ų66.418%0.18434%0.34CS..Hα-helixtrans-65.4-39.8176.1-63.80000111.9L184 E185 R191 R192L184-T188 WeakPolarHBondContact O-CB 3.45Å; L184-T188 PolarHBondContact O-N 3.14Å; L184-T188 PolarHBondContact O-OG1 3.24Å; E185-T188 PolarHBondContact O-N 3.46Å; T188-R191 PolarHBondContact O-N 2.89Å; T188-R192 WeakPolarHBondContact O-CG 3.44Å; T188-R192 PolarHBondContact O-N 2.99Å
189R88.1Confident77.1Confident109 Ų10966.4 Ų66.441%0.41133%0.33SS..Hα-helixtrans-60.8-51.4174.8-159.5-173.8-53.8122.4-3.9110.2E185 L186 R191 R192 V193E185-R189 VanDerWaalsContact O-CB 3.3Å; E185-R189 WeakPolarHBondContact O-CB 3.41Å; E185-R189 PolarHBondContact O-N 3.45Å; E185-R189 IonicContact OE1-CZ 3.68Å; E185-R189 IonicContact OE1-NE 3.59Å; E185-R189 IonicContact OE1-NH2 2.68Å; E185-R189 PolarHBondContact OE1-NH2 3.23Å; E185-R189 IonicContact OE2-NH2 3.8Å; L186-R189 PolarHBondContact O-N 3.36Å; R189-R191 VanDerWaalsContact C-N 3.31Å; R189-R191 PolarHBondContact O-N 3.03Å; R189-R192 PolarHBondContact O-N 3.07Å; R189-R192 VanDerWaalsContact O-N 3.12Å; R189-V193 WeakPolarHBondContact O-CG2 3.44Å; R189-V193 PolarHBondContact O-N 3.15Å; R189-V193 VanDerWaalsContact O-N 3.09Å
190N90.1Very high75.2Confident33 Ų3368.1 Ų68.118%0.17635%0.346CS..Hα-helixtrans-62.9-34.5177.8-73.7-16.7000112.9L152 P157 L186 G187 V193L152-N190 HydrophobicContact CD2-CB 4.22Å; L152-N190 PolarHBondContact O-ND2 2.68Å; P157-N190 HydrophobicContact CB-CB 3.9Å; P157-N190 HydrophobicContact CG-CB 4.05Å; L186-N190 WeakPolarHBondContact O-CB 3.16Å; L186-N190 PolarHBondContact O-N 3.42Å; G187-N190 PolarHBondContact O-N 2.73Å; N190-V193 PolarHBondContact O-N 2.63Å
191R84.6Confident73.5Confident24 Ų2469.1 Ų69.19%0.09135%0.351CS..Hα-helixtrans-65.2-36.4173.5-166.8176.1-174.5-165.70.7112.8E143 L152 G187 T188 R189 S202 S205E143-R191 VanDerWaalsContact OE1-CG 3.25Å; E143-R191 WeakPolarHBondContact OE1-CG 3.03Å; E143-R191 IonicContact OE1-NE 2.67Å; E143-R191 PolarHBondContact OE1-NE 2.86Å; E143-R191 VanDerWaalsContact OE1-NE 3.09Å; L152-R191 HydrophobicContact CD1-CB 4.2Å; L152-R191 HydrophobicContact CD2-CB 4.26Å; G187-R191 VanDerWaalsContact O-CB 3.24Å; G187-R191 WeakPolarHBondContact O-CB 3.43Å; G187-R191 PolarHBondContact O-N 3.19Å; T188-R191 PolarHBondContact O-N 2.89Å; R189-R191 VanDerWaalsContact C-N 3.31Å; R189-R191 PolarHBondContact O-N 3.03Å; R191-S202 PolarHBondContact NH2-O 3.3Å; R191-S205 PolarHBondContact NE-OG 2.84Å; R191-S205 PolarHBondContact NH2-O 2.84Å; R191-S205 PolarHBondContact NH2-OG 2.89Å
192R67.8Low72.3Confident192 Ų19269.7 Ų69.773%0.72536%0.362SS*.Hα-helixtrans-76-29.1176.7-70.1177.6-168.9-175.38113.3T188 R189 R194T188-R192 WeakPolarHBondContact O-CG 3.44Å; T188-R192 PolarHBondContact O-N 2.99Å; R189-R192 PolarHBondContact O-N 3.07Å; R189-R192 VanDerWaalsContact O-N 3.12Å; R192-R194 VanDerWaalsContact C-N 3.31Å; R192-R194 PolarHBondContact O-N 3.41Å
193V60.4Low71.2Confident105 Ų10565.8 Ų65.864%0.63635%0.347SS*.Hα-helixtrans-71.4-17.6-175.2165.80000113.9R189 N190 P195R189-V193 WeakPolarHBondContact O-CG2 3.44Å; R189-V193 PolarHBondContact O-N 3.15Å; R189-V193 VanDerWaalsContact O-N 3.09Å; N190-V193 PolarHBondContact O-N 2.63Å; V193-P195 VanDerWaalsContact O-CD 3.31Å; V193-P195 WeakPolarHBondContact O-CD 3.22Å
194R62.6Low70.2Confident27 Ų2767.8 Ų67.810%0.10235%0.354CS..SBendtrans-67.8119.5178.6-167.8-179.8-56106.613.2111.1E143 R192 T196E143-R194 IonicContact OE1-NH1 2.83Å; E143-R194 IonicContact OE2-CZ 2.73Å; E143-R194 IonicContact OE2-NH1 2.8Å; E143-R194 PolarHBondContact OE2-NH1 2.93Å; E143-R194 IonicContact OE2-NH2 2.63Å; E143-R194 PolarHBondContact OE2-NH2 2.8Å; R192-R194 VanDerWaalsContact C-N 3.31Å; R192-R194 PolarHBondContact O-N 3.41Å; R194-T196 PolarHBondContact O-N 3.33Å; R194-T196 VanDerWaalsContact O-N 3.14Å
195P50.9Low69.9Low116 Ų11667.8 Ų67.875%0.75335%0.354SS*.  trans-75.1107.1-175.929.5-34.5000111.7V193V193-P195 VanDerWaalsContact O-CD 3.31Å; V193-P195 WeakPolarHBondContact O-CD 3.22Å
196T51.7Low69.8Low48 Ų4864.7 Ų64.729%0.29434%0.34SS..  trans-135.8105.4171.146.20000109.7Y145 R194 M198 N201Y145-T196 HydrophobicContact CE1-CG2 4.25Å; R194-T196 PolarHBondContact O-N 3.33Å; R194-T196 VanDerWaalsContact O-N 3.14Å; T196-M198 PolarHBondContact O-N 3.01Å; T196-N201 VanDerWaalsContact OG1-CG 3.29Å; T196-N201 PolarHBondContact OG1-ND2 3.31Å; T196-N201 PolarHBondContact OG1-OD1 2.78Å
197N44.6Very low69.9Low174 Ų17463.2 Ų63.293%0.9333%0.332SS*.THydrogen-bonded Turntrans-65.812-158.3-111.99.6000118.4
198M42.2Very low70.1Confident147 Ų14763.3 Ų63.372%0.72433%0.332SS*.THydrogen-bonded Turntrans-148.6-10.6-161.4-95.4-175.868.500120.3T196T196-M198 PolarHBondContact O-N 3.01Å
199N50.2Low70.5Confident66 Ų6661.9 Ų61.935%0.35332%0.323SS..SBendtrans-149.7163.4-174.4-73.9-81.2000114.3N201 R204N199-N201 PolarHBondContact O-N 2.91Å; N199-N201 VanDerWaalsContact O-N 3.08Å; N199-N201 PolarHBondContact O-OD1 3.15Å; N199-R204 VanDerWaalsContact CG-NH1 3.28Å; N199-R204 PolarHBondContact ND2-NH1 3.13Å; N199-R204 VanDerWaalsContact ND2-NH1 3.12Å; N199-R204 PolarHBondContact OD1-NH1 2.87Å; N199-R204 PolarHBondContact OD1-NH2 3.48Å
200S54.8Low71Confident82 Ų8256.9 Ų56.957%0.57331%0.305SS*.  trans-76.385.3168.346.10000111.1S202 S203S200-S202 PolarHBondContact O-N 2.93Å; S200-S203 PolarHBondContact O-N 3.02Å; S200-S203 VanDerWaalsContact O-N 3.09Å; S200-S203 PolarHBondContact O-OG 3.14Å
201N58.2Low71.3Confident23 Ų2355.4 Ų55.412%0.12330%0.297CS..G310 helixtrans-46-34.5-173.2-72.53.1000115.4T196 N199 S203 R204 S205T196-N201 VanDerWaalsContact OG1-CG 3.29Å; T196-N201 PolarHBondContact OG1-ND2 3.31Å; T196-N201 PolarHBondContact OG1-OD1 2.78Å; N199-N201 PolarHBondContact O-N 2.91Å; N199-N201 VanDerWaalsContact O-N 3.08Å; N199-N201 PolarHBondContact O-OD1 3.15Å; N201-S203 PolarHBondContact O-N 2.86Å; N201-R204 PolarHBondContact O-N 2.93Å; N201-S205 PolarHBondContact O-N 2.83Å; N201-S205 PolarHBondContact O-OG 3Å
202S66Low71.9Confident74 Ų7454.8 Ų54.852%0.51730%0.295SS..G310 helixtrans-55.9-23.2-178.950.50000114.4R191 S200R191-S202 PolarHBondContact NH2-O 3.3Å; S200-S202 PolarHBondContact O-N 2.93Å
203S70Confident73.2Confident24 Ų2446 Ų4617%0.16826%0.263CS..G310 helixtrans-80.9-24.8176.2600000114.8S200 N201 A228 G229S200-S203 PolarHBondContact O-N 3.02Å; S200-S203 VanDerWaalsContact O-N 3.09Å; S200-S203 PolarHBondContact O-OG 3.14Å; N201-S203 PolarHBondContact O-N 2.86Å; S203-A228 WeakPolarHBondContact O-CA 3.46Å; S203-A228 WeakPolarHBondContact O-CB 3.39Å; S203-G229 PolarHBondContact O-N 3.45Å
204R75.5Confident74.8Confident47 Ų4743.6 Ų43.618%0.17724%0.244CC..THydrogen-bonded Turntrans-116.63.7-170-62.4-163.9-166.1141.617.3115.2N199 N201 E245 I249N199-R204 VanDerWaalsContact CG-NH1 3.28Å; N199-R204 PolarHBondContact ND2-NH1 3.13Å; N199-R204 VanDerWaalsContact ND2-NH1 3.12Å; N199-R204 PolarHBondContact OD1-NH1 2.87Å; N199-R204 PolarHBondContact OD1-NH2 3.48Å; N201-R204 PolarHBondContact O-N 2.93Å; R204-E245 WeakPolarHBondContact CD-OE2 3.37Å; R204-E245 IonicContact CZ-OE2 3.81Å; R204-E245 IonicContact NE-OE2 3.17Å; R204-E245 IonicContact NH1-OE2 3.85Å; R204-E245 PolarHBondContact NH1-OE2 2.68Å; R204-I249 HydrophobicContact CB-CD1 4.37Å
205S86.1Confident76.2Confident0 Ų044 Ų440%025%0.252CS..SBendtrans-119144169.860.60000111E143 I144 R191 N201E143-S205 WeakPolarHBondContact OE1-CB 3.33Å; E143-S205 PolarHBondContact OE1-OG 3.45Å; I144-S205 CarbonylContact O-C 3.51Å; I144-S205 VanDerWaalsContact O-CA 3.29Å; I144-S205 WeakPolarHBondContact O-CA 3.39Å; I144-S205 WeakPolarHBondContact O-CB 3.27Å; R191-S205 PolarHBondContact NE-OG 2.84Å; R191-S205 PolarHBondContact NH2-O 2.84Å; R191-S205 PolarHBondContact NH2-OG 2.89Å; N201-S205 PolarHBondContact O-N 2.83Å; N201-S205 PolarHBondContact O-OG 3Å
206H90.7Very high77.9Confident7 Ų746.1 Ų46.13%0.03225%0.249CC..EExtended strand (participates in β ladder)trans-81.2138.1174.5-47.1-99.1000108.7E143 I144 D226 L227 A228E143-H206 CarbonylContact C-O 3.6Å; E143-H206 WeakPolarHBondContact CA-O 3.02Å; I144-H206 HydrophobicContact CB-CB 4.28Å; I144-H206 PolarHBondContact N-O 3.17Å; I144-H206 PolarHBondContact O-N 2.75Å; H206-D226 CarbonylContact C-O 3.59Å; H206-D226 WeakPolarHBondContact CA-O 3.38Å; H206-L227 HydrophobicContact CB-CD2 4.12Å; H206-L227 WeakPolarHBondContact ND1-CA 3.49Å; H206-L227 WeakPolarHBondContact ND1-CB 3.46Å; H206-L227 WeakPolarHBondContact ND1-CD2 3.27Å; H206-A228 PolarHBondContact ND1-N 2.86Å
207A93.4Very high79.6Confident0 Ų048.8 Ų48.80%027%0.265CS..EExtended strand (participates in β ladder)trans-114.7129.9177.200000109.8M99 F141 V225 D226M99-A207 HydrophobicContact CE-CB 3.73Å; F141-A207 HydrophobicContact CE2-CB 4.06Å; A207-V225 CarbonylContact O-C 3.53Å; A207-V225 WeakPolarHBondContact O-CA 3.48Å; A207-D226 HydrophobicContact CB-CB 4.38Å; A207-D226 PolarHBondContact N-O 2.87Å; A207-D226 PolarHBondContact O-N 3Å
208I96Very high81.7Confident1 Ų146.4 Ų46.41%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-125.1111.1-178.2-61.4167.3000107.5F141 I142 I144 V225 L277 V280 L281F141-I208 WeakPolarHBondContact CA-O 3.1Å; I142-I208 HydrophobicContact CB-CB 4.35Å; I142-I208 PolarHBondContact N-O 3Å; I142-I208 PolarHBondContact O-N 3.48Å; I144-I208 HydrophobicContact CD1-CD1 3.65Å; I144-I208 HydrophobicContact CG1-CD1 4.28Å; I208-V225 HydrophobicContact CB-CG2 4.49Å; I208-V225 HydrophobicContact CG1-CB 4.47Å; I208-V225 HydrophobicContact CG1-CG1 3.84Å; I208-V225 HydrophobicContact CG1-CG2 4.05Å; I208-V225 HydrophobicContact CG2-CG2 4.21Å; I208-L277 HydrophobicContact CD1-CD1 3.88Å; I208-V280 HydrophobicContact CD1-CB 4.26Å; I208-V280 HydrophobicContact CD1-CG1 3.72Å; I208-L281 HydrophobicContact CG2-CD2 4.42Å
209V97Very high84.1Confident0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-102.6120.6164.7176.60000107.8M99 L113 S140 F141 L184 I211 I224M99-V209 HydrophobicContact CE-CG2 3.88Å; L113-V209 HydrophobicContact CD1-CB 4.35Å; L113-V209 HydrophobicContact CD1-CG1 3.82Å; L113-V209 HydrophobicContact CD2-CB 3.96Å; L113-V209 HydrophobicContact CD2-CG1 3.88Å; L113-V209 HydrophobicContact CD2-CG2 4.03Å; S140-V209 WeakPolarHBondContact O-CA 3.38Å; F141-V209 HydrophobicContact CB-CG2 4.38Å; F141-V209 HydrophobicContact CD1-CG2 4.01Å; F141-V209 HydrophobicContact CD2-CG2 3.59Å; F141-V209 HydrophobicContact CE1-CG2 4.19Å; F141-V209 HydrophobicContact CE2-CG2 3.8Å; F141-V209 HydrophobicContact CG-CG2 3.73Å; F141-V209 HydrophobicContact CZ-CG2 4.1Å; L184-V209 HydrophobicContact CD2-CG2 4.16Å; V209-I211 HydrophobicContact CG1-CD1 4.26Å; V209-I224 PolarHBondContact N-O 3.18Å; V209-I224 PolarHBondContact O-N 3.39Å
210T97.5Very high86.2Confident5 Ų539.3 Ų39.33%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-107116.2175.5-53.70000109.4A139 S140 H212 R221 M222 N223A139-T210 WeakPolarHBondContact CA-O 3.33Å; S140-T210 PolarHBondContact N-O 3.01Å; S140-T210 PolarHBondContact O-N 3.23Å; T210-H212 WeakPolarHBondContact CB-NE2 3.33Å; T210-H212 PolarHBondContact O-CD2 2.8Å; T210-H212 VanDerWaalsContact O-CD2 3.23Å; T210-H212 PolarHBondContact O-NE2 3.26Å; T210-R221 HydrophobicContact CG2-CB 3.86Å; T210-R221 HydrophobicContact CG2-CG 4.41Å; T210-M222 WeakPolarHBondContact CA-O 3.39Å; T210-N223 WeakPolarHBondContact CB-OD1 3.31Å; T210-N223 WeakPolarHBondContact CG2-OD1 3.41Å; T210-N223 PolarHBondContact OG1-OD1 3.41Å
211I97.6Very high88.2Confident1 Ų137.5 Ų37.51%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-82.4121.4164.3-54.4-54.7000107.7L113 L117 I120 V137 Y138 A139 L174 V209 R221 M222L113-I211 HydrophobicContact CD1-CD1 4.09Å; L113-I211 HydrophobicContact CD1-CG1 4.05Å; L117-I211 HydrophobicContact CD1-CD1 4.24Å; L117-I211 HydrophobicContact CD1-CG2 4.12Å; I120-I211 HydrophobicContact CD1-CG2 3.91Å; V137-I211 HydrophobicContact CG1-CG2 3.81Å; Y138-I211 WeakPolarHBondContact O-CA 3.11Å; A139-I211 HydrophobicContact CB-CD1 4.2Å; L174-I211 HydrophobicContact CD1-CD1 4.18Å; V209-I211 HydrophobicContact CG1-CD1 4.26Å; I211-R221 CarbonylContact O-C 3.59Å; I211-R221 WeakPolarHBondContact O-CA 3.22Å; I211-M222 PolarHBondContact N-O 3.32Å; I211-M222 PolarHBondContact O-N 3.25Å
212H96.9Very high90Very high11 Ų1136.5 Ų36.55%0.05119%0.186CC..EExtended strand (participates in β ladder)trans-105.3125.6179-57.1-93.5000109.1V137 Y138 S140 T210 H219V137-H212 CarbonylContact C-O 3.52Å; V137-H212 WeakPolarHBondContact CA-O 3.49Å; Y138-H212 PolarHBondContact N-O 2.92Å; Y138-H212 PolarHBondContact O-N 2.81Å; S140-H212 WeakPolarHBondContact CB-NE2 3.44Å; S140-H212 PolarHBondContact N-NE2 2.83Å; S140-H212 PolarHBondContact OG-NE2 2.89Å; T210-H212 WeakPolarHBondContact CB-NE2 3.33Å; T210-H212 PolarHBondContact O-CD2 2.8Å; T210-H212 VanDerWaalsContact O-CD2 3.23Å; T210-H212 PolarHBondContact O-NE2 3.26Å; H212-H219 WeakPolarHBondContact CB-NE2 3.38Å; H212-H219 AromaticContact CG-NE2 3.58Å; H212-H219 AromaticContact ND1-CE1 3.56Å; H212-H219 AromaticContact ND1-NE2 3Å; H212-H219 PolarHBondContact ND1-NE2 2.87Å
213V95.6Very high91.6Very high9 Ų933.2 Ų33.26%0.05516%0.163CC..EExtended strand (participates in β ladder)trans-108.1120.3171.3-178.50000107.4L75 L76 I120 I135 H219 S220L75-V213 HydrophobicContact CD2-CG2 3.79Å; L75-V213 HydrophobicContact CG-CG2 4.14Å; L76-V213 HydrophobicContact CD2-CG1 4.28Å; I120-V213 HydrophobicContact CG2-CG2 4.04Å; I135-V213 HydrophobicContact CG2-CG1 3.48Å; I135-V213 VanDerWaalsContact CG2-CG1 3.48Å; V213-H219 WeakPolarHBondContact O-CA 3.25Å; V213-S220 PolarHBondContact N-O 2.86Å; V213-S220 PolarHBondContact O-N 3.27Å
214K94.3Very high92.9Very high53 Ų5332.1 Ų32.123%0.2316%0.155CC..EExtended strand (participates in β ladder)trans-120.4137.1-178.6-58.5-177.8-1611450110.6I135 Q136 Y138 H218I135-K214 CarbonylContact C-O 3.46Å; I135-K214 WeakPolarHBondContact CA-O 3.23Å; Q136-K214 PolarHBondContact N-O 2.84Å; Q136-K214 PolarHBondContact O-N 2.87Å; Y138-K214 HydrophobicContact CD2-CD 3.88Å; Y138-K214 HydrophobicContact CD2-CG 4.22Å; Y138-K214 HydrophobicContact CE2-CB 4.34Å; Y138-K214 HydrophobicContact CE2-CD 3.53Å; Y138-K214 HydrophobicContact CE2-CG 4.09Å; K214-H218 WeakPolarHBondContact CA-O 3.38Å
215S90.2Very high93.9Very high37 Ų3729.9 Ų29.926%0.25915%0.147SC..  trans-117.2-176.2160.175.40000109.3T217 H218S215-T217 PolarHBondContact O-N 3.12Å; S215-T217 VanDerWaalsContact O-N 3.11Å; S215-T217 PolarHBondContact OG-N 2.88Å; S215-T217 PolarHBondContact OG-OG1 3.03Å; S215-H218 PolarHBondContact N-O 3.04Å; S215-H218 PolarHBondContact OG-N 3.08Å; S215-H218 VanDerWaalsContact OG-N 3.12Å
216K87.6Confident94.3Very high160 Ų16030 Ų3070%0.69615%0.148SC*.SBendtrans-55.2-25.7173-60178.2-168.7153.60113.8D133D133-K216 VanDerWaalsContact OD1-CD 3.3Å; D133-K216 WeakPolarHBondContact OD1-CD 3.41Å; D133-K216 WeakPolarHBondContact OD1-CE 3.35Å; D133-K216 IonicContact OD1-NZ 2.6Å; D133-K216 PolarHBondContact OD1-NZ 3.37Å
217T86.5Confident94.3Very high103 Ų10329.9 Ų29.963%0.63215%0.147SC*.SBendtrans-125.5-19.2-168.348.70000114.5S215S215-T217 PolarHBondContact O-N 3.12Å; S215-T217 VanDerWaalsContact O-N 3.11Å; S215-T217 PolarHBondContact OG-N 2.88Å; S215-T217 PolarHBondContact OG-OG1 3.03Å
218H89.2Confident94Very high125 Ų12530.1 Ų30.158%0.57915%0.149SC*.  trans-130.4145-174.9-65.4-76.5000112.6K214 S215K214-H218 WeakPolarHBondContact CA-O 3.38Å; S215-H218 PolarHBondContact N-O 3.04Å; S215-H218 PolarHBondContact OG-N 3.08Å; S215-H218 VanDerWaalsContact OG-N 3.12Å
219H93.1Very high93.4Very high60 Ų6030.1 Ų30.128%0.27815%0.15SC..EExtended strand (participates in β ladder)trans-130.199.1170.4-178.6-169.9000109.1Q80 H212 V213 R221Q80-H219 PolarHBondContact NE2-O 3.07Å; H212-H219 WeakPolarHBondContact CB-NE2 3.38Å; H212-H219 AromaticContact CG-NE2 3.58Å; H212-H219 AromaticContact ND1-CE1 3.56Å; H212-H219 AromaticContact ND1-NE2 3Å; H212-H219 PolarHBondContact ND1-NE2 2.87Å; V213-H219 WeakPolarHBondContact O-CA 3.25Å; H219-R221 PolarHBondContact CE1-NE 2.9Å; H219-R221 PolarHBondContact CE1-NH2 2.95Å; H219-R221 PolarHBondContact ND1-NE 3.3Å; H219-R221 PolarHBondContact ND1-NH2 3.28Å; H219-R221 PolarHBondContact NE2-NE 2.82Å
220S94.5Very high92.5Very high4 Ų430.7 Ų30.73%0.02815%0.154CC..EExtended strand (participates in β ladder)trans-97.8155.8171.461.70000110.9L75 F79 V213L75-S220 VanDerWaalsContact O-CB 3.27Å; L75-S220 WeakPolarHBondContact O-CB 3.49Å; L75-S220 PolarHBondContact O-OG 3.12Å; F79-S220 WeakPolarHBondContact O-CB 3.3Å; V213-S220 PolarHBondContact N-O 2.86Å; V213-S220 PolarHBondContact O-N 3.27Å
221R95.9Very high91.3Very high43 Ų4332.5 Ų32.516%0.16216%0.162CC..EExtended strand (participates in β ladder)trans-142.6131-171.2-54.2178.5-169.3-173.30.5109.7L75 Q80 C81 T210 I211 H219L75-R221 VanDerWaalsContact CD1-N 3.34Å; Q80-R221 VanDerWaalsContact OE1-CB 3.31Å; Q80-R221 VanDerWaalsContact OE1-CG 3.31Å; C81-R221 PolarHBondContact N-O 3.46Å; C81-R221 VanDerWaalsContact O-O 3.13Å; T210-R221 HydrophobicContact CG2-CB 3.86Å; T210-R221 HydrophobicContact CG2-CG 4.41Å; I211-R221 CarbonylContact O-C 3.59Å; I211-R221 WeakPolarHBondContact O-CA 3.22Å; H219-R221 PolarHBondContact CE1-NE 2.9Å; H219-R221 PolarHBondContact CE1-NH2 2.95Å; H219-R221 PolarHBondContact ND1-NE 3.3Å; H219-R221 PolarHBondContact ND1-NH2 3.28Å; H219-R221 PolarHBondContact NE2-NE 2.82Å
222M97.4Very high89.5Confident2 Ų233.3 Ų33.31%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-109.8109.6167.5178.7170.8-73.900108.2I68 L71 V72 L75 C81 A116 T210 I211 I224I68-M222 HydrophobicContact CG2-SD 4.46Å; L71-M222 HydrophobicContact CB-CE 3.75Å; V72-M222 HydrophobicContact CG2-CE 3.93Å; L75-M222 HydrophobicContact CB-CE 4.34Å; L75-M222 HydrophobicContact CD1-CB 3.92Å; L75-M222 HydrophobicContact CD2-CB 3.82Å; L75-M222 HydrophobicContact CD2-CE 4.36Å; L75-M222 HydrophobicContact CG-CB 4.42Å; C81-M222 HydrophobicContact CB-CB 4.41Å; C81-M222 HydrophobicContact CB-CE 4.14Å; C81-M222 HydrophobicContact CB-CG 4.43Å; C81-M222 WeakPolarHBondContact O-CA 3.48Å; A116-M222 HydrophobicContact CB-SD 4.02Å; T210-M222 WeakPolarHBondContact CA-O 3.39Å; I211-M222 PolarHBondContact N-O 3.32Å; I211-M222 PolarHBondContact O-N 3.25Å; M222-I224 HydrophobicContact CG-CD1 3.78Å; M222-I224 HydrophobicContact CG-CG1 4.42Å; M222-I224 HydrophobicContact SD-CD1 3.98Å
223N97.7Very high87.7Confident6 Ų634.5 Ų34.53%0.03218%0.178CC..EExtended strand (participates in β ladder)trans-90.6115.9174.6-47.7-78.8000108.7C81 T82 A83 T210 V225 L281 S284C81-N223 PolarHBondContact O-N 2.99Å; C81-N223 PolarHBondContact O-ND2 3.26Å; T82-N223 WeakPolarHBondContact CA-O 3.33Å; T82-N223 HydrophobicContact CG2-CB 4.23Å; T82-N223 PolarHBondContact OG1-ND2 3.47Å; T82-N223 VanDerWaalsContact OG1-ND2 3.12Å; A83-N223 PolarHBondContact N-O 3.17Å; T210-N223 WeakPolarHBondContact CB-OD1 3.31Å; T210-N223 WeakPolarHBondContact CG2-OD1 3.41Å; T210-N223 PolarHBondContact OG1-OD1 3.41Å; N223-V225 HydrophobicContact CB-CG2 4.02Å; N223-L281 HydrophobicContact CB-CD2 3.86Å; N223-S284 WeakPolarHBondContact ND2-CB 3.14Å; N223-S284 PolarHBondContact ND2-OG 2.82Å
224I97.8Very high85.9Confident0 Ų045.4 Ų45.40%022%0.218CC..EExtended strand (participates in β ladder)trans-96118.9167.6-54.9-52.2000107.1A83 M97 I112 L113 V209 M222A83-I224 HydrophobicContact CB-CD1 4.06Å; M97-I224 HydrophobicContact CB-CG2 3.97Å; M97-I224 HydrophobicContact CG-CG2 4.27Å; M97-I224 HydrophobicContact SD-CG2 3.53Å; M97-I224 VanDerWaalsContact SD-CG2 3.53Å; I112-I224 HydrophobicContact CG2-CD1 3.84Å; L113-I224 HydrophobicContact CB-CG1 4.48Å; L113-I224 HydrophobicContact CB-CG2 4.26Å; L113-I224 HydrophobicContact CD1-CB 4.3Å; L113-I224 HydrophobicContact CD1-CG1 3.88Å; V209-I224 PolarHBondContact N-O 3.18Å; V209-I224 PolarHBondContact O-N 3.39Å; M222-I224 HydrophobicContact CG-CD1 3.78Å; M222-I224 HydrophobicContact CG-CG1 4.42Å; M222-I224 HydrophobicContact SD-CD1 3.98Å
225V96.4Very high84.1Confident0 Ų048.4 Ų48.40%023%0.228CC..EExtended strand (participates in β ladder)trans-127.6115-168.5-174.30000110.9A83 L84 A85 A207 I208 N223 L227 L277 L281A83-V225 WeakPolarHBondContact O-CB 3.37Å; A83-V225 PolarHBondContact O-N 2.9Å; L84-V225 HydrophobicContact CD2-CB 3.67Å; L84-V225 HydrophobicContact CD2-CG1 3.59Å; L84-V225 HydrophobicContact CD2-CG2 4.14Å; L84-V225 HydrophobicContact CG-CB 4.34Å; A85-V225 PolarHBondContact N-O 2.89Å; A207-V225 CarbonylContact O-C 3.53Å; A207-V225 WeakPolarHBondContact O-CA 3.48Å; I208-V225 HydrophobicContact CB-CG2 4.49Å; I208-V225 HydrophobicContact CG1-CB 4.47Å; I208-V225 HydrophobicContact CG1-CG1 3.84Å; I208-V225 HydrophobicContact CG1-CG2 4.05Å; I208-V225 HydrophobicContact CG2-CG2 4.21Å; N223-V225 HydrophobicContact CB-CG2 4.02Å; V225-L227 HydrophobicContact CG1-CD2 3.49Å; V225-L227 VanDerWaalsContact CG1-CD2 3.49Å; V225-L227 HydrophobicContact CG1-CG 4.14Å; V225-L277 HydrophobicContact CG1-CD1 4.48Å; V225-L281 HydrophobicContact CG2-CD2 4.25Å
226D94.3Very high82.4Confident4 Ų449.1 Ų49.12%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-98.6101.7171.918037.8000108.2K93 S94 M97 M99 H206 A207K93-D226 WeakPolarHBondContact CB-OD1 3.12Å; S94-D226 WeakPolarHBondContact CA-OD2 3.25Å; S94-D226 WeakPolarHBondContact CB-OD2 3.2Å; S94-D226 PolarHBondContact N-OD1 3.03Å; S94-D226 VanDerWaalsContact N-OD1 3.11Å; S94-D226 VanDerWaalsContact OG-CG 3.3Å; S94-D226 PolarHBondContact OG-OD1 2.91Å; S94-D226 PolarHBondContact OG-OD2 3.11Å; M97-D226 HydrophobicContact CB-CB 4.42Å; M97-D226 HydrophobicContact CG-CB 4.4Å; M99-D226 HydrophobicContact CG-CB 3.76Å; M99-D226 HydrophobicContact SD-CB 4.13Å; H206-D226 CarbonylContact C-O 3.59Å; H206-D226 WeakPolarHBondContact CA-O 3.38Å; A207-D226 HydrophobicContact CB-CB 4.38Å; A207-D226 PolarHBondContact N-O 2.87Å; A207-D226 PolarHBondContact O-N 3Å
227L92.1Very high80.9Confident4 Ų444.2 Ų44.22%0.02123%0.226CC..PPolyproline II helixtrans-76.2156.9179.5-58179000110.8L84 A85 K93 H206 V225 L253 L277L84-L227 HydrophobicContact CD2-CD1 4.1Å; L84-L227 HydrophobicContact CD2-CD2 4.04Å; L84-L227 HydrophobicContact CD2-CG 4.21Å; A85-L227 VanDerWaalsContact O-CB 3.29Å; A85-L227 WeakPolarHBondContact O-CB 3.24Å; A85-L227 WeakPolarHBondContact O-CG 3.41Å; A85-L227 PolarHBondContact O-N 3.37Å; A85-L227 VanDerWaalsContact O-N 3.16Å; K93-L227 WeakPolarHBondContact CE-O 3.11Å; H206-L227 HydrophobicContact CB-CD2 4.12Å; H206-L227 WeakPolarHBondContact ND1-CA 3.49Å; H206-L227 WeakPolarHBondContact ND1-CB 3.46Å; H206-L227 WeakPolarHBondContact ND1-CD2 3.27Å; V225-L227 HydrophobicContact CG1-CD2 3.49Å; V225-L227 VanDerWaalsContact CG1-CD2 3.49Å; V225-L227 HydrophobicContact CG1-CG 4.14Å; L227-L253 HydrophobicContact CD1-CD2 3.46Å; L227-L253 VanDerWaalsContact CD1-CD2 3.46Å; L227-L253 HydrophobicContact CD1-CG 3.98Å; L227-L277 HydrophobicContact CD2-CD1 4.08Å; L227-L277 HydrophobicContact CD2-CD2 3.65Å
228A86.1Confident79.5Confident4 Ų443.4 Ų43.43%0.03322%0.215CC..PPolyproline II helixtrans-60.7165.3170.700000112.7S203 H206 S230 I249S203-A228 WeakPolarHBondContact O-CA 3.46Å; S203-A228 WeakPolarHBondContact O-CB 3.39Å; H206-A228 PolarHBondContact ND1-N 2.86Å; A228-S230 PolarHBondContact O-N 3.08Å; A228-I249 HydrophobicContact CB-CB 4.34Å; A228-I249 HydrophobicContact CB-CD1 3.78Å; A228-I249 HydrophobicContact CB-CG1 3.66Å; A228-I249 HydrophobicContact CB-CG2 3.79Å
229G83.2Confident78.1Confident2 Ų246.2 Ų46.22%0.02123%0.228CC..PPolyproline II helixtrans-59.8119.2175.600000113.2T89 S203 E231 I249T89-G229 WeakPolarHBondContact OG1-CA 3.31Å; S203-G229 PolarHBondContact O-N 3.45Å; G229-E231 WeakPolarHBondContact CA-OE2 3.3Å; G229-E231 PolarHBondContact O-N 3.45Å; G229-I249 WeakPolarHBondContact O-CG2 3.35Å
230S79.2Confident76.9Confident12 Ų1246 Ų468%0.08424%0.242CC..  trans-71.8-6-177.961.80000114.5G87 A228 N250G87-S230 VanDerWaalsContact CA-OG 3.3Å; G87-S230 WeakPolarHBondContact CA-OG 3.42Å; G87-S230 PolarHBondContact O-N 2.87Å; G87-S230 VanDerWaalsContact O-N 3.09Å; G87-S230 PolarHBondContact O-OG 3.22Å; A228-S230 PolarHBondContact O-N 3.08Å; S230-N250 PolarHBondContact O-ND2 3.25Å
231E72.5Confident75.7Confident42 Ų4250.5 Ų50.520%0.19627%0.269CS..  trans-57.3140.4-174.661-83.7-170.300113.7Q88 T89 G229Q88-E231 VanDerWaalsContact CA-OE2 3.28Å; Q88-E231 WeakPolarHBondContact CA-OE2 3.47Å; Q88-E231 HydrophobicContact CG-CB 4.25Å; T89-E231 WeakPolarHBondContact CB-OE1 3.49Å; T89-E231 PolarHBondContact N-OE2 3.4Å; T89-E231 PolarHBondContact OG1-OE1 2.86Å; T89-E231 PolarHBondContact OG1-OE2 2.81Å; G229-E231 WeakPolarHBondContact CA-OE2 3.3Å; G229-E231 PolarHBondContact O-N 3.45Å
232G60Low74.2Confident18 Ų1849 Ų4919%0.18627%0.266CS..  trans-70150.9-176.300000112.9R234 R235 E306G232-R234 PolarHBondContact O-N 2.75Å; G232-R235 PolarHBondContact O-N 3.13Å; G232-E306 PolarHBondContact N-OE1 2.94Å; G232-E306 VanDerWaalsContact N-OE1 3.11Å
233V58.2Low72.9Confident37 Ų3757 Ų5722%0.22430%0.296CS..THydrogen-bonded Turntrans-49.2-22.1167-172.30000112.3R235 T236 G237 R243V233-R235 PolarHBondContact O-N 2.8Å; V233-R235 VanDerWaalsContact O-N 3.13Å; V233-T236 PolarHBondContact O-N 2.95Å; V233-T236 VanDerWaalsContact O-N 3.13Å; V233-T236 PolarHBondContact O-OG1 3.3Å; V233-G237 PolarHBondContact O-N 3.19Å; V233-R243 HydrophobicContact CG1-CB 3.97Å; V233-R243 HydrophobicContact CG1-CG 4.1Å; V233-R243 HydrophobicContact CG2-CB 4.48Å; V233-R243 HydrophobicContact CG2-CG 4.29Å
234R58.8Low71.8Confident237 Ų23761.4 Ų61.489%0.89432%0.317SS*.THydrogen-bonded Turntrans-42.4-38.6167.8-58.8-177.9-171.6-1093.1113.7G232G232-R234 PolarHBondContact O-N 2.75Å
235R56.1Low70.4Confident117 Ų11762.1 Ų62.144%0.44232%0.32SS..THydrogen-bonded Turntrans-85.4-30.3-178.7-78.8-175.1163-152.9-10114.4G232 V233 C302 D303G232-R235 PolarHBondContact O-N 3.13Å; V233-R235 PolarHBondContact O-N 2.8Å; V233-R235 VanDerWaalsContact O-N 3.13Å; R235-C302 PolarHBondContact NH2-O 3.43Å; R235-D303 IonicContact CZ-OD1 3.09Å; R235-D303 IonicContact NH1-OD1 3.18Å; R235-D303 PolarHBondContact NH1-OD1 2.83Å; R235-D303 IonicContact NH2-OD1 2.81Å; R235-D303 PolarHBondContact NH2-OD1 3.11Å
236T54.4Low69.1Low52 Ų5262.7 Ų62.732%0.31933%0.325SS..THydrogen-bonded Turntrans-84.2-35.8-175.158.90000112.3V233 H238V233-T236 PolarHBondContact O-N 2.95Å; V233-T236 VanDerWaalsContact O-N 3.13Å; V233-T236 PolarHBondContact O-OG1 3.3Å; T236-H238 PolarHBondContact O-CE1 3.37Å; T236-H238 PolarHBondContact O-N 2.78Å; T236-H238 VanDerWaalsContact O-N 3.13Å; T236-H238 PolarHBondContact O-ND1 3.36Å
237G54.7Low68.3Low56 Ų5666.1 Ų66.158%0.57735%0.346SS*.  trans58.925-177.300000113.4V233V233-G237 PolarHBondContact O-N 3.19Å
238H57Low67.7Low87 Ų8766.9 Ų66.940%0.40335%0.35SS..  trans-102.4123.8179.5-74.435.1000109.5T236 A242T236-H238 PolarHBondContact O-CE1 3.37Å; T236-H238 PolarHBondContact O-N 2.78Å; T236-H238 VanDerWaalsContact O-N 3.13Å; T236-H238 PolarHBondContact O-ND1 3.36Å; H238-A242 HydrophobicContact CB-CB 3.53Å
239E60.8Low67.1Low184 Ų18467.2 Ų67.286%0.8635%0.352SS*.  trans-81.5166.7-179.6-62.4-177.9146.900112.2V241E239-V241 PolarHBondContact O-N 2.85Å
240G68.4Low66.8Low55 Ų5569.7 Ų69.757%0.56736%0.364SS*.THydrogen-bonded Turntrans66.2-117.8178.800000113.2A242 R243 Q244G240-A242 PolarHBondContact O-N 3.04Å; G240-R243 WeakPolarHBondContact O-CB 3.48Å; G240-R243 PolarHBondContact O-N 3.44Å; G240-Q244 PolarHBondContact O-N 2.82Å
241V68.5Low67.2Low98 Ų9872 Ų7259%0.59438%0.375SS*.Hα-helixtrans-57.4-47.6-167.2-175.90000112.6E239 R243 Q244 E245E239-V241 PolarHBondContact O-N 2.85Å; V241-R243 PolarHBondContact O-N 3.27Å; V241-Q244 PolarHBondContact O-N 3.35Å; V241-E245 HydrophobicContact CG1-CG 4.43Å; V241-E245 WeakPolarHBondContact O-CG 3.41Å; V241-E245 PolarHBondContact O-N 2.93Å
242A65.2Low67.8Low13 Ų1370 Ų7011%0.10737%0.366CS..Hα-helixtrans-64.8-25.2-179.200000113.3H238 G240 G246H238-A242 HydrophobicContact CB-CB 3.53Å; G240-A242 PolarHBondContact O-N 3.04Å; A242-G246 PolarHBondContact O-N 3.09Å
243R70Confident68.9Low170 Ų17069.5 Ų69.564%0.64236%0.359SS*.Hα-helixtrans-70.9-42.4171.7-178.3173.4-177.4130.70111.1V233 G240 V241 G246 V247V233-R243 HydrophobicContact CG1-CB 3.97Å; V233-R243 HydrophobicContact CG1-CG 4.1Å; V233-R243 HydrophobicContact CG2-CB 4.48Å; V233-R243 HydrophobicContact CG2-CG 4.29Å; G240-R243 WeakPolarHBondContact O-CB 3.48Å; G240-R243 PolarHBondContact O-N 3.44Å; V241-R243 PolarHBondContact O-N 3.27Å; R243-G246 PolarHBondContact O-N 2.52Å; R243-V247 WeakPolarHBondContact O-CG2 2.86Å; R243-V247 PolarHBondContact O-N 3.44Å; R243-V247 VanDerWaalsContact O-N 3.15Å
244Q73.3Confident70.3Confident98 Ų9873 Ų7346%0.45838%0.376SS..Hα-helixtrans-67.9-38.2177-167.362.552.200112G240 V241 V247 N248G240-Q244 PolarHBondContact O-N 2.82Å; V241-Q244 PolarHBondContact O-N 3.35Å; Q244-V247 PolarHBondContact O-N 3.42Å; Q244-N248 PolarHBondContact NE2-OD1 3.06Å; Q244-N248 WeakPolarHBondContact O-CB 3.29Å; Q244-N248 VanDerWaalsContact O-CG 3.22Å; Q244-N248 PolarHBondContact O-N 3.23Å; Q244-N248 PolarHBondContact O-OD1 3.26Å
245E69.2Low71.8Confident15 Ų1561.9 Ų61.97%0.0734%0.335CS..Hα-helixtrans-55.5-52.4172-70.8177163.400111.1Y145 R204 V241 V247 N248 I249Y145-E245 PolarHBondContact OH-OE1 2.69Å; R204-E245 WeakPolarHBondContact CD-OE2 3.37Å; R204-E245 IonicContact CZ-OE2 3.81Å; R204-E245 IonicContact NE-OE2 3.17Å; R204-E245 IonicContact NH1-OE2 3.85Å; R204-E245 PolarHBondContact NH1-OE2 2.68Å; V241-E245 HydrophobicContact CG1-CG 4.43Å; V241-E245 WeakPolarHBondContact O-CG 3.41Å; V241-E245 PolarHBondContact O-N 2.93Å; E245-V247 VanDerWaalsContact C-N 3.29Å; E245-V247 PolarHBondContact O-N 3.37Å; E245-N248 PolarHBondContact O-N 3.14Å; E245-N248 VanDerWaalsContact O-N 3.13Å; E245-I249 VanDerWaalsContact O-CG1 3.31Å; E245-I249 WeakPolarHBondContact O-CG1 3.4Å; E245-I249 PolarHBondContact O-N 2.74Å
246G70.2Confident73.4Confident11 Ų1156.3 Ų56.311%0.11331%0.314CS..Hα-helixtrans-64.9-26.3179.900000115.1A242 R243 N250A242-G246 PolarHBondContact O-N 3.09Å; R243-G246 PolarHBondContact O-N 2.52Å; G246-N250 PolarHBondContact O-ND2 2.97Å
247V76.1Confident75Confident76 Ų7654.5 Ų54.546%0.46130%0.302SS..Hα-helixtrans-72-47.9169.8170.10000110.6R243 Q244 E245 I249 N250 L251R243-V247 WeakPolarHBondContact O-CG2 2.86Å; R243-V247 PolarHBondContact O-N 3.44Å; R243-V247 VanDerWaalsContact O-N 3.15Å; Q244-V247 PolarHBondContact O-N 3.42Å; E245-V247 VanDerWaalsContact C-N 3.29Å; E245-V247 PolarHBondContact O-N 3.37Å; V247-I249 VanDerWaalsContact C-N 3.33Å; V247-I249 PolarHBondContact O-N 3.44Å; V247-N250 PolarHBondContact O-N 3.21Å; V247-L251 PolarHBondContact O-N 2.82Å
248N79.5Confident76.7Confident20 Ų2057 Ų5711%0.10730%0.297CS..Hα-helixtrans-67-31.9-175-71.6-0.5000112.7N146 E147 Q244 E245 L251N146-N248 PolarHBondContact OD1-ND2 3.15Å; E147-N248 HydrophobicContact CG-CB 4.17Å; Q244-N248 PolarHBondContact NE2-OD1 3.06Å; Q244-N248 WeakPolarHBondContact O-CB 3.29Å; Q244-N248 VanDerWaalsContact O-CG 3.22Å; Q244-N248 PolarHBondContact O-N 3.23Å; Q244-N248 PolarHBondContact O-OD1 3.26Å; E245-N248 PolarHBondContact O-N 3.14Å; E245-N248 VanDerWaalsContact O-N 3.13Å; N248-L251 WeakPolarHBondContact O-CB 3.4Å; N248-L251 PolarHBondContact O-N 2.81Å
249I74.4Confident78.3Confident12 Ų1252.8 Ų52.86%0.06228%0.278CS..Hα-helixtrans-61.5-44.1172.9-66.9166.1000111.5R204 A228 G229 E245 V247R204-I249 HydrophobicContact CB-CD1 4.37Å; A228-I249 HydrophobicContact CB-CB 4.34Å; A228-I249 HydrophobicContact CB-CD1 3.78Å; A228-I249 HydrophobicContact CB-CG1 3.66Å; A228-I249 HydrophobicContact CB-CG2 3.79Å; G229-I249 WeakPolarHBondContact O-CG2 3.35Å; E245-I249 VanDerWaalsContact O-CG1 3.31Å; E245-I249 WeakPolarHBondContact O-CG1 3.4Å; E245-I249 PolarHBondContact O-N 2.74Å; V247-I249 VanDerWaalsContact C-N 3.33Å; V247-I249 PolarHBondContact O-N 3.44Å
250N77.3Confident79.4Confident53 Ų5344.1 Ų44.128%0.28324%0.237SC..Hα-helixtrans-76.5-29.3-178.1-77.1-70.1000112.7S230 G246 V247 G252 L253 L254S230-N250 PolarHBondContact O-ND2 3.25Å; G246-N250 PolarHBondContact O-ND2 2.97Å; V247-N250 PolarHBondContact O-N 3.21Å; N250-G252 VanDerWaalsContact C-N 3.28Å; N250-G252 PolarHBondContact O-N 3.42Å; N250-L253 PolarHBondContact O-N 2.99Å; N250-L254 WeakPolarHBondContact O-CG 3.42Å; N250-L254 PolarHBondContact O-N 2.71Å; N250-L254 VanDerWaalsContact O-N 3.1Å
251L85.9Confident80.3Confident61 Ų6145.5 Ų45.532%0.31923%0.23SC..Hα-helixtrans-52.9-44.8173.3179.762.8000111.8E147 V247 N248 L253 L254 S255E147-L251 HydrophobicContact CG-CD2 4.13Å; V247-L251 PolarHBondContact O-N 2.82Å; N248-L251 WeakPolarHBondContact O-CB 3.4Å; N248-L251 PolarHBondContact O-N 2.81Å; L251-L253 PolarHBondContact O-N 3.32Å; L251-L254 PolarHBondContact O-N 3.32Å; L251-S255 PolarHBondContact O-N 2.88Å; L251-S255 PolarHBondContact O-OG 3.49Å
252G85.5Confident81.2Confident0 Ų041.4 Ų41.40%021%0.206CC..Hα-helixtrans-57.7-47.117900000113.7N250 S255 I256N250-G252 VanDerWaalsContact C-N 3.28Å; N250-G252 PolarHBondContact O-N 3.42Å; G252-S255 PolarHBondContact O-N 3.28Å; G252-I256 WeakPolarHBondContact O-CG1 3.25Å; G252-I256 PolarHBondContact O-N 2.95Å; G252-I256 VanDerWaalsContact O-N 3.14Å
253L84.3Confident82.1Confident8 Ų842.3 Ų42.34%0.04221%0.208CC..Hα-helixtrans-65.1-43.9178.4-79.6171.6000112.2Y86 L227 N250 L251 I256 N257 F313Y86-L253 HydrophobicContact CD2-CD1 4.29Å; Y86-L253 HydrophobicContact CD2-CD2 4.39Å; Y86-L253 HydrophobicContact CG-CD2 4.31Å; L227-L253 HydrophobicContact CD1-CD2 3.46Å; L227-L253 VanDerWaalsContact CD1-CD2 3.46Å; L227-L253 HydrophobicContact CD1-CG 3.98Å; N250-L253 PolarHBondContact O-N 2.99Å; L251-L253 PolarHBondContact O-N 3.32Å; L253-I256 PolarHBondContact O-N 2.84Å; L253-N257 PolarHBondContact O-N 2.93Å; L253-F313 HydrophobicContact CB-CE2 3.82Å; L253-F313 HydrophobicContact CB-CZ 3.9Å; L253-F313 HydrophobicContact CD2-CE1 4.01Å; L253-F313 HydrophobicContact CD2-CE2 4.45Å; L253-F313 HydrophobicContact CD2-CZ 3.78Å; L253-F313 HydrophobicContact CG-CZ 4.36Å
254L86.3Confident82.6Confident110 Ų11036.8 Ų36.858%0.57620%0.199SC*.Hα-helixtrans-63.4-42.8177.7-67170.7000111.6N250 L251 I256 N257 K258N250-L254 WeakPolarHBondContact O-CG 3.42Å; N250-L254 PolarHBondContact O-N 2.71Å; N250-L254 VanDerWaalsContact O-N 3.1Å; L251-L254 PolarHBondContact O-N 3.32Å; L254-I256 PolarHBondContact O-N 2.62Å; L254-N257 PolarHBondContact O-N 2.94Å; L254-K258 PolarHBondContact O-N 3.42Å
255S91.1Very high83.1Confident4 Ų434.8 Ų34.83%0.02820%0.199CC..Hα-helixtrans-63-38.4176.3-54.30000112.7L251 G252 K258 V259 D274 S275L251-S255 PolarHBondContact O-N 2.88Å; L251-S255 PolarHBondContact O-OG 3.49Å; G252-S255 PolarHBondContact O-N 3.28Å; S255-K258 PolarHBondContact O-N 3.16Å; S255-V259 WeakPolarHBondContact O-CB 3.49Å; S255-V259 WeakPolarHBondContact O-CG2 3.38Å; S255-V259 PolarHBondContact O-N 2.88Å; S255-D274 PolarHBondContact OG-O 3.01Å; S255-S275 WeakPolarHBondContact CB-OG 3.43Å; S255-S275 WeakPolarHBondContact OG-CB 3.22Å; S255-S275 PolarHBondContact OG-OG 2.89Å
256I89.5Confident83.6Confident0 Ų036.9 Ų36.90%023%0.225CC..Hα-helixtrans-60.7-48.3177.3-71.6171.1000110L84 G252 L253 L254 K258 V259 V260 L277 T278 L285 L291 F293L84-I256 HydrophobicContact CD1-CD1 4.02Å; L84-I256 HydrophobicContact CD2-CD1 4.07Å; G252-I256 WeakPolarHBondContact O-CG1 3.25Å; G252-I256 PolarHBondContact O-N 2.95Å; G252-I256 VanDerWaalsContact O-N 3.14Å; L253-I256 PolarHBondContact O-N 2.84Å; L254-I256 PolarHBondContact O-N 2.62Å; I256-K258 VanDerWaalsContact C-N 3.35Å; I256-K258 PolarHBondContact O-N 3.1Å; I256-V259 PolarHBondContact O-N 3.31Å; I256-V260 WeakPolarHBondContact O-CG2 3.45Å; I256-V260 PolarHBondContact O-N 3.34Å; I256-L277 HydrophobicContact CD1-CD2 3.58Å; I256-L277 HydrophobicContact CD1-CG 4Å; I256-L277 HydrophobicContact CG1-CD2 4.36Å; I256-T278 HydrophobicContact CB-CG2 4.46Å; I256-T278 HydrophobicContact CG1-CG2 3.76Å; I256-L285 HydrophobicContact CG1-CD1 4.3Å; I256-L291 HydrophobicContact CG2-CD2 4.36Å; I256-F293 HydrophobicContact CG2-CE1 4.23Å; I256-F293 HydrophobicContact CG2-CZ 3.78Å
257N87.9Confident84.3Confident14 Ų1440.5 Ų40.58%0.07524%0.238CC..Hα-helixtrans-59-46.7176.8-73.7-0.9000111.1L253 L254 V259 V260 M261 F313L253-N257 PolarHBondContact O-N 2.93Å; L254-N257 PolarHBondContact O-N 2.94Å; N257-V259 PolarHBondContact O-N 3.31Å; N257-V260 PolarHBondContact O-N 3.04Å; N257-M261 WeakPolarHBondContact O-CB 3.36Å; N257-M261 VanDerWaalsContact O-CG 3.24Å; N257-M261 WeakPolarHBondContact O-CG 3.42Å; N257-M261 PolarHBondContact O-N 3.32Å; N257-F313 WeakPolarHBondContact ND2-CE2 3.12Å; N257-F313 VanDerWaalsContact ND2-CZ 3.27Å; N257-F313 WeakPolarHBondContact ND2-CZ 3.37Å; N257-F313 WeakPolarHBondContact OD1-CZ 3.46Å
258K90Very high84.8Confident107 Ų10743.9 Ų43.947%0.46526%0.259SS..Hα-helixtrans-60.1-40.7178.2-163.4-169-177.5-178.40113.1L254 S255 I256 S262 P271 D274L254-K258 PolarHBondContact O-N 3.42Å; S255-K258 PolarHBondContact O-N 3.16Å; I256-K258 VanDerWaalsContact C-N 3.35Å; I256-K258 PolarHBondContact O-N 3.1Å; K258-S262 VanDerWaalsContact O-CB 3.3Å; K258-S262 WeakPolarHBondContact O-CB 3.4Å; K258-S262 PolarHBondContact O-N 3.15Å; K258-S262 PolarHBondContact O-OG 2.98Å; K258-P271 HydrophobicContact CB-CG 4.47Å; K258-P271 HydrophobicContact CD-CB 4.27Å; K258-P271 HydrophobicContact CD-CG 3.95Å; K258-P271 HydrophobicContact CG-CG 3.94Å; K258-D274 WeakPolarHBondContact CD-OD2 3.3Å; K258-D274 WeakPolarHBondContact CE-OD2 3.14Å; K258-D274 IonicContact NZ-OD2 3.94Å; K258-D274 PolarHBondContact NZ-OD2 3.45Å
259V90.4Very high85.4Confident0 Ų048.5 Ų48.50%029%0.288CS..Hα-helixtrans-62.8-46.7175.5158.60000111S255 I256 N257 M263 I270 P271 Y272 T278 L285S255-V259 WeakPolarHBondContact O-CB 3.49Å; S255-V259 WeakPolarHBondContact O-CG2 3.38Å; S255-V259 PolarHBondContact O-N 2.88Å; I256-V259 PolarHBondContact O-N 3.31Å; N257-V259 PolarHBondContact O-N 3.31Å; V259-M263 WeakPolarHBondContact O-CB 3.32Å; V259-M263 PolarHBondContact O-N 2.92Å; V259-I270 HydrophobicContact CB-CG2 4.28Å; V259-I270 HydrophobicContact CG1-CG2 3.8Å; V259-I270 HydrophobicContact CG2-CG2 4.2Å; V259-P271 HydrophobicContact CG2-CG 4.05Å; V259-P271 WeakPolarHBondContact CG2-O 3.05Å; V259-Y272 HydrophobicContact CG1-CD1 3.97Å; V259-Y272 HydrophobicContact CG1-CE1 3.72Å; V259-Y272 HydrophobicContact CG2-CD1 4.16Å; V259-T278 HydrophobicContact CB-CG2 4.47Å; V259-T278 HydrophobicContact CG2-CG2 3.9Å; V259-L285 HydrophobicContact CG1-CB 4.26Å; V259-L285 HydrophobicContact CG1-CD1 4.37Å
260V85.5Confident86.3Confident2 Ų249.4 Ų49.41%0.01229%0.293CS..Hα-helixtrans-73.2-36.2-178.3-177.70000111.7V9 I256 N257 M263 A264 L291 L320 L322V9-V260 HydrophobicContact CG2-CG1 4.44Å; I256-V260 WeakPolarHBondContact O-CG2 3.45Å; I256-V260 PolarHBondContact O-N 3.34Å; N257-V260 PolarHBondContact O-N 3.04Å; V260-M263 PolarHBondContact O-N 3.39Å; V260-A264 WeakPolarHBondContact O-CB 3.23Å; V260-A264 PolarHBondContact O-N 3.46Å; V260-L291 HydrophobicContact CG2-CD2 3.81Å; V260-L320 HydrophobicContact CB-CD1 4.04Å; V260-L320 HydrophobicContact CB-CD2 4.08Å; V260-L320 HydrophobicContact CB-CG 4.48Å; V260-L320 HydrophobicContact CG1-CB 3.75Å; V260-L320 HydrophobicContact CG1-CD1 3.98Å; V260-L320 HydrophobicContact CG1-CD2 4Å; V260-L320 HydrophobicContact CG1-CG 4.12Å; V260-L322 HydrophobicContact CG1-CD1 4.05Å; V260-L322 HydrophobicContact CG1-CD2 3.99Å; V260-L322 HydrophobicContact CG1-CG 3.83Å
261M86.2Confident87Confident83 Ų8347.8 Ų47.841%0.40929%0.285SS..Hα-helixtrans-61-51.5171.5-73.1167.9169.600111.3N257 M263 A264 A265 L320N257-M261 WeakPolarHBondContact O-CB 3.36Å; N257-M261 VanDerWaalsContact O-CG 3.24Å; N257-M261 WeakPolarHBondContact O-CG 3.42Å; N257-M261 PolarHBondContact O-N 3.32Å; M261-M263 PolarHBondContact O-N 3.09Å; M261-A264 PolarHBondContact O-N 3.13Å; M261-A264 VanDerWaalsContact O-N 3.1Å; M261-A265 WeakPolarHBondContact O-CB 3.14Å; M261-A265 PolarHBondContact O-N 3.02Å; M261-L320 HydrophobicContact CE-CD2 4.06Å; M261-L320 HydrophobicContact CG-CD2 3.48Å; M261-L320 VanDerWaalsContact CG-CD2 3.48Å; M261-L320 HydrophobicContact SD-CD2 4.49Å
262S88Confident87.4Confident13 Ų1346.5 Ų46.59%0.09128%0.277CS..Hα-helixtrans-56.7-35176.5-58.70000112.2K258 G266 H267 P271K258-S262 VanDerWaalsContact O-CB 3.3Å; K258-S262 WeakPolarHBondContact O-CB 3.4Å; K258-S262 PolarHBondContact O-N 3.15Å; K258-S262 PolarHBondContact O-OG 2.98Å; S262-G266 PolarHBondContact O-N 3.03Å; S262-H267 WeakPolarHBondContact O-CB 3.22Å; S262-H267 PolarHBondContact O-N 3.18Å; S262-P271 WeakPolarHBondContact OG-CD 3.39Å
263M84.7Confident87.8Confident31 Ų3153.7 Ų53.715%0.15330%0.304CS..Hα-helixtrans-74.9-39.2177.9-169.7169.8-58.500112.9V259 V260 M261 A265 G266 I270 Y272 L285 A287 L322V259-M263 WeakPolarHBondContact O-CB 3.32Å; V259-M263 PolarHBondContact O-N 2.92Å; V260-M263 PolarHBondContact O-N 3.39Å; M261-M263 PolarHBondContact O-N 3.09Å; M263-A265 VanDerWaalsContact C-N 3.33Å; M263-G266 PolarHBondContact O-N 3.38Å; M263-G266 VanDerWaalsContact O-N 3.17Å; M263-I270 HydrophobicContact CB-CD1 4.19Å; M263-I270 HydrophobicContact CE-CG1 4.49Å; M263-I270 HydrophobicContact CE-CG2 4.2Å; M263-Y272 WeakPolarHBondContact CE-OH 3.28Å; M263-L285 VanDerWaalsContact CE-O 3.28Å; M263-L285 WeakPolarHBondContact CE-O 3.38Å; M263-A287 HydrophobicContact CG-CB 4.45Å; M263-A287 HydrophobicContact SD-CB 4.04Å; M263-A287 PolarHBondContact SD-N 3.11Å; M263-L322 HydrophobicContact CB-CD2 4.43Å; M263-L322 HydrophobicContact CG-CD2 4.08Å; M263-L322 HydrophobicContact SD-CD2 3.82Å
264A79.9Confident88.2Confident55 Ų5556.2 Ų56.246%0.45532%0.317SS..Hα-helixtrans-66.3-35.7174.500000112V260 M261 G266 R321V260-A264 WeakPolarHBondContact O-CB 3.23Å; V260-A264 PolarHBondContact O-N 3.46Å; M261-A264 PolarHBondContact O-N 3.13Å; M261-A264 VanDerWaalsContact O-N 3.1Å; A264-G266 VanDerWaalsContact C-N 3.26Å; A264-G266 PolarHBondContact O-N 3.18Å; A264-R321 VanDerWaalsContact CB-O 3.32Å; A264-R321 WeakPolarHBondContact CB-O 3.26Å
265A82.3Confident88.5Confident55 Ų5551.2 Ų51.246%0.45529%0.291SS..THydrogen-bonded Turntrans-74.1-11.8172.600000113.8M261 M263 H267M261-A265 WeakPolarHBondContact O-CB 3.14Å; M261-A265 PolarHBondContact O-N 3.02Å; M263-A265 VanDerWaalsContact C-N 3.33Å; A265-H267 WeakPolarHBondContact CB-NE2 3.44Å
266G80.8Confident88.6Confident60 Ų6052.1 Ų52.162%0.61930%0.297SS*.THydrogen-bonded Turntrans75.326.5179.200000114.6S262 M263 A264S262-G266 PolarHBondContact O-N 3.03Å; M263-G266 PolarHBondContact O-N 3.38Å; M263-G266 VanDerWaalsContact O-N 3.17Å; A264-G266 VanDerWaalsContact C-N 3.26Å; A264-G266 PolarHBondContact O-N 3.18Å
267H85Confident88.8Confident86 Ų8652.1 Ų52.140%0.39830%0.297SS..  trans-62.4140.3179-65.2172.5000112.1S262 A265 V269 I270S262-H267 WeakPolarHBondContact O-CB 3.22Å; S262-H267 PolarHBondContact O-N 3.18Å; A265-H267 WeakPolarHBondContact CB-NE2 3.44Å; H267-V269 VanDerWaalsContact C-N 3.35Å; H267-I270 HydrophobicContact CB-CD1 4.28Å; H267-I270 VanDerWaalsContact O-CD1 3.31Å; H267-I270 WeakPolarHBondContact O-CD1 3.39Å
268T87.2Confident89.1Confident147 Ų14751.4 Ų51.490%0.90229%0.293SS*.SBendtrans-72.1-28.4-178.852.20000113.2
269V91.4Very high89.3Confident118 Ų11846.6 Ų46.672%0.71527%0.272SS*.SBendtrans-114.1113.3175.5-178.50000108.2H267H267-V269 VanDerWaalsContact C-N 3.35Å
270I92.2Very high89.5Confident31 Ų3147.3 Ų47.316%0.15928%0.277CS..  trans-96.9129.8178.7-56.2-59.7000109.1V259 M263 H267 Y272V259-I270 HydrophobicContact CB-CG2 4.28Å; V259-I270 HydrophobicContact CG1-CG2 3.8Å; V259-I270 HydrophobicContact CG2-CG2 4.2Å; M263-I270 HydrophobicContact CB-CD1 4.19Å; M263-I270 HydrophobicContact CE-CG1 4.49Å; M263-I270 HydrophobicContact CE-CG2 4.2Å; H267-I270 HydrophobicContact CB-CD1 4.28Å; H267-I270 VanDerWaalsContact O-CD1 3.31Å; H267-I270 WeakPolarHBondContact O-CD1 3.39Å; I270-Y272 HydrophobicContact CB-CD2 3.97Å; I270-Y272 HydrophobicContact CB-CE2 3.51Å; I270-Y272 HydrophobicContact CG1-CE2 4.37Å; I270-Y272 HydrophobicContact CG2-CD1 4.22Å; I270-Y272 HydrophobicContact CG2-CD2 3.96Å; I270-Y272 HydrophobicContact CG2-CE1 3.81Å; I270-Y272 HydrophobicContact CG2-CE2 3.55Å; I270-Y272 HydrophobicContact CG2-CG 4.29Å; I270-Y272 VanDerWaalsContact CG2-CZ 3.46Å; I270-Y272 WeakPolarHBondContact O-CD2 3.31Å; I270-Y272 PolarHBondContact O-N 2.8Å
271P93.7Very high89.9Confident19 Ų1947.2 Ų47.212%0.12328%0.276CS..  trans-77.651.4-168.530.1-35.9000115K258 V259 S262 R273 D274K258-P271 HydrophobicContact CB-CG 4.47Å; K258-P271 HydrophobicContact CD-CB 4.27Å; K258-P271 HydrophobicContact CD-CG 3.95Å; K258-P271 HydrophobicContact CG-CG 3.94Å; V259-P271 HydrophobicContact CG2-CG 4.05Å; V259-P271 WeakPolarHBondContact CG2-O 3.05Å; S262-P271 WeakPolarHBondContact OG-CD 3.39Å; P271-R273 PolarHBondContact O-N 2.82Å; P271-D274 WeakPolarHBondContact CB-OD1 3.33Å; P271-D274 PolarHBondContact O-N 2.75Å
272Y93.4Very high90.2Very high34 Ų3446.2 Ų46.213%0.13327%0.27CS..THydrogen-bonded Turntrans-65.6-6.4176.2-54.7-74.5000114.5V259 M263 I270 T278 T279 Q282 L285V259-Y272 HydrophobicContact CG1-CD1 3.97Å; V259-Y272 HydrophobicContact CG1-CE1 3.72Å; V259-Y272 HydrophobicContact CG2-CD1 4.16Å; M263-Y272 WeakPolarHBondContact CE-OH 3.28Å; I270-Y272 HydrophobicContact CB-CD2 3.97Å; I270-Y272 HydrophobicContact CB-CE2 3.51Å; I270-Y272 HydrophobicContact CG1-CE2 4.37Å; I270-Y272 HydrophobicContact CG2-CD1 4.22Å; I270-Y272 HydrophobicContact CG2-CD2 3.96Å; I270-Y272 HydrophobicContact CG2-CE1 3.81Å; I270-Y272 HydrophobicContact CG2-CE2 3.55Å; I270-Y272 HydrophobicContact CG2-CG 4.29Å; I270-Y272 VanDerWaalsContact CG2-CZ 3.46Å; I270-Y272 WeakPolarHBondContact O-CD2 3.31Å; I270-Y272 PolarHBondContact O-N 2.8Å; Y272-T278 CarbonylContact O-C 3.47Å; Y272-T278 PolarHBondContact O-OG1 2.85Å; Y272-T279 WeakPolarHBondContact O-CA 3.36Å; Y272-T279 WeakPolarHBondContact O-CB 3.25Å; Y272-T279 PolarHBondContact O-N 3.45Å; Y272-T279 VanDerWaalsContact O-N 3.09Å; Y272-T279 PolarHBondContact O-OG1 2.86Å; Y272-Q282 HydrophobicContact CD1-CB 3.99Å; Y272-Q282 HydrophobicContact CD1-CG 3.8Å; Y272-Q282 HydrophobicContact CD2-CG 3.81Å; Y272-Q282 VanDerWaalsContact CD2-NE2 3.34Å; Y272-Q282 HydrophobicContact CE1-CB 4.45Å; Y272-Q282 HydrophobicContact CE1-CG 4.05Å; Y272-Q282 HydrophobicContact CE2-CG 4.02Å; Y272-Q282 HydrophobicContact CG-CB 4.17Å; Y272-Q282 HydrophobicContact CG-CG 3.67Å; Y272-L285 HydrophobicContact CE1-CB 4.27Å; Y272-L285 WeakPolarHBondContact CE1-O 3.37Å; Y272-L285 PolarHBondContact OH-O 2.79Å; Y272-L285 VanDerWaalsContact OH-O 3.11Å
273R93.4Very high90.2Very high151 Ų15147.2 Ų47.257%0.5728%0.279SS*.THydrogen-bonded Turntrans-96.3-7.8-179.5-68.4-60-172.2-131.9-0.6113.4P271 S275 T279P271-R273 PolarHBondContact O-N 2.82Å; R273-S275 PolarHBondContact O-N 2.59Å; R273-T279 PolarHBondContact NH1-OG1 2.81Å
274D92.4Very high90.5Very high61 Ų6145.9 Ų45.933%0.32627%0.273SS..SBendtrans-70.8-18.7-179-67.332.2000112.4S255 K258 P271S255-D274 PolarHBondContact OG-O 3.01Å; K258-D274 WeakPolarHBondContact CD-OD2 3.3Å; K258-D274 WeakPolarHBondContact CE-OD2 3.14Å; K258-D274 IonicContact NZ-OD2 3.94Å; K258-D274 PolarHBondContact NZ-OD2 3.45Å; P271-D274 WeakPolarHBondContact CB-OD1 3.33Å; P271-D274 PolarHBondContact O-N 2.75Å
275S93.3Very high90.9Very high4 Ų443.5 Ų43.53%0.02825%0.253CS..  trans-149.9157.7164.556.20000113.1E147 S255 R273 L277 T278 T279E147-S275 WeakPolarHBondContact OE2-CA 3.48Å; E147-S275 WeakPolarHBondContact OE2-CB 3.48Å; S255-S275 WeakPolarHBondContact CB-OG 3.43Å; S255-S275 WeakPolarHBondContact OG-CB 3.22Å; S255-S275 PolarHBondContact OG-OG 2.89Å; R273-S275 PolarHBondContact O-N 2.59Å; S275-L277 PolarHBondContact O-N 3.39Å; S275-T278 PolarHBondContact N-OG1 2.91Å; S275-T278 PolarHBondContact O-N 2.99Å; S275-T278 PolarHBondContact O-OG1 2.83Å; S275-T278 PolarHBondContact OG-N 3.09Å; S275-T278 PolarHBondContact OG-OG1 3.28Å; S275-T279 PolarHBondContact O-N 3.11Å
276V93.3Very high91.1Very high23 Ų2342.7 Ų42.714%0.13924%0.242CC..Hα-helixtrans-59.5-37.4169.4174.40000111I144 E147 P149 T278 T279 V280I144-V276 HydrophobicContact CD1-CG1 3.94Å; I144-V276 HydrophobicContact CG1-CG1 3.98Å; I144-V276 HydrophobicContact CG2-CB 4.08Å; I144-V276 HydrophobicContact CG2-CG1 3.86Å; E147-V276 HydrophobicContact CB-CG2 4.32Å; E147-V276 WeakPolarHBondContact O-CG2 3.45Å; E147-V276 PolarHBondContact OE2-N 3.06Å; P149-V276 HydrophobicContact CB-CG1 3.54Å; P149-V276 HydrophobicContact CG-CG1 3.54Å; V276-T278 PolarHBondContact O-N 2.83Å; V276-T279 CarbonylContact O-C 3.45Å; V276-T279 PolarHBondContact O-N 2.83Å; V276-T279 VanDerWaalsContact O-N 3.15Å; V276-V280 HydrophobicContact CG1-CG2 4.12Å; V276-V280 WeakPolarHBondContact O-CG2 3.28Å; V276-V280 PolarHBondContact O-N 2.96Å
277L93.5Very high90.8Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-58.4-46.9177.1-178.560.5000112I144 I208 V225 L227 I256 S275 V280 L281I144-L277 HydrophobicContact CD1-CB 4.01Å; I144-L277 HydrophobicContact CD1-CD1 3.94Å; I208-L277 HydrophobicContact CD1-CD1 3.88Å; V225-L277 HydrophobicContact CG1-CD1 4.48Å; L227-L277 HydrophobicContact CD2-CD1 4.08Å; L227-L277 HydrophobicContact CD2-CD2 3.65Å; I256-L277 HydrophobicContact CD1-CD2 3.58Å; I256-L277 HydrophobicContact CD1-CG 4Å; I256-L277 HydrophobicContact CG1-CD2 4.36Å; S275-L277 PolarHBondContact O-N 3.39Å; L277-V280 PolarHBondContact O-N 2.8Å; L277-L281 HydrophobicContact CD1-CD1 3.72Å; L277-L281 HydrophobicContact CD1-CG 4.32Å; L277-L281 HydrophobicContact CG-CD1 4.19Å; L277-L281 WeakPolarHBondContact O-CB 3.48Å; L277-L281 WeakPolarHBondContact O-CG 3.46Å; L277-L281 PolarHBondContact O-N 3.45Å
278T93.9Very high90.5Very high0 Ų039.4 Ų39.40%022%0.217CC..Hα-helixtrans-73-25.617653.40000113.6I256 V259 Y272 S275 V276 Q282 L285I256-T278 HydrophobicContact CB-CG2 4.46Å; I256-T278 HydrophobicContact CG1-CG2 3.76Å; V259-T278 HydrophobicContact CB-CG2 4.47Å; V259-T278 HydrophobicContact CG2-CG2 3.9Å; Y272-T278 CarbonylContact O-C 3.47Å; Y272-T278 PolarHBondContact O-OG1 2.85Å; S275-T278 PolarHBondContact N-OG1 2.91Å; S275-T278 PolarHBondContact O-N 2.99Å; S275-T278 PolarHBondContact O-OG1 2.83Å; S275-T278 PolarHBondContact OG-N 3.09Å; S275-T278 PolarHBondContact OG-OG1 3.28Å; V276-T278 PolarHBondContact O-N 2.83Å; T278-Q282 WeakPolarHBondContact O-CA 3.43Å; T278-Q282 WeakPolarHBondContact O-CB 3.34Å; T278-Q282 PolarHBondContact O-N 3Å; T278-L285 HydrophobicContact CG2-CD1 4.26Å
279T94.4Very high90.6Very high5 Ų532.4 Ų32.43%0.03117%0.174CC..Hα-helixtrans-71-41.4171-88.80000112.8A163 C166 Q167 Y272 R273 S275 V276 Q282A163-T279 HydrophobicContact CB-CG2 3.98Å; C166-T279 HydrophobicContact CB-CG2 4.39Å; Q167-T279 PolarHBondContact NE2-O 3.34Å; Y272-T279 WeakPolarHBondContact O-CA 3.36Å; Y272-T279 WeakPolarHBondContact O-CB 3.25Å; Y272-T279 PolarHBondContact O-N 3.45Å; Y272-T279 VanDerWaalsContact O-N 3.09Å; Y272-T279 PolarHBondContact O-OG1 2.86Å; R273-T279 PolarHBondContact NH1-OG1 2.81Å; S275-T279 PolarHBondContact O-N 3.11Å; V276-T279 CarbonylContact O-C 3.45Å; V276-T279 PolarHBondContact O-N 2.83Å; V276-T279 VanDerWaalsContact O-N 3.15Å; T279-Q282 VanDerWaalsContact O-CB 3.31Å; T279-Q282 WeakPolarHBondContact O-CB 3.43Å
280V94Very high90.7Very high15 Ų1527.2 Ų27.29%0.09114%0.142CC..Hα-helixtrans-66.9-49.3176.21720000109.7I142 I144 P149 C166 I208 V276 L277 Q282I142-V280 HydrophobicContact CD1-CG1 3.74Å; I142-V280 HydrophobicContact CG2-CG2 4.45Å; I144-V280 HydrophobicContact CD1-CG2 4.14Å; P149-V280 HydrophobicContact CB-CG2 4.23Å; C166-V280 HydrophobicContact CB-CG2 3.98Å; I208-V280 HydrophobicContact CD1-CB 4.26Å; I208-V280 HydrophobicContact CD1-CG1 3.72Å; V276-V280 HydrophobicContact CG1-CG2 4.12Å; V276-V280 WeakPolarHBondContact O-CG2 3.28Å; V276-V280 PolarHBondContact O-N 2.96Å; L277-V280 PolarHBondContact O-N 2.8Å; V280-Q282 PolarHBondContact O-N 2.6Å
281L94Very high90.7Very high1 Ų125.8 Ų25.81%0.00514%0.135CC..G310 helixtrans-782.2-179.2-61.1175.4000113.9T82 L84 I208 N223 V225 L277 A283 S284 L285T82-L281 HydrophobicContact CG2-CD1 4.38Å; L84-L281 HydrophobicContact CD2-CD1 4.36Å; I208-L281 HydrophobicContact CG2-CD2 4.42Å; N223-L281 HydrophobicContact CB-CD2 3.86Å; V225-L281 HydrophobicContact CG2-CD2 4.25Å; L277-L281 HydrophobicContact CD1-CD1 3.72Å; L277-L281 HydrophobicContact CD1-CG 4.32Å; L277-L281 HydrophobicContact CG-CD1 4.19Å; L277-L281 WeakPolarHBondContact O-CB 3.48Å; L277-L281 WeakPolarHBondContact O-CG 3.46Å; L277-L281 PolarHBondContact O-N 3.45Å; L281-A283 PolarHBondContact O-N 2.81Å; L281-A283 VanDerWaalsContact O-N 3.07Å; L281-S284 CarbonylContact O-C 3.53Å; L281-S284 PolarHBondContact O-N 3.37Å; L281-L285 HydrophobicContact CB-CD1 3.75Å; L281-L285 HydrophobicContact CB-CG 3.93Å; L281-L285 PolarHBondContact O-N 3.14Å
282Q92.8Very high90.8Very high61 Ų6125 Ų2529%0.28513%0.13SC..G310 helixtrans-51.4-36.8-176178.6172.918.300113.8Y272 T278 T279 V280 S284Y272-Q282 HydrophobicContact CD1-CB 3.99Å; Y272-Q282 HydrophobicContact CD1-CG 3.8Å; Y272-Q282 HydrophobicContact CD2-CG 3.81Å; Y272-Q282 VanDerWaalsContact CD2-NE2 3.34Å; Y272-Q282 HydrophobicContact CE1-CB 4.45Å; Y272-Q282 HydrophobicContact CE1-CG 4.05Å; Y272-Q282 HydrophobicContact CE2-CG 4.02Å; Y272-Q282 HydrophobicContact CG-CB 4.17Å; Y272-Q282 HydrophobicContact CG-CG 3.67Å; T278-Q282 WeakPolarHBondContact O-CA 3.43Å; T278-Q282 WeakPolarHBondContact O-CB 3.34Å; T278-Q282 PolarHBondContact O-N 3Å; T279-Q282 VanDerWaalsContact O-CB 3.31Å; T279-Q282 WeakPolarHBondContact O-CB 3.43Å; V280-Q282 PolarHBondContact O-N 2.6Å; Q282-S284 VanDerWaalsContact C-N 3.27Å; Q282-S284 PolarHBondContact O-N 2.81Å
283A88.9Confident90.9Very high34 Ų3423.4 Ų23.428%0.28112%0.123SC..G310 helixtrans-76.8-11.218000000114L281 T286L281-A283 PolarHBondContact O-N 2.81Å; L281-A283 VanDerWaalsContact O-N 3.07Å; A283-T286 WeakPolarHBondContact O-CG2 3.17Å
284S90.4Very high91.1Very high3 Ų316.2 Ų16.22%0.02110%0.096CC..THydrogen-bonded Turntrans-126.8-4.3-177.7-57.20000113.8Q80 N223 L281 Q282 S289Q80-S284 PolarHBondContact OE1-OG 2.87Å; N223-S284 WeakPolarHBondContact ND2-CB 3.14Å; N223-S284 PolarHBondContact ND2-OG 2.82Å; L281-S284 CarbonylContact O-C 3.53Å; L281-S284 PolarHBondContact O-N 3.37Å; Q282-S284 VanDerWaalsContact C-N 3.27Å; Q282-S284 PolarHBondContact O-N 2.81Å; S284-S289 VanDerWaalsContact C-OG 3.26Å; S284-S289 WeakPolarHBondContact O-CB 3.1Å; S284-S289 PolarHBondContact O-OG 2.96Å
285L88.9Confident91.3Very high5 Ų513.3 Ų13.33%0.0268%0.081CC..SBendtrans-96.171161.3-67.3173.5000108.5I256 V259 M263 Y272 T278 L281 L291I256-L285 HydrophobicContact CG1-CD1 4.3Å; V259-L285 HydrophobicContact CG1-CB 4.26Å; V259-L285 HydrophobicContact CG1-CD1 4.37Å; M263-L285 VanDerWaalsContact CE-O 3.28Å; M263-L285 WeakPolarHBondContact CE-O 3.38Å; Y272-L285 HydrophobicContact CE1-CB 4.27Å; Y272-L285 WeakPolarHBondContact CE1-O 3.37Å; Y272-L285 PolarHBondContact OH-O 2.79Å; Y272-L285 VanDerWaalsContact OH-O 3.11Å; T278-L285 HydrophobicContact CG2-CD1 4.26Å; L281-L285 HydrophobicContact CB-CD1 3.75Å; L281-L285 HydrophobicContact CB-CG 3.93Å; L281-L285 PolarHBondContact O-N 3.14Å; L285-L291 HydrophobicContact CD2-CD1 3.77Å; L285-L291 HydrophobicContact CD2-CD2 4.05Å
286T85.7Confident91.4Very high38 Ų3813.2 Ų13.223%0.2338%0.08CC..SBendtrans-124.2167.6-177.878.70000110.6A283 Q288 S289A283-T286 WeakPolarHBondContact O-CG2 3.17Å; T286-Q288 PolarHBondContact O-N 3.37Å; T286-Q288 PolarHBondContact OG1-N 3.12Å; T286-S289 PolarHBondContact N-OG 3.03Å; T286-S289 WeakPolarHBondContact O-CB 3.19Å; T286-S289 PolarHBondContact O-N 3.09Å; T286-S289 PolarHBondContact O-OG 3.42Å; T286-S289 PolarHBondContact OG1-OG 2.94Å
287A75.7Confident91.6Very high36 Ų3612.1 Ų12.130%0.2987%0.073SC..THydrogen-bonded Turntrans-64.5-13.6178.900000113.5M263 P324 V327M263-A287 HydrophobicContact CG-CB 4.45Å; M263-A287 HydrophobicContact SD-CB 4.04Å; M263-A287 PolarHBondContact SD-N 3.11Å; A287-P324 WeakPolarHBondContact O-CA 3.45Å; A287-V327 HydrophobicContact CB-CG2 3.96Å
288Q78.6Confident91.7Very high41 Ų4112.4 Ų12.419%0.1928%0.075CC..THydrogen-bonded Turntrans-107.634.7174.4-63.9-173.4-86.100112.4T286 V327 K331T286-Q288 PolarHBondContact O-N 3.37Å; T286-Q288 PolarHBondContact OG1-N 3.12Å; Q288-V327 HydrophobicContact CG-CB 3.79Å; Q288-V327 HydrophobicContact CG-CG1 3.66Å; Q288-K331 VanDerWaalsContact OE1-CE 3.24Å
289S88.3Confident91.7Very high1 Ų112.5 Ų12.51%0.0078%0.076CC..EExtended strand (participates in β ladder)trans-116.4150.6-178.6-59.60000112.8Q80 S284 T286Q80-S289 CarbonylContact O-C 3.57Å; Q80-S289 VanDerWaalsContact O-CA 3.23Å; Q80-S289 WeakPolarHBondContact O-CA 3.14Å; S284-S289 VanDerWaalsContact C-OG 3.26Å; S284-S289 WeakPolarHBondContact O-CB 3.1Å; S284-S289 PolarHBondContact O-OG 2.96Å; T286-S289 PolarHBondContact N-OG 3.03Å; T286-S289 WeakPolarHBondContact O-CB 3.19Å; T286-S289 PolarHBondContact O-N 3.09Å; T286-S289 PolarHBondContact O-OG 3.42Å; T286-S289 PolarHBondContact OG1-OG 2.94Å
290Y93.2Very high91.6Very high8 Ų813.7 Ų13.73%0.0318%0.081CC..EExtended strand (participates in β ladder)trans-103.5128.2166.1-70.4-91.7000109.7L6 K74 F79 Q80 C81 T82 P324L6-Y290 HydrophobicContact CB-CE1 4.04Å; K74-Y290 HydrophobicContact CB-CD2 3.81Å; K74-Y290 HydrophobicContact CB-CE2 3.84Å; K74-Y290 HydrophobicContact CB-CG 4.49Å; K74-Y290 HydrophobicContact CD-CE2 4.11Å; K74-Y290 HydrophobicContact CG-CD2 3.99Å; K74-Y290 HydrophobicContact CG-CE1 4.38Å; K74-Y290 HydrophobicContact CG-CE2 3.66Å; K74-Y290 HydrophobicContact CG-CG 4.48Å; F79-Y290 HydrophobicContact CB-CD2 3.96Å; F79-Y290 HydrophobicContact CB-CE2 4.03Å; F79-Y290 AromaticContact CD1-CE2 3.93Å; F79-Y290 HydrophobicContact CD1-CE2 3.93Å; F79-Y290 HydrophobicContact CD2-CE2 4.15Å; F79-Y290 HydrophobicContact CE1-CE2 4.44Å; F79-Y290 HydrophobicContact CG-CD2 4.23Å; F79-Y290 AromaticContact CG-CE2 3.78Å; F79-Y290 HydrophobicContact CG-CE2 3.78Å; Q80-Y290 PolarHBondContact O-N 3.34Å; C81-Y290 CarbonylContact C-O 3.47Å; C81-Y290 WeakPolarHBondContact CA-O 3.32Å; T82-Y290 PolarHBondContact N-O 2.65Å; Y290-P324 HydrophobicContact CE1-CG 4.22Å; Y290-P324 HydrophobicContact CE2-CB 4.37Å; Y290-P324 HydrophobicContact CE2-CG 4.1Å
291L94Very high91.5Very high2 Ų219.9 Ų19.91%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-122.6117.2-175.2-175.563.1000109.6A8 V9 R10 T82 L84 I256 V260 L285 F293A8-L291 PolarHBondContact O-N 3.19Å; V9-L291 CarbonylContact C-O 3.58Å; V9-L291 VanDerWaalsContact CA-O 3.26Å; V9-L291 WeakPolarHBondContact CA-O 3.47Å; V9-L291 HydrophobicContact CG2-CB 4.49Å; R10-L291 PolarHBondContact N-O 3.12Å; T82-L291 HydrophobicContact CG2-CD1 3.77Å; L84-L291 HydrophobicContact CD1-CD1 3.57Å; I256-L291 HydrophobicContact CG2-CD2 4.36Å; V260-L291 HydrophobicContact CG2-CD2 3.81Å; L285-L291 HydrophobicContact CD2-CD1 3.77Å; L285-L291 HydrophobicContact CD2-CD2 4.05Å; L291-F293 HydrophobicContact CD2-CE2 3.62Å; L291-F293 HydrophobicContact CD2-CZ 3.92Å; L291-F293 HydrophobicContact CG-CD2 4.31Å; L291-F293 HydrophobicContact CG-CE2 3.74Å; L291-F293 HydrophobicContact CG-CZ 4.28Å
292T95.1Very high91.3Very high2 Ų224.5 Ų24.51%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-119.1125.6179.6-64.10000109.8R10 L67 T82 A83 L84R10-T292 HydrophobicContact CB-CG2 4.42Å; R10-T292 WeakPolarHBondContact O-CA 3.37Å; L67-T292 HydrophobicContact CD1-CG2 3.51Å; L67-T292 HydrophobicContact CD2-CG2 4.07Å; L67-T292 HydrophobicContact CG-CG2 3.78Å; T82-T292 PolarHBondContact O-N 3.44Å; A83-T292 CarbonylContact C-O 3.58Å; A83-T292 WeakPolarHBondContact CA-O 3.3Å; L84-T292 PolarHBondContact N-O 3.1Å
293F95.1Very high91.2Very high0 Ų022.6 Ų22.60%013%0.132CC..EExtended strand (participates in β ladder)trans-101.8135.5172.6-64.8-98.5000109.7V9 R10 I11 A12 L84 Y86 I256 L291 F313 A317V9-F293 HydrophobicContact CG1-CD2 4.28Å; V9-F293 HydrophobicContact CG1-CE2 4.08Å; R10-F293 PolarHBondContact O-N 3.29Å; I11-F293 HydrophobicContact CD1-CB 3.88Å; I11-F293 HydrophobicContact CD1-CD2 3.53Å; I11-F293 HydrophobicContact CD1-CE2 4.32Å; I11-F293 HydrophobicContact CD1-CG 3.99Å; A12-F293 PolarHBondContact N-O 3.08Å; L84-F293 HydrophobicContact CB-CD1 4.14Å; L84-F293 HydrophobicContact CD1-CD1 4.03Å; L84-F293 HydrophobicContact CD1-CE1 3.76Å; L84-F293 HydrophobicContact CD1-CZ 4.19Å; L84-F293 CarbonylContact O-C 3.58Å; L84-F293 WeakPolarHBondContact O-CA 3.47Å; Y86-F293 HydrophobicContact CD1-CB 4.27Å; Y86-F293 HydrophobicContact CD1-CD1 4.3Å; Y86-F293 HydrophobicContact CE1-CB 3.9Å; Y86-F293 HydrophobicContact CE1-CD1 4.36Å; I256-F293 HydrophobicContact CG2-CE1 4.23Å; I256-F293 HydrophobicContact CG2-CZ 3.78Å; L291-F293 HydrophobicContact CD2-CE2 3.62Å; L291-F293 HydrophobicContact CD2-CZ 3.92Å; L291-F293 HydrophobicContact CG-CD2 4.31Å; L291-F293 HydrophobicContact CG-CE2 3.74Å; L291-F293 HydrophobicContact CG-CZ 4.28Å; F293-F313 HydrophobicContact CD1-CE1 4.35Å; F293-F313 HydrophobicContact CE1-CE1 4.1Å; F293-A317 HydrophobicContact CD2-CB 4.46Å; F293-A317 HydrophobicContact CE2-CB 4.25Å; F293-A317 HydrophobicContact CZ-CB 4.46Å
294L97.2Very high91.4Very high1 Ų122.5 Ų22.51%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-113.4106.6170.1-177.565.8000108.8A12 R14 M63 L67 L84 A85 Y86 M97 I112 C296A12-L294 HydrophobicContact CB-CD1 3.84Å; A12-L294 WeakPolarHBondContact O-CA 3.37Å; R14-L294 HydrophobicContact CB-CD1 4.04Å; M63-L294 HydrophobicContact SD-CD2 4.36Å; L67-L294 HydrophobicContact CD2-CD1 3.95Å; L84-L294 PolarHBondContact O-N 2.78Å; A85-L294 WeakPolarHBondContact CA-O 3.37Å; Y86-L294 WeakPolarHBondContact CD1-O 3.39Å; Y86-L294 PolarHBondContact N-O 3.04Å; M97-L294 HydrophobicContact CE-CB 4.05Å; M97-L294 HydrophobicContact CE-CD2 3.76Å; I112-L294 HydrophobicContact CD1-CD2 4.38Å; L294-C296 PolarHBondContact O-N 3.09Å
295A96.5Very high91.5Very high0 Ų026.8 Ų26.80%016%0.156CC..EExtended strand (participates in β ladder)trans-84104.5177.600000109.9A12 V13 R14 Y86 T310A12-A295 PolarHBondContact O-N 2.96Å; V13-A295 CarbonylContact C-O 3.57Å; V13-A295 WeakPolarHBondContact CA-O 3.47Å; V13-A295 HydrophobicContact CB-CB 4.46Å; V13-A295 HydrophobicContact CG1-CB 4.47Å; V13-A295 HydrophobicContact CG2-CB 4.09Å; R14-A295 PolarHBondContact N-O 2.82Å; Y86-A295 HydrophobicContact CD1-CB 4.37Å; Y86-A295 VanDerWaalsContact CE1-CA 3.46Å; Y86-A295 HydrophobicContact CE1-CB 3.5Å; Y86-A295 VanDerWaalsContact CE1-CB 3.5Å; Y86-A295 HydrophobicContact CE2-CB 4.44Å; Y86-A295 WeakPolarHBondContact OH-CB 3.39Å; A295-T310 HydrophobicContact CB-CG2 4.01Å
296C96.7Very high91.5Very high1 Ų127.4 Ų27.41%0.00716%0.159CC..EExtended strand (participates in β ladder)trans-90.9110.3177.9-64.20000109.9R14 Y86 T91 K93 L294R14-C296 WeakPolarHBondContact O-CA 3.42Å; Y86-C296 PolarHBondContact O-N 3.48Å; T91-C296 WeakPolarHBondContact CB-O 3.28Å; T91-C296 WeakPolarHBondContact O-CB 3.48Å; T91-C296 WeakPolarHBondContact OG1-CB 3.41Å; T91-C296 PolarHBondContact OG1-O 3.14Å; K93-C296 HydrophobicContact CG-CB 3.77Å; L294-C296 PolarHBondContact O-N 3.09Å
297I96.7Very high91.9Very high1 Ų125.7 Ų25.71%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-108.9158-174.262.9172.7000112.9V13 R14 A16 V30 L41 T307 T310 L311V13-I297 HydrophobicContact CG1-CD1 3.66Å; V13-I297 HydrophobicContact CG1-CG1 3.98Å; V13-I297 HydrophobicContact CG1-CG2 4.27Å; R14-I297 PolarHBondContact O-N 2.73Å; A16-I297 VanDerWaalsContact CB-O 3.32Å; A16-I297 WeakPolarHBondContact CB-O 3.22Å; A16-I297 PolarHBondContact N-O 3.28Å; V30-I297 HydrophobicContact CG1-CD1 4.09Å; V30-I297 HydrophobicContact CG2-CD1 3.74Å; L41-I297 HydrophobicContact CD1-CD1 3.71Å; I297-T307 HydrophobicContact CB-CG2 3.92Å; I297-T307 HydrophobicContact CD1-CG2 4.14Å; I297-T307 HydrophobicContact CG2-CG2 4.15Å; I297-T310 HydrophobicContact CG2-CG2 3.99Å; I297-L311 HydrophobicContact CD1-CD2 4.41Å; I297-L311 HydrophobicContact CG2-CD2 4.18Å; I297-L311 HydrophobicContact CG2-CG 4.27Å
298S94.8Very high92.8Very high6 Ų624.8 Ų24.84%0.04214%0.139CC..  trans-95.6139.1177.1-1750000111.4H300 D303 T307S298-H300 VanDerWaalsContact C-N 3.33Å; S298-H300 PolarHBondContact OG-CD2 2.86Å; S298-H300 PolarHBondContact OG-N 2.89Å; S298-D303 VanDerWaalsContact CB-OD2 3.25Å; S298-D303 WeakPolarHBondContact CB-OD2 3.38Å; S298-D303 PolarHBondContact OG-OD2 2.97Å; S298-T307 PolarHBondContact N-OG1 3.49Å; S298-T307 VanDerWaalsContact N-OG1 3.12Å; S298-T307 PolarHBondContact O-OG1 3.39Å
299P95.1Very high93.4Very high1 Ų126 Ų261%0.00615%0.152CC..  trans-82.4-7174.537-39.5000113.5E15 A16 Y18 S28 V29E15-P299 HydrophobicContact CG-CB 4.25Å; A16-P299 WeakPolarHBondContact O-CD 3.46Å; A16-P299 WeakPolarHBondContact O-CG 3.47Å; Y18-P299 HydrophobicContact CD2-CB 4.07Å; Y18-P299 HydrophobicContact CD2-CG 4.04Å; Y18-P299 HydrophobicContact CG-CG 4.32Å; S28-P299 WeakPolarHBondContact OG-CA 3.4Å; S28-P299 WeakPolarHBondContact OG-CB 3.46Å; V29-P299 PolarHBondContact N-O 2.88Å; V29-P299 VanDerWaalsContact N-O 3.08Å
300H92.5Very high93.7Very high30 Ų3026.1 Ų26.114%0.13915%0.152CC..SBendtrans-86136.5-173.4-60.7-75.4000112.2Y18 R19 S298 C302 D303Y18-H300 AromaticContact CD1-CE1 3.75Å; Y18-H300 AromaticContact CD2-CE1 3.99Å; Y18-H300 AromaticContact CD2-ND1 3.91Å; Y18-H300 AromaticContact CE1-CE1 3.48Å; Y18-H300 VanDerWaalsContact CE1-CE1 3.48Å; Y18-H300 WeakPolarHBondContact CE1-CE1 3.39Å; Y18-H300 AromaticContact CE1-ND1 3.74Å; Y18-H300 AromaticContact CE2-CE1 3.79Å; Y18-H300 AromaticContact CE2-ND1 3.36Å; Y18-H300 WeakPolarHBondContact CE2-ND1 3.42Å; Y18-H300 AromaticContact CG-CE1 3.93Å; Y18-H300 AromaticContact CZ-CE1 3.47Å; Y18-H300 VanDerWaalsContact CZ-CE1 3.47Å; Y18-H300 AromaticContact CZ-ND1 3.2Å; Y18-H300 PolarHBondContact OH-ND1 3.04Å; R19-H300 PolarHBondContact N-NE2 3.34Å; S298-H300 VanDerWaalsContact C-N 3.33Å; S298-H300 PolarHBondContact OG-CD2 2.86Å; S298-H300 PolarHBondContact OG-N 2.89Å; H300-C302 VanDerWaalsContact C-N 3.27Å; H300-C302 PolarHBondContact O-N 3.13Å; H300-D303 PolarHBondContact O-N 3.19Å
301Q91.8Very high93.8Very high145 Ų14525.7 Ų25.768%0.67815%0.151SC*.G310 helixtrans-62.2-30.4-176.8-167.5-179.936.600113.8V29 D303 L304V29-Q301 HydrophobicContact CG1-CB 3.63Å; V29-Q301 HydrophobicContact CG1-CG 3.96Å; Q301-D303 PolarHBondContact O-N 3.25Å; Q301-L304 VanDerWaalsContact O-CB 3.26Å; Q301-L304 WeakPolarHBondContact O-CB 3.37Å; Q301-L304 PolarHBondContact O-N 2.98Å
302C89.7Confident93.7Very high99 Ų9932.3 Ų32.367%0.66918%0.176SC*.G310 helixtrans-63.4-21.9174.857.60000113.5R235 H300R235-C302 PolarHBondContact NH2-O 3.43Å; H300-C302 VanDerWaalsContact C-N 3.27Å; H300-C302 PolarHBondContact O-N 3.13Å
303D91.4Very high93.4Very high20 Ų2033.8 Ų33.811%0.10718%0.182CC..G310 helixtrans-97.21.5179.9-60-30.8000113.3Q88 R235 S298 H300 Q301 S305 E306 T307Q88-D303 PolarHBondContact OE1-OD1 3.06Å; R235-D303 IonicContact CZ-OD1 3.09Å; R235-D303 IonicContact NH1-OD1 3.18Å; R235-D303 PolarHBondContact NH1-OD1 2.83Å; R235-D303 IonicContact NH2-OD1 2.81Å; R235-D303 PolarHBondContact NH2-OD1 3.11Å; S298-D303 VanDerWaalsContact CB-OD2 3.25Å; S298-D303 WeakPolarHBondContact CB-OD2 3.38Å; S298-D303 PolarHBondContact OG-OD2 2.97Å; H300-D303 PolarHBondContact O-N 3.19Å; Q301-D303 PolarHBondContact O-N 3.25Å; D303-S305 VanDerWaalsContact C-N 3.3Å; D303-S305 PolarHBondContact O-N 3.02Å; D303-S305 VanDerWaalsContact O-N 3.14Å; D303-E306 WeakPolarHBondContact O-CA 3.25Å; D303-E306 PolarHBondContact O-N 2.93Å; D303-T307 PolarHBondContact O-N 3.09Å
304L92.8Very high93.2Very high33 Ų3333.8 Ų33.817%0.17318%0.182CC..Hα-helixtrans-51.1-43.9-172.8-172.465.9000113.6V29 V43 D44 Q301 E306 T307 L308V29-L304 HydrophobicContact CB-CD1 4.14Å; V29-L304 HydrophobicContact CG2-CD1 3.82Å; V43-L304 HydrophobicContact CG1-CD1 3.49Å; V43-L304 VanDerWaalsContact CG1-CD1 3.49Å; D44-L304 HydrophobicContact CB-CD1 4.22Å; D44-L304 HydrophobicContact CB-CD2 4.28Å; Q301-L304 VanDerWaalsContact O-CB 3.26Å; Q301-L304 WeakPolarHBondContact O-CB 3.37Å; Q301-L304 PolarHBondContact O-N 2.98Å; L304-E306 PolarHBondContact O-N 3.21Å; L304-T307 PolarHBondContact O-N 3.46Å; L304-L308 HydrophobicContact CD1-CD1 4.49Å; L304-L308 HydrophobicContact CG-CD1 4.08Å; L304-L308 WeakPolarHBondContact O-CB 3.04Å; L304-L308 VanDerWaalsContact O-CG 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.3Å; L304-L308 PolarHBondContact O-N 3.03Å
305S91.4Very high92.9Very high92 Ų9236.4 Ų36.464%0.64320%0.198SC*.Hα-helixtrans-62.9-27.9177.7-178.70000113.8D303 S309D303-S305 VanDerWaalsContact C-N 3.3Å; D303-S305 PolarHBondContact O-N 3.02Å; D303-S305 VanDerWaalsContact O-N 3.14Å; S305-S309 WeakPolarHBondContact O-CB 3.35Å; S305-S309 PolarHBondContact O-N 3.25Å
306E90.1Very high92.5Very high19 Ų1938.9 Ų38.99%0.08922%0.215CC..Hα-helixtrans-92.3-35.2-176.5-64.5-83.6-164.600110Q88 G232 D303 L304 S309 T310Q88-E306 VanDerWaalsContact NE2-CG 3.3Å; G232-E306 PolarHBondContact N-OE1 2.94Å; G232-E306 VanDerWaalsContact N-OE1 3.11Å; D303-E306 WeakPolarHBondContact O-CA 3.25Å; D303-E306 PolarHBondContact O-N 2.93Å; L304-E306 PolarHBondContact O-N 3.21Å; E306-S309 PolarHBondContact O-N 3.13Å; E306-T310 WeakPolarHBondContact O-CB 3.33Å; E306-T310 PolarHBondContact O-N 2.77Å; E306-T310 PolarHBondContact O-OG1 3.21Å
307T94.2Very high91.9Very high2 Ų238.8 Ų38.81%0.01222%0.215CC..Hα-helixtrans-59.2-50.5164.8-74.20000111V43 I297 S298 D303 L304 S309 T310 L311V43-T307 HydrophobicContact CG1-CG2 4.11Å; V43-T307 HydrophobicContact CG2-CG2 4.42Å; I297-T307 HydrophobicContact CB-CG2 3.92Å; I297-T307 HydrophobicContact CD1-CG2 4.14Å; I297-T307 HydrophobicContact CG2-CG2 4.15Å; S298-T307 PolarHBondContact N-OG1 3.49Å; S298-T307 VanDerWaalsContact N-OG1 3.12Å; S298-T307 PolarHBondContact O-OG1 3.39Å; D303-T307 PolarHBondContact O-N 3.09Å; L304-T307 PolarHBondContact O-N 3.46Å; T307-S309 VanDerWaalsContact C-N 3.35Å; T307-S309 PolarHBondContact O-N 2.95Å; T307-T310 WeakPolarHBondContact O-CB 3.42Å; T307-T310 PolarHBondContact O-N 2.59Å; T307-L311 HydrophobicContact CG2-CD1 3.84Å; T307-L311 HydrophobicContact CG2-CG 4.46Å; T307-L311 WeakPolarHBondContact O-CG 3.35Å; T307-L311 PolarHBondContact O-N 2.59Å
308L94.6Very high91.4Very high16 Ų1642.7 Ų42.78%0.08423%0.232CC..Hα-helixtrans-61.7-38.9177-73.7171.4000112.8V43 D44 F48 L304 L311 R312V43-L308 HydrophobicContact CB-CD2 4.27Å; V43-L308 HydrophobicContact CG1-CD2 3.92Å; V43-L308 HydrophobicContact CG1-CG 4.28Å; D44-L308 HydrophobicContact CB-CD1 3.98Å; D44-L308 HydrophobicContact CB-CD2 4.18Å; F48-L308 HydrophobicContact CE2-CD2 3.97Å; F48-L308 HydrophobicContact CZ-CD2 3.84Å; L304-L308 HydrophobicContact CD1-CD1 4.49Å; L304-L308 HydrophobicContact CG-CD1 4.08Å; L304-L308 WeakPolarHBondContact O-CB 3.04Å; L304-L308 VanDerWaalsContact O-CG 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.3Å; L304-L308 PolarHBondContact O-N 3.03Å; L308-L311 PolarHBondContact O-N 3.32Å; L308-R312 WeakPolarHBondContact O-CB 3.26Å; L308-R312 VanDerWaalsContact O-CG 3.22Å; L308-R312 WeakPolarHBondContact O-CG 3.21Å; L308-R312 PolarHBondContact O-N 3.11Å
309S91.2Very high90.7Very high66 Ų6650 Ų5046%0.46226%0.263SS..Hα-helixtrans-59.6-48.3173.1-175.50000111.4S305 E306 T307 L311 R312 F313S305-S309 WeakPolarHBondContact O-CB 3.35Å; S305-S309 PolarHBondContact O-N 3.25Å; E306-S309 PolarHBondContact O-N 3.13Å; T307-S309 VanDerWaalsContact C-N 3.35Å; T307-S309 PolarHBondContact O-N 2.95Å; S309-L311 PolarHBondContact O-N 2.87Å; S309-R312 PolarHBondContact O-N 3.13Å; S309-F313 PolarHBondContact O-N 3.49Å
310T93Very high89.7Confident4 Ų450.5 Ų50.53%0.02527%0.265CS..Hα-helixtrans-60.1-45.8178.4-54.80000111.3Y86 A295 I297 E306 T307 F313 G314Y86-T310 HydrophobicContact CD2-CG2 4.06Å; Y86-T310 HydrophobicContact CE2-CG2 3.59Å; Y86-T310 PolarHBondContact OH-O 2.75Å; A295-T310 HydrophobicContact CB-CG2 4.01Å; I297-T310 HydrophobicContact CG2-CG2 3.99Å; E306-T310 WeakPolarHBondContact O-CB 3.33Å; E306-T310 PolarHBondContact O-N 2.77Å; E306-T310 PolarHBondContact O-OG1 3.21Å; T307-T310 WeakPolarHBondContact O-CB 3.42Å; T307-T310 PolarHBondContact O-N 2.59Å; T310-F313 PolarHBondContact O-N 3.09Å; T310-G314 PolarHBondContact O-N 2.95Å
311L95.2Very high88.6Confident0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-65.9-42.5179.4-66.3170000112.5V13 L41 V43 F48 F50 I297 T307 L308 S309 F313 G314 T315V13-L311 HydrophobicContact CG1-CD2 3.96Å; V13-L311 HydrophobicContact CG2-CD2 3.93Å; L41-L311 HydrophobicContact CD1-CD1 4.23Å; L41-L311 HydrophobicContact CD1-CD2 4.01Å; V43-L311 HydrophobicContact CB-CD1 4.13Å; V43-L311 HydrophobicContact CG2-CD1 3.69Å; F48-L311 HydrophobicContact CD1-CB 3.87Å; F48-L311 HydrophobicContact CD2-CB 4.37Å; F48-L311 HydrophobicContact CD2-CD1 3.91Å; F48-L311 HydrophobicContact CE1-CB 3.83Å; F48-L311 HydrophobicContact CE2-CB 4.33Å; F48-L311 HydrophobicContact CE2-CD1 3.92Å; F48-L311 HydrophobicContact CG-CB 4.15Å; F48-L311 HydrophobicContact CG-CD1 4.39Å; F48-L311 HydrophobicContact CZ-CB 4.07Å; F48-L311 HydrophobicContact CZ-CD1 4.42Å; F50-L311 HydrophobicContact CE2-CD2 3.77Å; F50-L311 HydrophobicContact CZ-CB 4.48Å; F50-L311 HydrophobicContact CZ-CD2 3.98Å; I297-L311 HydrophobicContact CD1-CD2 4.41Å; I297-L311 HydrophobicContact CG2-CD2 4.18Å; I297-L311 HydrophobicContact CG2-CG 4.27Å; T307-L311 HydrophobicContact CG2-CD1 3.84Å; T307-L311 HydrophobicContact CG2-CG 4.46Å; T307-L311 WeakPolarHBondContact O-CG 3.35Å; T307-L311 PolarHBondContact O-N 2.59Å; L308-L311 PolarHBondContact O-N 3.32Å; S309-L311 PolarHBondContact O-N 2.87Å; L311-F313 VanDerWaalsContact C-N 3.34Å; L311-F313 PolarHBondContact O-N 2.83Å; L311-G314 CarbonylContact O-C 3.59Å; L311-G314 WeakPolarHBondContact O-CA 3.35Å; L311-G314 PolarHBondContact O-N 3.11Å; L311-G314 VanDerWaalsContact O-N 3.09Å; L311-T315 PolarHBondContact O-N 3.03Å; L311-T315 PolarHBondContact O-OG1 3.05Å; L311-T315 VanDerWaalsContact O-OG1 3.11Å
312R92.9Very high87.5Confident140 Ų14052.5 Ų52.553%0.52827%0.267SS..Hα-helixtrans-63.7-36.8176.4-71.9171.6-178.2-170.71.7112.5F48 L308 S309 T315 S316F48-R312 HydrophobicContact CE1-CG 4.15Å; L308-R312 WeakPolarHBondContact O-CB 3.26Å; L308-R312 VanDerWaalsContact O-CG 3.22Å; L308-R312 WeakPolarHBondContact O-CG 3.21Å; L308-R312 PolarHBondContact O-N 3.11Å; S309-R312 PolarHBondContact O-N 3.13Å; R312-T315 PolarHBondContact O-N 3.31Å; R312-S316 PolarHBondContact O-N 2.91Å; R312-S316 VanDerWaalsContact O-N 3.11Å; R312-S316 PolarHBondContact O-OG 2.89Å
313F89.3Confident86.5Confident34 Ų3451.3 Ų51.315%0.14925%0.253CS..Hα-helixtrans-61.1-47.2169.7-179.4-82.4000110.7Y86 L253 N257 F293 S309 T310 L311 T315 S316 A317Y86-F313 HydrophobicContact CD2-CD1 4.05Å; Y86-F313 HydrophobicContact CD2-CE1 4.45Å; Y86-F313 HydrophobicContact CE2-CB 4.14Å; Y86-F313 AromaticContact CE2-CD1 3.37Å; Y86-F313 HydrophobicContact CE2-CD1 3.37Å; Y86-F313 HydrophobicContact CE2-CE1 4.12Å; Y86-F313 HydrophobicContact CE2-CG 4.03Å; Y86-F313 AromaticContact CZ-CD1 3.69Å; L253-F313 HydrophobicContact CB-CE2 3.82Å; L253-F313 HydrophobicContact CB-CZ 3.9Å; L253-F313 HydrophobicContact CD2-CE1 4.01Å; L253-F313 HydrophobicContact CD2-CE2 4.45Å; L253-F313 HydrophobicContact CD2-CZ 3.78Å; L253-F313 HydrophobicContact CG-CZ 4.36Å; N257-F313 WeakPolarHBondContact ND2-CE2 3.12Å; N257-F313 VanDerWaalsContact ND2-CZ 3.27Å; N257-F313 WeakPolarHBondContact ND2-CZ 3.37Å; N257-F313 WeakPolarHBondContact OD1-CZ 3.46Å; F293-F313 HydrophobicContact CD1-CE1 4.35Å; F293-F313 HydrophobicContact CE1-CE1 4.1Å; S309-F313 PolarHBondContact O-N 3.49Å; T310-F313 PolarHBondContact O-N 3.09Å; L311-F313 VanDerWaalsContact C-N 3.34Å; L311-F313 PolarHBondContact O-N 2.83Å; F313-T315 PolarHBondContact O-N 2.77Å; F313-S316 WeakPolarHBondContact O-CA 3.39Å; F313-S316 WeakPolarHBondContact O-CB 3.45Å; F313-S316 PolarHBondContact O-N 3.5Å; F313-S316 VanDerWaalsContact O-N 3.08Å; F313-A317 HydrophobicContact CE1-CB 4.23Å; F313-A317 PolarHBondContact O-N 3.43Å
314G90.5Very high85.1Confident0 Ų050.7 Ų50.70%025%0.25CS..Hα-helixtrans-56.6-44.3175.900000113.2Y86 T310 L311 S316 A317 K318Y86-G314 WeakPolarHBondContact OH-CA 3.5Å; Y86-G314 PolarHBondContact OH-N 3.34Å; T310-G314 PolarHBondContact O-N 2.95Å; L311-G314 CarbonylContact O-C 3.59Å; L311-G314 WeakPolarHBondContact O-CA 3.35Å; L311-G314 PolarHBondContact O-N 3.11Å; L311-G314 VanDerWaalsContact O-N 3.09Å; G314-S316 VanDerWaalsContact C-N 3.26Å; G314-S316 PolarHBondContact O-N 3.12Å; G314-A317 PolarHBondContact O-N 3.3Å; G314-K318 PolarHBondContact O-N 3.3Å
315T91.1Very high83.5Confident55 Ų5553.2 Ų53.234%0.33726%0.262SS..Hα-helixtrans-63.1-34.3176.7-52.30000111.9L311 R312 F313L311-T315 PolarHBondContact O-N 3.03Å; L311-T315 PolarHBondContact O-OG1 3.05Å; L311-T315 VanDerWaalsContact O-OG1 3.11Å; R312-T315 PolarHBondContact O-N 3.31Å; F313-T315 PolarHBondContact O-N 2.77Å
316S86.7Confident81.8Confident52 Ų5254.3 Ų54.336%0.36426%0.257SS..Hα-helixtrans-70.9-42.4174.7-54.70000111.4R312 F313 G314 K318 K319R312-S316 PolarHBondContact O-N 2.91Å; R312-S316 VanDerWaalsContact O-N 3.11Å; R312-S316 PolarHBondContact O-OG 2.89Å; F313-S316 WeakPolarHBondContact O-CA 3.39Å; F313-S316 WeakPolarHBondContact O-CB 3.45Å; F313-S316 PolarHBondContact O-N 3.5Å; F313-S316 VanDerWaalsContact O-N 3.08Å; G314-S316 VanDerWaalsContact C-N 3.26Å; G314-S316 PolarHBondContact O-N 3.12Å; S316-K318 VanDerWaalsContact C-N 3.33Å; S316-K318 PolarHBondContact O-N 2.91Å; S316-K319 WeakPolarHBondContact O-CB 3.33Å; S316-K319 PolarHBondContact O-N 3.45Å
317A85.6Confident80.1Confident0 Ų055.1 Ų55.10%026%0.264CS..Hα-helixtrans-66.4-30.2175.800000113I11 F293 F313 G314 K319 L320I11-A317 HydrophobicContact CD1-CB 3.59Å; F293-A317 HydrophobicContact CD2-CB 4.46Å; F293-A317 HydrophobicContact CE2-CB 4.25Å; F293-A317 HydrophobicContact CZ-CB 4.46Å; F313-A317 HydrophobicContact CE1-CB 4.23Å; F313-A317 PolarHBondContact O-N 3.43Å; G314-A317 PolarHBondContact O-N 3.3Å; A317-K319 PolarHBondContact O-N 2.85Å; A317-L320 HydrophobicContact CB-CD1 4.18Å; A317-L320 WeakPolarHBondContact O-CB 3.37Å; A317-L320 WeakPolarHBondContact O-CD1 3.34Å; A317-L320 WeakPolarHBondContact O-CG 3.48Å; A317-L320 PolarHBondContact O-N 3.28Å; A317-L320 VanDerWaalsContact O-N 3.14Å
318K85.1Confident78.3Confident82 Ų8255.9 Ų55.936%0.35727%0.27SS..THydrogen-bonded Turntrans-64.4-21.3174.5-156.1-177.7-170.6-1750113.4I11 H49 F50 G314 S316 L320I11-K318 HydrophobicContact CG1-CB 3.86Å; I11-K318 HydrophobicContact CG1-CG 4.17Å; H49-K318 VanDerWaalsContact O-CD 3.3Å; H49-K318 WeakPolarHBondContact O-CD 3.26Å; H49-K318 PolarHBondContact O-NZ 2.92Å; F50-K318 VanDerWaalsContact CA-NZ 3.34Å; F50-K318 PolarHBondContact O-NZ 3.39Å; G314-K318 PolarHBondContact O-N 3.3Å; S316-K318 VanDerWaalsContact C-N 3.33Å; S316-K318 PolarHBondContact O-N 2.91Å; K318-L320 VanDerWaalsContact C-N 3.26Å; K318-L320 PolarHBondContact O-N 2.85Å
319K80.7Confident76.6Confident160 Ų16063.6 Ų63.670%0.69630%0.298SS*.THydrogen-bonded Turntrans-75.7-13.4176.4-61.5178.2-179-179.70113.1S316 A317 R321S316-K319 WeakPolarHBondContact O-CB 3.33Å; S316-K319 PolarHBondContact O-N 3.45Å; A317-K319 PolarHBondContact O-N 2.85Å; K319-R321 PolarHBondContact O-N 3.21Å
320L74.6Confident74.9Confident11 Ų1166 Ų666%0.05830%0.302CS..  trans-70.1125-177.1-61.1173.8000111.6V9 V260 M261 A317 K318V9-L320 HydrophobicContact CB-CB 4.43Å; V9-L320 HydrophobicContact CG1-CB 4.28Å; V9-L320 HydrophobicContact CG2-CB 3.99Å; V260-L320 HydrophobicContact CB-CD1 4.04Å; V260-L320 HydrophobicContact CB-CD2 4.08Å; V260-L320 HydrophobicContact CB-CG 4.48Å; V260-L320 HydrophobicContact CG1-CB 3.75Å; V260-L320 HydrophobicContact CG1-CD1 3.98Å; V260-L320 HydrophobicContact CG1-CD2 4Å; V260-L320 HydrophobicContact CG1-CG 4.12Å; M261-L320 HydrophobicContact CE-CD2 4.06Å; M261-L320 HydrophobicContact CG-CD2 3.48Å; M261-L320 VanDerWaalsContact CG-CD2 3.48Å; M261-L320 HydrophobicContact SD-CD2 4.49Å; A317-L320 HydrophobicContact CB-CD1 4.18Å; A317-L320 WeakPolarHBondContact O-CB 3.37Å; A317-L320 WeakPolarHBondContact O-CD1 3.34Å; A317-L320 WeakPolarHBondContact O-CG 3.48Å; A317-L320 PolarHBondContact O-N 3.28Å; A317-L320 VanDerWaalsContact O-N 3.14Å; K318-L320 VanDerWaalsContact C-N 3.26Å; K318-L320 PolarHBondContact O-N 2.85Å
321R68.6Low73.1Confident202 Ų20271.6 Ų71.676%0.76233%0.326SS*.  trans-111.7106.3-177.9-68.7-178.7175-177.3-1.8112A264 K319A264-R321 VanDerWaalsContact CB-O 3.32Å; A264-R321 WeakPolarHBondContact CB-O 3.26Å; K319-R321 PolarHBondContact O-N 3.21Å
322L68.7Low71.4Confident16 Ų1678.1 Ų78.18%0.08436%0.356CS..  trans-105.4148.6167.6-69.1177000110.7A8 V9 V260 M263A8-L322 HydrophobicContact CB-CB 3.59Å; A8-L322 WeakPolarHBondContact CB-O 3.44Å; V9-L322 HydrophobicContact CG2-CB 4.31Å; V9-L322 HydrophobicContact CG2-CD1 3.9Å; V9-L322 HydrophobicContact CG2-CG 4.01Å; V260-L322 HydrophobicContact CG1-CD1 4.05Å; V260-L322 HydrophobicContact CG1-CD2 3.99Å; V260-L322 HydrophobicContact CG1-CG 3.83Å; M263-L322 HydrophobicContact CB-CD2 4.43Å; M263-L322 HydrophobicContact CG-CD2 4.08Å; M263-L322 HydrophobicContact SD-CD2 3.82Å
323N69.7Low69.8Low73 Ų7374.4 Ų74.439%0.3935%0.352SS..  trans-133.365.4-173.6-84.4-50.1000113.4M325 Q326N323-M325 VanDerWaalsContact C-N 3.33Å; N323-M325 PolarHBondContact O-N 2.72Å; N323-Q326 HydrophobicContact CB-CB 4.35Å; N323-Q326 HydrophobicContact CB-CG 4.33Å; N323-Q326 VanDerWaalsContact CB-OE1 3.31Å; N323-Q326 PolarHBondContact ND2-OE1 3.45Å; N323-Q326 PolarHBondContact O-N 3.46Å; N323-Q326 VanDerWaalsContact O-N 3.14Å
324P60.7Low68.3Low7 Ų778 Ų785%0.04537%0.372CS..Hα-helixtrans-58.5-36.8-172.622.4-33.9000114.5A8 F79 A287 Y290 Q326 A328A8-P324 HydrophobicContact CB-CG 3.74Å; F79-P324 HydrophobicContact CD1-CB 4.23Å; F79-P324 HydrophobicContact CE1-CB 4.07Å; A287-P324 WeakPolarHBondContact O-CA 3.45Å; Y290-P324 HydrophobicContact CE1-CG 4.22Å; Y290-P324 HydrophobicContact CE2-CB 4.37Å; Y290-P324 HydrophobicContact CE2-CG 4.1Å; P324-Q326 PolarHBondContact O-N 2.96Å; P324-A328 WeakPolarHBondContact O-CB 3.28Å; P324-A328 PolarHBondContact O-N 3.47Å
325M58.9Low66.9Low86 Ų8680.4 Ų80.442%0.42439%0.392SS..Hα-helixtrans-70-29.7-179.9-60.9-146.1-53.400113.9K5 N323 R329K5-M325 HydrophobicContact CD-CE 4.37Å; N323-M325 VanDerWaalsContact C-N 3.33Å; N323-M325 PolarHBondContact O-N 2.72Å; M325-R329 WeakPolarHBondContact O-CG 3.35Å; M325-R329 PolarHBondContact O-N 3.19Å
326Q56.9Low65.6Low116 Ų11680.1 Ų80.154%0.54240%0.395SS..Hα-helixtrans-68.1-45.4178.9-72.6-179.5-31.200110.3N323 P324 R329 Q330N323-Q326 HydrophobicContact CB-CB 4.35Å; N323-Q326 HydrophobicContact CB-CG 4.33Å; N323-Q326 VanDerWaalsContact CB-OE1 3.31Å; N323-Q326 PolarHBondContact ND2-OE1 3.45Å; N323-Q326 PolarHBondContact O-N 3.46Å; N323-Q326 VanDerWaalsContact O-N 3.14Å; P324-Q326 PolarHBondContact O-N 2.96Å; Q326-R329 PolarHBondContact O-N 3.4Å; Q326-Q330 WeakPolarHBondContact O-CB 3.42Å; Q326-Q330 VanDerWaalsContact O-CG 3.3Å; Q326-Q330 WeakPolarHBondContact O-CG 3.43Å; Q326-Q330 PolarHBondContact O-N 2.94Å
327V53.4Low64.3Low36 Ų3686.2 Ų86.222%0.21841%0.41CS..Hα-helixtrans-68.8-35.2177.1-176.90000111.7A287 Q288 Q330 K331A287-V327 HydrophobicContact CB-CG2 3.96Å; Q288-V327 HydrophobicContact CG-CB 3.79Å; Q288-V327 HydrophobicContact CG-CG1 3.66Å; V327-Q330 PolarHBondContact O-N 2.88Å; V327-K331 PolarHBondContact O-N 2.84Å
328A57.3Low63Low18 Ų1890.5 Ų90.515%0.14944%0.437CS..Hα-helixtrans-60.7-50.617400000112P324 Q330 K331 Q332P324-A328 WeakPolarHBondContact O-CB 3.28Å; P324-A328 PolarHBondContact O-N 3.47Å; A328-Q330 VanDerWaalsContact C-N 3.34Å; A328-Q330 PolarHBondContact O-N 2.92Å; A328-K331 PolarHBondContact O-N 2.89Å; A328-Q332 WeakPolarHBondContact O-CG 3.41Å; A328-Q332 PolarHBondContact O-N 3.04Å
329R58.4Low61.8Low178 Ų17891 Ų9167%0.67245%0.446SS*.Hα-helixtrans-62.5-38.3176.4-72.9-177.1177.2-173.9-1112.4M325 Q326 Q332 S333M325-R329 WeakPolarHBondContact O-CG 3.35Å; M325-R329 PolarHBondContact O-N 3.19Å; Q326-R329 PolarHBondContact O-N 3.4Å; R329-Q332 PolarHBondContact O-N 3.49Å; R329-S333 WeakPolarHBondContact O-CB 3.36Å; R329-S333 PolarHBondContact O-N 2.91Å; R329-S333 PolarHBondContact O-OG 2.79Å
330Q55.7Low60.8Low115 Ų11589.7 Ų89.754%0.53744%0.443SS..Hα-helixtrans-64.9-42.3174.9-75.4173-0.300112.5Q326 V327 A328 S333 L334Q326-Q330 WeakPolarHBondContact O-CB 3.42Å; Q326-Q330 VanDerWaalsContact O-CG 3.3Å; Q326-Q330 WeakPolarHBondContact O-CG 3.43Å; Q326-Q330 PolarHBondContact O-N 2.94Å; V327-Q330 PolarHBondContact O-N 2.88Å; A328-Q330 VanDerWaalsContact C-N 3.34Å; A328-Q330 PolarHBondContact O-N 2.92Å; Q330-S333 PolarHBondContact O-N 2.85Å; Q330-S333 PolarHBondContact O-OG 2.82Å; Q330-L334 VanDerWaalsContact O-CB 3.26Å; Q330-L334 WeakPolarHBondContact O-CB 3.33Å; Q330-L334 WeakPolarHBondContact O-CD1 3.21Å; Q330-L334 VanDerWaalsContact O-CG 3.23Å; Q330-L334 WeakPolarHBondContact O-CG 3.18Å; Q330-L334 PolarHBondContact O-N 3.08Å
331K56.1Low60Low123 Ų12393.4 Ų93.454%0.53547%0.466SS..Hα-helixtrans-64.7-41.3175.3-78.1-174.8176.9179.50112.1Q288 V327 A328 A335Q288-K331 VanDerWaalsContact OE1-CE 3.24Å; V327-K331 PolarHBondContact O-N 2.84Å; A328-K331 PolarHBondContact O-N 2.89Å; K331-A335 VanDerWaalsContact O-CB 3.3Å; K331-A335 WeakPolarHBondContact O-CB 3.48Å; K331-A335 PolarHBondContact O-N 2.76Å
332Q58.5Low59.3Low136 Ų13691 Ų9164%0.63646%0.461SS*.Hα-helixtrans-63.3-45.7175.8-73.8172.1-25.800111.9A328 R329 A335 A336A328-Q332 WeakPolarHBondContact O-CG 3.41Å; A328-Q332 PolarHBondContact O-N 3.04Å; R329-Q332 PolarHBondContact O-N 3.49Å; Q332-A335 PolarHBondContact O-N 2.95Å; Q332-A336 WeakPolarHBondContact O-CB 3.18Å; Q332-A336 PolarHBondContact O-N 3.06Å
333S59.7Low58.8Low62 Ų6299.2 Ų99.243%0.43449%0.491SS..Hα-helixtrans-71.2-33.4178.768.50000113.1R329 Q330 R337R329-S333 WeakPolarHBondContact O-CB 3.36Å; R329-S333 PolarHBondContact O-N 2.91Å; R329-S333 PolarHBondContact O-OG 2.79Å; Q330-S333 PolarHBondContact O-N 2.85Å; Q330-S333 PolarHBondContact O-OG 2.82Å; S333-R337 VanDerWaalsContact O-CB 3.32Å; S333-R337 WeakPolarHBondContact O-CB 3.32Å; S333-R337 VanDerWaalsContact O-CG 3.25Å; S333-R337 WeakPolarHBondContact O-CG 3.48Å; S333-R337 PolarHBondContact O-N 2.74Å
334L57.6Low58.1Low110 Ų110102 Ų10258%0.57650%0.502SS*.Hα-helixtrans-64.3-45.8170.5-77.4166000111.6Q330 R337 T338Q330-L334 VanDerWaalsContact O-CB 3.26Å; Q330-L334 WeakPolarHBondContact O-CB 3.33Å; Q330-L334 WeakPolarHBondContact O-CD1 3.21Å; Q330-L334 VanDerWaalsContact O-CG 3.23Å; Q330-L334 WeakPolarHBondContact O-CG 3.18Å; Q330-L334 PolarHBondContact O-N 3.08Å; L334-R337 PolarHBondContact O-N 2.63Å; L334-T338 PolarHBondContact O-N 2.98Å; L334-T338 PolarHBondContact O-OG1 3.09Å
335A60.2Low57.8Low51 Ų51104.1 Ų104.142%0.42152%0.519SS..Hα-helixtrans-63.5-42.4177.400000112.5K331 Q332 R337 T338 T339K331-A335 VanDerWaalsContact O-CB 3.3Å; K331-A335 WeakPolarHBondContact O-CB 3.48Å; K331-A335 PolarHBondContact O-N 2.76Å; Q332-A335 PolarHBondContact O-N 2.95Å; A335-R337 VanDerWaalsContact C-N 3.34Å; A335-T338 WeakPolarHBondContact CA-OG1 3.39Å; A335-T338 PolarHBondContact O-N 3.22Å; A335-T338 PolarHBondContact O-OG1 3.23Å; A335-T339 PolarHBondContact O-N 3.23Å; A335-T339 VanDerWaalsContact O-N 3.07Å; A335-T339 PolarHBondContact O-OG1 2.74Å; A335-T339 VanDerWaalsContact O-OG1 3.13Å
336A64.5Low57.5Low49 Ų49105.1 Ų105.141%0.40553%0.526SS..Hα-helixtrans-65.4-36174.600000112.3Q332 T339 H340Q332-A336 WeakPolarHBondContact O-CB 3.18Å; Q332-A336 PolarHBondContact O-N 3.06Å; A336-T339 PolarHBondContact O-OG1 2.82Å; A336-T339 VanDerWaalsContact O-OG1 3.11Å; A336-H340 WeakPolarHBondContact O-CB 3.4Å; A336-H340 PolarHBondContact O-N 3.45Å
337R59.2Low57.3Low180 Ų180103.8 Ų103.868%0.67953%0.529SS*.Hα-helixtrans-70.1-40.5173.8-77.6-179.967.6162.32.8112.4S333 L334 A335 H340 V341S333-R337 VanDerWaalsContact O-CB 3.32Å; S333-R337 WeakPolarHBondContact O-CB 3.32Å; S333-R337 VanDerWaalsContact O-CG 3.25Å; S333-R337 WeakPolarHBondContact O-CG 3.48Å; S333-R337 PolarHBondContact O-N 2.74Å; L334-R337 PolarHBondContact O-N 2.63Å; A335-R337 VanDerWaalsContact C-N 3.34Å; R337-H340 PolarHBondContact O-N 2.76Å; R337-V341 WeakPolarHBondContact O-CB 3.48Å; R337-V341 VanDerWaalsContact O-CG2 3.29Å; R337-V341 WeakPolarHBondContact O-CG2 3.46Å; R337-V341 PolarHBondContact O-N 3.36Å
338T59.1Low57.3Low90 Ų90107 Ų10755%0.55255%0.548SS*.Hα-helixtrans-66.1-41.317849.70000111.4L334 A335 V341 F342L334-T338 PolarHBondContact O-N 2.98Å; L334-T338 PolarHBondContact O-OG1 3.09Å; A335-T338 WeakPolarHBondContact CA-OG1 3.39Å; A335-T338 PolarHBondContact O-N 3.22Å; A335-T338 PolarHBondContact O-OG1 3.23Å; T338-V341 PolarHBondContact O-N 2.78Å; T338-F342 WeakPolarHBondContact O-CB 3.47Å; T338-F342 PolarHBondContact O-N 3.24Å
339T60Low57Low91 Ų91110.2 Ų110.256%0.55857%0.57SS**Hα-helixtrans-65.9-40.6174.552.90000112.5A335 A336 R343A335-T339 PolarHBondContact O-N 3.23Å; A335-T339 VanDerWaalsContact O-N 3.07Å; A335-T339 PolarHBondContact O-OG1 2.74Å; A335-T339 VanDerWaalsContact O-OG1 3.13Å; A336-T339 PolarHBondContact O-OG1 2.82Å; A336-T339 VanDerWaalsContact O-OG1 3.11Å; T339-R343 WeakPolarHBondContact O-CB 3.48Å; T339-R343 PolarHBondContact O-N 2.8Å
340H58.6Low56.5Low134 Ų134107.4 Ų107.462%0.6257%0.573SS**Hα-helixtrans-61.8-46.4173.4-100.2-87.1000112.9A336 R337 R343 Q344A336-H340 WeakPolarHBondContact O-CB 3.4Å; A336-H340 PolarHBondContact O-N 3.45Å; R337-H340 PolarHBondContact O-N 2.76Å; H340-R343 PolarHBondContact O-N 3.44Å; H340-Q344 VanDerWaalsContact O-CB 3.29Å; H340-Q344 WeakPolarHBondContact O-CB 3.44Å; H340-Q344 PolarHBondContact O-N 3.29Å
341V59.1Low56Low89 Ų89105.7 Ų105.754%0.53958%0.578SS.*Hα-helixtrans-65.2-41.8180170.40000111.3R337 T338 Q344 A345R337-V341 WeakPolarHBondContact O-CB 3.48Å; R337-V341 VanDerWaalsContact O-CG2 3.29Å; R337-V341 WeakPolarHBondContact O-CG2 3.46Å; R337-V341 PolarHBondContact O-N 3.36Å; T338-V341 PolarHBondContact O-N 2.78Å; V341-Q344 PolarHBondContact O-N 3.05Å; V341-A345 WeakPolarHBondContact O-CB 3.4Å; V341-A345 PolarHBondContact O-N 2.77Å
342F53.9Low55.4Low152 Ų152107.6 Ų107.667%0.66759%0.593SS**Hα-helixtrans-64.3-42.3176.2-131.3-88000111.7T338 A345 L346T338-F342 WeakPolarHBondContact O-CB 3.47Å; T338-F342 PolarHBondContact O-N 3.24Å; F342-A345 PolarHBondContact O-N 3.07Å; F342-L346 HydrophobicContact CD1-CD1 4.11Å; F342-L346 VanDerWaalsContact O-CG 3.31Å; F342-L346 WeakPolarHBondContact O-CG 3.38Å; F342-L346 PolarHBondContact O-N 3.2Å
343R56.5Low54.6Low187 Ų187110 Ų11071%0.70660%0.601SS**Hα-helixtrans-66.4-40.4177.9-160.1174.5-1591594.8111.7T339 H340 L346 C347T339-R343 WeakPolarHBondContact O-CB 3.48Å; T339-R343 PolarHBondContact O-N 2.8Å; H340-R343 PolarHBondContact O-N 3.44Å; R343-L346 PolarHBondContact O-N 2.75Å; R343-C347 WeakPolarHBondContact O-CB 3.37Å; R343-C347 PolarHBondContact O-N 2.78Å; R343-C347 PolarHBondContact O-SG 2.87Å
344Q56.7Low53.4Low132 Ų132112.6 Ų112.662%0.61762%0.619SS**Hα-helixtrans-65.2-45.1176-171172.210.700111.5H340 V341 L346 C347 T348H340-Q344 VanDerWaalsContact O-CB 3.29Å; H340-Q344 WeakPolarHBondContact O-CB 3.44Å; H340-Q344 PolarHBondContact O-N 3.29Å; V341-Q344 PolarHBondContact O-N 3.05Å; Q344-L346 VanDerWaalsContact C-N 3.35Å; Q344-L346 PolarHBondContact O-N 2.84Å; Q344-C347 PolarHBondContact O-N 3.48Å; Q344-T348 PolarHBondContact O-N 2.88Å; Q344-T348 PolarHBondContact O-OG1 3.22Å
345A54Low52.5Low51 Ų51114.4 Ų114.442%0.42163%0.629SS.*Hα-helixtrans-59.2-44.317600000112V341 F342 T348 S349V341-A345 WeakPolarHBondContact O-CB 3.4Å; V341-A345 PolarHBondContact O-N 2.77Å; F342-A345 PolarHBondContact O-N 3.07Å; A345-T348 WeakPolarHBondContact CA-OG1 3.31Å; A345-T348 PolarHBondContact O-N 2.67Å; A345-T348 PolarHBondContact O-OG1 2.74Å; A345-S349 PolarHBondContact O-N 2.93Å; A345-S349 PolarHBondContact O-OG 2.89Å
346L51.9Low51.6Low107 Ų107116.5 Ų116.556%0.5665%0.646SS**Hα-helixtrans-62.7-44.8175.1-71.2168.5000112.3F342 R343 Q344 T348 S349F342-L346 HydrophobicContact CD1-CD1 4.11Å; F342-L346 VanDerWaalsContact O-CG 3.31Å; F342-L346 WeakPolarHBondContact O-CG 3.38Å; F342-L346 PolarHBondContact O-N 3.2Å; R343-L346 PolarHBondContact O-N 2.75Å; Q344-L346 VanDerWaalsContact C-N 3.35Å; Q344-L346 PolarHBondContact O-N 2.84Å; L346-T348 VanDerWaalsContact C-N 3.29Å; L346-T348 PolarHBondContact O-N 3.36Å; L346-S349 PolarHBondContact O-N 2.87Å; L346-S349 VanDerWaalsContact O-N 3.12Å
347C52.1Low50.5Low89 Ų89118.5 Ų118.560%0.60166%0.663SS**Hα-helixtrans-64.9-28.2177-70.30000113.5R343 Q344R343-C347 WeakPolarHBondContact O-CB 3.37Å; R343-C347 PolarHBondContact O-N 2.78Å; R343-C347 PolarHBondContact O-SG 2.87Å; Q344-C347 PolarHBondContact O-N 3.48Å
348T54.6Low49.7Very low102 Ų102116.9 Ų116.963%0.62667%0.668SS**Hα-helixtrans-78.8-16.2173.349.30000114Q344 A345 L346Q344-T348 PolarHBondContact O-N 2.88Å; Q344-T348 PolarHBondContact O-OG1 3.22Å; A345-T348 WeakPolarHBondContact CA-OG1 3.31Å; A345-T348 PolarHBondContact O-N 2.67Å; A345-T348 PolarHBondContact O-OG1 2.74Å; L346-T348 VanDerWaalsContact C-N 3.29Å; L346-T348 PolarHBondContact O-N 3.36Å
349S51.4Low49.1Very low87 Ų87120.3 Ų120.361%0.60868%0.677SS**Hα-helixtrans-91.2-13-175.6-630000115A345 L346A345-S349 PolarHBondContact O-N 2.93Å; A345-S349 PolarHBondContact O-OG 2.89Å; L346-S349 PolarHBondContact O-N 2.87Å; L346-S349 VanDerWaalsContact O-N 3.12Å
350T48.1Very low48.2Very low118 Ų118122.7 Ų122.772%0.72469%0.686SS**SBendtrans-96.94.4-178.1500000114.4I352T350-I352 VanDerWaalsContact C-N 3.3Å; T350-I352 PolarHBondContact O-N 3.3Å
351A43.4Very low47.2Very low80 Ų80121.1 Ų121.166%0.66169%0.691SS**  trans-87.234.3-17500000114.9K353A351-K353 PolarHBondContact O-N 3.36Å
352I43.7Very low46.2Very low162 Ų162124.4 Ų124.483%0.83170%0.704SS**  trans-82.5106.4172.3-60.6-178.5000108.4T350T350-I352 VanDerWaalsContact C-N 3.3Å; T350-I352 PolarHBondContact O-N 3.3Å
353K41.7Very low45.5Very low188 Ų188123.3 Ų123.382%0.81771%0.709SS**  trans-66.4140.4-177.5-71-177.4176.1-178.80112.4A351 N355A351-K353 PolarHBondContact O-N 3.36Å; K353-N355 PolarHBondContact O-N 3.14Å
354S34.3Very low44.6Very low115 Ų115119.9 Ų119.980%0.80471%0.709SS**  trans-72.1107.6165.852.70000111.6
355N39.2Very low43.8Very low148 Ų148119.5 Ų119.579%0.79172%0.718SS**  trans-127.8115.9153.7-79.6-12.5000105.2K353K353-N355 PolarHBondContact O-N 3.14Å
356A41.9Very low42.7Very low95 Ų95126.8 Ų126.879%0.78574%0.74SS**  86.7123.260.700000113.3
357A42Very low42Very low91 Ų91126.5 Ų126.575%0.75275%0.747SS**  trans69.8104.616500000121.4
358N41.9Very low41.2Very low146 Ų146131.5 Ų131.578%0.78176%0.758SS**  75.2155.6125.9-63.82.1000124.1
359H46.1Very low40.3Very low163 Ų163138.2 Ų138.276%0.75577%0.774SS**  trans73.488.1165.9-69.8-69.1000120.9
360N40.3Very low39.5Very low140 Ų140139.4 Ų139.475%0.74978%0.782SS**  39.2118.6118.4-63.97.1000120.6
361S38Very low38.9Very low102 Ų102139.4 Ų139.471%0.71378%0.782SS**  trans53.5123.2135.965.10000120.7
362I38.2Very low38.6Very low157 Ų157142.5 Ų142.581%0.80579%0.793SS**  -169.8137.6106.8-97.5158.6000112.5
363V39.8Very low38.3Very low129 Ų129143.5 Ų143.578%0.78279%0.791SS**  trans15135.9155.3-169.90000121.5
364V37.2Very low38.3Very low115 Ų115139.3 Ų139.370%0.69778%0.783SS**  trans-90.5149.4172.7-178.20000111.9K366V364-K366 HydrophobicContact CG1-CG 4.33Å
365P39.1Very low38.5Very low124 Ų124142.1 Ų142.181%0.80579%0.789SS**  trans-128.2138.9135.514.85.2000113.5
366K31.7Very low38.6Very low205 Ų205139.1 Ų139.189%0.89178%0.779SS**  trans-83.9143.4176.3-63.7174.3-179.4173.30110.8V364V364-K366 HydrophobicContact CG1-CG 4.33Å
367S37.9Very low38.4Very low100 Ų100138.6 Ų138.670%0.69977%0.774SS**  trans-145.2117.3170.4-176.80000113.3
368K35.5Very low38.3Very low194 Ų194140.1 Ų140.184%0.84377%0.774SS**  trans61.4116.1150.9-63175.5-177178.40119.5
369Y35.5Very low38.1Very low244 Ų244141 Ų14196%0.95778%0.778SS**  trans-63.6143.1167.9-68.9-107.6000112.2
370S35Very low37.7Very low112 Ų112140.6 Ų140.678%0.78378%0.776SS**  trans-151.5125.6158-171.90000110.9
371T35.2Very low37.5Very low118 Ų118145 Ų14572%0.72478%0.782SS**  trans-8.6114.4179.457.10000118.8
372T36.7Very low37.4Very low145 Ų145145 Ų14589%0.8978%0.778SS**PPolyproline II helixtrans-70.4124.2157.640.10000110.3
373K36.2Very low37.2Very low183 Ų183148.8 Ų148.880%0.79678%0.782SS**PPolyproline II helixtrans-103135.4165.8-72.9-178179175.60109.1
374P42.6Very low37.2Very low100 Ų100147.9 Ų147.965%0.64978%0.782SS**PPolyproline II helixtrans-69.4153.9-178.728.5-34.8000112.1S376P374-S376 PolarHBondContact O-N 3.2Å
375L38.3Very low37.4Very low174 Ų174150.8 Ų150.891%0.91179%0.788SS**THydrogen-bonded Turntrans-69.713.5-175.1-116.1139.4000115.1
376S41.8Very low37.6Very low84 Ų84151.8 Ų151.859%0.58779%0.786SS**THydrogen-bonded Turntrans-85-12.5-177.551.60000114.7P374 V378P374-S376 PolarHBondContact O-N 3.2Å; S376-V378 PolarHBondContact O-N 2.98Å
377A38.4Very low38.1Very low84 Ų84145.8 Ų145.869%0.69478%0.782SS**THydrogen-bonded Turntrans-78.1-13-169.400000115.9
378V38.8Very low39Very low124 Ų124146.8 Ų146.875%0.75278%0.777SS**THydrogen-bonded Turntrans-88.3-22.8-169.4-179.10000113.6S376 H380S376-V378 PolarHBondContact O-N 2.98Å; V378-H380 PolarHBondContact O-N 3.12Å
379L37.8Very low40.9Very low165 Ų165141.9 Ų141.986%0.86476%0.763SS**SBendtrans-87.89.1-170.8-71174.5000115.7
380H38.1Very low42.4Very low154 Ų154135.7 Ų135.771%0.71375%0.753SS**  trans-103.910.5-166.2-119.6-79.9000116.7V378V378-H380 PolarHBondContact O-N 3.12Å
381R35.8Very low44.3Very low232 Ų232138.1 Ų138.188%0.87575%0.75SS**SBendtrans-126.754.7-166.4-156-179.5-166.8174.74115.7
382T35.2Very low46.1Very low102 Ų102134.2 Ų134.263%0.62673%0.729SS**  trans-167.720.8163.45.60000114.8S384 L386T382-S384 VanDerWaalsContact C-N 3.29Å; T382-S384 PolarHBondContact O-N 2.97Å; T382-L386 HydrophobicContact CG2-CD1 3.69Å; T382-L386 HydrophobicContact CG2-CG 4.46Å
383R34.4Very low47.7Very low236 Ų236133.6 Ų133.689%0.89171%0.714SS**THydrogen-bonded Turntrans-82.858.4-168.2-165.3174173.3157-2.5113.8
384S39.6Very low49.7Very low110 Ų110131.1 Ų131.177%0.76970%0.704SS**THydrogen-bonded Turntrans-155.2-33.6174.150.30000116.7T382T382-S384 VanDerWaalsContact C-N 3.29Å; T382-S384 PolarHBondContact O-N 2.97Å
385E41.6Very low51.2Low176 Ų176134 Ų13482%0.82270%0.702SS**THydrogen-bonded Turntrans-127.2-5-162.6-64.6-166.1138.200117.7
386L42.5Very low52.7Low145 Ų145127.4 Ų127.476%0.75967%0.672SS**  trans-103.6123.5-174.8-63.4176.8000112.4T382T382-L386 HydrophobicContact CG2-CD1 3.69Å; T382-L386 HydrophobicContact CG2-CG 4.46Å
387G43Very low54.1Low79 Ų79131.2 Ų131.281%0.81467%0.673SS**SBendtrans174.6-21.6175.300000117.4
388M56.6Low55.8Low121 Ų121130.5 Ų130.560%0.59666%0.656SS**  trans-133135.9178.8-59.9-172.787.700111.5A392 A396M388-A392 HydrophobicContact CB-CB 4.27Å; M388-A392 HydrophobicContact CE-CB 4.04Å; M388-A396 HydrophobicContact CE-CB 4.03Å
389T75.9Confident57.4Low91 Ų91129.8 Ų129.856%0.55865%0.647SS**  trans-67.6157.1169.264.80000110.3K391 A392 K393T389-K391 PolarHBondContact O-N 3Å; T389-K391 VanDerWaalsContact O-N 3.16Å; T389-A392 PolarHBondContact O-N 2.93Å; T389-A392 WeakPolarHBondContact OG1-CB 3.11Å; T389-A392 PolarHBondContact OG1-N 2.91Å; T389-K393 PolarHBondContact O-N 3.17Å
390P67.8Low58.7Low115 Ų115126.2 Ų126.275%0.74763%0.628SS**Hα-helixtrans-54.1-36.9176.3-28.135.9000113.2K393 K394P390-K393 PolarHBondContact O-N 3.39Å; P390-K394 PolarHBondContact O-N 3.1Å
391K74.4Confident60Low163 Ų163124.1 Ų124.171%0.70962%0.619SS**Hα-helixtrans-68.1-35.2176.3-165.9168.8-174.3170.70113T389 R395T389-K391 PolarHBondContact O-N 3Å; T389-K391 VanDerWaalsContact O-N 3.16Å; K391-R395 PolarHBondContact O-N 2.99Å
392A73.1Confident61.3Low35 Ų35118.4 Ų118.429%0.28961%0.605SS.*Hα-helixtrans-73-39172.700000111.8M388 T389 R395 A396M388-A392 HydrophobicContact CB-CB 4.27Å; M388-A392 HydrophobicContact CE-CB 4.04Å; T389-A392 PolarHBondContact O-N 2.93Å; T389-A392 WeakPolarHBondContact OG1-CB 3.11Å; T389-A392 PolarHBondContact OG1-N 2.91Å; A392-R395 PolarHBondContact O-N 3.15Å; A392-A396 WeakPolarHBondContact O-CB 3.49Å; A392-A396 PolarHBondContact O-N 3.22Å
393K70.7Confident62.2Low133 Ų133117.6 Ų117.658%0.57859%0.594SS**Hα-helixtrans-66.7-33.6175.7-166.1172.3-176.5175.80112.3T389 P390 R397T389-K393 PolarHBondContact O-N 3.17Å; P390-K393 PolarHBondContact O-N 3.39Å; K393-R397 PolarHBondContact O-N 2.94Å
394K76.6Confident63Low131 Ų131112.8 Ų112.857%0.5758%0.582SS**Hα-helixtrans-64.9-52170-163.6-178.4-167.4-89.40111.1P390 A396 R397 E398P390-K394 PolarHBondContact O-N 3.1Å; K394-A396 VanDerWaalsContact C-N 3.27Å; K394-A396 PolarHBondContact O-N 3.33Å; K394-R397 WeakPolarHBondContact O-CA 3.35Å; K394-R397 WeakPolarHBondContact O-CB 3.5Å; K394-R397 PolarHBondContact O-N 2.9Å; K394-E398 HydrophobicContact CG-CG 4.34Å; K394-E398 IonicContact NZ-OE1 2.6Å; K394-E398 PolarHBondContact NZ-OE1 2.95Å; K394-E398 WeakPolarHBondContact O-CG 3.33Å; K394-E398 PolarHBondContact O-N 2.7Å
395R74.6Confident63.5Low161 Ų161111.6 Ų111.661%0.60857%0.57SS**Hα-helixtrans-58.2-34.8177.1-80.9-175.8168.5-172.3-5114.1K391 A392 R397 E398 L399K391-R395 PolarHBondContact O-N 2.99Å; A392-R395 PolarHBondContact O-N 3.15Å; R395-R397 VanDerWaalsContact C-N 3.34Å; R395-E398 VanDerWaalsContact CA-OE2 3.31Å; R395-E398 WeakPolarHBondContact CA-OE2 3.46Å; R395-E398 WeakPolarHBondContact CG-OE2 3.32Å; R395-L399 WeakPolarHBondContact O-CB 3.41Å; R395-L399 VanDerWaalsContact O-CG 3.29Å; R395-L399 WeakPolarHBondContact O-CG 3.38Å; R395-L399 PolarHBondContact O-N 3.19Å
396A71.1Confident63.8Low35 Ų35107.9 Ų107.929%0.28956%0.559SS.*Hα-helixtrans-66.8-33.717500000112.8M388 A392 K394 L400M388-A396 HydrophobicContact CE-CB 4.03Å; A392-A396 WeakPolarHBondContact O-CB 3.49Å; A392-A396 PolarHBondContact O-N 3.22Å; K394-A396 VanDerWaalsContact C-N 3.27Å; K394-A396 PolarHBondContact O-N 3.33Å; A396-L400 WeakPolarHBondContact O-CD1 3.49Å; A396-L400 VanDerWaalsContact O-CG 3.3Å; A396-L400 WeakPolarHBondContact O-CG 3.48Å; A396-L400 PolarHBondContact O-N 3Å
397R71Confident63.8Low163 Ų163105.7 Ų105.762%0.61555%0.548SS*.Hα-helixtrans-72.1-48.7171.3-77.4-176.9168.1172.3-7.8111.9K393 K394 R395 L399 L400 E401K393-R397 PolarHBondContact O-N 2.94Å; K394-R397 WeakPolarHBondContact O-CA 3.35Å; K394-R397 WeakPolarHBondContact O-CB 3.5Å; K394-R397 PolarHBondContact O-N 2.9Å; R395-R397 VanDerWaalsContact C-N 3.34Å; R397-L399 PolarHBondContact O-N 2.79Å; R397-L399 VanDerWaalsContact O-N 3.14Å; R397-L400 PolarHBondContact O-N 3.41Å; R397-E401 WeakPolarHBondContact O-CG 3.45Å; R397-E401 PolarHBondContact O-N 3.2Å
398E73.5Confident63.7Low69 Ų69109.2 Ų109.232%0.32254%0.543SS..Hα-helixtrans-55.3-33.9177.7-66.9166160.400112.1K394 R395 L402K394-E398 HydrophobicContact CG-CG 4.34Å; K394-E398 IonicContact NZ-OE1 2.6Å; K394-E398 PolarHBondContact NZ-OE1 2.95Å; K394-E398 WeakPolarHBondContact O-CG 3.33Å; K394-E398 PolarHBondContact O-N 2.7Å; R395-E398 VanDerWaalsContact CA-OE2 3.31Å; R395-E398 WeakPolarHBondContact CA-OE2 3.46Å; R395-E398 WeakPolarHBondContact CG-OE2 3.32Å; E398-L402 WeakPolarHBondContact O-CD1 3.42Å; E398-L402 VanDerWaalsContact O-CG 3.28Å; E398-L402 WeakPolarHBondContact O-CG 3.28Å; E398-L402 PolarHBondContact O-N 2.7Å
399L72.3Confident62.9Low110 Ų110111 Ų11158%0.57655%0.554SS**Hα-helixtrans-75.9-37.8174.4-74.3169.8000113.6R395 R397 L402 E403R395-L399 WeakPolarHBondContact O-CB 3.41Å; R395-L399 VanDerWaalsContact O-CG 3.29Å; R395-L399 WeakPolarHBondContact O-CG 3.38Å; R395-L399 PolarHBondContact O-N 3.19Å; R397-L399 PolarHBondContact O-N 2.79Å; R397-L399 VanDerWaalsContact O-N 3.14Å; L399-L402 PolarHBondContact O-N 2.95Å; L399-E403 WeakPolarHBondContact O-CB 3.47Å; L399-E403 PolarHBondContact O-N 3.13Å
400L64.6Low61Low90 Ų90110.6 Ų110.647%0.47156%0.556SS.*Hα-helixtrans-68.6-40.6176.4-74.1166.8000111.7A396 R397 L402 E403 E404A396-L400 WeakPolarHBondContact O-CD1 3.49Å; A396-L400 VanDerWaalsContact O-CG 3.3Å; A396-L400 WeakPolarHBondContact O-CG 3.48Å; A396-L400 PolarHBondContact O-N 3Å; R397-L400 PolarHBondContact O-N 3.41Å; L400-L402 PolarHBondContact O-N 3.08Å; L400-E403 PolarHBondContact O-N 3.46Å; L400-E404 PolarHBondContact O-N 2.94Å
401E66.9Low59.3Low110 Ų110108.8 Ų108.851%0.51455%0.545SS..Hα-helixtrans-61.3-33.6175.7-69.8158.6-164.300111.5R397 T405R397-E401 WeakPolarHBondContact O-CG 3.45Å; R397-E401 PolarHBondContact O-N 3.2Å; E401-T405 WeakPolarHBondContact O-CG2 3.25Å; E401-T405 PolarHBondContact O-N 3.24Å; E401-T405 PolarHBondContact O-OG1 3.32Å
402L62.9Low57.2Low111 Ų111108.4 Ų108.458%0.58155%0.55SS*.Hα-helixtrans-77.9-22.2172-72170.5000113.9E398 L399 L400 T405 T406E398-L402 WeakPolarHBondContact O-CD1 3.42Å; E398-L402 VanDerWaalsContact O-CG 3.28Å; E398-L402 WeakPolarHBondContact O-CG 3.28Å; E398-L402 PolarHBondContact O-N 2.7Å; L399-L402 PolarHBondContact O-N 2.95Å; L400-L402 PolarHBondContact O-N 3.08Å; L402-T405 WeakPolarHBondContact CA-OG1 3.48Å; L402-T405 PolarHBondContact O-OG1 2.88Å; L402-T406 WeakPolarHBondContact O-CG2 3.42Å; L402-T406 PolarHBondContact O-OG1 2.94Å
403E53Low55.2Low85 Ų85113.6 Ų113.640%0.39757%0.568SS.*Hα-helixtrans-86.1-38.7178.7-161.1162.6-134.500111.1L399 L400 T406 L407L399-E403 WeakPolarHBondContact O-CB 3.47Å; L399-E403 PolarHBondContact O-N 3.13Å; L400-E403 PolarHBondContact O-N 3.46Å; E403-T406 PolarHBondContact O-N 3.41Å; E403-T406 PolarHBondContact O-OG1 3.03Å; E403-L407 HydrophobicContact CG-CD1 4.06Å; E403-L407 WeakPolarHBondContact O-CB 3.44Å; E403-L407 VanDerWaalsContact O-CG 3.24Å; E403-L407 WeakPolarHBondContact O-CG 3.26Å; E403-L407 PolarHBondContact O-N 3.29Å
404E51Low53.3Low136 Ų136114.7 Ų114.764%0.63658%0.578SS**Hα-helixtrans-60.8-50.2171.1-71.2-178.7147.300111.2L400 T406 L407 E408L400-E404 PolarHBondContact O-N 2.94Å; E404-T406 PolarHBondContact O-N 3.15Å; E404-T406 VanDerWaalsContact O-N 3.14Å; E404-L407 PolarHBondContact O-N 2.95Å; E404-L407 VanDerWaalsContact O-N 3.07Å; E404-E408 PolarHBondContact O-N 2.87Å; E404-E408 VanDerWaalsContact O-N 3.08Å
405T49.9Very low51.2Low85 Ų85115.9 Ų115.952%0.52159%0.586SS.*Hα-helixtrans-63.8-17.7178.448.20000114.5E401 L402E401-T405 WeakPolarHBondContact O-CG2 3.25Å; E401-T405 PolarHBondContact O-N 3.24Å; E401-T405 PolarHBondContact O-OG1 3.32Å; L402-T405 WeakPolarHBondContact CA-OG1 3.48Å; L402-T405 PolarHBondContact O-OG1 2.88Å
406T48.1Very low49.1Very low97 Ų97115.4 Ų115.460%0.59560%0.595SS**Hα-helixtrans-99.1-17.3172.950.30000114L402 E403 E404L402-T406 WeakPolarHBondContact O-CG2 3.42Å; L402-T406 PolarHBondContact O-OG1 2.94Å; E403-T406 PolarHBondContact O-N 3.41Å; E403-T406 PolarHBondContact O-OG1 3.03Å; E404-T406 PolarHBondContact O-N 3.15Å; E404-T406 VanDerWaalsContact O-N 3.14Å
407L43.9Very low47.3Very low99 Ų99119.6 Ų119.652%0.51862%0.623SS.*Hα-helixtrans-84.8-33.5174.9-75.5169.4000113.2E403 E404 L409 S410 S411E403-L407 HydrophobicContact CG-CD1 4.06Å; E403-L407 WeakPolarHBondContact O-CB 3.44Å; E403-L407 VanDerWaalsContact O-CG 3.24Å; E403-L407 WeakPolarHBondContact O-CG 3.26Å; E403-L407 PolarHBondContact O-N 3.29Å; E404-L407 PolarHBondContact O-N 2.95Å; E404-L407 VanDerWaalsContact O-N 3.07Å; L407-L409 VanDerWaalsContact C-N 3.27Å; L407-L409 PolarHBondContact O-N 3.14Å; L407-S410 PolarHBondContact O-N 3.05Å; L407-S410 PolarHBondContact O-OG 3.1Å; L407-S411 PolarHBondContact O-OG 2.99Å
408E39.4Very low45.5Very low154 Ų154116.8 Ų116.872%0.7263%0.628SS**G310 helixtrans-59.9-37177.2-70-157.614300112.4E404 S410 S411E404-E408 PolarHBondContact O-N 2.87Å; E404-E408 VanDerWaalsContact O-N 3.08Å; E408-S410 PolarHBondContact O-N 3.03Å; E408-S411 WeakPolarHBondContact O-CB 3.43Å; E408-S411 PolarHBondContact O-N 2.57Å
409L39.8Very low43.6Very low157 Ų157121.2 Ų121.282%0.82265%0.653SS**G310 helixtrans-64.7-7.1174.4-78.3166.8000114.8L407L407-L409 VanDerWaalsContact C-N 3.27Å; L407-L409 PolarHBondContact O-N 3.14Å
410S36.8Very low41.5Very low84 Ų84120.4 Ų120.459%0.58766%0.656SS**G310 helixtrans-101.7-5.3171.372.70000113.9L407 E408 I412L407-S410 PolarHBondContact O-N 3.05Å; L407-S410 PolarHBondContact O-OG 3.1Å; E408-S410 PolarHBondContact O-N 3.03Å; S410-I412 PolarHBondContact O-N 3.39Å
411S32.3Very low39.9Very low76 Ų76123.4 Ų123.453%0.53167%0.672SS.*  trans-9763.3-170.7-63.30000112.5L407 E408 H413L407-S411 PolarHBondContact O-OG 2.99Å; E408-S411 WeakPolarHBondContact O-CB 3.43Å; E408-S411 PolarHBondContact O-N 2.57Å; S411-H413 PolarHBondContact O-N 2.88Å
412I30.9Very low38.2Very low156 Ų156125.4 Ų125.480%0.869%0.685SS**  trans-64.397.4174.3-60.5-179.8000109.6S410 I414S410-I412 PolarHBondContact O-N 3.39Å; I412-I414 PolarHBondContact O-N 3.19Å
413H30.4Very low36.6Very low144 Ų144123 Ų12367%0.66769%0.688SS**  trans-65.5116.6174.6-117.175.8000109.7S411 Q415S411-H413 PolarHBondContact O-N 2.88Å; H413-Q415 PolarHBondContact O-N 2.83Å
414I30.3Very low35.7Very low156 Ų156127.2 Ų127.280%0.871%0.705SS**  trans-89.398.7164.3-58.1177.5000106.7I412I412-I414 PolarHBondContact O-N 3.19Å
415Q32.2Very low34.8Very low155 Ų155128.8 Ų128.872%0.72471%0.712SS**  trans-113.9123.6165.9-90.2175.7-3.400109.3H413H413-Q415 PolarHBondContact O-N 2.83Å
416D30.4Very low34Very low151 Ų151128.5 Ų128.581%0.80771%0.714SS**  trans-68.6126.2162.8-64.3-70.3000109.2
417S34.5Very low33.2Very low124 Ų124131.6 Ų131.687%0.86773%0.726SS**  trans-164.3147.5142.4-85.70000111.9
418S32.1Very low32.9Very low104 Ų104132 Ų13273%0.72774%0.738SS**  trans-88-175.7176.550.80000111.8
419L33.6Very low32.8Very low161 Ų161130.4 Ų130.484%0.84373%0.734SS**  trans84137176.4-47.7175.3000114.5
420S28.7Very low32.7Very low93 Ų93130.5 Ų130.565%0.6573%0.728SS**  cis155.4146.2-33.752.40000108.3
421L30.6Very low32.7Very low153 Ų153133.2 Ų133.280%0.80174%0.736SS**  trans80.4137.2157.7-128.974.6000118.4
422L32.4Very low33.1Very low152 Ų152138.8 Ų138.880%0.79675%0.745SS**  trans67.1139.6167.2-56.6156.5000116.4F424L422-F424 HydrophobicContact CD2-CE2 4.33Å
423G28.1Very low33.5Very low61 Ų61138.6 Ų138.663%0.62974%0.74SS**  cis155.9149.4-12.100000114.1
424F34.2Very low33.7Very low174 Ų174138.2 Ų138.276%0.76374%0.743SS**  trans83134.7161.1-63.8-81.2000122.1L422L422-F424 HydrophobicContact CD2-CE2 4.33Å
425H33.4Very low33.9Very low168 Ų168139.2 Ų139.278%0.77875%0.746SS**  trans63.2154153.4-66.9-59.8000121.7
426S31.9Very low34.5Very low80 Ų80136.6 Ų136.656%0.55974%0.743SS**  -178.7133.3-56.244.70000110
427D31.7Very low34.9Very low161 Ų161135.4 Ų135.486%0.86174%0.743SS**  trans61.1157.5173.5-49.6-43.7000115.4
428S36.8Very low35.2Very low108 Ų108135.2 Ų135.276%0.75574%0.739SS**  cis-154.6158.416.954.10000114.3
429D38.4Very low35.4Very low120 Ų120137.6 Ų137.664%0.64275%0.749SS**  trans60.2125146.5-93.2-19.2000125.6
430K36.2Very low35.4Very low159 Ų159133.4 Ų133.469%0.69175%0.745SS**  trans56.3109.4131.8-65.3162.6-173.3128.70121.8
431D38.2Very low35.7Very low141 Ų141138.2 Ų138.275%0.75476%0.757SS**  171.6165.7102.1-98-12.4000111.1
432R40.4Very low35.8Very low194 Ų194139.5 Ų139.573%0.73276%0.759SS**  cis-170148.1-45.2-130.3-174.6-177.7-161.81.2107.7
433H39.9Very low36.3Very low151 Ų151136.7 Ų136.770%0.69975%0.75SS**  trans64.1163.2173.3-61.6-81.4000118.4
434L33.5Very low36.7Very low137 Ų137143.7 Ų143.772%0.71776%0.757SS**  -176.8136.7-54.9-118.4163.5000109.7
435M35.8Very low36.9Very low177 Ų177143.3 Ų143.387%0.87276%0.758SS**  trans174.2130.2135.7-98.6-166.180.200112.6
436P44.8Very low37Very low100 Ų100139.4 Ų139.465%0.64976%0.755SS**  trans-103.2169.8171.138.8-32.8000113.5
437P38.3Very low37.3Very low125 Ų125141.1 Ų141.181%0.81277%0.767SS**  trans-89.7158.8-177.435.9-36.3000114.7
438P40.9Very low37.6Very low121 Ų121138.1 Ų138.179%0.78676%0.758SS**  trans-110.5139.3-178.338.1-30.5000115.8
439T35Very low37.8Very low153 Ų153141.2 Ų141.294%0.93976%0.761SS**  trans-155.4127.2158.649.30000111
440G34.2Very low37.6Very low73 Ų73142.8 Ų142.875%0.75377%0.769SS**  trans158.3112.3165.500000119
441Q35.9Very low37.3Very low194 Ų194139.8 Ų139.891%0.90777%0.768SS**  trans61112.1139.3-63175.1-31.500122.9
442E32.4Very low37Very low180 Ų180138.9 Ų138.984%0.84177%0.768SS**  37167.1107.6-93.2-166.9-148.900123.3
443P42.4Very low36.5Very low94 Ų94136.9 Ų136.961%0.6177%0.771SS**  cis-141.8-167.5-17.630-5.4000116.2
444R36.5Very low36.1Very low208 Ų208137.2 Ų137.279%0.78578%0.775SS**  trans96.2117.5156.5-60.5-172-179.8-156.12.3119
445Q37.4Very low36Very low166 Ų166133.9 Ų133.978%0.77677%0.774SS**  89.3142.992.4-75.9-179.2-37.400114.4
446A36.9Very low35.8Very low86 Ų86132.3 Ų132.371%0.71177%0.768SS**  cis-162.4-173.9-700000111.5
447S36.7Very low35.4Very low116 Ų116133 Ų13381%0.81177%0.769SS**  trans82.6150.9174.580.70000116.8
448S38.9Very low35.3Very low98 Ų98134.5 Ų134.569%0.68577%0.766SS**  cis-169.8152.9-22.6480000113.8
449Q40.2Very low35Very low173 Ų173136.5 Ų136.581%0.80876%0.764SS**  trans61.4117.7154-69.7176.98.500121.9
450N34.4Very low35.2Very low152 Ų152134.5 Ų134.581%0.81375%0.752SS**  34.9149.5121.8-51.31.9000121.8
451S31.7Very low35.3Very low96 Ų96138.9 Ų138.967%0.67175%0.753SS**  cis179.7156.5-21.258.40000110.6
452T30.1Very low35.9Very low123 Ų123133.7 Ų133.776%0.75574%0.736SS**  trans76.9100146.4-52.30000120.8
453L30.9Very low36.4Very low152 Ų152132.9 Ų132.980%0.79673%0.73SS**  81.3150.1127.5-148.277.8000122.7
454M31.8Very low36.3Very low157 Ų157135.7 Ų135.777%0.77374%0.735SS**  trans82.9145.1162.2-56.8-55.3-73.600120.8
455G31.3Very low36.4Very low68 Ų68130.8 Ų130.870%0.70173%0.733SS**  trans103.3100.1168.300000114.2
456I32.1Very low36.4Very low144 Ų144126.7 Ų126.774%0.73872%0.722SS**  cis90.198.847.3-64.7176.5000113.3
457V34.6Very low36.3Very low113 Ų113131.7 Ų131.769%0.68573%0.728SS**  trans73153.1134.9171.30000116.6
458E36.5Very low36.4Very low157 Ų157132.3 Ų132.373%0.73473%0.726SS**  cis-148.7156.423.7-147.6124.4-131.200114.2
459E35.9Very low36.2Very low163 Ų163135 Ų13576%0.76273%0.728SS**  trans46.5162146.5-75.4-178.2178.300123.9
460T37.6Very low36.1Very low111 Ų111135 Ų13568%0.68173%0.728SS**  cis-148.4140-1.27.10000107.4
461E37.2Very low36.2Very low165 Ų165132.1 Ų132.177%0.77172%0.72SS**  72.4152.953.9-75.1-75.496.800115.2
462P48.5Very low36.2Very low85 Ų85135.9 Ų135.955%0.55273%0.729SS**  cis-144.9-173.9-42.636.1-16.3000116.1
463K43.5Very low36.6Very low163 Ų163136.7 Ų136.771%0.70973%0.734SS**  163.7114.5120.4-85.5-166.2174.6-133.40113.8
464E39.2Very low36.7Very low153 Ų153133.4 Ų133.472%0.71573%0.728SS**  77.9140.695.7-71.4-170.9103.800115.8
465S38.6Very low37.1Very low106 Ų106131.2 Ų131.274%0.74173%0.726SS**  cis-172.5177.4-18.2760000108.1
466S38.5Very low37.3Very low80 Ų80133.7 Ų133.756%0.55973%0.728SS**  cis-168.6145.2-9.7119.70000110.9
467K34.7Very low37.8Very low191 Ų191133 Ų13383%0.8373%0.73SS**  trans70.1151.2157.1-64.4168.2-169.4171.60117.2
468V37.5Very low37.8Very low128 Ų128133.2 Ų133.278%0.77673%0.734SS**  cis-137.2155.840.1172.10000114.6
469Q36.4Very low37.8Very low154 Ų154131.9 Ų131.972%0.7274%0.736SS**  trans-38159.5167.3-71.4142.8-57.100116.3
470Q37.6Very low37.5Very low173 Ų173130.6 Ų130.681%0.80874%0.74SS**  cis-159.318013.4-130.2-174107.500108.5
471S35.9Very low37.4Very low93 Ų93132.2 Ų132.265%0.6575%0.749SS**  cis-147.4-114.72.3560000112.9
472M32.3Very low37Very low175 Ų175134.9 Ų134.986%0.86275%0.752SS**  trans-151.4164.9-170.7-68.3-173.9170.800108
473V37.1Very low36Very low139 Ų139136.8 Ų136.884%0.84277%0.766SS**  cis-152.4150.445.9173.20000112.2
474A33.8Very low35.5Very low83 Ų83136.8 Ų136.869%0.68677%0.769SS**  trans-138.3-178160.300000106.8
475P41.4Very low35.1Very low112 Ų112137.5 Ų137.573%0.72778%0.777SS**  cis-146.9-145.313.136.6-10.1000114.5
476T34.3Very low34.8Very low120 Ų120140.8 Ų140.874%0.73678%0.778SS**  trans90.1116.9149.4390000123.8
477V42.8Very low34.4Very low128 Ų128144.3 Ų144.378%0.77679%0.79SS**  trans85.2131.9134.9172.30000119.5
478P35.1Very low34.3Very low119 Ų119141.5 Ų141.577%0.77379%0.79SS**  trans-98.2155.1-177.238.6-35.5000114.2
479T36.5Very low34.1Very low128 Ų128141.6 Ų141.679%0.78579%0.791SS**  trans-130.5127.7174.8-530000112.6V481T479-V481 PolarHBondContact O-N 3.22Å
480T30.1Very low34Very low137 Ų137142.2 Ų142.284%0.8480%0.797SS**  trans-49.2125.4173.8-48.30000113.5
481V34.2Very low33.8Very low144 Ų144138.9 Ų138.987%0.87379%0.793SS**  trans-105.3131.7167.4-178.30000110.5T479T479-V481 PolarHBondContact O-N 3.22Å
482R28.9Very low33.7Very low221 Ų221139.9 Ų139.983%0.83480%0.797SS**  trans-89.1142.3-166.9-175.7175.8-177.8155.8-3111.1Q484R482-Q484 PolarHBondContact O-N 2.98Å
483C27.8Very low33.8Very low125 Ų125139.9 Ų139.985%0.84580%0.799SS**  trans-55.9126.5173.9-720000111.2
484Q33.6Very low33.6Very low163 Ų163138.3 Ų138.376%0.76279%0.794SS**  trans-108.6121.5164.6-72.6-169.3-13.200109.5R482 F486R482-Q484 PolarHBondContact O-N 2.98Å; Q484-F486 HydrophobicContact CB-CE2 4.46Å; Q484-F486 PolarHBondContact O-N 3.23Å
485L29.5Very low33.4Very low169 Ų169142.4 Ų142.489%0.88580%0.804SS**  trans-80.3107176.5-70.9160.9000109.1N487L485-N487 PolarHBondContact O-N 3.48Å
486F33.7Very low33Very low174 Ų174148.5 Ų148.576%0.76381%0.812SS**  trans-90.7101168.3-91.1-83.6000110.9Q484 T488Q484-F486 HydrophobicContact CB-CE2 4.46Å; Q484-F486 PolarHBondContact O-N 3.23Å; F486-T488 PolarHBondContact O-N 3.38Å
487N29.1Very low32.8Very low154 Ų154147.9 Ų147.982%0.82482%0.819SS**PPolyproline II helixtrans-64.6118163.4-76.7-26.1000109.2L485L485-N487 PolarHBondContact O-N 3.48Å
488T32.9Very low32.5Very low133 Ų133147.2 Ų147.282%0.81682%0.82SS**PPolyproline II helixtrans-101.7116162.141.90000109.3F486F486-T488 PolarHBondContact O-N 3.38Å
489T33.3Very low32.2Very low130 Ų130147.2 Ų147.280%0.79882%0.823SS**PPolyproline II helixtrans-74.2140.4-177.632.20000111.8S491T489-S491 PolarHBondContact O-N 3.14Å
490I33.9Very low32.2Very low166 Ų166147 Ų14785%0.85183%0.826SS**  trans-78.3111.7177.1-61.1171.8000108.8P492I490-P492 WeakPolarHBondContact O-CD 3.34Å
491S32.6Very low32.2Very low104 Ų104147.9 Ų147.973%0.72782%0.821SS**  trans-88116.5169.8-65.80000110.6T489 I493T489-S491 PolarHBondContact O-N 3.14Å; S491-I493 PolarHBondContact O-N 3.31Å
492P34.5Very low32.3Very low114 Ų114150.8 Ų150.874%0.7482%0.816SS**  trans-79.5120176.730.9-32.3000110.9I490 S494I490-P492 WeakPolarHBondContact O-CD 3.34Å; P492-S494 PolarHBondContact O-N 3.08Å; P492-S494 VanDerWaalsContact O-N 3.09Å
493I35Very low32.6Very low175 Ų175147.2 Ų147.290%0.89781%0.809SS**  trans-70.8106167.5-66178.8000107.8S491S491-I493 PolarHBondContact O-N 3.31Å
494S32.6Very low33Very low105 Ų105148.8 Ų148.873%0.73481%0.808SS**  trans-79.2144.5-178.1-167.40000111.9P492P492-S494 PolarHBondContact O-N 3.08Å; P492-S494 VanDerWaalsContact O-N 3.09Å
495L30.5Very low33.1Very low170 Ų170147 Ų14789%0.8981%0.813SS**  trans-72.8126.4175.2-69.2162.9000110.3
496R31.3Very low33.2Very low240 Ų240142 Ų14291%0.90680%0.804SS**  trans-130.9116.9156.1-83.8-169.3172.8179-1.1110.5
497A30.2Very low33.4Very low106 Ų106142.2 Ų142.288%0.87681%0.811SS**  trans-85138.9155.300000108.3
498S36.3Very low33.7Very low114 Ų114143.4 Ų143.480%0.79781%0.811SS**  trans-147.2109168.554.50000108.8
499S30.4Very low33.9Very low119 Ų119141.8 Ų141.883%0.83280%0.803SS**  trans-85.112917851.70000111.3
500S35.4Very low34.1Very low123 Ų123144 Ų14486%0.8681%0.806SS**  trans-130.4139.8163.3-63.40000109
501Q31.4Very low34.1Very low157 Ų157143.9 Ų143.973%0.73480%0.802SS**  trans-110.8164.9179.5-59.8-175.6-3900111.1
502R35.7Very low34.3Very low204 Ų204148.6 Ų148.677%0.7781%0.813SS**  trans70.8158165.3-51.9172.9-159.9-166.10.7114.4
503E35.3Very low34.1Very low147 Ų147148.6 Ų148.669%0.68781%0.811SS**  cis-130.3137.2-0.6-115.3118.4-132.700107.9
504L35.5Very low34.3Very low158 Ų158146.8 Ų146.883%0.82781%0.808SS**  70.9139.989.8-85.5172.3000117.1
505S36.8Very low34.4Very low124 Ų124147.9 Ų147.987%0.86781%0.81SS**  trans66.1145.9-176.275.50000116.2
506G30.8Very low34.4Very low66 Ų66144.4 Ų144.468%0.6881%0.805SS**  cis150.2122.3-13.500000113.6
507I37.7Very low34.5Very low177 Ų177138.4 Ų138.491%0.90880%0.8SS**  trans-173.5148.2154.5-98.7150.2000107.2
508Q36Very low34.7Very low180 Ų180138.9 Ų138.984%0.84179%0.794SS**  trans-135-169.3-173.7-138.1-164.3-21.900110.8
509P37.7Very low34.7Very low98 Ų98141.9 Ų141.964%0.63680%0.796SS**  -108.2-177.4-125.641.1-26.1000114.5
510M35.8Very low34.9Very low176 Ų176144.1 Ų144.187%0.86779%0.793SS**  trans-119.2143.5155.3-81.3-99.769.200109.5
511E34.6Very low34.7Very low165 Ų165144.2 Ų144.277%0.77179%0.791SS**  trans-92.1154.1174.2-57.8172.3112.600110.2
512E36.4Very low34.8Very low202 Ų202142.1 Ų142.194%0.94479%0.792SS**  trans-144.8134.2141.8-156.2167-140.300109.7
513T30.9Very low34.8Very low115 Ų115140 Ų14071%0.70680%0.795SS**  trans-133.4128.3-172.5-62.80000109
514V38.1Very low34.7Very low136 Ų136142.2 Ų142.282%0.82480%0.797SS**  trans-157.1125.4160.9125.50000113.1
515V35.8Very low34.6Very low129 Ų129145.3 Ų145.378%0.78280%0.798SS**  trans51.9126.8150.2-176.50000120.8
516A30.4Very low34.5Very low96 Ų96144.8 Ų144.879%0.79379%0.794SS**  trans-111158.5161.500000111.5
517S33.1Very low34.5Very low115 Ų115148.5 Ų148.580%0.80480%0.804SS**  trans-148.5128.6163.856.40000111.7
518P35.4Very low34.2Very low115 Ų115151.1 Ų151.175%0.74780%0.802SS**  trans-115.3149.9-177.839.2-31.8000114.5
519Q35.4Very low33.9Very low178 Ų178150.2 Ų150.283%0.83280%0.802SS**  trans173154.9156.6-96.315974.300107.5
520Q33.7Very low33.5Very low165 Ų165150 Ų15077%0.77181%0.809SS**  cis-153.215610.9-127.8172.843.700109.6
521P32.2Very low33.2Very low125 Ų125147.2 Ų147.281%0.81281%0.807SS**  trans-112.2151.6177.238.6-31.2000115.6
522C33.5Very low33.1Very low114 Ų114144.8 Ų144.877%0.7781%0.808SS**  trans-147119.216654.50000110.7
523L34.8Very low32.7Very low158 Ų158143.3 Ų143.383%0.82780%0.803SS**  58.3131.990-60.7176.1000113.1
524R33.8Very low32.7Very low195 Ų195149.3 Ų149.374%0.73681%0.813SS**  cis-174.314334.7-145178.8-169.8-176.85.6113
525R33.8Very low32.5Very low222 Ų222147.8 Ų147.884%0.83881%0.808SS**  trans62.2159.9154.2-76.9172.3177.4179.9-2.4118.3
526S33.9Very low32.5Very low113 Ų113150.2 Ų150.279%0.7981%0.811SS**  cis-141.6172.214.7650000113.9
527V31.6Very low32.5Very low145 Ų145152.7 Ų152.788%0.87981%0.811SS**  trans-134.4140.4-176.8172.30000110.8
528R30.8Very low32.5Very low231 Ų231158.5 Ų158.587%0.87282%0.817SS**  trans-166.5148.4163-95.6179.3-169.7175.12106.3
529L31Very low32.4Very low162 Ų162156.6 Ų156.685%0.84882%0.818SS**  cis-148.2161.57.6-104.9152000109.1
530A29.3Very low32.3Very low94 Ų94153 Ų15378%0.77782%0.818SS**  trans-158.3134.9168.900000111.9
531S28.2Very low32.4Very low117 Ų117153.2 Ų153.282%0.81882%0.824SS**  trans172.8122.8154.254.20000113.3
532S32.3Very low32.5Very low114 Ų114152.4 Ų152.480%0.79782%0.818SS**  trans159.5102.1139.4-170.70000108.2
533M28.5Very low32.4Very low170 Ų170156.5 Ų156.584%0.83782%0.823SS**  78.7134.558-78.4-71.6169.800116
534R31.5Very low32.4Very low241 Ų241155.1 Ų155.191%0.90982%0.821SS**  trans73.9138.9171.2-71.8178.8179.3-171.2-0.8116.6
535S34.2Very low32.3Very low104 Ų104153.6 Ų153.673%0.72782%0.824SS**  cis-165.9171.4-10.4-151.50000114.3
536Q34.8Very low32.2Very low181 Ų181150.2 Ų150.285%0.84682%0.822SS**  trans82.8157.5158-65.4-172.5-8.300121
537N30.1Very low32.2Very low148 Ų148151.5 Ų151.579%0.79182%0.819SS**  trans-121.3-165.2-157.7-83-20.2000112.2
538Y34.5Very low32.1Very low236 Ų236156.6 Ų156.693%0.92582%0.823SS**  trans83.1142.9-177.3-50.1-68.5000113.6
539G33.5Very low32.2Very low75 Ų75156 Ų15677%0.77382%0.821SS**  cis169.5135.8-2.800000108.3
540A32.1Very low32.1Very low102 Ų102153.6 Ų153.684%0.84382%0.818SS**  trans-91.3139.5-165.200000114.4
541I35.5Very low32.2Very low171 Ų171155.5 Ų155.588%0.87782%0.82SS**  trans-165.3153.9152.1-106.6154.1000109.4
542P34.5Very low32.3Very low107 Ų107160.7 Ų160.770%0.69582%0.821SS**  trans-120.8177.1-149.943.1-33.1000117.1
543K32.1Very low32.2Very low201 Ų201161.8 Ų161.887%0.87482%0.817SS**  trans58.298.9160.9-69.8-179.4178.6177.40118.3
544V33.8Very low32.3Very low129 Ų129158.9 Ų158.978%0.78282%0.821SS**  trans-132.3131.1143-179.20000108.9
545M32.2Very low32.3Very low163 Ų163151 Ų15180%0.80381%0.814SS**  trans-80.5127.5172.9-68172.466.400109.9L547M545-L547 HydrophobicContact CE-CD1 4.27Å
546N31.9Very low32.4Very low150 Ų150153.1 Ų153.180%0.80282%0.816SS**  trans-133.298166.4-95.3-52.2000110.4R548N546-R548 PolarHBondContact O-N 2.56Å
547L33.3Very low32.3Very low140 Ų140154.9 Ų154.973%0.73382%0.815SS**  trans-66.1112.3168.3-88.467.6000108.4M545 R549M545-L547 HydrophobicContact CE-CD1 4.27Å; L547-R549 PolarHBondContact O-N 3.46Å
548R30.6Very low32.4Very low253 Ų253156.6 Ų156.696%0.95582%0.818SS**  trans-71.280172.8-160.6175.8-166.8176.94.3109.6N546 S550N546-R548 PolarHBondContact O-N 2.56Å; R548-S550 PolarHBondContact O-N 3.05Å
549R31.6Very low32.4Very low217 Ų217155 Ų15582%0.81982%0.819SS**  trans-53.2129.3178.2-81.2-176.8168178.1-3.2110L547 T551L547-R549 PolarHBondContact O-N 3.46Å; R549-T551 PolarHBondContact O-N 3.03Å
550S29.1Very low32.3Very low112 Ų112155.8 Ų155.878%0.78382%0.818SS**  trans-73.9104172.1-175.70000109.7R548 R552R548-S550 PolarHBondContact O-N 3.05Å; S550-R552 VanDerWaalsContact C-N 3.33Å; S550-R552 PolarHBondContact O-N 2.85Å
551T32.5Very low32.1Very low134 Ų134157.2 Ų157.282%0.82282%0.817SS**  trans-9067.417552.10000110.9R549R549-T551 PolarHBondContact O-N 3.03Å
552R29.3Very low31.8Very low227 Ų227154.3 Ų154.386%0.85781%0.811SS**  trans-139.776.8167-84-167.9172.2-175.3-1.8110.4S550S550-R552 VanDerWaalsContact C-N 3.33Å; S550-R552 PolarHBondContact O-N 2.85Å
553L30.4Very low31.6Very low136 Ų136156 Ų15671%0.71282%0.82SS**  trans-168.967.7159.3-109171.1000109.9P618L553-P618 HydrophobicContact CD1-CG 3.86Å
554A30.3Very low31.5Very low110 Ų110152.6 Ų152.691%0.90982%0.815SS**  trans-148.884.3172.400000107.6
555G32.9Very low31.4Very low75 Ų75152.2 Ų152.277%0.77381%0.813SS**SBendtrans170.711.8-170.200000116.7
556I35.8Very low31.3Very low148 Ų148154.1 Ų154.176%0.75982%0.816SS**SBendtrans-133.856.6175.1-44.3179.9000109.6
557R31.9Very low31.5Very low218 Ų218153.9 Ų153.982%0.82382%0.815SS**SBendtrans-156.46.8165.8-129.5176-174.9-178.80.8118
558E33.6Very low31.6Very low185 Ų185156.6 Ų156.686%0.86482%0.824SS**SBendtrans-128.556.3-178-71.8-177.7170.400112.5
559H33.8Very low31.6Very low202 Ų202150.4 Ų150.494%0.93582%0.815SS**SBendtrans-137.320166.2-91.8-58.9000113.2
560A31Very low31.7Very low92 Ų92147 Ų14776%0.7681%0.813SS**SBendtrans-12832.1-176.200000113.7
561T28.9Very low32Very low132 Ų132146.2 Ų146.281%0.8181%0.813SS**SBendtrans-163.5149.6162.214.40000110.4
562S28.8Very low32.1Very low110 Ų110147.5 Ų147.577%0.76981%0.813SS**  trans50.489.8167.3620000118.8
563V30Very low32.4Very low143 Ų143141.2 Ų141.287%0.86780%0.802SS**  -129.4113.6120.1178.50000109.2
564V30.7Very low32.8Very low129 Ų129143 Ų14378%0.78281%0.806SS**  trans11.7124.2151.4-174.20000118.7
565V30.3Very low33Very low121 Ų121145.9 Ų145.973%0.73381%0.805SS**  trans-68.2132.8165.8172.70000111.2N567V565-N567 HydrophobicContact CG1-CB 4.14Å
566K30.6Very low32.7Very low202 Ų202153.7 Ų153.788%0.87881%0.811SS**  trans-120.297.8150.3-88.7-166.8172.4-168.50108.2
567N35.3Very low32.7Very low146 Ų146152.5 Ų152.578%0.78182%0.816SS**  trans-114.6137.7159.5-76.827000106.6V565V565-N567 HydrophobicContact CG1-CB 4.14Å
568E35.6Very low32.7Very low197 Ų197148.4 Ų148.492%0.92182%0.816SS**  trans-79.5168.1178.6-67.7174.5137.900111
569T31.6Very low32.8Very low123 Ų123146.5 Ų146.576%0.75582%0.816SS**  trans-70.9147.7-177.955.60000110.5
570D34Very low32.9Very low145 Ų145145.9 Ų145.978%0.77581%0.814SS**  -164.5155.681.6-82.1-22.3000113.3
571A34.3Very low32.9Very low95 Ų95151 Ų15179%0.78582%0.819SS**  trans51.1136.2149.700000119.5
572I35.4Very low33.1Very low161 Ų161154.2 Ų154.283%0.82682%0.822SS**  cis-144.6155.817.3-67.4-179.4000108.6
573P35.8Very low33.2Very low96 Ų96160.7 Ų160.762%0.62383%0.829SS**  trans-109.5-172.1-164.937.1-25.7000117.3
574H37.3Very low33.4Very low174 Ų174159.9 Ų159.981%0.80683%0.825SS**  trans81.9144.6179-49.9-86.8000115.5
575L35.5Very low33.7Very low170 Ų170165 Ų16589%0.8983%0.83SS**  cis-111.3167.39.2-95.680.6000114.6
576R27.3Very low34.2Very low238 Ų238167.1 Ų167.190%0.89884%0.837SS**  trans-108143.9168.1-67.9175.7174.3167-2.8111.3
577S36Very low35Very low123 Ų123163.7 Ų163.786%0.8683%0.833SS**  trans-152.6158.3142.469.90000109.8
578T32Very low35.4Very low132 Ų132165.8 Ų165.881%0.8184%0.835SS**  trans-138.9117.8-157.3-48.50000112
579V34.8Very low36.3Very low145 Ų145160.6 Ų160.688%0.87982%0.819SS**  trans-132.7141.7171.4-174.20000112.2
580Q36.3Very low37.7Very low189 Ų189157.9 Ų157.988%0.88381%0.808SS**  trans-66.4164.4-160.6-62.8165.7-20.600117.4
581K30.9Very low39.3Very low199 Ų199155.6 Ų155.687%0.86580%0.802SS**  trans-62.6138.8177.1-60.2165.1-179.8168.20113.2
582K32.2Very low41.2Very low201 Ų201159.5 Ų159.587%0.87480%0.801SS**  trans-122.8124.3144.8-90.2-177.9175.6174.50109.5T584K582-T584 PolarHBondContact O-N 3.44Å
583R30.6Very low43Very low245 Ų245154.2 Ų154.293%0.92578%0.781SS**  trans-81.496.1175.1-66.717287.9170.26.1109
584T35.9Very low45Very low127 Ų127154.7 Ų154.778%0.77977%0.771SS**  trans-72.5141.116542.60000109.8K582K582-T584 PolarHBondContact O-N 3.44Å
585R37Very low46.7Very low236 Ų236149 Ų14989%0.89175%0.745SS**  trans-72.9127.6174.1-75.4174.6167.4160.7-5.7108.6V587R585-V587 PolarHBondContact O-N 2.97Å
586N39.2Very low48.8Very low165 Ų165143.6 Ų143.688%0.88273%0.725SS**  trans-63.7103.7167.8-99.7-5.5000109.1K588N586-K588 PolarHBondContact O-N 2.59Å
587V48.6Very low51.2Low130 Ų130137.4 Ų137.479%0.78871%0.71SS**PPolyproline II helixtrans-68122.8172.6179.30000107.5R585R585-V587 PolarHBondContact O-N 2.97Å
588K43.6Very low53.5Low191 Ų191133.8 Ų133.883%0.8368%0.681SS**PPolyproline II helixtrans-58.8130.8171.3-71.1-177.6177.6179.80108N586 A590N586-K588 PolarHBondContact O-N 2.59Å; K588-A590 PolarHBondContact O-N 2.83Å
589P53.4Low56Low88 Ų88128.8 Ų128.857%0.57165%0.65SS**PPolyproline II helixtrans-57.2137.2177.324.4-33.6000109.6A593P589-A593 HydrophobicContact CB-CB 4.47Å
590A61.7Low58.5Low65 Ų65128 Ų12854%0.53764%0.635SS.*PPolyproline II helixtrans-57145.9-179.600000110.4K588 K592 A593 W594K588-A590 PolarHBondContact O-N 2.83Å; A590-K592 PolarHBondContact O-N 3.03Å; A590-A593 WeakPolarHBondContact O-CB 3.45Å; A590-A593 PolarHBondContact O-N 3.43Å; A590-W594 PolarHBondContact O-N 3.42Å
591P68Low60.8Low98 Ų98123 Ų12364%0.63662%0.62SS**Hα-helixtrans-50.3-40.7-171.7-31.135.9000114.5A593 W594 M595P591-A593 VanDerWaalsContact C-N 3.34Å; P591-A593 PolarHBondContact O-N 3.41Å; P591-W594 PolarHBondContact O-N 2.73Å; P591-W594 VanDerWaalsContact O-N 3.14Å; P591-M595 WeakPolarHBondContact O-CG 3.13Å; P591-M595 PolarHBondContact O-N 2.81Å
592K73.9Confident63.5Low177 Ų177114.3 Ų114.377%0.7758%0.582SS**Hα-helixtrans-57.3-40.5175.7-63.6-171.6176.2-172.70113.5A590 M595 A596A590-K592 PolarHBondContact O-N 3.03Å; K592-M595 PolarHBondContact O-N 3.5Å; K592-A596 WeakPolarHBondContact O-CB 3.48Å; K592-A596 PolarHBondContact O-N 3.47Å
593A73.8Confident66.2Low49 Ų49105.8 Ų105.841%0.40555%0.546SS..Hα-helixtrans-71.9-30.9178.400000112.2P589 A590 P591 N597P589-A593 HydrophobicContact CB-CB 4.47Å; A590-A593 WeakPolarHBondContact O-CB 3.45Å; A590-A593 PolarHBondContact O-N 3.43Å; P591-A593 VanDerWaalsContact C-N 3.34Å; P591-A593 PolarHBondContact O-N 3.41Å; A593-N597 PolarHBondContact O-N 3.49Å
594W76.5Confident69Low107 Ų10797.5 Ų97.541%0.40552%0.52SS..Hα-helixtrans-69.9-45.3172.4-17983000111.7A590 P591 N597 N598 C663A590-W594 PolarHBondContact O-N 3.42Å; P591-W594 PolarHBondContact O-N 2.73Å; P591-W594 VanDerWaalsContact O-N 3.14Å; W594-N597 PolarHBondContact O-N 2.8Å; W594-N598 PolarHBondContact O-N 3.29Å; W594-C663 HydrophobicContact CH2-CB 3.87Å; W594-C663 HydrophobicContact CZ3-CB 4.05Å
595M74.4Confident71.5Confident53 Ų5394.7 Ų94.726%0.26150%0.5SS..Hα-helixtrans-65.4-39.6178.3-62.7-169.9-41.400112.2P591 K592 N597 N598 T599 D665P591-M595 WeakPolarHBondContact O-CG 3.13Å; P591-M595 PolarHBondContact O-N 2.81Å; K592-M595 PolarHBondContact O-N 3.5Å; M595-N597 VanDerWaalsContact C-N 3.35Å; M595-N597 PolarHBondContact O-N 2.86Å; M595-N598 PolarHBondContact O-N 3.24Å; M595-N598 VanDerWaalsContact O-N 3.17Å; M595-T599 WeakPolarHBondContact O-CB 3.2Å; M595-T599 PolarHBondContact O-N 2.91Å; M595-T599 PolarHBondContact O-OG1 3.03Å; M595-D665 VanDerWaalsContact CE-OD1 3.22Å; M595-D665 WeakPolarHBondContact CE-OD1 3.37Å
596A77.8Confident74Confident57 Ų5783.6 Ų83.647%0.47146%0.458SS..Hα-helixtrans-58.5-43.417400000112.6K592 K600K592-A596 WeakPolarHBondContact O-CB 3.48Å; K592-A596 PolarHBondContact O-N 3.47Å; A596-K600 PolarHBondContact O-N 3.39Å
597N79.6Confident76.5Confident109 Ų10977.4 Ų77.458%0.58343%0.425SS*.Hα-helixtrans-67.4-38.6174.3-84.6-15.5000112.5A593 W594 M595 K600 C601A593-N597 PolarHBondContact O-N 3.49Å; W594-N597 PolarHBondContact O-N 2.8Å; M595-N597 VanDerWaalsContact C-N 3.35Å; M595-N597 PolarHBondContact O-N 2.86Å; N597-K600 PolarHBondContact O-N 2.91Å; N597-C601 PolarHBondContact O-N 3.14Å; N597-C601 PolarHBondContact O-SG 3.34Å
598N83.2Confident78.5Confident46 Ų4677.4 Ų77.425%0.24642%0.42CS..Hα-helixtrans-61.1-48.6175.9-168.254.2000111.2W594 M595 K600 C601 F602 N662 C663W594-N598 PolarHBondContact O-N 3.29Å; M595-N598 PolarHBondContact O-N 3.24Å; M595-N598 VanDerWaalsContact O-N 3.17Å; N598-K600 VanDerWaalsContact C-N 3.32Å; N598-K600 PolarHBondContact O-N 3.49Å; N598-C601 PolarHBondContact O-N 3.46Å; N598-F602 VanDerWaalsContact O-CB 3.3Å; N598-F602 WeakPolarHBondContact O-CB 3.45Å; N598-F602 PolarHBondContact O-N 2.85Å; N598-N662 PolarHBondContact ND2-O 2.73Å; N598-C663 PolarHBondContact ND2-O 3.49Å
599T85.5Confident80.5Confident27 Ų2768.3 Ų68.317%0.16638%0.381CS..Hα-helixtrans-58.1-40.8175.1-68.40000112.4M595 F602 L603 L641M595-T599 WeakPolarHBondContact O-CB 3.2Å; M595-T599 PolarHBondContact O-N 2.91Å; M595-T599 PolarHBondContact O-OG1 3.03Å; T599-F602 PolarHBondContact O-N 3.32Å; T599-L603 HydrophobicContact CG2-CD1 4.18Å; T599-L603 WeakPolarHBondContact O-CG 3.24Å; T599-L603 PolarHBondContact O-N 3.19Å; T599-L641 HydrophobicContact CG2-CD1 3.66Å; T599-L641 HydrophobicContact CG2-CG 4.13Å
600K85.8Confident82.2Confident130 Ų13068.1 Ų68.157%0.56538%0.375SS*.Hα-helixtrans-63.5-54.4176.1-174.1178.9176.8-178.90111.7A596 N597 N598 F602 L603 D604A596-K600 PolarHBondContact O-N 3.39Å; N597-K600 PolarHBondContact O-N 2.91Å; N598-K600 VanDerWaalsContact C-N 3.32Å; N598-K600 PolarHBondContact O-N 3.49Å; K600-F602 PolarHBondContact O-N 3.02Å; K600-L603 PolarHBondContact O-N 2.86Å; K600-L603 VanDerWaalsContact O-N 3.08Å; K600-D604 PolarHBondContact O-N 3.39Å
601C85Confident83.5Confident83 Ų8367.6 Ų67.656%0.56137%0.365SS*.Hα-helixtrans-60-31.1179.1-66.10000112.6N597 N598 L605N597-C601 PolarHBondContact O-N 3.14Å; N597-C601 PolarHBondContact O-SG 3.34Å; N598-C601 PolarHBondContact O-N 3.46Å; C601-L605 WeakPolarHBondContact O-CB 3.14Å; C601-L605 PolarHBondContact O-N 2.91Å
602F88.4Confident84.5Confident17 Ų1770.5 Ų70.58%0.07537%0.368CS..Hα-helixtrans-68.7-43.4174.2178.1-96000112.8N598 T599 K600 L605 L606 I617 L641 F658 L664N598-F602 VanDerWaalsContact O-CB 3.3Å; N598-F602 WeakPolarHBondContact O-CB 3.45Å; N598-F602 PolarHBondContact O-N 2.85Å; T599-F602 PolarHBondContact O-N 3.32Å; K600-F602 PolarHBondContact O-N 3.02Å; F602-L605 PolarHBondContact O-N 2.62Å; F602-L606 HydrophobicContact CD1-CD1 4.17Å; F602-L606 HydrophobicContact CD1-CG 4.37Å; F602-L606 HydrophobicContact CE1-CD1 3.38Å; F602-L606 HydrophobicContact CE1-CD2 4.47Å; F602-L606 HydrophobicContact CE1-CG 3.78Å; F602-L606 HydrophobicContact CE2-CG 4.46Å; F602-L606 HydrophobicContact CZ-CD1 3.73Å; F602-L606 HydrophobicContact CZ-CD2 4.02Å; F602-L606 HydrophobicContact CZ-CG 3.81Å; F602-L606 PolarHBondContact O-N 3.46Å; F602-I617 HydrophobicContact CE2-CD1 4.19Å; F602-I617 HydrophobicContact CE2-CG2 3.93Å; F602-L641 HydrophobicContact CD1-CD2 3.73Å; F602-L641 HydrophobicContact CE1-CD2 3.63Å; F602-F658 HydrophobicContact CE1-CE1 4.29Å; F602-F658 HydrophobicContact CE2-CE1 4.16Å; F602-F658 AromaticContact CE2-CZ 3.75Å; F602-F658 HydrophobicContact CE2-CZ 3.75Å; F602-F658 AromaticContact CZ-CE1 3.53Å; F602-F658 HydrophobicContact CZ-CE1 3.53Å; F602-F658 AromaticContact CZ-CZ 3.49Å; F602-F658 HydrophobicContact CZ-CZ 3.49Å; F602-F658 VanDerWaalsContact CZ-CZ 3.49Å; F602-L664 HydrophobicContact CB-CD2 3.93Å; F602-L664 HydrophobicContact CD1-CD1 3.81Å; F602-L664 HydrophobicContact CD1-CD2 3.98Å; F602-L664 HydrophobicContact CD2-CD1 4.27Å; F602-L664 HydrophobicContact CD2-CD2 4.45Å; F602-L664 HydrophobicContact CE1-CD1 3.72Å; F602-L664 HydrophobicContact CE2-CD1 4.2Å; F602-L664 HydrophobicContact CG-CD1 4.1Å; F602-L664 HydrophobicContact CG-CD2 3.84Å; F602-L664 HydrophobicContact CZ-CD1 3.96Å
603L89.2Confident85.2Confident21 Ų2165.7 Ų65.711%0.1135%0.348CS..Hα-helixtrans-65.3-39.6173.4-72.6166.8000111.7T599 K600 L605 L606 N607 F638T599-L603 HydrophobicContact CG2-CD1 4.18Å; T599-L603 WeakPolarHBondContact O-CG 3.24Å; T599-L603 PolarHBondContact O-N 3.19Å; K600-L603 PolarHBondContact O-N 2.86Å; K600-L603 VanDerWaalsContact O-N 3.08Å; L603-L605 VanDerWaalsContact C-N 3.29Å; L603-L605 PolarHBondContact O-N 3.49Å; L603-L606 PolarHBondContact O-N 2.88Å; L603-N607 WeakPolarHBondContact O-CB 3.3Å; L603-N607 PolarHBondContact O-N 2.97Å; L603-N607 PolarHBondContact O-ND2 3Å; L603-F638 HydrophobicContact CD2-CB 4.32Å
604D88.4Confident86Confident72 Ų7263.3 Ų63.339%0.38533%0.329SS..Hα-helixtrans-59.3-40173.4-68.5-33.9000111.3K600 N607 N608K600-D604 PolarHBondContact O-N 3.39Å; D604-N607 PolarHBondContact O-N 2.85Å; D604-N608 WeakPolarHBondContact O-CB 3.22Å; D604-N608 PolarHBondContact O-N 3.29Å; D604-N608 PolarHBondContact O-ND2 3.03Å
605L88.9Confident86.7Confident68 Ų6862.1 Ų62.136%0.35633%0.328SS..Hα-helixtrans-70.5-40.1175.3-177.561.5000112.7C601 F602 L603 N607 G609 Q613 I617C601-L605 WeakPolarHBondContact O-CB 3.14Å; C601-L605 PolarHBondContact O-N 2.91Å; F602-L605 PolarHBondContact O-N 2.62Å; L603-L605 VanDerWaalsContact C-N 3.29Å; L603-L605 PolarHBondContact O-N 3.49Å; L605-N607 VanDerWaalsContact C-N 3.29Å; L605-N607 PolarHBondContact O-N 3.37Å; L605-G609 VanDerWaalsContact O-CA 3.3Å; L605-G609 WeakPolarHBondContact O-CA 3.14Å; L605-G609 PolarHBondContact O-N 2.9Å; L605-Q613 HydrophobicContact CD1-CB 4.46Å; L605-I617 HydrophobicContact CD2-CD1 3.76Å; L605-I617 HydrophobicContact CD2-CG1 3.75Å; L605-I617 HydrophobicContact CG-CD1 4.09Å
606L89.6Confident87.3Confident2 Ų266.2 Ų66.21%0.0135%0.346CS..Hα-helixtrans-62.8-36.1173.8-76.2-171.6000112.3F602 L603 L614 I617 L628 R632 F638 V644F602-L606 HydrophobicContact CD1-CD1 4.17Å; F602-L606 HydrophobicContact CD1-CG 4.37Å; F602-L606 HydrophobicContact CE1-CD1 3.38Å; F602-L606 HydrophobicContact CE1-CD2 4.47Å; F602-L606 HydrophobicContact CE1-CG 3.78Å; F602-L606 HydrophobicContact CE2-CG 4.46Å; F602-L606 HydrophobicContact CZ-CD1 3.73Å; F602-L606 HydrophobicContact CZ-CD2 4.02Å; F602-L606 HydrophobicContact CZ-CG 3.81Å; F602-L606 PolarHBondContact O-N 3.46Å; L603-L606 PolarHBondContact O-N 2.88Å; L606-L614 HydrophobicContact CD2-CD2 3.9Å; L606-I617 HydrophobicContact CD2-CD1 4.13Å; L606-L628 HydrophobicContact CD2-CD1 4.35Å; L606-R632 WeakPolarHBondContact O-CD 3.49Å; L606-R632 PolarHBondContact O-NH1 2.86Å; L606-F638 HydrophobicContact CB-CD2 4.18Å; L606-F638 HydrophobicContact CD1-CD2 4.46Å; L606-V644 HydrophobicContact CD1-CB 4.48Å; L606-V644 HydrophobicContact CD1-CG1 4Å; L606-V644 HydrophobicContact CD1-CG2 3.64Å
607N91.5Very high87.7Confident35 Ų3563.9 Ų63.919%0.18733%0.326CS..Hα-helixtrans-80.5-41.4-177.8-73.9-33000112.8L603 D604 L605 R632 C637 F638L603-N607 WeakPolarHBondContact O-CB 3.3Å; L603-N607 PolarHBondContact O-N 2.97Å; L603-N607 PolarHBondContact O-ND2 3Å; D604-N607 PolarHBondContact O-N 2.85Å; L605-N607 VanDerWaalsContact C-N 3.29Å; L605-N607 PolarHBondContact O-N 3.37Å; N607-R632 WeakPolarHBondContact O-CD 3.17Å; N607-R632 PolarHBondContact O-NE 2.94Å; N607-R632 PolarHBondContact O-NH1 3.37Å; N607-C637 WeakPolarHBondContact OD1-CA 3.44Å; N607-F638 PolarHBondContact ND2-O 3.24Å; N607-F638 PolarHBondContact OD1-N 3.25Å
608N89.7Confident88.1Confident130 Ų13060.9 Ų60.970%0.69531%0.312SS*.Hα-helixtrans-98.5-19.9-174.4-60.4-73.5000114D604D604-N608 WeakPolarHBondContact O-CB 3.22Å; D604-N608 PolarHBondContact O-N 3.29Å; D604-N608 PolarHBondContact O-ND2 3.03Å
609G86.2Confident88.1Confident1 Ų161.5 Ų61.51%0.0133%0.33CS..  trans-65.9140.3-174.500000114.1L605 R632L605-G609 VanDerWaalsContact O-CA 3.3Å; L605-G609 WeakPolarHBondContact O-CA 3.14Å; L605-G609 PolarHBondContact O-N 2.9Å; G609-R632 PolarHBondContact O-NH1 3.11Å; G609-R632 PolarHBondContact O-NH2 2.96Å
610N89.3Confident88.3Confident83 Ų8360.7 Ų60.744%0.44432%0.324SS..  trans-77.2167.7166.87652.4000111.3K612 Q613 L614N610-K612 PolarHBondContact O-N 3.48Å; N610-K612 VanDerWaalsContact O-N 3.1Å; N610-K612 WeakPolarHBondContact OD1-CA 3.3Å; N610-K612 WeakPolarHBondContact OD1-CB 3.47Å; N610-K612 PolarHBondContact OD1-N 3.35Å; N610-Q613 VanDerWaalsContact CG-OE1 3.29Å; N610-Q613 PolarHBondContact ND2-OE1 2.79Å; N610-Q613 PolarHBondContact O-N 2.85Å; N610-Q613 PolarHBondContact OD1-N 3.44Å; N610-Q613 VanDerWaalsContact OD1-N 3.14Å; N610-L614 WeakPolarHBondContact O-CG 3.15Å; N610-L614 PolarHBondContact O-N 3.33Å
611V89.6Confident88.4Confident55 Ų5556 Ų5633%0.33331%0.312SS..THydrogen-bonded Turntrans-62.1-22.6-173.9-173.50000113.3Q615 A625 A629V611-Q615 WeakPolarHBondContact O-CG 3.22Å; V611-Q615 PolarHBondContact O-NE2 2.91Å; V611-A625 HydrophobicContact CG1-CB 4.13Å; V611-A629 HydrophobicContact CG2-CB 3.89Å
612K88.9Confident88.5Confident159 Ų15956.2 Ų56.269%0.69131%0.313SS*.THydrogen-bonded Turntrans-75.6-47.2170.9-66.8-175.1175.6-177.30111.6N610 L614 Q615 E616N610-K612 PolarHBondContact O-N 3.48Å; N610-K612 VanDerWaalsContact O-N 3.1Å; N610-K612 WeakPolarHBondContact OD1-CA 3.3Å; N610-K612 WeakPolarHBondContact OD1-CB 3.47Å; N610-K612 PolarHBondContact OD1-N 3.35Å; K612-L614 PolarHBondContact O-N 3.2Å; K612-Q615 WeakPolarHBondContact O-CA 3.38Å; K612-Q615 WeakPolarHBondContact O-CB 3.46Å; K612-Q615 PolarHBondContact O-N 3.04Å; K612-E616 PolarHBondContact O-N 2.87Å
613Q88.3Confident88.5Confident75 Ų7563.2 Ų63.235%0.3534%0.344SS..Hα-helixtrans-59.2-36.4176.4-67.4169.1-57.800111.7L605 N610 Q615 E616L605-Q613 HydrophobicContact CD1-CB 4.46Å; N610-Q613 VanDerWaalsContact CG-OE1 3.29Å; N610-Q613 PolarHBondContact ND2-OE1 2.79Å; N610-Q613 PolarHBondContact O-N 2.85Å; N610-Q613 PolarHBondContact OD1-N 3.44Å; N610-Q613 VanDerWaalsContact OD1-N 3.14Å; Q613-Q615 PolarHBondContact O-N 3.25Å; Q613-E616 WeakPolarHBondContact O-CB 3.45Å; Q613-E616 PolarHBondContact O-N 3.44Å; Q613-E616 VanDerWaalsContact O-N 3.15Å
614L90.2Very high88.5Confident0 Ų063.7 Ų63.70%035%0.348CS..Hα-helixtrans-65.9-22.1172.9-64.7-179.7000113.8L606 N610 K612 I617 I620 A625 L628 A629L606-L614 HydrophobicContact CD2-CD2 3.9Å; N610-L614 WeakPolarHBondContact O-CG 3.15Å; N610-L614 PolarHBondContact O-N 3.33Å; K612-L614 PolarHBondContact O-N 3.2Å; L614-I617 HydrophobicContact CD2-CD1 4.03Å; L614-I620 VanDerWaalsContact O-CB 3.28Å; L614-I620 WeakPolarHBondContact O-CB 3.33Å; L614-I620 VanDerWaalsContact O-CG2 3.32Å; L614-I620 WeakPolarHBondContact O-CG2 3.21Å; L614-A625 HydrophobicContact CB-CB 3.84Å; L614-L628 HydrophobicContact CD1-CB 4.4Å; L614-A629 HydrophobicContact CD1-CB 4.29Å
615Q90.4Very high88.7Confident81 Ų8160.2 Ų60.238%0.37933%0.33SS..Hα-helixtrans-87.4-11.3173.7-70.8168.486.500113.3V611 K612 Q613 I617 A625V611-Q615 WeakPolarHBondContact O-CG 3.22Å; V611-Q615 PolarHBondContact O-NE2 2.91Å; K612-Q615 WeakPolarHBondContact O-CA 3.38Å; K612-Q615 WeakPolarHBondContact O-CB 3.46Å; K612-Q615 PolarHBondContact O-N 3.04Å; Q613-Q615 PolarHBondContact O-N 3.25Å; Q615-I617 VanDerWaalsContact C-N 3.27Å; Q615-A625 HydrophobicContact CG-CB 3.57Å
616E87Confident88.7Confident140 Ų14063.2 Ų63.265%0.65434%0.34SS*.Hα-helixtrans-77.5-18171.5-67.4164.1-162.400111.4K612 Q613 P618K612-E616 PolarHBondContact O-N 2.87Å; Q613-E616 WeakPolarHBondContact O-CB 3.45Å; Q613-E616 PolarHBondContact O-N 3.44Å; Q613-E616 VanDerWaalsContact O-N 3.15Å; E616-P618 WeakPolarHBondContact O-CD 3.41Å
617I87.6Confident88.8Confident8 Ų864.9 Ų64.94%0.04135%0.352CS..SBendtrans-70.6119.8175.5-57.4175.4000110.1F602 L605 L606 L614 Q615 G619 I620 F658 N662F602-I617 HydrophobicContact CE2-CD1 4.19Å; F602-I617 HydrophobicContact CE2-CG2 3.93Å; L605-I617 HydrophobicContact CD2-CD1 3.76Å; L605-I617 HydrophobicContact CD2-CG1 3.75Å; L605-I617 HydrophobicContact CG-CD1 4.09Å; L606-I617 HydrophobicContact CD2-CD1 4.13Å; L614-I617 HydrophobicContact CD2-CD1 4.03Å; Q615-I617 VanDerWaalsContact C-N 3.27Å; I617-G619 PolarHBondContact O-N 3.39Å; I617-I620 HydrophobicContact CB-CB 4.42Å; I617-I620 HydrophobicContact CB-CD1 3.72Å; I617-I620 HydrophobicContact CB-CG1 3.92Å; I617-I620 HydrophobicContact CD1-CD1 3.86Å; I617-I620 HydrophobicContact CG1-CD1 4.37Å; I617-I620 HydrophobicContact CG2-CD1 3.64Å; I617-I620 HydrophobicContact CG2-CG1 3.83Å; I617-I620 PolarHBondContact O-N 3.24Å; I617-I620 VanDerWaalsContact O-N 3.08Å; I617-F658 HydrophobicContact CG2-CE2 3.88Å; I617-F658 HydrophobicContact CG2-CZ 3.92Å; I617-N662 WeakPolarHBondContact CG2-OD1 3.44Å
618P86.7Confident88.8Confident45 Ų4563.4 Ų63.429%0.29234%0.344SS..THydrogen-bonded Turntrans-52.1122.2178.2-31.638.6000114L553 E616 F658 I661 N662L553-P618 HydrophobicContact CD1-CG 3.86Å; E616-P618 WeakPolarHBondContact O-CD 3.41Å; P618-F658 WeakPolarHBondContact O-CE2 3.49Å; P618-I661 HydrophobicContact CB-CG2 3.43Å; P618-I661 VanDerWaalsContact CB-CG2 3.43Å; P618-I661 HydrophobicContact CG-CG2 4.5Å; P618-N662 WeakPolarHBondContact CD-OD1 3.46Å; P618-N662 PolarHBondContact O-ND2 2.97Å
619G85Confident88.8Confident60 Ų6058 Ų5862%0.61932%0.318SS*.THydrogen-bonded Turntrans96.1-10.4179.800000115.3I617 G621I617-G619 PolarHBondContact O-N 3.39Å; G619-G621 PolarHBondContact O-N 3.28Å
620I88.4Confident89Confident9 Ų961.5 Ų61.55%0.04634%0.336CS..  trans-92.2100.8177.6-50.7-165.4000110.5L614 I617 A625 L628 F658L614-I620 VanDerWaalsContact O-CB 3.28Å; L614-I620 WeakPolarHBondContact O-CB 3.33Å; L614-I620 VanDerWaalsContact O-CG2 3.32Å; L614-I620 WeakPolarHBondContact O-CG2 3.21Å; I617-I620 HydrophobicContact CB-CB 4.42Å; I617-I620 HydrophobicContact CB-CD1 3.72Å; I617-I620 HydrophobicContact CB-CG1 3.92Å; I617-I620 HydrophobicContact CD1-CD1 3.86Å; I617-I620 HydrophobicContact CG1-CD1 4.37Å; I617-I620 HydrophobicContact CG2-CD1 3.64Å; I617-I620 HydrophobicContact CG2-CG1 3.83Å; I617-I620 PolarHBondContact O-N 3.24Å; I617-I620 VanDerWaalsContact O-N 3.08Å; I620-A625 HydrophobicContact CG2-CB 3.79Å; I620-L628 HydrophobicContact CD1-CD1 3.69Å; I620-L628 HydrophobicContact CG2-CD1 4.07Å; I620-F658 HydrophobicContact CD1-CE2 3.87Å; I620-F658 HydrophobicContact CD1-CZ 3.87Å; I620-F658 HydrophobicContact CG1-CD2 4.35Å; I620-F658 HydrophobicContact CG1-CE2 3.49Å; I620-F658 VanDerWaalsContact CG1-CE2 3.49Å; I620-F658 HydrophobicContact CG1-CZ 4.05Å
621G87.4Confident89Confident31 Ų3159.4 Ų59.432%0.3232%0.323SS..  trans-73.4167.3171.400000113G619 K623 S624 A625G619-G621 PolarHBondContact O-N 3.28Å; G621-K623 VanDerWaalsContact C-N 3.27Å; G621-K623 PolarHBondContact O-N 2.91Å; G621-K623 VanDerWaalsContact O-N 3.13Å; G621-S624 WeakPolarHBondContact O-CA 3.46Å; G621-S624 WeakPolarHBondContact O-CB 3.4Å; G621-S624 PolarHBondContact O-N 3.24Å; G621-A625 PolarHBondContact O-N 2.79Å
622P87.6Confident89Confident89 Ų8959.2 Ų59.258%0.57832%0.317SS*.Hα-helixtrans-53.9-39.1-176-24.229.8000114.1F626P622-F626 WeakPolarHBondContact O-CB 3.35Å; P622-F626 PolarHBondContact O-N 2.81Å
623K88.4Confident88.9Confident164 Ų16456.6 Ų56.671%0.71332%0.318SS*.Hα-helixtrans-64.5-45.2175.7-65.9-176178.8-179.50111.8G621 F626 S627G621-K623 VanDerWaalsContact C-N 3.27Å; G621-K623 PolarHBondContact O-N 2.91Å; G621-K623 VanDerWaalsContact O-N 3.13Å; K623-F626 PolarHBondContact O-N 3.13Å; K623-S627 WeakPolarHBondContact O-CB 3.38Å; K623-S627 PolarHBondContact O-N 2.75Å; K623-S627 PolarHBondContact O-OG 2.84Å
624S89.8Confident88.8Confident30 Ų3062.1 Ų62.121%0.2134%0.336CS..Hα-helixtrans-64.9-41.5177.8-58.20000111.8G621 S627 L628G621-S624 WeakPolarHBondContact O-CA 3.46Å; G621-S624 WeakPolarHBondContact O-CB 3.4Å; G621-S624 PolarHBondContact O-N 3.24Å; S624-S627 PolarHBondContact O-N 3.23Å; S624-L628 WeakPolarHBondContact O-CB 3.37Å; S624-L628 WeakPolarHBondContact O-CG 3.4Å; S624-L628 PolarHBondContact O-N 2.95Å
625A91.4Very high88.5Confident0 Ų066.7 Ų66.70%036%0.36CS..Hα-helixtrans-62.8-43176.100000112.2V611 L614 Q615 I620 G621 L628 A629V611-A625 HydrophobicContact CG1-CB 4.13Å; L614-A625 HydrophobicContact CB-CB 3.84Å; Q615-A625 HydrophobicContact CG-CB 3.57Å; I620-A625 HydrophobicContact CG2-CB 3.79Å; G621-A625 PolarHBondContact O-N 2.79Å; A625-L628 PolarHBondContact O-N 3.26Å; A625-A629 WeakPolarHBondContact O-CB 3.5Å; A625-A629 PolarHBondContact O-N 3.49Å
626F90.5Very high88.3Confident131 Ų13165.8 Ų65.858%0.57537%0.372SS*.Hα-helixtrans-65-44.8175.2-175.1-96000112P622 K623 L628 A629 L630P622-F626 WeakPolarHBondContact O-CB 3.35Å; P622-F626 PolarHBondContact O-N 2.81Å; K623-F626 PolarHBondContact O-N 3.13Å; F626-L628 PolarHBondContact O-N 2.99Å; F626-A629 PolarHBondContact O-N 3.08Å; F626-L630 WeakPolarHBondContact O-CB 3.37Å; F626-L630 PolarHBondContact O-N 3.05Å
627S90.2Very high88.3Confident37 Ų3761.9 Ų61.926%0.25936%0.36SS..Hα-helixtrans-63.2-39.3175.6-68.50000112.7K623 S624 L630 H631 I649K623-S627 WeakPolarHBondContact O-CB 3.38Å; K623-S627 PolarHBondContact O-N 2.75Å; K623-S627 PolarHBondContact O-OG 2.84Å; S624-S627 PolarHBondContact O-N 3.23Å; S627-L630 PolarHBondContact O-N 3.45Å; S627-H631 WeakPolarHBondContact O-CB 3.32Å; S627-H631 PolarHBondContact O-CD2 2.97Å; S627-H631 PolarHBondContact O-N 3.42Å; S627-I649 VanDerWaalsContact CB-CG2 3.45Å
628L91.4Very high88.4Confident3 Ų361.7 Ų61.72%0.01636%0.359CS..Hα-helixtrans-62.5-45.7174.4-79.9162.6000111.8L606 L614 I620 S624 A625 F626 L630 H631 R632 F638 V644 L647 I649L606-L628 HydrophobicContact CD2-CD1 4.35Å; L614-L628 HydrophobicContact CD1-CB 4.4Å; I620-L628 HydrophobicContact CD1-CD1 3.69Å; I620-L628 HydrophobicContact CG2-CD1 4.07Å; S624-L628 WeakPolarHBondContact O-CB 3.37Å; S624-L628 WeakPolarHBondContact O-CG 3.4Å; S624-L628 PolarHBondContact O-N 2.95Å; A625-L628 PolarHBondContact O-N 3.26Å; F626-L628 PolarHBondContact O-N 2.99Å; L628-L630 VanDerWaalsContact C-N 3.32Å; L628-L630 PolarHBondContact O-N 3.24Å; L628-H631 PolarHBondContact O-N 2.68Å; L628-R632 WeakPolarHBondContact O-CB 3.36Å; L628-R632 PolarHBondContact O-N 3.36Å; L628-F638 HydrophobicContact CD2-CE2 4.34Å; L628-F638 HydrophobicContact CD2-CZ 4.17Å; L628-V644 HydrophobicContact CD2-CG1 3.98Å; L628-L647 HydrophobicContact CD2-CD1 3.64Å; L628-I649 HydrophobicContact CD1-CD1 4.23Å; L628-I649 HydrophobicContact CD2-CD1 3.74Å; L628-I649 HydrophobicContact CG-CD1 3.7Å
629A90.8Very high88.4Confident18 Ų1866.4 Ų66.415%0.14938%0.377CS..Hα-helixtrans-62.8-37.7175.300000112.5V611 L614 A625 F626 S633V611-A629 HydrophobicContact CG2-CB 3.89Å; L614-A629 HydrophobicContact CD1-CB 4.29Å; A625-A629 WeakPolarHBondContact O-CB 3.5Å; A625-A629 PolarHBondContact O-N 3.49Å; F626-A629 PolarHBondContact O-N 3.08Å; A629-S633 WeakPolarHBondContact O-CB 3.48Å; A629-S633 PolarHBondContact O-N 3.09Å
630L89.6Confident88.5Confident74 Ų7466.3 Ų66.339%0.38736%0.362SS..Hα-helixtrans-67.7-41.2175.3-178.164.9000112.4F626 S627 L628 S633 R634F626-L630 WeakPolarHBondContact O-CB 3.37Å; F626-L630 PolarHBondContact O-N 3.05Å; S627-L630 PolarHBondContact O-N 3.45Å; L628-L630 VanDerWaalsContact C-N 3.32Å; L628-L630 PolarHBondContact O-N 3.24Å; L630-S633 PolarHBondContact O-N 2.95Å; L630-R634 WeakPolarHBondContact O-CG 3.47Å; L630-R634 PolarHBondContact O-N 3.37Å
631H89.6Confident88.4Confident39 Ų3967 Ų6718%0.18137%0.366CS..Hα-helixtrans-69.6-39.8175.9-83-75.7000111.9S627 L628 S633 R634 L635 F638 L647S627-H631 WeakPolarHBondContact O-CB 3.32Å; S627-H631 PolarHBondContact O-CD2 2.97Å; S627-H631 PolarHBondContact O-N 3.42Å; L628-H631 PolarHBondContact O-N 2.68Å; H631-S633 VanDerWaalsContact C-N 3.34Å; H631-S633 PolarHBondContact O-N 3.37Å; H631-R634 PolarHBondContact O-N 3.03Å; H631-L635 WeakPolarHBondContact O-CG 3.49Å; H631-L635 PolarHBondContact O-N 3.14Å; H631-F638 HydrophobicContact CB-CE1 4.37Å; H631-F638 HydrophobicContact CB-CZ 4.08Å; H631-L647 HydrophobicContact CB-CD1 4.03Å; H631-L647 HydrophobicContact CB-CD2 3.91Å
632R90.4Very high88.4Confident51 Ų5172.8 Ų72.819%0.19238%0.383CS..Hα-helixtrans-55.6-48.6169.5-175.6176.574.1-154.813.5111.3L606 N607 G609 L628 R634 L635 G636 F638L606-R632 WeakPolarHBondContact O-CD 3.49Å; L606-R632 PolarHBondContact O-NH1 2.86Å; N607-R632 WeakPolarHBondContact O-CD 3.17Å; N607-R632 PolarHBondContact O-NE 2.94Å; N607-R632 PolarHBondContact O-NH1 3.37Å; G609-R632 PolarHBondContact O-NH1 3.11Å; G609-R632 PolarHBondContact O-NH2 2.96Å; L628-R632 WeakPolarHBondContact O-CB 3.36Å; L628-R632 PolarHBondContact O-N 3.36Å; R632-R634 PolarHBondContact O-N 3.36Å; R632-R634 VanDerWaalsContact O-N 3.08Å; R632-L635 PolarHBondContact O-N 2.96Å; R632-L635 VanDerWaalsContact O-N 3.13Å; R632-G636 CarbonylContact O-C 3.59Å; R632-G636 WeakPolarHBondContact O-CA 3.48Å; R632-G636 PolarHBondContact O-N 3.26Å; R632-F638 HydrophobicContact CB-CE2 3.82Å; R632-F638 HydrophobicContact CB-CZ 4.23Å; R632-F638 HydrophobicContact CG-CE2 4.47Å
633S86.2Confident88.4Confident104 Ų10470.9 Ų70.973%0.72737%0.366SS*.Hα-helixtrans-61.7-16.6177.3-1660000114.1A629 L630 H631A629-S633 WeakPolarHBondContact O-CB 3.48Å; A629-S633 PolarHBondContact O-N 3.09Å; L630-S633 PolarHBondContact O-N 2.95Å; H631-S633 VanDerWaalsContact C-N 3.34Å; H631-S633 PolarHBondContact O-N 3.37Å
634R85.5Confident88.4Confident191 Ų19163.1 Ų63.172%0.72133%0.332SS*.Hα-helixtrans-96.1-27.9174.1-72.9177.7171.4-166.9-3.4114.3L630 H631 R632L630-R634 WeakPolarHBondContact O-CG 3.47Å; L630-R634 PolarHBondContact O-N 3.37Å; H631-R634 PolarHBondContact O-N 3.03Å; R632-R634 PolarHBondContact O-N 3.36Å; R632-R634 VanDerWaalsContact O-N 3.08Å
635L84.7Confident88.4Confident95 Ų9565.4 Ų65.450%0.49734%0.338SS..Hα-helixtrans-99.9-9.7-178.6-62.9172.7000113H631 R632 C637 F638H631-L635 WeakPolarHBondContact O-CG 3.49Å; H631-L635 PolarHBondContact O-N 3.14Å; R632-L635 PolarHBondContact O-N 2.96Å; R632-L635 VanDerWaalsContact O-N 3.13Å; L635-C637 PolarHBondContact O-N 3.09Å; L635-F638 HydrophobicContact CD1-CD1 4.06Å; L635-F638 HydrophobicContact CD1-CE1 3.8Å
636G86.6Confident88.2Confident62 Ų6269.4 Ų69.464%0.63937%0.366SS*.SBendtrans78.9-63.1-167.500000111.2R632R632-G636 CarbonylContact O-C 3.59Å; R632-G636 WeakPolarHBondContact O-CA 3.48Å; R632-G636 PolarHBondContact O-N 3.26Å
637C87.4Confident88.1Confident59 Ų5963.7 Ų63.740%0.39934%0.341SS..SBendtrans-144.6165.5175.964.90000111.6N607 L635N607-C637 WeakPolarHBondContact OD1-CA 3.44Å; L635-C637 PolarHBondContact O-N 3.09Å
638F89Confident87.9Confident3 Ų367.3 Ų67.31%0.01336%0.364CS..  trans-94.8117.1164.6-57.5-70.8000108.6L603 L606 N607 L628 H631 R632 L635 Q643 V644 L647L603-F638 HydrophobicContact CD2-CB 4.32Å; L606-F638 HydrophobicContact CB-CD2 4.18Å; L606-F638 HydrophobicContact CD1-CD2 4.46Å; N607-F638 PolarHBondContact ND2-O 3.24Å; N607-F638 PolarHBondContact OD1-N 3.25Å; L628-F638 HydrophobicContact CD2-CE2 4.34Å; L628-F638 HydrophobicContact CD2-CZ 4.17Å; H631-F638 HydrophobicContact CB-CE1 4.37Å; H631-F638 HydrophobicContact CB-CZ 4.08Å; R632-F638 HydrophobicContact CB-CE2 3.82Å; R632-F638 HydrophobicContact CB-CZ 4.23Å; R632-F638 HydrophobicContact CG-CE2 4.47Å; L635-F638 HydrophobicContact CD1-CD1 4.06Å; L635-F638 HydrophobicContact CD1-CE1 3.8Å; F638-Q643 HydrophobicContact CD1-CB 4.28Å; F638-V644 HydrophobicContact CB-CG2 4.05Å; F638-V644 HydrophobicContact CD1-CG2 3.99Å; F638-V644 HydrophobicContact CD2-CG2 4.45Å; F638-V644 HydrophobicContact CG-CG2 3.92Å; F638-L647 HydrophobicContact CE1-CD1 3.85Å; F638-L647 HydrophobicContact CE1-CD2 4.44Å; F638-L647 HydrophobicContact CZ-CD1 3.94Å
639E85.7Confident87.7Confident144 Ų14468.2 Ų68.267%0.67337%0.369SS*.  trans-78.8-28.6178.9-58.8174135.500111.8Q643E639-Q643 PolarHBondContact OE2-NE2 3.49Å
640N87.6Confident87.5Confident59 Ų5969.2 Ų69.232%0.31637%0.369SS..SBendtrans-155.4163-173.358.366.2000112.1F642 Q643N640-F642 PolarHBondContact O-N 3.17Å; N640-F642 WeakPolarHBondContact OD1-CA 3.37Å; N640-F642 VanDerWaalsContact OD1-CB 3.32Å; N640-F642 WeakPolarHBondContact OD1-CB 3.44Å; N640-F642 PolarHBondContact OD1-N 2.96Å; N640-F642 VanDerWaalsContact OD1-N 3.09Å; N640-Q643 PolarHBondContact O-N 3.32Å; N640-Q643 PolarHBondContact OD1-N 3.26Å
641L87Confident87.1Confident22 Ų2269.1 Ų69.112%0.11537%0.374CS..Hα-helixtrans-63.1-23.8177.8-75.8170.9000113.6T599 F602 V644 K645 W655 L664T599-L641 HydrophobicContact CG2-CD1 3.66Å; T599-L641 HydrophobicContact CG2-CG 4.13Å; F602-L641 HydrophobicContact CD1-CD2 3.73Å; F602-L641 HydrophobicContact CE1-CD2 3.63Å; L641-V644 WeakPolarHBondContact O-CB 3.43Å; L641-V644 PolarHBondContact O-N 2.89Å; L641-V644 VanDerWaalsContact O-N 3.11Å; L641-K645 WeakPolarHBondContact O-CB 3.39Å; L641-K645 PolarHBondContact O-N 3.36Å; L641-W655 HydrophobicContact CB-CH2 4.38Å; L641-W655 HydrophobicContact CB-CZ2 4.4Å; L641-W655 HydrophobicContact CD2-CH2 4.18Å; L641-W655 WeakPolarHBondContact O-CH2 3.48Å; L641-L664 HydrophobicContact CD1-CB 4.14Å; L641-L664 HydrophobicContact CD1-CD2 4.43Å; L641-L664 HydrophobicContact CD2-CD1 4.02Å
642F87Confident86.9Confident154 Ų15470.2 Ų70.268%0.67540%0.397SS*.Hα-helixtrans-69.7-36.4-179.6-170.7-93.6000112.1N640 V644 K645 S646N640-F642 PolarHBondContact O-N 3.17Å; N640-F642 WeakPolarHBondContact OD1-CA 3.37Å; N640-F642 VanDerWaalsContact OD1-CB 3.32Å; N640-F642 WeakPolarHBondContact OD1-CB 3.44Å; N640-F642 PolarHBondContact OD1-N 2.96Å; N640-F642 VanDerWaalsContact OD1-N 3.09Å; F642-V644 PolarHBondContact O-N 3.48Å; F642-K645 WeakPolarHBondContact O-CB 3.48Å; F642-K645 PolarHBondContact O-N 3.39Å; F642-S646 PolarHBondContact O-N 3.41Å; F642-S646 PolarHBondContact O-OG 3.31Å
643Q87.5Confident86.6Confident48 Ų4873.5 Ų73.522%0.22442%0.418CS..Hα-helixtrans-64.5-25.8169.4-72.3170.3-4.600113.1F638 E639 N640 S646 L647F638-Q643 HydrophobicContact CD1-CB 4.28Å; E639-Q643 PolarHBondContact OE2-NE2 3.49Å; N640-Q643 PolarHBondContact O-N 3.32Å; N640-Q643 PolarHBondContact OD1-N 3.26Å; Q643-S646 PolarHBondContact O-OG 3.04Å; Q643-L647 WeakPolarHBondContact O-CG 3.3Å
644V88.7Confident86.7Confident1 Ų173.7 Ų73.71%0.00641%0.406CS..Hα-helixtrans-80.5-39.1173.7-169.20000110.4L606 L628 F638 L641 F642 S646 L647 W650 W655L606-V644 HydrophobicContact CD1-CB 4.48Å; L606-V644 HydrophobicContact CD1-CG1 4Å; L606-V644 HydrophobicContact CD1-CG2 3.64Å; L628-V644 HydrophobicContact CD2-CG1 3.98Å; F638-V644 HydrophobicContact CB-CG2 4.05Å; F638-V644 HydrophobicContact CD1-CG2 3.99Å; F638-V644 HydrophobicContact CD2-CG2 4.45Å; F638-V644 HydrophobicContact CG-CG2 3.92Å; L641-V644 WeakPolarHBondContact O-CB 3.43Å; L641-V644 PolarHBondContact O-N 2.89Å; L641-V644 VanDerWaalsContact O-N 3.11Å; F642-V644 PolarHBondContact O-N 3.48Å; V644-S646 PolarHBondContact O-N 3.45Å; V644-L647 WeakPolarHBondContact O-CB 3.42Å; V644-L647 WeakPolarHBondContact O-CG 3.3Å; V644-L647 PolarHBondContact O-N 3.01Å; V644-W650 HydrophobicContact CG1-CZ2 4.18Å; V644-W650 PolarHBondContact O-NE1 3.02Å; V644-W655 HydrophobicContact CB-CH2 4.17Å; V644-W655 HydrophobicContact CB-CZ3 4.22Å; V644-W655 HydrophobicContact CG1-CH2 4.37Å; V644-W655 HydrophobicContact CG1-CZ3 3.99Å
645K89.2Confident86.9Confident79 Ų7964.9 Ų64.934%0.34337%0.373SS..Hα-helixtrans-62.5-36.3177.4-171.5172.8-171.3169.40113L641 F642 L647 W655 T666L641-K645 WeakPolarHBondContact O-CB 3.39Å; L641-K645 PolarHBondContact O-N 3.36Å; F642-K645 WeakPolarHBondContact O-CB 3.48Å; F642-K645 PolarHBondContact O-N 3.39Å; K645-L647 VanDerWaalsContact C-N 3.26Å; K645-L647 PolarHBondContact O-N 2.93Å; K645-W655 HydrophobicContact CB-CD2 4.03Å; K645-W655 HydrophobicContact CB-CE3 4.26Å; K645-W655 HydrophobicContact CB-CH2 3.96Å; K645-W655 HydrophobicContact CB-CZ2 3.71Å; K645-W655 HydrophobicContact CB-CZ3 4.23Å; K645-W655 HydrophobicContact CD-CD2 4.36Å; K645-W655 HydrophobicContact CD-CG 4.43Å; K645-W655 HydrophobicContact CD-CZ2 4.19Å; K645-W655 VanDerWaalsContact CE-CD1 3.47Å; K645-W655 HydrophobicContact CG-CD2 3.78Å; K645-W655 HydrophobicContact CG-CE3 4.43Å; K645-W655 HydrophobicContact CG-CG 3.98Å; K645-W655 HydrophobicContact CG-CZ2 4.08Å; K645-T666 PolarHBondContact NZ-OXT 3.28Å
646S87.4Confident87.1Confident83 Ų8364 Ų6458%0.5837%0.366SS*.THydrogen-bonded Turntrans-76.2-5.7-179.5640000114.8F642 Q643 V644F642-S646 PolarHBondContact O-N 3.41Å; F642-S646 PolarHBondContact O-OG 3.31Å; Q643-S646 PolarHBondContact O-OG 3.04Å; V644-S646 PolarHBondContact O-N 3.45Å
647L88Confident87.1Confident11 Ų1169.1 Ų69.16%0.05837%0.366CS..SBendtrans-71.4138.4179.2-59.3-175.6000111.8L628 H631 F638 Q643 V644 K645 I649 W650L628-L647 HydrophobicContact CD2-CD1 3.64Å; H631-L647 HydrophobicContact CB-CD1 4.03Å; H631-L647 HydrophobicContact CB-CD2 3.91Å; F638-L647 HydrophobicContact CE1-CD1 3.85Å; F638-L647 HydrophobicContact CE1-CD2 4.44Å; F638-L647 HydrophobicContact CZ-CD1 3.94Å; Q643-L647 WeakPolarHBondContact O-CG 3.3Å; V644-L647 WeakPolarHBondContact O-CB 3.42Å; V644-L647 WeakPolarHBondContact O-CG 3.3Å; V644-L647 PolarHBondContact O-N 3.01Å; K645-L647 VanDerWaalsContact C-N 3.26Å; K645-L647 PolarHBondContact O-N 2.93Å; L647-I649 HydrophobicContact CB-CD1 4.07Å; L647-I649 HydrophobicContact CB-CG1 3.93Å; L647-I649 HydrophobicContact CD1-CD1 4.02Å; L647-I649 PolarHBondContact O-N 3.33Å; L647-W650 PolarHBondContact O-N 3.43Å
648P86Confident87.3Confident114 Ų11466.6 Ų66.674%0.7435%0.348SS*.THydrogen-bonded Turntrans-71.921-178.431.9-37.6000114.5
649I87.3Confident87.2Confident22 Ų2266.4 Ų66.411%0.11335%0.347CS..THydrogen-bonded Turntrans-88.4-20.4176.366.5-175.2000112.3S627 L628 L647S627-I649 VanDerWaalsContact CB-CG2 3.45Å; L628-I649 HydrophobicContact CD1-CD1 4.23Å; L628-I649 HydrophobicContact CD2-CD1 3.74Å; L628-I649 HydrophobicContact CG-CD1 3.7Å; L647-I649 HydrophobicContact CB-CD1 4.07Å; L647-I649 HydrophobicContact CB-CG1 3.93Å; L647-I649 HydrophobicContact CD1-CD1 4.02Å; L647-I649 PolarHBondContact O-N 3.33Å
650W87.4Confident87.3Confident38 Ų3866.2 Ų66.214%0.14435%0.346CS..  trans-95.8107.1-179.2-45.8111.5000110.3V644 L647 K654 W655 F658V644-W650 HydrophobicContact CG1-CZ2 4.18Å; V644-W650 PolarHBondContact O-NE1 3.02Å; L647-W650 PolarHBondContact O-N 3.43Å; W650-K654 HydrophobicContact CE3-CB 4.18Å; W650-W655 HydrophobicContact CB-CB 4.36Å; W650-W655 AromaticContact CD1-CE3 3.95Å; W650-W655 AromaticContact CD2-CE3 3.93Å; W650-W655 HydrophobicContact CD2-CE3 3.93Å; W650-W655 AromaticContact CE2-CE3 3.57Å; W650-W655 AromaticContact CE2-CZ3 3.82Å; W650-W655 HydrophobicContact CG-CB 4.41Å; W650-W655 HydrophobicContact CG-CE3 4.17Å; W650-W655 AromaticContact CZ2-CE3 3.97Å; W650-W655 HydrophobicContact CZ2-CE3 3.97Å; W650-W655 AromaticContact CZ2-CZ3 3.89Å; W650-W655 HydrophobicContact CZ2-CZ3 3.89Å; W650-W655 AromaticContact NE1-CE3 3.57Å; W650-W655 AromaticContact NE1-CZ3 3.77Å; W650-F658 HydrophobicContact CE3-CB 4.47Å; W650-F658 HydrophobicContact CH2-CB 4.17Å; W650-F658 AromaticContact CH2-CD1 3.64Å; W650-F658 HydrophobicContact CH2-CD1 3.64Å; W650-F658 AromaticContact CH2-CD2 3.85Å; W650-F658 HydrophobicContact CH2-CD2 3.85Å; W650-F658 AromaticContact CH2-CE1 4Å; W650-F658 HydrophobicContact CH2-CE1 4Å; W650-F658 HydrophobicContact CH2-CE2 4.2Å; W650-F658 AromaticContact CH2-CG 3.56Å; W650-F658 HydrophobicContact CH2-CG 3.56Å; W650-F658 HydrophobicContact CH2-CZ 4.27Å; W650-F658 HydrophobicContact CZ2-CD1 4.16Å; W650-F658 HydrophobicContact CZ2-CE1 4.41Å; W650-F658 HydrophobicContact CZ2-CG 4.48Å; W650-F658 HydrophobicContact CZ3-CB 3.81Å; W650-F658 HydrophobicContact CZ3-CD1 4.17Å; W650-F658 HydrophobicContact CZ3-CD2 4.01Å; W650-F658 AromaticContact CZ3-CG 3.7Å; W650-F658 HydrophobicContact CZ3-CG 3.7Å
651S81.9Confident87.2Confident72 Ų7268.3 Ų68.350%0.50336%0.356SS..  trans-106.1115.7179.866.30000111K654S651-K654 WeakPolarHBondContact O-CG 3.38Å; S651-K654 WeakPolarHBondContact OG-CD 3.4Å; S651-K654 WeakPolarHBondContact OG-CE 3.15Å; S651-K654 PolarHBondContact OG-NZ 3.32Å
652G84.7Confident87.3Confident63 Ų6368.4 Ų68.465%0.64936%0.357SS*.SBendtrans59.9-149.3-172.200000111.4K654G652-K654 PolarHBondContact O-N 2.9Å
653N84.6Confident87.2Confident120 Ų12064.3 Ų64.364%0.64235%0.347SS*.THydrogen-bonded Turntrans-71.332.6-172.2-48.546.5000115.1E656 R657N653-E656 WeakPolarHBondContact CA-OE2 3.39Å; N653-R657 WeakPolarHBondContact O-CD 3.49Å; N653-R657 VanDerWaalsContact O-CG 3.3Å; N653-R657 WeakPolarHBondContact O-CG 3.35Å
654K88.1Confident87.1Confident107 Ų10762.6 Ų62.647%0.46534%0.339SS..Hα-helixtrans-74.3-33.5173.7-79.6-178.1-178.8162.30112W650 S651 G652 F658W650-K654 HydrophobicContact CE3-CB 4.18Å; S651-K654 WeakPolarHBondContact O-CG 3.38Å; S651-K654 WeakPolarHBondContact OG-CD 3.4Å; S651-K654 WeakPolarHBondContact OG-CE 3.15Å; S651-K654 PolarHBondContact OG-NZ 3.32Å; G652-K654 PolarHBondContact O-N 2.9Å; K654-F658 WeakPolarHBondContact O-CB 3.44Å; K654-F658 PolarHBondContact O-N 2.8Å
655W90.2Very high86.4Confident7 Ų766.7 Ų66.73%0.02736%0.361CS..Hα-helixtrans-67-48.6-179.7176.7-102.6000111.7L641 V644 K645 W650 R657 F658 C659 T666L641-W655 HydrophobicContact CB-CH2 4.38Å; L641-W655 HydrophobicContact CB-CZ2 4.4Å; L641-W655 HydrophobicContact CD2-CH2 4.18Å; L641-W655 WeakPolarHBondContact O-CH2 3.48Å; V644-W655 HydrophobicContact CB-CH2 4.17Å; V644-W655 HydrophobicContact CB-CZ3 4.22Å; V644-W655 HydrophobicContact CG1-CH2 4.37Å; V644-W655 HydrophobicContact CG1-CZ3 3.99Å; K645-W655 HydrophobicContact CB-CD2 4.03Å; K645-W655 HydrophobicContact CB-CE3 4.26Å; K645-W655 HydrophobicContact CB-CH2 3.96Å; K645-W655 HydrophobicContact CB-CZ2 3.71Å; K645-W655 HydrophobicContact CB-CZ3 4.23Å; K645-W655 HydrophobicContact CD-CD2 4.36Å; K645-W655 HydrophobicContact CD-CG 4.43Å; K645-W655 HydrophobicContact CD-CZ2 4.19Å; K645-W655 VanDerWaalsContact CE-CD1 3.47Å; K645-W655 HydrophobicContact CG-CD2 3.78Å; K645-W655 HydrophobicContact CG-CE3 4.43Å; K645-W655 HydrophobicContact CG-CG 3.98Å; K645-W655 HydrophobicContact CG-CZ2 4.08Å; W650-W655 HydrophobicContact CB-CB 4.36Å; W650-W655 AromaticContact CD1-CE3 3.95Å; W650-W655 AromaticContact CD2-CE3 3.93Å; W650-W655 HydrophobicContact CD2-CE3 3.93Å; W650-W655 AromaticContact CE2-CE3 3.57Å; W650-W655 AromaticContact CE2-CZ3 3.82Å; W650-W655 HydrophobicContact CG-CB 4.41Å; W650-W655 HydrophobicContact CG-CE3 4.17Å; W650-W655 AromaticContact CZ2-CE3 3.97Å; W650-W655 HydrophobicContact CZ2-CE3 3.97Å; W650-W655 AromaticContact CZ2-CZ3 3.89Å; W650-W655 HydrophobicContact CZ2-CZ3 3.89Å; W650-W655 AromaticContact NE1-CE3 3.57Å; W650-W655 AromaticContact NE1-CZ3 3.77Å; W655-R657 VanDerWaalsContact C-N 3.33Å; W655-R657 PolarHBondContact O-N 3.08Å; W655-F658 HydrophobicContact CE3-CD1 4.36Å; W655-F658 HydrophobicContact CZ3-CD1 4.17Å; W655-F658 WeakPolarHBondContact O-CA 3.46Å; W655-F658 WeakPolarHBondContact O-CB 3.22Å; W655-F658 PolarHBondContact O-N 3.03Å; W655-C659 WeakPolarHBondContact CZ2-SG 3.45Å; W655-C659 PolarHBondContact O-N 3.23Å; W655-T666 PolarHBondContact NE1-OXT 3.48Å
656E87.7Confident85.1Confident75 Ų7568.4 Ų68.435%0.3538%0.378SS..Hα-helixtrans-63.3-42.3-179.1-60.169-150.500110.5N653 F658 C659 Q660N653-E656 WeakPolarHBondContact CA-OE2 3.39Å; E656-F658 VanDerWaalsContact C-N 3.32Å; E656-F658 PolarHBondContact O-N 2.95Å; E656-C659 PolarHBondContact O-N 3.1Å; E656-Q660 VanDerWaalsContact O-CB 3.3Å; E656-Q660 WeakPolarHBondContact O-CB 3.47Å; E656-Q660 WeakPolarHBondContact O-CG 3.46Å; E656-Q660 PolarHBondContact O-N 3.04Å
657R87.1Confident85Confident170 Ų17067.7 Ų67.764%0.64237%0.368SS*.Hα-helixtrans-61.2-40.6172.3-72.9177.4-179.8178.42.2111.8N653 W655 Q660 I661N653-R657 WeakPolarHBondContact O-CD 3.49Å; N653-R657 VanDerWaalsContact O-CG 3.3Å; N653-R657 WeakPolarHBondContact O-CG 3.35Å; W655-R657 VanDerWaalsContact C-N 3.33Å; W655-R657 PolarHBondContact O-N 3.08Å; R657-Q660 PolarHBondContact O-N 2.92Å; R657-I661 WeakPolarHBondContact O-CB 3.37Å; R657-I661 WeakPolarHBondContact O-CD1 3.32Å; R657-I661 WeakPolarHBondContact O-CG1 3.46Å; R657-I661 PolarHBondContact O-N 3.39Å
658F90.3Very high84.9Confident6 Ų670.7 Ų70.73%0.02639%0.385CS..Hα-helixtrans-64.6-47.1178.7-179.1-103.4000111.8F602 I617 P618 I620 W650 K654 W655 E656 I661 N662 L664F602-F658 HydrophobicContact CE1-CE1 4.29Å; F602-F658 HydrophobicContact CE2-CE1 4.16Å; F602-F658 AromaticContact CE2-CZ 3.75Å; F602-F658 HydrophobicContact CE2-CZ 3.75Å; F602-F658 AromaticContact CZ-CE1 3.53Å; F602-F658 HydrophobicContact CZ-CE1 3.53Å; F602-F658 AromaticContact CZ-CZ 3.49Å; F602-F658 HydrophobicContact CZ-CZ 3.49Å; F602-F658 VanDerWaalsContact CZ-CZ 3.49Å; I617-F658 HydrophobicContact CG2-CE2 3.88Å; I617-F658 HydrophobicContact CG2-CZ 3.92Å; P618-F658 WeakPolarHBondContact O-CE2 3.49Å; I620-F658 HydrophobicContact CD1-CE2 3.87Å; I620-F658 HydrophobicContact CD1-CZ 3.87Å; I620-F658 HydrophobicContact CG1-CD2 4.35Å; I620-F658 HydrophobicContact CG1-CE2 3.49Å; I620-F658 VanDerWaalsContact CG1-CE2 3.49Å; I620-F658 HydrophobicContact CG1-CZ 4.05Å; W650-F658 HydrophobicContact CE3-CB 4.47Å; W650-F658 HydrophobicContact CH2-CB 4.17Å; W650-F658 AromaticContact CH2-CD1 3.64Å; W650-F658 HydrophobicContact CH2-CD1 3.64Å; W650-F658 AromaticContact CH2-CD2 3.85Å; W650-F658 HydrophobicContact CH2-CD2 3.85Å; W650-F658 AromaticContact CH2-CE1 4Å; W650-F658 HydrophobicContact CH2-CE1 4Å; W650-F658 HydrophobicContact CH2-CE2 4.2Å; W650-F658 AromaticContact CH2-CG 3.56Å; W650-F658 HydrophobicContact CH2-CG 3.56Å; W650-F658 HydrophobicContact CH2-CZ 4.27Å; W650-F658 HydrophobicContact CZ2-CD1 4.16Å; W650-F658 HydrophobicContact CZ2-CE1 4.41Å; W650-F658 HydrophobicContact CZ2-CG 4.48Å; W650-F658 HydrophobicContact CZ3-CB 3.81Å; W650-F658 HydrophobicContact CZ3-CD1 4.17Å; W650-F658 HydrophobicContact CZ3-CD2 4.01Å; W650-F658 AromaticContact CZ3-CG 3.7Å; W650-F658 HydrophobicContact CZ3-CG 3.7Å; K654-F658 WeakPolarHBondContact O-CB 3.44Å; K654-F658 PolarHBondContact O-N 2.8Å; W655-F658 HydrophobicContact CE3-CD1 4.36Å; W655-F658 HydrophobicContact CZ3-CD1 4.17Å; W655-F658 WeakPolarHBondContact O-CA 3.46Å; W655-F658 WeakPolarHBondContact O-CB 3.22Å; W655-F658 PolarHBondContact O-N 3.03Å; E656-F658 VanDerWaalsContact C-N 3.32Å; E656-F658 PolarHBondContact O-N 2.95Å; F658-I661 PolarHBondContact O-N 3.38Å; F658-N662 WeakPolarHBondContact CD2-ND2 3.46Å; F658-N662 WeakPolarHBondContact CE2-ND2 3.46Å; F658-N662 PolarHBondContact O-N 2.85Å; F658-N662 VanDerWaalsContact O-N 3.14Å; F658-N662 PolarHBondContact O-ND2 3.34Å; F658-L664 HydrophobicContact CE1-CD1 4.02Å
659C88.9Confident84.8Confident0 Ų068.3 Ų68.30%037%0.365CS..Hα-helixtrans-63.3-42.9174.9-71.80000112.6W655 E656 I661 N662 C663 L664 T666W655-C659 WeakPolarHBondContact CZ2-SG 3.45Å; W655-C659 PolarHBondContact O-N 3.23Å; E656-C659 PolarHBondContact O-N 3.1Å; C659-I661 PolarHBondContact O-N 3.29Å; C659-N662 PolarHBondContact O-N 2.98Å; C659-C663 PolarHBondContact O-N 3.27Å; C659-L664 HydrophobicContact CB-CB 4.09Å; C659-L664 PolarHBondContact O-N 3.4Å; C659-T666 HydrophobicContact CB-CG2 3.8Å
660Q86Confident84.6Confident140 Ų14071 Ų7165%0.65438%0.38SS*.Hα-helixtrans-59.9-41.6176.9-77.4170.50.900112.7E656 R657E656-Q660 VanDerWaalsContact O-CB 3.3Å; E656-Q660 WeakPolarHBondContact O-CB 3.47Å; E656-Q660 WeakPolarHBondContact O-CG 3.46Å; E656-Q660 PolarHBondContact O-N 3.04Å; R657-Q660 PolarHBondContact O-N 2.92Å
661I87.4Confident84.5Confident102 Ų10273.1 Ų73.152%0.52339%0.394SS..Hα-helixtrans-72.6-32.3-179.6-64.9164.1000111.4P618 R657 F658 C659P618-I661 HydrophobicContact CB-CG2 3.43Å; P618-I661 VanDerWaalsContact CB-CG2 3.43Å; P618-I661 HydrophobicContact CG-CG2 4.5Å; R657-I661 WeakPolarHBondContact O-CB 3.37Å; R657-I661 WeakPolarHBondContact O-CD1 3.32Å; R657-I661 WeakPolarHBondContact O-CG1 3.46Å; R657-I661 PolarHBondContact O-N 3.39Å; F658-I661 PolarHBondContact O-N 3.38Å; C659-I661 PolarHBondContact O-N 3.29Å
662N88Confident84.6Confident25 Ų2573.1 Ų73.113%0.13439%0.387CS..Hα-helixtrans-1016-175.2-65.7-84.6000114.3N598 I617 P618 F658 C659 L664N598-N662 PolarHBondContact ND2-O 2.73Å; I617-N662 WeakPolarHBondContact CG2-OD1 3.44Å; P618-N662 WeakPolarHBondContact CD-OD1 3.46Å; P618-N662 PolarHBondContact O-ND2 2.97Å; F658-N662 WeakPolarHBondContact CD2-ND2 3.46Å; F658-N662 WeakPolarHBondContact CE2-ND2 3.46Å; F658-N662 PolarHBondContact O-N 2.85Å; F658-N662 VanDerWaalsContact O-N 3.14Å; F658-N662 PolarHBondContact O-ND2 3.34Å; C659-N662 PolarHBondContact O-N 2.98Å; N662-L664 HydrophobicContact CB-CD1 4Å; N662-L664 HydrophobicContact CB-CG 4.03Å
663C85.2Confident84.6Confident68 Ų6873.9 Ų73.946%0.45937%0.368SS..THydrogen-bonded Turntrans54.948.3-178-60.80000113.6W594 N598 C659W594-C663 HydrophobicContact CH2-CB 3.87Å; W594-C663 HydrophobicContact CZ3-CB 4.05Å; N598-C663 PolarHBondContact ND2-O 3.49Å; C659-C663 PolarHBondContact O-N 3.27Å
664L84.4Confident84.7Confident11 Ų1170.3 Ų70.36%0.05835%0.347CS..  trans-106.1144.2177.7-55.1171.5000110.3F602 L641 F658 C659 N662F602-L664 HydrophobicContact CB-CD2 3.93Å; F602-L664 HydrophobicContact CD1-CD1 3.81Å; F602-L664 HydrophobicContact CD1-CD2 3.98Å; F602-L664 HydrophobicContact CD2-CD1 4.27Å; F602-L664 HydrophobicContact CD2-CD2 4.45Å; F602-L664 HydrophobicContact CE1-CD1 3.72Å; F602-L664 HydrophobicContact CE2-CD1 4.2Å; F602-L664 HydrophobicContact CG-CD1 4.1Å; F602-L664 HydrophobicContact CG-CD2 3.84Å; F602-L664 HydrophobicContact CZ-CD1 3.96Å; L641-L664 HydrophobicContact CD1-CB 4.14Å; L641-L664 HydrophobicContact CD1-CD2 4.43Å; L641-L664 HydrophobicContact CD2-CD1 4.02Å; F658-L664 HydrophobicContact CE1-CD1 4.02Å; C659-L664 HydrophobicContact CB-CB 4.09Å; C659-L664 PolarHBondContact O-N 3.4Å; N662-L664 HydrophobicContact CB-CD1 4Å; N662-L664 HydrophobicContact CB-CG 4.03Å
665D74.9Confident84.4Confident88 Ų8867.3 Ų67.347%0.47134%0.337SS..  trans-64.8144.7168.7-71.6-57.3000110.4M595M595-D665 VanDerWaalsContact CE-OD1 3.22Å; M595-D665 WeakPolarHBondContact CE-OD1 3.37Å
666T62.2Low83.8Confident115 Ų11572.7 Ų72.771%0.70637%0.366SS*.  trans-99.30-161.552.50000116.1K645 W655 C659K645-T666 PolarHBondContact NZ-OXT 3.28Å; W655-T666 PolarHBondContact NE1-OXT 3.48Å; C659-T666 HydrophobicContact CB-CG2 3.8Å

Retrieved 666 of 666 residues in 100.6 ms (Link to these results)

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