A0A3Q0KII8_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KII8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 513 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
1M55.3Low79.4Confident209 Ų20970.6 Ų70.6100%1.0334%0.338SS*.  0122.90-73177.1166.700106.6V3M1-V3 VanDerWaalsContact C-N 3.3Å
2P70.6Confident79.1Confident41 Ų4181.9 Ų81.927%0.26639%0.385SS..  trans-82.8-5.7-174.234.7-38000113.6Y4 T22 D23P2-Y4 VanDerWaalsContact O-CD2 3.3Å; P2-Y4 WeakPolarHBondContact O-CD2 3.29Å; P2-Y4 WeakPolarHBondContact O-CE2 3.38Å; P2-T22 WeakPolarHBondContact CB-OG1 3.34Å; P2-T22 PolarHBondContact O-N 2.92Å; P2-T22 PolarHBondContact O-OG1 3.26Å; P2-T22 VanDerWaalsContact O-OG1 3.09Å; P2-D23 HydrophobicContact CB-CB 4.23Å; P2-D23 VanDerWaalsContact CB-OD1 3.25Å; P2-D23 WeakPolarHBondContact CB-OD1 3.3Å; P2-D23 HydrophobicContact CG-CB 4.35Å; P2-D23 VanDerWaalsContact CG-OD2 3.23Å; P2-D23 WeakPolarHBondContact CG-OD2 3.46Å
3V80.6Confident78.9Confident64 Ų6481.6 Ų81.639%0.38839%0.387SS..EExtended strand (participates in β ladder)trans-94.5122.8178-173.50000109.5M1 E19 C20 N21M1-V3 VanDerWaalsContact C-N 3.3Å; V3-E19 HydrophobicContact CG1-CB 4.4Å; V3-C20 WeakPolarHBondContact CA-O 3.36Å; V3-N21 HydrophobicContact CG2-CB 4.12Å
4Y82Confident79Confident64 Ų6484.4 Ų84.425%0.25140%0.397SS..EExtended strand (participates in β ladder)trans-119.9140.6179.7-57.2-86.7000110.8P2 C20 T22 L63 D65P2-Y4 VanDerWaalsContact O-CD2 3.3Å; P2-Y4 WeakPolarHBondContact O-CD2 3.29Å; P2-Y4 WeakPolarHBondContact O-CE2 3.38Å; Y4-C20 PolarHBondContact N-O 3.08Å; Y4-C20 PolarHBondContact O-N 2.98Å; Y4-T22 HydrophobicContact CD2-CG2 3.91Å; Y4-T22 HydrophobicContact CE2-CG2 3.74Å; Y4-L63 HydrophobicContact CD1-CB 4.05Å; Y4-L63 HydrophobicContact CD2-CB 3.69Å; Y4-L63 HydrophobicContact CD2-CD1 4.01Å; Y4-L63 HydrophobicContact CE1-CB 4.37Å; Y4-L63 WeakPolarHBondContact CE1-O 3.43Å; Y4-L63 HydrophobicContact CE2-CB 4.05Å; Y4-L63 HydrophobicContact CG-CB 3.68Å; Y4-D65 VanDerWaalsContact CA-OD1 3.3Å; Y4-D65 WeakPolarHBondContact CA-OD1 3.47Å
5K84.1Confident79.2Confident104 Ų10482.7 Ų82.745%0.45239%0.386SS..EExtended strand (participates in β ladder)trans-92.2111.3173.5-70.5-176.6179.5-1780109.9E19 D65 G66K5-E19 HydrophobicContact CG-CG 4.49Å; K5-D65 PolarHBondContact N-OD1 2.89Å; K5-D65 CarbonylContact O-C 3.52Å; K5-D65 WeakPolarHBondContact O-CA 3.5Å; K5-G66 PolarHBondContact O-N 2.94Å
6V85.9Confident79.5Confident0 Ų081.9 Ų81.90%039%0.392CS..EExtended strand (participates in β ladder)trans-114.9152.6-174-63.10000111.5N17 V18 C20 F29 L63 I69V6-N17 PolarHBondContact O-N 3.38Å; V6-V18 HydrophobicContact CG2-CB 4.27Å; V6-V18 VanDerWaalsContact CG2-O 3.26Å; V6-V18 WeakPolarHBondContact CG2-O 3.39Å; V6-V18 PolarHBondContact N-O 3.29Å; V6-V18 PolarHBondContact O-N 2.95Å; V6-C20 HydrophobicContact CG1-CB 4.45Å; V6-C20 HydrophobicContact CG2-CB 3.93Å; V6-F29 HydrophobicContact CG2-CE2 4.26Å; V6-F29 HydrophobicContact CG2-CZ 3.91Å; V6-L63 HydrophobicContact CG1-CD2 4.03Å; V6-I69 HydrophobicContact CB-CD1 3.57Å; V6-I69 HydrophobicContact CB-CG1 4.21Å; V6-I69 HydrophobicContact CG1-CD1 3.87Å; V6-I69 HydrophobicContact CG2-CD1 3.5Å
7N85.8Confident79.5Confident21 Ų2183.4 Ų83.411%0.11240%0.403CS..EExtended strand (participates in β ladder)trans-103.2115.5178.4-66.4-43.2000109Y15 S16 N17 G66 I67 N68 I69N7-Y15 CarbonylContact C-O 3.44Å; N7-Y15 WeakPolarHBondContact CA-O 3.17Å; N7-S16 WeakPolarHBondContact OD1-CA 3.28Å; N7-S16 WeakPolarHBondContact OD1-CB 3.26Å; N7-N17 PolarHBondContact OD1-N 2.89Å; N7-G66 PolarHBondContact ND2-O 3.06Å; N7-I67 PolarHBondContact N-O 3.33Å; N7-N68 VanDerWaalsContact CB-OD1 3.26Å; N7-N68 WeakPolarHBondContact CB-OD1 3.44Å; N7-N68 CarbonylContact O-C 3.57Å; N7-N68 VanDerWaalsContact O-CA 3.27Å; N7-N68 WeakPolarHBondContact O-CA 3.41Å; N7-I69 PolarHBondContact O-N 3.1Å
8V86.9Confident79.6Confident0 Ų079.4 Ų79.40%039%0.385CS..EExtended strand (participates in β ladder)trans-97.8121.1-177.5-176.40000109.6K14 Y15 V18 L33 I69 L71V8-K14 CarbonylContact O-C 3.52Å; V8-K14 WeakPolarHBondContact O-CA 3.27Å; V8-Y15 PolarHBondContact N-O 3.34Å; V8-Y15 PolarHBondContact O-N 2.88Å; V8-V18 HydrophobicContact CB-CG2 4.35Å; V8-V18 HydrophobicContact CG2-CB 4.04Å; V8-V18 HydrophobicContact CG2-CG1 4.37Å; V8-V18 HydrophobicContact CG2-CG2 3.8Å; V8-L33 HydrophobicContact CB-CD2 4.31Å; V8-L33 HydrophobicContact CG1-CD2 3.92Å; V8-L33 HydrophobicContact CG2-CD2 3.77Å; V8-I69 CarbonylContact C-O 3.59Å; V8-I69 WeakPolarHBondContact CA-O 3.34Å; V8-L71 HydrophobicContact CG1-CB 3.95Å
9K82.2Confident79.7Confident110 Ų11078.7 Ų78.748%0.47838%0.38SS..EExtended strand (participates in β ladder)trans-104121.8174.4-169.8-179.4179.6-176.10109.3I69 M70 L71K9-I69 PolarHBondContact N-O 3.08Å; K9-M70 WeakPolarHBondContact O-CA 3.31Å; K9-L71 PolarHBondContact O-N 3.49Å
10W82Confident79.8Confident26 Ų2674.8 Ų74.810%0.09836%0.361CS..EExtended strand (participates in β ladder)trans-132.4117.7176173.655.4000109.4K12 N13 Y15 T37 I39 L71 G73 V75W10-K12 PolarHBondContact O-N 3.39Å; W10-K12 VanDerWaalsContact O-N 3.16Å; W10-N13 PolarHBondContact N-O 2.81Å; W10-N13 WeakPolarHBondContact O-CA 3.49Å; W10-N13 WeakPolarHBondContact O-CB 3.3Å; W10-N13 PolarHBondContact O-N 2.76Å; W10-N13 VanDerWaalsContact O-O 3.07Å; W10-Y15 HydrophobicContact CE3-CE2 4.34Å; W10-T37 HydrophobicContact CB-CG2 4.42Å; W10-T37 HydrophobicContact CD2-CG2 4.09Å; W10-T37 HydrophobicContact CE3-CG2 3.71Å; W10-T37 HydrophobicContact CG-CG2 4.4Å; W10-T37 WeakPolarHBondContact CH2-O 3.43Å; W10-T37 HydrophobicContact CZ3-CG2 4.31Å; W10-I39 HydrophobicContact CD2-CD1 4.16Å; W10-I39 VanDerWaalsContact CE2-CD1 3.47Å; W10-I39 HydrophobicContact CG-CD1 4.39Å; W10-I39 HydrophobicContact CZ2-CD1 3.77Å; W10-I39 HydrophobicContact CZ2-CG1 4.1Å; W10-I39 VanDerWaalsContact NE1-CD1 3.28Å; W10-L71 HydrophobicContact CB-CB 4.21Å; W10-L71 HydrophobicContact CB-CD2 4.33Å; W10-L71 HydrophobicContact CG-CD2 4.28Å; W10-G73 PolarHBondContact NE1-O 2.78Å; W10-V75 HydrophobicContact CH2-CG2 3.82Å; W10-V75 HydrophobicContact CZ2-CG2 3.76Å
11Q77.8Confident79.8Confident138 Ų13872.7 Ų72.765%0.64535%0.352SS*.THydrogen-bonded Turntrans48.5-118.2-171.3-58.7-176.1200112
12K76.1Confident80.9Confident206 Ų20664.7 Ų64.790%0.89632%0.315SS*.THydrogen-bonded Turntrans-88.5-11.5176.7-64.6-177.9-178.9176.60113W10W10-K12 PolarHBondContact O-N 3.39Å; W10-K12 VanDerWaalsContact O-N 3.16Å
13N76.2Confident81.3Confident78 Ų7868.8 Ų68.842%0.41734%0.335SS..EExtended strand (participates in β ladder)trans-90.7141.5-175.7-62.9-26.4000111.1W10 Y15W10-N13 PolarHBondContact N-O 2.81Å; W10-N13 WeakPolarHBondContact O-CA 3.49Å; W10-N13 WeakPolarHBondContact O-CB 3.3Å; W10-N13 PolarHBondContact O-N 2.76Å; W10-N13 VanDerWaalsContact O-O 3.07Å; N13-Y15 HydrophobicContact CB-CE2 3.88Å
14K80.9Confident81.2Confident121 Ų12170.3 Ų70.353%0.52634%0.338SS..EExtended strand (participates in β ladder)trans-129.4116.7176-172.3-177.8179.2-175.60109.6V8V8-K14 CarbonylContact O-C 3.52Å; V8-K14 WeakPolarHBondContact O-CA 3.27Å
15Y81.1Confident81.1Confident59 Ų5970 Ų7023%0.23134%0.344CS..EExtended strand (participates in β ladder)trans-99.2116.6176.2-55-91.1000107.8N7 V8 W10 N13 L36 T37N7-Y15 CarbonylContact C-O 3.44Å; N7-Y15 WeakPolarHBondContact CA-O 3.17Å; V8-Y15 PolarHBondContact N-O 3.34Å; V8-Y15 PolarHBondContact O-N 2.88Å; W10-Y15 HydrophobicContact CE3-CE2 4.34Å; N13-Y15 HydrophobicContact CB-CE2 3.88Å; Y15-L36 HydrophobicContact CD1-CB 4.22Å; Y15-L36 HydrophobicContact CD1-CD2 4.25Å; Y15-L36 HydrophobicContact CE1-CB 4.14Å; Y15-L36 PolarHBondContact OH-O 3.06Å; Y15-T37 HydrophobicContact CD2-CG2 4.47Å; Y15-T37 HydrophobicContact CE2-CG2 3.79Å
16S83.9Confident80.8Confident69 Ų6965.1 Ų65.148%0.48332%0.323SS..EExtended strand (participates in β ladder)trans-99.9149.7-175.6-51.50000110.8N7 V18N7-S16 WeakPolarHBondContact OD1-CA 3.28Å; N7-S16 WeakPolarHBondContact OD1-CB 3.26Å; S16-V18 PolarHBondContact O-N 3.02Å
17N80.3Confident80.5Confident108 Ų10871 Ų7158%0.57835%0.351SS*.EExtended strand (participates in β ladder)trans59.535.7178.3-55.2-42.4000115.3V6 N7 E19V6-N17 PolarHBondContact O-N 3.38Å; N7-N17 PolarHBondContact OD1-N 2.89Å; N17-E19 PolarHBondContact O-N 2.83Å
18V81Confident80.1Confident12 Ų1274.7 Ų74.77%0.07337%0.37CS..EExtended strand (participates in β ladder)trans-69.5128.4171.8-173.30000108.5V6 V8 S16 F29 L32 L36V6-V18 HydrophobicContact CG2-CB 4.27Å; V6-V18 VanDerWaalsContact CG2-O 3.26Å; V6-V18 WeakPolarHBondContact CG2-O 3.39Å; V6-V18 PolarHBondContact N-O 3.29Å; V6-V18 PolarHBondContact O-N 2.95Å; V8-V18 HydrophobicContact CB-CG2 4.35Å; V8-V18 HydrophobicContact CG2-CB 4.04Å; V8-V18 HydrophobicContact CG2-CG1 4.37Å; V8-V18 HydrophobicContact CG2-CG2 3.8Å; S16-V18 PolarHBondContact O-N 3.02Å; V18-F29 HydrophobicContact CG1-CE2 3.86Å; V18-F29 HydrophobicContact CG1-CZ 4.41Å; V18-L32 HydrophobicContact CG1-CD2 3.67Å; V18-L32 HydrophobicContact CG1-CG 4.41Å; V18-L36 HydrophobicContact CG1-CD1 4.18Å; V18-L36 HydrophobicContact CG2-CD1 3.99Å
19E82.1Confident79.8Confident65 Ų6575 Ų7530%0.30437%0.371SS..EExtended strand (participates in β ladder)trans-81125.8-179.6-65.5-174.6164.500110.8V3 K5 N17 K194V3-E19 HydrophobicContact CG1-CB 4.4Å; K5-E19 HydrophobicContact CG-CG 4.49Å; N17-E19 PolarHBondContact O-N 2.83Å; E19-K194 WeakPolarHBondContact OE2-CE 3.46Å; E19-K194 IonicContact OE2-NZ 2.73Å; E19-K194 PolarHBondContact OE2-NZ 3.39Å
20C80.6Confident79.7Confident0 Ų070.3 Ų70.30%035%0.351CS..EExtended strand (participates in β ladder)trans-120.4111.4176.3-177.50000108.5V3 Y4 V6 F29 L63V3-C20 WeakPolarHBondContact CA-O 3.36Å; Y4-C20 PolarHBondContact N-O 3.08Å; Y4-C20 PolarHBondContact O-N 2.98Å; V6-C20 HydrophobicContact CG1-CB 4.45Å; V6-C20 HydrophobicContact CG2-CB 3.93Å; C20-F29 HydrophobicContact CB-CD2 3.88Å; C20-F29 HydrophobicContact CB-CE2 3.52Å; C20-F29 HydrophobicContact CB-CZ 3.97Å; C20-L63 HydrophobicContact CB-CD1 4.48Å
21N79.9Confident79.5Confident32 Ų3271.4 Ų71.417%0.17137%0.365CS..EExtended strand (participates in β ladder)trans-95.2117.2175.7-170.9-2.8000109.8V3 D23 E24 Y58V3-N21 HydrophobicContact CG2-CB 4.12Å; N21-D23 VanDerWaalsContact C-N 3.29Å; N21-D23 PolarHBondContact O-N 3.21Å; N21-D23 PolarHBondContact OD1-N 2.98Å; N21-D23 VanDerWaalsContact OD1-N 3.08Å; N21-E24 HydrophobicContact CB-CB 4.24Å; N21-E24 HydrophobicContact CB-CG 4.2Å; N21-E24 PolarHBondContact ND2-OE1 3.09Å; N21-E24 PolarHBondContact O-N 3.48Å; N21-Y58 PolarHBondContact O-OH 3.24Å; N21-Y58 VanDerWaalsContact O-OH 3.09Å
22T78.9Confident79.4Confident41 Ų4168.1 Ų68.125%0.25235%0.352SS..THydrogen-bonded Turntrans-78.4-10.9179.758.20000114.2P2 Y4 Y58 L63P2-T22 WeakPolarHBondContact CB-OG1 3.34Å; P2-T22 PolarHBondContact O-N 2.92Å; P2-T22 PolarHBondContact O-OG1 3.26Å; P2-T22 VanDerWaalsContact O-OG1 3.09Å; Y4-T22 HydrophobicContact CD2-CG2 3.91Å; Y4-T22 HydrophobicContact CE2-CG2 3.74Å; T22-Y58 HydrophobicContact CG2-CD1 4.38Å; T22-Y58 HydrophobicContact CG2-CG 4.45Å; T22-L63 HydrophobicContact CG2-CD1 3.7Å
23D78.4Confident79.6Confident127 Ų12758.3 Ų58.368%0.67931%0.309SS*.THydrogen-bonded Turntrans-86.7-11.7175.3-72.63.1000112.3P2 N21P2-D23 HydrophobicContact CB-CB 4.23Å; P2-D23 VanDerWaalsContact CB-OD1 3.25Å; P2-D23 WeakPolarHBondContact CB-OD1 3.3Å; P2-D23 HydrophobicContact CG-CB 4.35Å; P2-D23 VanDerWaalsContact CG-OD2 3.23Å; P2-D23 WeakPolarHBondContact CG-OD2 3.46Å; N21-D23 VanDerWaalsContact C-N 3.29Å; N21-D23 PolarHBondContact O-N 3.21Å; N21-D23 PolarHBondContact OD1-N 2.98Å; N21-D23 VanDerWaalsContact OD1-N 3.08Å
24E79.2Confident79.7Confident96 Ų9657.7 Ų57.745%0.44930%0.303SS..SBendtrans-95.5165.1178.1-77.4171.8-148.400111.8N21 L28 Y58N21-E24 HydrophobicContact CB-CB 4.24Å; N21-E24 HydrophobicContact CB-CG 4.2Å; N21-E24 PolarHBondContact ND2-OE1 3.09Å; N21-E24 PolarHBondContact O-N 3.48Å; E24-L28 HydrophobicContact CB-CD1 4.02Å; E24-L28 HydrophobicContact CG-CD1 4.27Å; E24-Y58 WeakPolarHBondContact O-CE2 3.16Å
25C79.4Confident79.3Confident56 Ų5655.5 Ų55.538%0.37830%0.303SS..  trans-63.6134.8175.4-1730000110.8E27 L28C25-E27 PolarHBondContact O-N 3.37Å; C25-L28 WeakPolarHBondContact O-CB 3.49Å; C25-L28 PolarHBondContact O-N 2.79Å
26P79Confident79Confident2 Ų255.8 Ų55.81%0.01331%0.308CS..Hα-helixtrans-52.6-28175.2-2936.2000114.6L28 F29 K30 L53 G54 E56 Y58P26-L28 VanDerWaalsContact C-N 3.3Å; P26-L28 PolarHBondContact O-N 2.8Å; P26-F29 WeakPolarHBondContact O-CB 3.45Å; P26-F29 PolarHBondContact O-N 2.76Å; P26-F29 VanDerWaalsContact O-N 3.15Å; P26-K30 PolarHBondContact O-N 2.76Å; P26-L53 HydrophobicContact CB-CD1 3.97Å; P26-L53 HydrophobicContact CB-CD2 4.2Å; P26-L53 HydrophobicContact CB-CG 4.05Å; P26-L53 HydrophobicContact CG-CD1 4.29Å; P26-G54 WeakPolarHBondContact CB-O 3.45Å; P26-E56 WeakPolarHBondContact CD-O 3.23Å; P26-Y58 HydrophobicContact CB-CE2 4.48Å; P26-Y58 HydrophobicContact CG-CD2 3.96Å; P26-Y58 HydrophobicContact CG-CE2 3.92Å
27E79.6Confident78.6Confident124 Ų12453 Ų5358%0.57929%0.288SS*.Hα-helixtrans-62.3-34.2178-164.1175-170.200112.8C25 F29 K30 A31C25-E27 PolarHBondContact O-N 3.37Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 PolarHBondContact O-N 2.81Å; E27-K30 PolarHBondContact O-N 2.88Å; E27-A31 WeakPolarHBondContact O-CB 3.25Å; E27-A31 PolarHBondContact O-N 2.61Å
28L76.3Confident78.3Confident98 Ų9849.4 Ų49.451%0.51328%0.276SS..Hα-helixtrans-64.9-39.8174.1-73.2165.6000111.2E24 C25 P26 A31 L32E24-L28 HydrophobicContact CB-CD1 4.02Å; E24-L28 HydrophobicContact CG-CD1 4.27Å; C25-L28 WeakPolarHBondContact O-CB 3.49Å; C25-L28 PolarHBondContact O-N 2.79Å; P26-L28 VanDerWaalsContact C-N 3.3Å; P26-L28 PolarHBondContact O-N 2.8Å; L28-A31 PolarHBondContact O-N 2.81Å; L28-L32 PolarHBondContact O-N 2.94Å
29F80.3Confident78.1Confident7 Ų748.8 Ų48.83%0.03127%0.273CS..Hα-helixtrans-66-40.8174.4-172.5-114.3000111.1V6 V18 C20 P26 E27 A31 L32 L33 V46 L53 I69V6-F29 HydrophobicContact CG2-CE2 4.26Å; V6-F29 HydrophobicContact CG2-CZ 3.91Å; V18-F29 HydrophobicContact CG1-CE2 3.86Å; V18-F29 HydrophobicContact CG1-CZ 4.41Å; C20-F29 HydrophobicContact CB-CD2 3.88Å; C20-F29 HydrophobicContact CB-CE2 3.52Å; C20-F29 HydrophobicContact CB-CZ 3.97Å; P26-F29 WeakPolarHBondContact O-CB 3.45Å; P26-F29 PolarHBondContact O-N 2.76Å; P26-F29 VanDerWaalsContact O-N 3.15Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 PolarHBondContact O-N 2.81Å; F29-A31 PolarHBondContact O-N 2.85Å; F29-L32 HydrophobicContact CD2-CD2 4.4Å; F29-L32 WeakPolarHBondContact O-CB 3.34Å; F29-L32 PolarHBondContact O-N 2.85Å; F29-L33 HydrophobicContact CD1-CD1 4.08Å; F29-L33 HydrophobicContact CD1-CG 4.47Å; F29-L33 HydrophobicContact CE1-CD1 3.81Å; F29-L33 HydrophobicContact CE1-CG 4.26Å; F29-L33 HydrophobicContact CZ-CD1 4.39Å; F29-L33 HydrophobicContact CZ-CD2 4.28Å; F29-L33 HydrophobicContact CZ-CG 4.43Å; F29-L33 WeakPolarHBondContact O-CG 3.37Å; F29-L33 PolarHBondContact O-N 2.98Å; F29-V46 HydrophobicContact CE1-CG1 4.27Å; F29-L53 HydrophobicContact CD1-CD2 3.92Å; F29-I69 HydrophobicContact CE1-CD1 4.49Å; F29-I69 HydrophobicContact CZ-CD1 4.33Å
30K81.5Confident77.8Confident12 Ų1247.7 Ų47.75%0.05227%0.271CS..Hα-helixtrans-62.2-39.2172.2-69.8-175.1175.6-171.20112.6P26 E27 L32 L33 F34 P41 Q44 V46 D55P26-K30 PolarHBondContact O-N 2.76Å; E27-K30 PolarHBondContact O-N 2.88Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-L32 PolarHBondContact O-N 2.95Å; K30-L33 CarbonylContact O-C 3.48Å; K30-L33 PolarHBondContact O-N 3.15Å; K30-F34 PolarHBondContact O-N 3.09Å; K30-P41 HydrophobicContact CB-CB 4Å; K30-P41 HydrophobicContact CB-CG 4.45Å; K30-P41 HydrophobicContact CD-CB 4.32Å; K30-Q44 VanDerWaalsContact CA-OE1 3.26Å; K30-Q44 PolarHBondContact O-NE2 2.8Å; K30-Q44 PolarHBondContact O-OE1 3.14Å; K30-V46 HydrophobicContact CG-CG2 4.49Å; K30-D55 IonicContact NZ-OD1 2.61Å; K30-D55 PolarHBondContact NZ-OD1 3.48Å
31A77.3Confident77.6Confident48 Ų4849.1 Ų49.140%0.39728%0.28SS..Hα-helixtrans-63.9-39175.300000112E27 L28 F29 F34 S35E27-A31 WeakPolarHBondContact O-CB 3.25Å; E27-A31 PolarHBondContact O-N 2.61Å; L28-A31 PolarHBondContact O-N 2.81Å; F29-A31 PolarHBondContact O-N 2.85Å; A31-F34 WeakPolarHBondContact O-CB 3.21Å; A31-F34 PolarHBondContact O-N 3.41Å; A31-S35 PolarHBondContact O-N 3.03Å
32L76.1Confident77.5Confident69 Ų6954.9 Ų54.936%0.36131%0.311SS..Hα-helixtrans-63.6-41.2171.5-175.670.4000111.7V18 L28 F29 K30 F34 S35 L36V18-L32 HydrophobicContact CG1-CD2 3.67Å; V18-L32 HydrophobicContact CG1-CG 4.41Å; L28-L32 PolarHBondContact O-N 2.94Å; F29-L32 HydrophobicContact CD2-CD2 4.4Å; F29-L32 WeakPolarHBondContact O-CB 3.34Å; F29-L32 PolarHBondContact O-N 2.85Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-L32 PolarHBondContact O-N 2.95Å; L32-F34 VanDerWaalsContact C-N 3.3Å; L32-F34 PolarHBondContact O-N 3.05Å; L32-S35 PolarHBondContact O-N 3.16Å; L32-S35 PolarHBondContact O-OG 2.91Å; L32-L36 WeakPolarHBondContact O-CG 3.37Å; L32-L36 PolarHBondContact O-N 2.84Å
33L79.9Confident77.5Confident1 Ų158.6 Ų58.61%0.00532%0.32CS..Hα-helixtrans-66-33.5174.5-66.4-179.9000112.2V8 F29 K30 L36 T37 V46 L71V8-L33 HydrophobicContact CB-CD2 4.31Å; V8-L33 HydrophobicContact CG1-CD2 3.92Å; V8-L33 HydrophobicContact CG2-CD2 3.77Å; F29-L33 HydrophobicContact CD1-CD1 4.08Å; F29-L33 HydrophobicContact CD1-CG 4.47Å; F29-L33 HydrophobicContact CE1-CD1 3.81Å; F29-L33 HydrophobicContact CE1-CG 4.26Å; F29-L33 HydrophobicContact CZ-CD1 4.39Å; F29-L33 HydrophobicContact CZ-CD2 4.28Å; F29-L33 HydrophobicContact CZ-CG 4.43Å; F29-L33 WeakPolarHBondContact O-CG 3.37Å; F29-L33 PolarHBondContact O-N 2.98Å; K30-L33 CarbonylContact O-C 3.48Å; K30-L33 PolarHBondContact O-N 3.15Å; L33-L36 PolarHBondContact O-N 3.44Å; L33-T37 WeakPolarHBondContact O-CB 3.44Å; L33-T37 PolarHBondContact O-N 2.73Å; L33-T37 PolarHBondContact O-OG1 3.18Å; L33-V46 HydrophobicContact CD1-CG1 4.19Å; L33-V46 HydrophobicContact CD1-CG2 3.57Å; L33-L71 HydrophobicContact CB-CD2 4.47Å; L33-L71 HydrophobicContact CD1-CD1 4.3Å
34F78.1Confident77.5Confident64 Ų6453 Ų5328%0.28129%0.29SS..Hα-helixtrans-64.6-41.6174.4172.8-128000111.3K30 A31 L32 L36 T37 G38 I39 R469K30-F34 PolarHBondContact O-N 3.09Å; A31-F34 WeakPolarHBondContact O-CB 3.21Å; A31-F34 PolarHBondContact O-N 3.41Å; L32-F34 VanDerWaalsContact C-N 3.3Å; L32-F34 PolarHBondContact O-N 3.05Å; F34-L36 PolarHBondContact O-N 3.49Å; F34-T37 PolarHBondContact O-N 3.21Å; F34-G38 VanDerWaalsContact CD2-C 3.43Å; F34-G38 WeakPolarHBondContact CE2-O 3.48Å; F34-G38 VanDerWaalsContact O-CA 3.31Å; F34-G38 WeakPolarHBondContact O-CA 3.26Å; F34-G38 PolarHBondContact O-N 2.93Å; F34-I39 WeakPolarHBondContact CB-O 3.44Å; F34-I39 WeakPolarHBondContact CD2-O 3.39Å; F34-R469 VanDerWaalsContact CZ-NH1 3.35Å
35S72Confident77.7Confident76 Ų7653.7 Ų53.753%0.53129%0.292SS..Hα-helixtrans-65.5-28.4176.973.60000112.7A31 L32A31-S35 PolarHBondContact O-N 3.03Å; L32-S35 PolarHBondContact O-N 3.16Å; L32-S35 PolarHBondContact O-OG 2.91Å
36L74.5Confident78Confident65 Ų6551 Ų5134%0.3427%0.274SS..Hα-helixtrans-85.2-32.8177.8-67.1174.1000114.3Y15 V18 L32 L33 F34Y15-L36 HydrophobicContact CD1-CB 4.22Å; Y15-L36 HydrophobicContact CD1-CD2 4.25Å; Y15-L36 HydrophobicContact CE1-CB 4.14Å; Y15-L36 PolarHBondContact OH-O 3.06Å; V18-L36 HydrophobicContact CG1-CD1 4.18Å; V18-L36 HydrophobicContact CG2-CD1 3.99Å; L32-L36 WeakPolarHBondContact O-CG 3.37Å; L32-L36 PolarHBondContact O-N 2.84Å; L33-L36 PolarHBondContact O-N 3.44Å; F34-L36 PolarHBondContact O-N 3.49Å
37T76.3Confident78Confident11 Ų1155 Ų557%0.06729%0.293CS..Hα-helixtrans-118.5-18-169.165.50000115W10 Y15 L33 F34 I39 L71W10-T37 HydrophobicContact CB-CG2 4.42Å; W10-T37 HydrophobicContact CD2-CG2 4.09Å; W10-T37 HydrophobicContact CE3-CG2 3.71Å; W10-T37 HydrophobicContact CG-CG2 4.4Å; W10-T37 WeakPolarHBondContact CH2-O 3.43Å; W10-T37 HydrophobicContact CZ3-CG2 4.31Å; Y15-T37 HydrophobicContact CD2-CG2 4.47Å; Y15-T37 HydrophobicContact CE2-CG2 3.79Å; L33-T37 WeakPolarHBondContact O-CB 3.44Å; L33-T37 PolarHBondContact O-N 2.73Å; L33-T37 PolarHBondContact O-OG1 3.18Å; F34-T37 PolarHBondContact O-N 3.21Å; T37-I39 PolarHBondContact O-N 3.48Å; T37-I39 PolarHBondContact OG1-N 2.83Å; T37-L71 HydrophobicContact CG2-CD2 3.66Å
38G73.4Confident78.1Confident31 Ų3149.7 Ų49.732%0.3227%0.268SS..  trans76.23.1-175.100000114.8F34F34-G38 VanDerWaalsContact CD2-C 3.43Å; F34-G38 WeakPolarHBondContact CE2-O 3.48Å; F34-G38 VanDerWaalsContact O-CA 3.31Å; F34-G38 WeakPolarHBondContact O-CA 3.26Å; F34-G38 PolarHBondContact O-N 2.93Å
39I76.4Confident77.8Confident0 Ų047.9 Ų47.90%026%0.263CS..  trans-83.5120177.1-57.9163.5000109.7W10 F34 T37 R43 Q44 L71 G73 V75W10-I39 HydrophobicContact CD2-CD1 4.16Å; W10-I39 VanDerWaalsContact CE2-CD1 3.47Å; W10-I39 HydrophobicContact CG-CD1 4.39Å; W10-I39 HydrophobicContact CZ2-CD1 3.77Å; W10-I39 HydrophobicContact CZ2-CG1 4.1Å; W10-I39 VanDerWaalsContact NE1-CD1 3.28Å; F34-I39 WeakPolarHBondContact CB-O 3.44Å; F34-I39 WeakPolarHBondContact CD2-O 3.39Å; T37-I39 PolarHBondContact O-N 3.48Å; T37-I39 PolarHBondContact OG1-N 2.83Å; I39-R43 HydrophobicContact CG2-CB 3.93Å; I39-Q44 HydrophobicContact CB-CG 4.04Å; I39-Q44 HydrophobicContact CG2-CG 3.66Å; I39-Q44 PolarHBondContact O-NE2 3.42Å; I39-L71 HydrophobicContact CD1-CD2 3.89Å; I39-L71 HydrophobicContact CD1-CG 4.24Å; I39-G73 WeakPolarHBondContact CD1-O 3.4Å; I39-V75 HydrophobicContact CG1-CG2 3.67Å
40P76.2Confident77.3Confident42 Ų4251.5 Ų51.527%0.27330%0.302SS..  trans-61.2144.9178.523.7-32.1000111.4D42 R43 Q44P40-D42 PolarHBondContact O-N 2.8Å; P40-R43 HydrophobicContact CG-CB 4.29Å; P40-R43 HydrophobicContact CG-CG 4.22Å; P40-R43 PolarHBondContact O-N 3.26Å; P40-Q44 WeakPolarHBondContact O-CG 3.45Å; P40-Q44 PolarHBondContact O-N 2.96Å
41P76.4Confident77.1Confident29 Ų2952.4 Ų52.419%0.18831%0.314CS..G310 helixtrans-47.9-37.3-174.6-31.336.8000115.3K30 R43 Q44K30-P41 HydrophobicContact CB-CB 4Å; K30-P41 HydrophobicContact CB-CG 4.45Å; K30-P41 HydrophobicContact CD-CB 4.32Å; P41-R43 PolarHBondContact O-N 3.48Å; P41-Q44 WeakPolarHBondContact O-CB 3.44Å; P41-Q44 PolarHBondContact O-N 3.3Å; P41-Q44 VanDerWaalsContact O-N 3.14Å
42D78.8Confident77.2Confident153 Ų15354 Ų5482%0.81832%0.316SS*.G310 helixtrans-66.2-24-178.4-35.6-34.3000113P40P40-D42 PolarHBondContact O-N 2.8Å
43R78.1Confident77.5Confident119 Ų11951 Ų5145%0.44930%0.3SS..G310 helixtrans-103.15.3178.6-64-173.9179-176.50.4112.8I39 P40 P41 D76I39-R43 HydrophobicContact CG2-CB 3.93Å; P40-R43 HydrophobicContact CG-CB 4.29Å; P40-R43 HydrophobicContact CG-CG 4.22Å; P40-R43 PolarHBondContact O-N 3.26Å; P41-R43 PolarHBondContact O-N 3.48Å; R43-D76 PolarHBondContact NH1-O 3.46Å
44Q78.9Confident77.2Confident9 Ų951.9 Ų51.94%0.04231%0.309CS..  trans-89.8112179-66.4-1792300111.4K30 I39 P40 P41 V46 L71K30-Q44 VanDerWaalsContact CA-OE1 3.26Å; K30-Q44 PolarHBondContact O-NE2 2.8Å; K30-Q44 PolarHBondContact O-OE1 3.14Å; I39-Q44 HydrophobicContact CB-CG 4.04Å; I39-Q44 HydrophobicContact CG2-CG 3.66Å; I39-Q44 PolarHBondContact O-NE2 3.42Å; P40-Q44 WeakPolarHBondContact O-CG 3.45Å; P40-Q44 PolarHBondContact O-N 2.96Å; P41-Q44 WeakPolarHBondContact O-CB 3.44Å; P41-Q44 PolarHBondContact O-N 3.3Å; P41-Q44 VanDerWaalsContact O-N 3.14Å; Q44-V46 HydrophobicContact CB-CG2 4.31Å; Q44-L71 HydrophobicContact CB-CD1 3.84Å; Q44-L71 HydrophobicContact CG-CD1 4.03Å
45K83.6Confident76.9Confident111 Ų11154.1 Ų54.148%0.48332%0.324SS..EExtended strand (participates in β ladder)trans-98.195.8165.7-165173.9-174.7174.90109.5I52 V72K45-I52 HydrophobicContact CG-CG2 4.12Å; K45-V72 HydrophobicContact CB-CB 4.35Å; K45-V72 WeakPolarHBondContact CB-O 3.41Å; K45-V72 PolarHBondContact N-O 3.42Å; K45-V72 PolarHBondContact O-N 2.81Å
46V84.7Confident76.6Confident0 Ų058 Ų580%033%0.333CS..EExtended strand (participates in β ladder)trans-87.9109.7-179.3-171.60000109.4F29 K30 L33 Q44 M48 L53 I69 L71F29-V46 HydrophobicContact CE1-CG1 4.27Å; K30-V46 HydrophobicContact CG-CG2 4.49Å; L33-V46 HydrophobicContact CD1-CG1 4.19Å; L33-V46 HydrophobicContact CD1-CG2 3.57Å; Q44-V46 HydrophobicContact CB-CG2 4.31Å; V46-M48 HydrophobicContact CG1-CG 4.04Å; V46-M48 HydrophobicContact CG1-SD 4.37Å; V46-L53 HydrophobicContact CB-CB 3.91Å; V46-L53 HydrophobicContact CB-CD2 4.15Å; V46-L53 HydrophobicContact CG1-CB 4.35Å; V46-L53 HydrophobicContact CG1-CD2 4.25Å; V46-L53 HydrophobicContact CG2-CD2 4.31Å; V46-L53 PolarHBondContact O-N 3.46Å; V46-I69 HydrophobicContact CG1-CG2 3.54Å; V46-L71 HydrophobicContact CG2-CD1 3.86Å
47M79.7Confident76.5Confident86 Ų8659.9 Ų59.942%0.42434%0.344SS..EExtended strand (participates in β ladder)trans-96.7115.1179.2-58.8-176.57200110.4I69 M70 V72M47-I69 WeakPolarHBondContact O-CG2 3.48Å; M47-M70 HydrophobicContact CB-CB 4.35Å; M47-M70 WeakPolarHBondContact CB-O 3.45Å; M47-M70 PolarHBondContact N-O 3.27Å; M47-M70 PolarHBondContact O-N 3.3Å; M47-V72 HydrophobicContact SD-CG2 4.25Å
48M80.9Confident76.2Confident12 Ų1260.5 Ų60.56%0.05935%0.345CS..EExtended strand (participates in β ladder)trans-113.7157.3-178.7-55179.773.500110.1V46 G50 G51 L53 I61 L63 I69V46-M48 HydrophobicContact CG1-CG 4.04Å; V46-M48 HydrophobicContact CG1-SD 4.37Å; M48-G50 PolarHBondContact O-N 2.91Å; M48-G51 CarbonylContact C-O 3.52Å; M48-G51 PolarHBondContact N-O 3.04Å; M48-G51 PolarHBondContact O-N 2.74Å; M48-G51 VanDerWaalsContact O-N 3.1Å; M48-L53 HydrophobicContact SD-CB 4.06Å; M48-L53 HydrophobicContact SD-CD1 4Å; M48-L53 HydrophobicContact SD-CD2 4.34Å; M48-L53 HydrophobicContact SD-CG 4.36Å; M48-I61 HydrophobicContact CB-CD1 4.19Å; M48-I61 HydrophobicContact CB-CG2 3.65Å; M48-I61 HydrophobicContact CE-CG2 4.1Å; M48-I61 HydrophobicContact SD-CD1 4Å; M48-I61 HydrophobicContact SD-CG2 4.26Å; M48-L63 HydrophobicContact CE-CD1 3.51Å; M48-L63 HydrophobicContact CE-CD2 3.19Å; M48-L63 HydrophobicContact CE-CG 3.71Å; M48-I69 HydrophobicContact CE-CD1 3.59Å; M48-I69 HydrophobicContact CE-CG1 4.45Å; M48-I69 HydrophobicContact CG-CD1 4.13Å; M48-I69 HydrophobicContact CG-CG1 4.22Å; M48-I69 HydrophobicContact CG-CG2 4.01Å; M48-I69 HydrophobicContact SD-CD1 4.45Å
49P69.9Low75.8Confident61 Ų6164.6 Ų64.640%0.39636%0.36SS..THydrogen-bonded Turntrans-61.8114.7175.7-23.235.2000111.1I67P49-I67 HydrophobicContact CG-CD1 4.31Å; P49-I67 HydrophobicContact CG-CG2 3.42Å; P49-I67 VanDerWaalsContact CG-CG2 3.42Å
50G71.5Confident75.2Confident83 Ų8368.1 Ų68.186%0.85640%0.396SS*.THydrogen-bonded Turntrans105.2-11-178.100000115M48M48-G50 PolarHBondContact O-N 2.91Å
51G77.1Confident74.8Confident30 Ų3066.8 Ų66.831%0.30939%0.386SS..EExtended strand (participates in β ladder)trans170.6173.7176.900000115.2M48M48-G51 CarbonylContact C-O 3.52Å; M48-G51 PolarHBondContact N-O 3.04Å; M48-G51 PolarHBondContact O-N 2.74Å; M48-G51 VanDerWaalsContact O-N 3.1Å
52I79.4Confident74.5Confident83 Ų8374 Ų7443%0.42642%0.415SS..EExtended strand (participates in β ladder)trans-87.4135169.6-60.4161.8000107.2K45 G54K45-I52 HydrophobicContact CG-CG2 4.12Å; I52-G54 PolarHBondContact O-N 2.82Å
53L81Confident74.4Confident6 Ų667.4 Ų67.43%0.03138%0.379CS..PPolyproline II helixtrans-62.9120.7175.8-172.861.6000109.5P26 F29 V46 M48 Y58 I61P26-L53 HydrophobicContact CB-CD1 3.97Å; P26-L53 HydrophobicContact CB-CD2 4.2Å; P26-L53 HydrophobicContact CB-CG 4.05Å; P26-L53 HydrophobicContact CG-CD1 4.29Å; F29-L53 HydrophobicContact CD1-CD2 3.92Å; V46-L53 HydrophobicContact CB-CB 3.91Å; V46-L53 HydrophobicContact CB-CD2 4.15Å; V46-L53 HydrophobicContact CG1-CB 4.35Å; V46-L53 HydrophobicContact CG1-CD2 4.25Å; V46-L53 HydrophobicContact CG2-CD2 4.31Å; V46-L53 PolarHBondContact O-N 3.46Å; M48-L53 HydrophobicContact SD-CB 4.06Å; M48-L53 HydrophobicContact SD-CD1 4Å; M48-L53 HydrophobicContact SD-CD2 4.34Å; M48-L53 HydrophobicContact SD-CG 4.36Å; L53-Y58 HydrophobicContact CD1-CD1 3.41Å; L53-Y58 VanDerWaalsContact CD1-CD1 3.41Å; L53-Y58 HydrophobicContact CD1-CE1 3.6Å; L53-Y58 HydrophobicContact CD1-CG 4.07Å; L53-I61 HydrophobicContact CD1-CD1 4.34Å
54G74.8Confident74.4Confident18 Ų1869 Ų6919%0.18639%0.389CS..PPolyproline II helixtrans-77.6173.6172.400000111.9P26 I52P26-G54 WeakPolarHBondContact CB-O 3.45Å; I52-G54 PolarHBondContact O-N 2.82Å
55D70.7Confident74.5Confident112 Ų11273.9 Ų73.960%0.59942%0.416SS*.SBendtrans-78.6-35.9-178.4-60.8-41.3000112.4K30K30-D55 IonicContact NZ-OD1 2.61Å; K30-D55 PolarHBondContact NZ-OD1 3.48Å
56E66.5Low74.2Confident157 Ų15770.5 Ų70.573%0.73441%0.412SS*.SBendtrans-97.6-34.8-173.4-61.4-174.4170.600113.7P26P26-E56 WeakPolarHBondContact CD-O 3.23Å
57N72.1Confident74.2Confident104 Ų10472 Ų7256%0.55642%0.42SS*.  trans-145.9155.2-172.2-71.1-53.1000113.7N59N57-N59 PolarHBondContact O-N 3.49Å; N57-N59 VanDerWaalsContact O-N 3.08Å
58Y70.2Confident74.4Confident24 Ų2472.7 Ų72.79%0.09443%0.425CS..  trans-7311.4177.4-76.8-88.2000115.1N21 T22 E24 P26 L53 G60 I61N21-Y58 PolarHBondContact O-OH 3.24Å; N21-Y58 VanDerWaalsContact O-OH 3.09Å; T22-Y58 HydrophobicContact CG2-CD1 4.38Å; T22-Y58 HydrophobicContact CG2-CG 4.45Å; E24-Y58 WeakPolarHBondContact O-CE2 3.16Å; P26-Y58 HydrophobicContact CB-CE2 4.48Å; P26-Y58 HydrophobicContact CG-CD2 3.96Å; P26-Y58 HydrophobicContact CG-CE2 3.92Å; L53-Y58 HydrophobicContact CD1-CD1 3.41Å; L53-Y58 VanDerWaalsContact CD1-CD1 3.41Å; L53-Y58 HydrophobicContact CD1-CE1 3.6Å; L53-Y58 HydrophobicContact CD1-CG 4.07Å; Y58-G60 PolarHBondContact O-N 2.72Å; Y58-I61 VanDerWaalsContact O-CB 3.28Å; Y58-I61 WeakPolarHBondContact O-CB 3.27Å; Y58-I61 WeakPolarHBondContact O-CD1 3.34Å; Y58-I61 WeakPolarHBondContact O-CG1 3.41Å; Y58-I61 PolarHBondContact O-N 3.33Å
59N64.5Low74.6Confident118 Ų11872.2 Ų72.263%0.63142%0.423SS*.THydrogen-bonded Turntrans37.140.3170.6-70.5-13.6000117.2N57 I61N57-N59 PolarHBondContact O-N 3.49Å; N57-N59 VanDerWaalsContact O-N 3.08Å; N59-I61 VanDerWaalsContact C-N 3.27Å; N59-I61 PolarHBondContact O-N 3.2Å
60G64.4Low75.2Confident73 Ų7374 Ų7475%0.75343%0.428SS*.THydrogen-bonded Turntrans70.716178.500000115.3Y58 K62Y58-G60 PolarHBondContact O-N 2.72Å; G60-K62 PolarHBondContact O-N 3.15Å
61I68.1Low75.9Confident15 Ų1570.2 Ų70.28%0.07739%0.388CS..  trans-64.7118.7176.8-63.8164.7000109.1M48 L53 Y58 N59 L63M48-I61 HydrophobicContact CB-CD1 4.19Å; M48-I61 HydrophobicContact CB-CG2 3.65Å; M48-I61 HydrophobicContact CE-CG2 4.1Å; M48-I61 HydrophobicContact SD-CD1 4Å; M48-I61 HydrophobicContact SD-CG2 4.26Å; L53-I61 HydrophobicContact CD1-CD1 4.34Å; Y58-I61 VanDerWaalsContact O-CB 3.28Å; Y58-I61 WeakPolarHBondContact O-CB 3.27Å; Y58-I61 WeakPolarHBondContact O-CD1 3.34Å; Y58-I61 WeakPolarHBondContact O-CG1 3.41Å; Y58-I61 PolarHBondContact O-N 3.33Å; N59-I61 VanDerWaalsContact C-N 3.27Å; N59-I61 PolarHBondContact O-N 3.2Å; I61-L63 HydrophobicContact CG2-CD2 4.4Å; I61-L63 HydrophobicContact CG2-CG 4.28Å; I61-L63 PolarHBondContact O-N 3.45Å
62K69.2Low76Confident181 Ų18172.3 Ų72.379%0.78739%0.394SS*.  trans-87.7101.5178.6-69.5-174.9-179.7179.50110.4G60G60-K62 PolarHBondContact O-N 3.15Å
63L76.4Confident75.9Confident13 Ų1369.1 Ų69.17%0.06838%0.382CS..  trans-85.4149.9175.6-71.4168.5000112.5Y4 V6 C20 T22 M48 I61 I69Y4-L63 HydrophobicContact CD1-CB 4.05Å; Y4-L63 HydrophobicContact CD2-CB 3.69Å; Y4-L63 HydrophobicContact CD2-CD1 4.01Å; Y4-L63 HydrophobicContact CE1-CB 4.37Å; Y4-L63 WeakPolarHBondContact CE1-O 3.43Å; Y4-L63 HydrophobicContact CE2-CB 4.05Å; Y4-L63 HydrophobicContact CG-CB 3.68Å; V6-L63 HydrophobicContact CG1-CD2 4.03Å; C20-L63 HydrophobicContact CB-CD1 4.48Å; T22-L63 HydrophobicContact CG2-CD1 3.7Å; M48-L63 HydrophobicContact CE-CD1 3.51Å; M48-L63 HydrophobicContact CE-CD2 3.19Å; M48-L63 HydrophobicContact CE-CG 3.71Å; I61-L63 HydrophobicContact CG2-CD2 4.4Å; I61-L63 HydrophobicContact CG2-CG 4.28Å; I61-L63 PolarHBondContact O-N 3.45Å; L63-I69 HydrophobicContact CD2-CD1 4.44Å
64K78.3Confident75.4Confident152 Ų15271.3 Ų71.366%0.66140%0.397SS*.  trans-139.6153.8169.2-59.8-176.9178.4-178.20107.8I67K64-I67 HydrophobicContact CB-CD1 3.74Å; K64-I67 HydrophobicContact CB-CG1 4.05Å; K64-I67 HydrophobicContact CG-CD1 4.23Å; K64-I67 WeakPolarHBondContact O-CB 3.48Å; K64-I67 VanDerWaalsContact O-CG1 3.29Å; K64-I67 WeakPolarHBondContact O-CG1 3.36Å; K64-I67 PolarHBondContact O-N 3.26Å
65D81.7Confident74.8Confident112 Ų11273.9 Ų73.960%0.59941%0.409SS*.THydrogen-bonded Turntrans-61.3138.3175.4-68.7-33.9000111.7Y4 K5 I67Y4-D65 VanDerWaalsContact CA-OD1 3.3Å; Y4-D65 WeakPolarHBondContact CA-OD1 3.47Å; K5-D65 PolarHBondContact N-OD1 2.89Å; K5-D65 CarbonylContact O-C 3.52Å; K5-D65 WeakPolarHBondContact O-CA 3.5Å; D65-I67 VanDerWaalsContact C-N 3.34Å
66G77Confident73.7Confident40 Ų4073.2 Ų73.241%0.41241%0.406SS..THydrogen-bonded Turntrans82.8-0.4179.900000115.6K5 N7K5-G66 PolarHBondContact O-N 2.94Å; N7-G66 PolarHBondContact ND2-O 3.06Å
67I84.4Confident72.4Confident33 Ų3374.4 Ų74.417%0.16941%0.411CS..  trans-60.2140.7178.4-78.7-177.7000111.5N7 P49 K64 D65 I69N7-I67 PolarHBondContact N-O 3.33Å; P49-I67 HydrophobicContact CG-CD1 4.31Å; P49-I67 HydrophobicContact CG-CG2 3.42Å; P49-I67 VanDerWaalsContact CG-CG2 3.42Å; K64-I67 HydrophobicContact CB-CD1 3.74Å; K64-I67 HydrophobicContact CB-CG1 4.05Å; K64-I67 HydrophobicContact CG-CD1 4.23Å; K64-I67 WeakPolarHBondContact O-CB 3.48Å; K64-I67 VanDerWaalsContact O-CG1 3.29Å; K64-I67 WeakPolarHBondContact O-CG1 3.36Å; K64-I67 PolarHBondContact O-N 3.26Å; D65-I67 VanDerWaalsContact C-N 3.34Å; I67-I69 HydrophobicContact CG2-CG1 4.32Å
68N83.4Confident70.5Confident99 Ų9976.3 Ų76.353%0.52942%0.42SS..EExtended strand (participates in β ladder)trans-87.2123171.1-61.9-50.5000110.7N7N7-N68 VanDerWaalsContact CB-OD1 3.26Å; N7-N68 WeakPolarHBondContact CB-OD1 3.44Å; N7-N68 CarbonylContact O-C 3.57Å; N7-N68 VanDerWaalsContact O-CA 3.27Å; N7-N68 WeakPolarHBondContact O-CA 3.41Å
69I85.9Confident68.7Low2 Ų279.9 Ų79.91%0.0145%0.446CS..EExtended strand (participates in β ladder)trans-106.1139.4173.3-63.5175.9000107.7V6 N7 V8 K9 F29 V46 M47 M48 L63 I67V6-I69 HydrophobicContact CB-CD1 3.57Å; V6-I69 HydrophobicContact CB-CG1 4.21Å; V6-I69 HydrophobicContact CG1-CD1 3.87Å; V6-I69 HydrophobicContact CG2-CD1 3.5Å; N7-I69 PolarHBondContact O-N 3.1Å; V8-I69 CarbonylContact C-O 3.59Å; V8-I69 WeakPolarHBondContact CA-O 3.34Å; K9-I69 PolarHBondContact N-O 3.08Å; F29-I69 HydrophobicContact CE1-CD1 4.49Å; F29-I69 HydrophobicContact CZ-CD1 4.33Å; V46-I69 HydrophobicContact CG1-CG2 3.54Å; M47-I69 WeakPolarHBondContact O-CG2 3.48Å; M48-I69 HydrophobicContact CE-CD1 3.59Å; M48-I69 HydrophobicContact CE-CG1 4.45Å; M48-I69 HydrophobicContact CG-CD1 4.13Å; M48-I69 HydrophobicContact CG-CG1 4.22Å; M48-I69 HydrophobicContact CG-CG2 4.01Å; M48-I69 HydrophobicContact SD-CD1 4.45Å; L63-I69 HydrophobicContact CD2-CD1 4.44Å; I67-I69 HydrophobicContact CG2-CG1 4.32Å
70M83.5Confident67.3Low100 Ų10081.1 Ų81.149%0.49345%0.451SS..EExtended strand (participates in β ladder)trans-105.7120.3176.8-166.4177.3-61.400109.6K9 M47 V72K9-M70 WeakPolarHBondContact O-CA 3.31Å; M47-M70 HydrophobicContact CB-CB 4.35Å; M47-M70 WeakPolarHBondContact CB-O 3.45Å; M47-M70 PolarHBondContact N-O 3.27Å; M47-M70 PolarHBondContact O-N 3.3Å; M70-V72 HydrophobicContact CG-CG2 4.39Å
71L85.4Confident65.6Low3 Ų382.4 Ų82.42%0.01645%0.449CS..EExtended strand (participates in β ladder)trans-95125.6172.3175.467.8000108.4V8 K9 W10 L33 T37 I39 Q44 V46V8-L71 HydrophobicContact CG1-CB 3.95Å; K9-L71 PolarHBondContact O-N 3.49Å; W10-L71 HydrophobicContact CB-CB 4.21Å; W10-L71 HydrophobicContact CB-CD2 4.33Å; W10-L71 HydrophobicContact CG-CD2 4.28Å; L33-L71 HydrophobicContact CB-CD2 4.47Å; L33-L71 HydrophobicContact CD1-CD1 4.3Å; T37-L71 HydrophobicContact CG2-CD2 3.66Å; I39-L71 HydrophobicContact CD1-CD2 3.89Å; I39-L71 HydrophobicContact CD1-CG 4.24Å; Q44-L71 HydrophobicContact CB-CD1 3.84Å; Q44-L71 HydrophobicContact CG-CD1 4.03Å; V46-L71 HydrophobicContact CG2-CD1 3.86Å
72V78.9Confident63.7Low73 Ų7390.8 Ų90.844%0.44249%0.488SS..EExtended strand (participates in β ladder)trans-116.5119.9173.2-177.70000108K45 M47 M70K45-V72 HydrophobicContact CB-CB 4.35Å; K45-V72 WeakPolarHBondContact CB-O 3.41Å; K45-V72 PolarHBondContact N-O 3.42Å; K45-V72 PolarHBondContact O-N 2.81Å; M47-V72 HydrophobicContact SD-CG2 4.25Å; M70-V72 HydrophobicContact CG-CG2 4.39Å
73G77.6Confident61.8Low16 Ų1688 Ų8817%0.16549%0.486CS..  trans-176.6146.9178.400000108.9W10 I39W10-G73 PolarHBondContact NE1-O 2.78Å; I39-G73 WeakPolarHBondContact CD1-O 3.4Å
74S69.8Low59.8Low52 Ų5292.5 Ų92.536%0.36452%0.516SS..  trans-106.9141.8174.445.40000109.8D76S74-D76 VanDerWaalsContact CB-OD2 3.27Å; S74-D76 WeakPolarHBondContact CB-OD2 3.13Å; S74-D76 PolarHBondContact O-N 2.69Å; S74-D76 PolarHBondContact OG-OD2 3.47Å
75V63.1Low57.2Low72 Ų7291.8 Ų91.844%0.43653%0.528SS..  trans-83.3-0.5178.5-1790000110.7W10 I39 E77W10-V75 HydrophobicContact CH2-CG2 3.82Å; W10-V75 HydrophobicContact CZ2-CG2 3.76Å; I39-V75 HydrophobicContact CG1-CG2 3.67Å; V75-E77 PolarHBondContact O-N 2.8Å
76D46.9Very low54.8Low98 Ų9894.4 Ų94.452%0.52454%0.542SS..  trans-48113.5-166.5-56.7-24000112.2R43 S74 I78R43-D76 PolarHBondContact NH1-O 3.46Å; S74-D76 VanDerWaalsContact CB-OD2 3.27Å; S74-D76 WeakPolarHBondContact CB-OD2 3.13Å; S74-D76 PolarHBondContact O-N 2.69Å; S74-D76 PolarHBondContact OG-OD2 3.47Å; D76-I78 PolarHBondContact O-N 3.24Å
77E39.5Very low52.5Low182 Ų18299.4 Ų99.485%0.8556%0.559SS**  trans-48.3133164.4-68.3177.6172.300107.4V75 P79V75-E77 PolarHBondContact O-N 2.8Å; E77-P79 WeakPolarHBondContact O-CD 3.33Å
78I32.2Very low49.9Very low144 Ų144105.4 Ų105.474%0.73859%0.591SS**  trans-41.9107-174-60.2160.9000109D76 I80D76-I78 PolarHBondContact O-N 3.24Å; I78-I80 PolarHBondContact O-N 3.33Å
79P31.6Very low47.2Very low100 Ų100105.6 Ų105.665%0.64960%0.601SS**  trans-71.3114.9178.2-12.227.2000106.1E77 S81E77-P79 WeakPolarHBondContact O-CD 3.33Å; P79-S81 PolarHBondContact O-N 2.84Å; P79-S81 VanDerWaalsContact O-N 3.07Å
80I35.8Very low44.5Very low143 Ų143115.4 Ų115.473%0.73364%0.643SS**  trans-48.1118.9168.4-62.5166.7000105.9I78 E82I78-I80 PolarHBondContact O-N 3.33Å; I80-E82 PolarHBondContact O-N 3.03Å
81S29.8Very low42.1Very low100 Ų100117.7 Ų117.770%0.69966%0.662SS**  trans-64.497-175.763.10000109.2P79 T83P79-S81 PolarHBondContact O-N 2.84Å; P79-S81 VanDerWaalsContact O-N 3.07Å; S81-T83 VanDerWaalsContact C-N 3.32Å; S81-T83 PolarHBondContact O-N 2.92Å
82E27Very low39.4Very low191 Ų191121.7 Ų121.789%0.89370%0.696SS**  trans-65.696.4164.5-68.9-176.3175.100107.5I80I80-E82 PolarHBondContact O-N 3.03Å
83T29.2Very low36.9Very low123 Ų123127.2 Ų127.276%0.75572%0.717SS**  trans-81.6141.2159.624.80000108.1S81S81-T83 VanDerWaalsContact C-N 3.32Å; S81-T83 PolarHBondContact O-N 2.92Å
84P34.9Very low34.6Very low108 Ų108131.4 Ų131.470%0.70174%0.743SS**  trans-78.2136-143.527.7-34000113.6L86P84-L86 PolarHBondContact O-N 3.44Å
85C24.7Very low32.9Very low136 Ų136134.4 Ų134.492%0.91976%0.76SS**  trans2.995.1154.4-630000115.3
86L30.5Very low31.7Very low168 Ų168139.3 Ų139.388%0.8878%0.778SS**  trans-109.1114.9155.7-111.4111.6000109.3P84P84-L86 PolarHBondContact O-N 3.44Å
87D28.5Very low31.7Very low145 Ų145141.5 Ų141.578%0.77579%0.79SS**  trans22.4112.6165.8-88.7-33.6000120.8S89D87-S89 PolarHBondContact O-N 3.48Å
88N28.9Very low32.5Very low158 Ų158137.5 Ų137.585%0.84578%0.782SS**  trans-16.4106.3146.9-67.6-35.2000115.6
89S28.2Very low34.1Very low104 Ų104134.7 Ų134.773%0.72777%0.767SS**  -176.5111.3129.832.80000113.1D87D87-S89 PolarHBondContact O-N 3.48Å
90K29.2Very low36.4Very low207 Ų207136.8 Ų136.890%0.977%0.766SS**  trans50.385.7145.5-55.9-179.5-178.8178.90117.6
91V31.7Very low38.8Very low148 Ų148133.9 Ų133.990%0.89775%0.752SS**  trans-139.7135.6147.2-171.30000109.4
92A29.2Very low41.7Very low87 Ų87130 Ų13072%0.71972%0.724SS**  trans-57.3147.3-165.900000115S94A92-S94 PolarHBondContact O-N 3.03Å
93H26.8Very low44.9Very low190 Ų190121.5 Ų121.588%0.8869%0.685SS**  trans-49.497.3171.8-60.3-74.9000112.2T95H93-T95 PolarHBondContact O-N 3.07Å
94S30Very low48Very low103 Ų103115.7 Ų115.772%0.7265%0.65SS**  trans-73.9100.1153.553.60000106.4A92 E96A92-S94 PolarHBondContact O-N 3.03Å; S94-E96 PolarHBondContact O-N 2.82Å
95T32.7Very low50.9Low116 Ų116110.6 Ų110.671%0.71262%0.617SS**  trans-53106.7164.239.30000107.7H93 D97H93-T95 PolarHBondContact O-N 3.07Å; T95-D97 VanDerWaalsContact C-N 3.32Å; T95-D97 PolarHBondContact O-N 2.95Å
96E38.8Very low54.2Low174 Ų174105.9 Ų105.981%0.81358%0.584SS**  trans-59.9100.4166.6-70.6178.6160.400106.5S94 S98S94-E96 PolarHBondContact O-N 2.82Å; E96-S98 PolarHBondContact O-N 3.21Å
97D46.7Very low57.1Low145 Ų145100.2 Ų100.278%0.77555%0.554SS**  trans-61.492.1169.4-81.5-31.7000107.1T95 I99T95-D97 VanDerWaalsContact C-N 3.32Å; T95-D97 PolarHBondContact O-N 2.95Å; D97-I99 PolarHBondContact O-N 3.25Å
98S56.5Low60Low98 Ų9893.7 Ų93.769%0.68552%0.519SS*.  trans-54.8110.9175.259.80000107.9E96 K100E96-S98 PolarHBondContact O-N 3.21Å; S98-K100 PolarHBondContact O-N 2.82Å
99I66Low62.6Low85 Ų8588 Ų8844%0.43650%0.498SS..  trans-57.4110.7-179.6-62.7168.9000107.6D97 L101 M461 F463D97-I99 PolarHBondContact O-N 3.25Å; I99-L101 PolarHBondContact O-N 3.08Å; I99-M461 HydrophobicContact CD1-SD 4.03Å; I99-M461 HydrophobicContact CG2-SD 4.35Å; I99-F463 HydrophobicContact CG2-CE1 4.41Å; I99-F463 HydrophobicContact CG2-CZ 4.32Å
100K78.9Confident65.6Low144 Ų14486 Ų8663%0.62648%0.479SS*.  trans-71.9114.9-179.3-69.6-173.4170.2-1550109.9S98 E164S98-K100 PolarHBondContact O-N 2.82Å; K100-E164 WeakPolarHBondContact CD-OE1 3.3Å; K100-E164 IonicContact NZ-OE1 3.05Å; K100-E164 PolarHBondContact NZ-OE1 3.11Å
101L86.7Confident68.6Low82 Ų8276.2 Ų76.243%0.42944%0.437SS..PPolyproline II helixtrans-67.3135.4176.5-66.4171.9000110.4I99 F463 V470I99-L101 PolarHBondContact O-N 3.08Å; L101-F463 HydrophobicContact CD2-CD1 3.99Å; L101-F463 HydrophobicContact CD2-CE1 3.92Å; L101-V470 HydrophobicContact CD2-CG1 4.5Å
102P91.1Very high71.5Confident17 Ų1769.3 Ų69.311%0.1140%0.395CS..PPolyproline II helixtrans-68.3156.1173.327.5-31.5000111.2F463 F465 V470P102-F463 HydrophobicContact CG-CB 4.44Å; P102-F463 HydrophobicContact CG-CD1 4.26Å; P102-F463 HydrophobicContact CG-CG 4.15Å; P102-F465 HydrophobicContact CB-CE1 3.98Å; P102-F465 HydrophobicContact CB-CZ 3.95Å; P102-F465 HydrophobicContact CG-CE1 3.68Å; P102-F465 HydrophobicContact CG-CE2 4.41Å; P102-F465 HydrophobicContact CG-CZ 3.36Å; P102-V470 HydrophobicContact CG-CG1 4.01Å; P102-V470 WeakPolarHBondContact O-CG2 3.45Å
103P93.1Very high74.7Confident13 Ų1365.2 Ų65.28%0.08436%0.361CS..PPolyproline II helixtrans-73.2137.9-177.929.9-35.7000112.4Q119 L160 T163 K165P103-Q119 PolarHBondContact O-NE2 3.13Å; P103-L160 HydrophobicContact CB-CD2 4.24Å; P103-L160 HydrophobicContact CG-CB 4.43Å; P103-L160 HydrophobicContact CG-CD2 3.88Å; P103-L160 WeakPolarHBondContact CG-O 3.35Å; P103-T163 HydrophobicContact CB-CG2 4Å; P103-T163 HydrophobicContact CG-CG2 4.09Å; P103-T163 VanDerWaalsContact CG-O 3.31Å; P103-T163 WeakPolarHBondContact CG-O 3.47Å; P103-K165 WeakPolarHBondContact CB-O 3.16Å
104G95.1Very high78Confident1 Ų156.2 Ų56.21%0.0132%0.319CS..  trans-83.8177.616900000113.4P166 V167 D467G104-P166 WeakPolarHBondContact O-CA 3.48Å; G104-V167 PolarHBondContact O-N 2.78Å; G104-D467 CarbonylContact C-O 3.59Å; G104-D467 WeakPolarHBondContact CA-O 3.42Å
105L95.8Very high81.2Confident1 Ų151.4 Ų51.41%0.00529%0.285CS..BIsolated β-bridgetrans-113.7124.3176-71.5173.2000110.3N107 N115 V118 Q119 L156 L160 V167 P169 D467 D468L105-N107 PolarHBondContact O-N 3.47Å; L105-N115 HydrophobicContact CB-CB 4.02Å; L105-N115 HydrophobicContact CD1-CB 4.12Å; L105-N115 PolarHBondContact O-ND2 3.1Å; L105-V118 HydrophobicContact CD1-CB 3.96Å; L105-V118 HydrophobicContact CD1-CG1 3.75Å; L105-Q119 HydrophobicContact CD1-CG 4.14Å; L105-L156 HydrophobicContact CD2-CD1 3.83Å; L105-L156 HydrophobicContact CD2-CD2 4.49Å; L105-L156 HydrophobicContact CD2-CG 4.47Å; L105-L160 HydrophobicContact CD2-CD1 4.28Å; L105-L160 HydrophobicContact CD2-CD2 3.9Å; L105-L160 HydrophobicContact CD2-CG 4.37Å; L105-L160 HydrophobicContact CG-CD2 4.37Å; L105-V167 CarbonylContact C-O 3.52Å; L105-V167 WeakPolarHBondContact CA-O 3.35Å; L105-V167 HydrophobicContact CD2-CB 4.1Å; L105-V167 HydrophobicContact CD2-CG1 4.49Å; L105-P169 HydrophobicContact CD2-CB 4.3Å; L105-P169 HydrophobicContact CD2-CG 4.41Å; L105-D467 PolarHBondContact N-O 3.28Å; L105-D467 CarbonylContact O-C 3.46Å; L105-D467 VanDerWaalsContact O-CA 3.25Å; L105-D467 WeakPolarHBondContact O-CA 3.11Å; L105-D467 WeakPolarHBondContact O-CB 3.48Å; L105-D468 PolarHBondContact O-N 3.38Å
106V94.2Very high84.3Confident37 Ų3746 Ų4622%0.22425%0.253CS..  trans-61.4126.8178.7-179.80000109.8L108 N115 P166 V167 T168 P169 D468V106-L108 PolarHBondContact O-N 3.13Å; V106-N115 PolarHBondContact O-ND2 2.84Å; V106-P166 HydrophobicContact CG2-CB 3.88Å; V106-V167 PolarHBondContact N-O 3.06Å; V106-T168 WeakPolarHBondContact CG2-OG1 3.46Å; V106-P169 WeakPolarHBondContact O-CD 3.03Å; V106-D468 HydrophobicContact CG2-CB 4.31Å
107N91.3Very high87.1Confident49 Ų4937.7 Ų37.726%0.26221%0.214SC..  trans-70.4127.7172.8-163.5-27.1000110.2L105 G109 T111 D467L105-N107 PolarHBondContact O-N 3.47Å; N107-G109 PolarHBondContact ND2-O 3.29Å; N107-G109 PolarHBondContact OD1-N 2.61Å; N107-G109 PolarHBondContact OD1-O 3.23Å; N107-T111 PolarHBondContact OD1-N 2.71Å; N107-T111 PolarHBondContact OD1-OG1 2.75Å; N107-T111 VanDerWaalsContact OD1-OG1 3.14Å; N107-D467 HydrophobicContact CB-CB 3.94Å; N107-D467 WeakPolarHBondContact CB-OD2 3.39Å; N107-D467 PolarHBondContact ND2-OD2 2.78Å
108L88.3Confident89.5Confident8 Ų830.8 Ų30.84%0.04218%0.177CC..  trans-103.233.4179.9-64.7175.9000111.9V106 T111 T168 P169 L170 L173 S204V106-L108 PolarHBondContact O-N 3.13Å; L108-T111 HydrophobicContact CB-CG2 3.96Å; L108-T111 PolarHBondContact N-OG1 3.33Å; L108-T168 HydrophobicContact CD1-CG2 4.35Å; L108-T168 HydrophobicContact CD2-CG2 3.98Å; L108-P169 HydrophobicContact CD1-CG 4.26Å; L108-L170 HydrophobicContact CD1-CB 4.34Å; L108-L170 HydrophobicContact CD1-CD1 4.11Å; L108-L173 HydrophobicContact CB-CD2 3.93Å; L108-L173 HydrophobicContact CD1-CB 4.48Å; L108-L173 HydrophobicContact CD1-CD2 3.72Å; L108-L173 HydrophobicContact CG-CD2 4.49Å; L108-S204 WeakPolarHBondContact O-CB 3.48Å; L108-S204 PolarHBondContact O-OG 2.99Å
109G84.7Confident91.4Very high39 Ų3926.5 Ų26.540%0.40215%0.146SC..SBendtrans119.6-102.3179.300000110.1N107N107-G109 PolarHBondContact ND2-O 3.29Å; N107-G109 PolarHBondContact OD1-N 2.61Å; N107-G109 PolarHBondContact OD1-O 3.23Å
110N89.6Confident92.9Very high62 Ų6222.5 Ų22.533%0.33213%0.125SC..SBendtrans-103.537.8176.7-70.3-27.3000111.6Y113 F207 Q209N110-Y113 WeakPolarHBondContact O-CD1 3.44Å; N110-Y113 WeakPolarHBondContact O-CE1 3.47Å; N110-F207 WeakPolarHBondContact CB-O 3.26Å; N110-F207 PolarHBondContact ND2-O 3.23Å; N110-Q209 HydrophobicContact CB-CB 4.02Å
111T92.7Very high93.8Very high1 Ų115.6 Ų15.61%0.00610%0.096CC..  trans-98.210.7-172.8670000114.3N107 L108 Y113 M114 N115 L173N107-T111 PolarHBondContact OD1-N 2.71Å; N107-T111 PolarHBondContact OD1-OG1 2.75Å; N107-T111 VanDerWaalsContact OD1-OG1 3.14Å; L108-T111 HydrophobicContact CB-CG2 3.96Å; L108-T111 PolarHBondContact N-OG1 3.33Å; T111-Y113 PolarHBondContact O-N 3.39Å; T111-M114 WeakPolarHBondContact O-CB 3.1Å; T111-M114 PolarHBondContact O-N 3.31Å; T111-M114 VanDerWaalsContact O-N 3.11Å; T111-N115 PolarHBondContact O-N 3.47Å; T111-L173 HydrophobicContact CG2-CD1 3.75Å; T111-L173 HydrophobicContact CG2-CD2 3.85Å; T111-L173 HydrophobicContact CG2-CG 4.48Å
112C94.2Very high94.3Very high3 Ų313.5 Ų13.52%0.028%0.083CC..Hα-helixtrans-59.7-32.7-179.557.80000112.6M114 N115 A116 D467C112-M114 VanDerWaalsContact C-N 3.32Å; C112-M114 PolarHBondContact O-N 2.93Å; C112-N115 PolarHBondContact O-N 3.12Å; C112-A116 WeakPolarHBondContact O-CB 3.16Å; C112-A116 PolarHBondContact O-N 2.88Å; C112-D467 WeakPolarHBondContact CA-OD1 3.38Å
113Y94.8Very high94.4Very high2 Ų213.7 Ų13.71%0.0089%0.085CC..Hα-helixtrans-57.8-44.517570.9-91.7000111.9N110 T111 A117 F183 Q210 C215N110-Y113 WeakPolarHBondContact O-CD1 3.44Å; N110-Y113 WeakPolarHBondContact O-CE1 3.47Å; T111-Y113 PolarHBondContact O-N 3.39Å; Y113-A117 WeakPolarHBondContact O-CB 3.49Å; Y113-A117 PolarHBondContact O-N 3.11Å; Y113-F183 HydrophobicContact CE2-CD1 4.32Å; Y113-F183 HydrophobicContact CE2-CG 4.48Å; Y113-Q210 VanDerWaalsContact CB-O 3.29Å; Y113-Q210 WeakPolarHBondContact CB-O 3.43Å; Y113-Q210 HydrophobicContact CD1-CB 3.91Å; Y113-Q210 HydrophobicContact CD1-CG 4.48Å; Y113-Q210 HydrophobicContact CD2-CB 3.97Å; Y113-Q210 HydrophobicContact CE1-CB 3.71Å; Y113-Q210 HydrophobicContact CE1-CG 3.82Å; Y113-Q210 HydrophobicContact CE2-CB 3.79Å; Y113-Q210 HydrophobicContact CE2-CG 4.3Å; Y113-Q210 HydrophobicContact CG-CB 4.06Å; Y113-C215 HydrophobicContact CD2-CB 3.61Å; Y113-C215 HydrophobicContact CE2-CB 3.92Å
114M96.2Very high94.5Very high0 Ų013.1 Ų13.10%08%0.081CC..Hα-helixtrans-71.5-47.5178.5177.1-16373.400110.2T111 C112 A116 A117 V118 P169 F172 L173 L176T111-M114 WeakPolarHBondContact O-CB 3.1Å; T111-M114 PolarHBondContact O-N 3.31Å; T111-M114 VanDerWaalsContact O-N 3.11Å; C112-M114 VanDerWaalsContact C-N 3.32Å; C112-M114 PolarHBondContact O-N 2.93Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 3.24Å; M114-A117 PolarHBondContact O-N 2.98Å; M114-V118 HydrophobicContact CG-CG2 4.19Å; M114-V118 WeakPolarHBondContact O-CB 3.47Å; M114-V118 VanDerWaalsContact O-CG2 3.27Å; M114-V118 WeakPolarHBondContact O-CG2 3.42Å; M114-V118 PolarHBondContact O-N 3.38Å; M114-P169 HydrophobicContact CE-CB 4.03Å; M114-P169 HydrophobicContact CE-CG 3.67Å; M114-F172 HydrophobicContact CE-CD1 4.33Å; M114-F172 HydrophobicContact CG-CD1 4.23Å; M114-F172 HydrophobicContact CG-CE1 3.69Å; M114-F172 HydrophobicContact SD-CD1 3.56Å; M114-F172 VanDerWaalsContact SD-CD1 3.56Å; M114-F172 HydrophobicContact SD-CE1 3.6Å; M114-L173 HydrophobicContact CE-CB 4.46Å; M114-L173 HydrophobicContact CE-CD1 4.16Å; M114-L173 HydrophobicContact SD-CB 4.29Å; M114-L173 HydrophobicContact SD-CD1 3.68Å; M114-L176 HydrophobicContact CB-CD2 4.47Å; M114-L176 HydrophobicContact CG-CD2 3.92Å; M114-L176 HydrophobicContact SD-CD2 3.78Å
115N97.1Very high94.4Very high2 Ų213.7 Ų13.71%0.0119%0.085CC..Hα-helixtrans-56.9-46.3-179.3-73.3-11.3000111L105 V106 T111 C112 V118 Q119 D467L105-N115 HydrophobicContact CB-CB 4.02Å; L105-N115 HydrophobicContact CD1-CB 4.12Å; L105-N115 PolarHBondContact O-ND2 3.1Å; V106-N115 PolarHBondContact O-ND2 2.84Å; T111-N115 PolarHBondContact O-N 3.47Å; C112-N115 PolarHBondContact O-N 3.12Å; N115-V118 PolarHBondContact O-N 2.79Å; N115-Q119 WeakPolarHBondContact O-CB 2.99Å; N115-Q119 VanDerWaalsContact O-CG 3.23Å; N115-Q119 WeakPolarHBondContact O-CG 3.06Å; N115-Q119 PolarHBondContact O-N 3.14Å; N115-D467 WeakPolarHBondContact CB-OD1 3.41Å; N115-D467 PolarHBondContact ND2-OD1 3.34Å
116A97.6Very high94.1Very high3 Ų314.6 Ų14.63%0.0259%0.089CC..Hα-helixtrans-65.2-42.9178.600000112.4C112 M114 Q119 L120 L440 A454C112-A116 WeakPolarHBondContact O-CB 3.16Å; C112-A116 PolarHBondContact O-N 2.88Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 3.24Å; A116-Q119 PolarHBondContact O-N 3.3Å; A116-L120 WeakPolarHBondContact O-CD1 3.21Å; A116-L120 PolarHBondContact O-N 2.74Å; A116-L120 VanDerWaalsContact O-N 3.11Å; A116-L440 HydrophobicContact CB-CD1 3.72Å; A116-L440 HydrophobicContact CB-CG 3.77Å; A116-A454 HydrophobicContact CB-CB 4.02Å
117A97.6Very high94Very high0 Ų013 Ų130%08%0.079CC..Hα-helixtrans-62.8-43.8176.700000112.2Y113 M114 L120 L121 W216 L219 L440Y113-A117 WeakPolarHBondContact O-CB 3.49Å; Y113-A117 PolarHBondContact O-N 3.11Å; M114-A117 PolarHBondContact O-N 2.98Å; A117-L120 PolarHBondContact O-N 2.51Å; A117-L121 WeakPolarHBondContact O-CG 3.04Å; A117-L121 PolarHBondContact O-N 2.98Å; A117-W216 HydrophobicContact CB-CE3 4.44Å; A117-L219 HydrophobicContact CB-CD1 4.41Å; A117-L440 HydrophobicContact CB-CD1 4.25Å
118V98Very high94Very high0 Ų013.6 Ų13.60%08%0.078CC..Hα-helixtrans-63.4-41.6177.2171.10000111.3L105 M114 N115 L120 L121 F122 L153 L156 F157 F172 L219L105-V118 HydrophobicContact CD1-CB 3.96Å; L105-V118 HydrophobicContact CD1-CG1 3.75Å; M114-V118 HydrophobicContact CG-CG2 4.19Å; M114-V118 WeakPolarHBondContact O-CB 3.47Å; M114-V118 VanDerWaalsContact O-CG2 3.27Å; M114-V118 WeakPolarHBondContact O-CG2 3.42Å; M114-V118 PolarHBondContact O-N 3.38Å; N115-V118 PolarHBondContact O-N 2.79Å; V118-L120 VanDerWaalsContact C-N 3.34Å; V118-L120 PolarHBondContact O-N 3.14Å; V118-L121 PolarHBondContact O-N 3.49Å; V118-F122 VanDerWaalsContact O-CB 3.32Å; V118-F122 WeakPolarHBondContact O-CB 3.28Å; V118-F122 PolarHBondContact O-N 2.74Å; V118-L153 HydrophobicContact CG1-CD1 4.33Å; V118-L153 HydrophobicContact CG2-CD1 4.43Å; V118-L156 HydrophobicContact CG1-CD2 3.75Å; V118-L156 HydrophobicContact CG1-CG 4.47Å; V118-F157 HydrophobicContact CG1-CE1 4.02Å; V118-F172 HydrophobicContact CG2-CD1 4.36Å; V118-F172 HydrophobicContact CG2-CE1 3.56Å; V118-F172 HydrophobicContact CG2-CZ 3.98Å; V118-L219 HydrophobicContact CG2-CD1 4.22Å
119Q97.4Very high94Very high8 Ų814.2 Ų14.24%0.0378%0.081CC..Hα-helixtrans-63.6-38.5177.2-71.8-70.914.400112.1P103 L105 N115 A116 F122 S123 A454 F465P103-Q119 PolarHBondContact O-NE2 3.13Å; L105-Q119 HydrophobicContact CD1-CG 4.14Å; N115-Q119 WeakPolarHBondContact O-CB 2.99Å; N115-Q119 VanDerWaalsContact O-CG 3.23Å; N115-Q119 WeakPolarHBondContact O-CG 3.06Å; N115-Q119 PolarHBondContact O-N 3.14Å; A116-Q119 PolarHBondContact O-N 3.3Å; Q119-F122 PolarHBondContact O-N 2.78Å; Q119-S123 PolarHBondContact O-N 2.88Å; Q119-A454 HydrophobicContact CB-CB 3.69Å; Q119-A454 HydrophobicContact CG-CB 4.48Å; Q119-F465 HydrophobicContact CG-CB 4.12Å; Q119-F465 HydrophobicContact CG-CD1 4.18Å; Q119-F465 HydrophobicContact CG-CG 4.21Å; Q119-F465 VanDerWaalsContact NE2-CD1 3.33Å
120L97.2Very high94.2Very high0 Ų012.3 Ų12.30%06%0.061CC..Hα-helixtrans-65.7-43.9172.2-94.670.8000112A116 A117 V118 F122 S123 W216 L440 A454 V456 L494A116-L120 WeakPolarHBondContact O-CD1 3.21Å; A116-L120 PolarHBondContact O-N 2.74Å; A116-L120 VanDerWaalsContact O-N 3.11Å; A117-L120 PolarHBondContact O-N 2.51Å; V118-L120 VanDerWaalsContact C-N 3.34Å; V118-L120 PolarHBondContact O-N 3.14Å; L120-F122 VanDerWaalsContact C-N 3.3Å; L120-F122 PolarHBondContact O-N 3.18Å; L120-S123 WeakPolarHBondContact O-CB 3.24Å; L120-S123 PolarHBondContact O-N 3.14Å; L120-S123 PolarHBondContact O-OG 3.24Å; L120-W216 HydrophobicContact CB-CH2 4.44Å; L120-W216 HydrophobicContact CB-CZ3 3.7Å; L120-W216 HydrophobicContact CD2-CZ3 4.36Å; L120-L440 HydrophobicContact CD1-CB 4.07Å; L120-L440 HydrophobicContact CD2-CB 3.8Å; L120-A454 HydrophobicContact CD1-CB 3.48Å; L120-A454 VanDerWaalsContact CD1-CB 3.48Å; L120-V456 HydrophobicContact CD1-CG2 4.36Å; L120-L494 HydrophobicContact CD2-CB 4.22Å
121L97Very high94.1Very high0 Ų09.5 Ų9.50%05%0.046CC..Hα-helixtrans-64-37.7177-71.2171.4000111.8A117 V118 S123 I124 L127 F157 W216 L219 I220 L223A117-L121 WeakPolarHBondContact O-CG 3.04Å; A117-L121 PolarHBondContact O-N 2.98Å; V118-L121 PolarHBondContact O-N 3.49Å; L121-S123 PolarHBondContact O-N 3.31Å; L121-I124 WeakPolarHBondContact O-CB 2.99Å; L121-I124 PolarHBondContact O-N 3.44Å; L121-L127 HydrophobicContact CB-CD2 4.23Å; L121-L127 HydrophobicContact CD2-CD2 3.87Å; L121-F157 HydrophobicContact CB-CZ 3.95Å; L121-W216 HydrophobicContact CD2-CE3 4.22Å; L121-W216 HydrophobicContact CD2-CH2 3.6Å; L121-W216 HydrophobicContact CD2-CZ2 4.21Å; L121-W216 HydrophobicContact CD2-CZ3 3.6Å; L121-W216 HydrophobicContact CG-CE3 4.12Å; L121-W216 HydrophobicContact CG-CH2 4.15Å; L121-W216 HydrophobicContact CG-CZ3 3.62Å; L121-L219 HydrophobicContact CD1-CB 3.81Å; L121-L219 HydrophobicContact CD1-CD1 3.67Å; L121-L219 HydrophobicContact CD1-CG 4.38Å; L121-I220 HydrophobicContact CD2-CD1 3.84Å; L121-L223 HydrophobicContact CD1-CD1 4.43Å; L121-L223 HydrophobicContact CD2-CD1 4.36Å
122F96.3Very high93.8Very high37 Ų3714 Ų1416%0.1627%0.067CC..Hα-helixtrans-64.6-26.1177.2-174.1-105.8000112.3V118 Q119 L120 I124 R128 F157 L160 S161V118-F122 VanDerWaalsContact O-CB 3.32Å; V118-F122 WeakPolarHBondContact O-CB 3.28Å; V118-F122 PolarHBondContact O-N 2.74Å; Q119-F122 PolarHBondContact O-N 2.78Å; L120-F122 VanDerWaalsContact C-N 3.3Å; L120-F122 PolarHBondContact O-N 3.18Å; F122-I124 PolarHBondContact O-N 2.91Å; F122-R128 HydrophobicContact CD2-CG 4.1Å; F122-R128 VanDerWaalsContact CE2-CD 3.45Å; F122-R128 HydrophobicContact CE2-CG 4.28Å; F122-R128 WeakPolarHBondContact O-CD 3.33Å; F122-R128 PolarHBondContact O-NE 2.81Å; F122-F157 HydrophobicContact CB-CD1 4.37Å; F122-F157 HydrophobicContact CB-CE1 3.84Å; F122-F157 HydrophobicContact CB-CZ 4.03Å; F122-F157 HydrophobicContact CD2-CB 4.1Å; F122-F157 AromaticContact CD2-CD1 3.64Å; F122-F157 HydrophobicContact CD2-CD1 3.64Å; F122-F157 HydrophobicContact CD2-CD2 4.09Å; F122-F157 AromaticContact CD2-CE1 3.96Å; F122-F157 HydrophobicContact CD2-CE1 3.96Å; F122-F157 HydrophobicContact CD2-CE2 4.39Å; F122-F157 AromaticContact CD2-CG 3.69Å; F122-F157 HydrophobicContact CD2-CG 3.69Å; F122-F157 HydrophobicContact CD2-CZ 4.33Å; F122-F157 HydrophobicContact CE2-CB 4.15Å; F122-F157 HydrophobicContact CE2-CD1 4.47Å; F122-F157 HydrophobicContact CE2-CG 4.25Å; F122-F157 WeakPolarHBondContact CE2-O 3.35Å; F122-F157 HydrophobicContact CG-CD1 4.46Å; F122-F157 HydrophobicContact CG-CE1 4.4Å; F122-L160 HydrophobicContact CD1-CD1 4.48Å; F122-L160 HydrophobicContact CD2-CB 4.27Å; F122-L160 HydrophobicContact CD2-CD1 4.04Å; F122-L160 HydrophobicContact CE1-CB 4.17Å; F122-L160 HydrophobicContact CE2-CB 3.76Å; F122-L160 HydrophobicContact CE2-CD1 4.38Å; F122-L160 HydrophobicContact CG-CD1 4.09Å; F122-L160 HydrophobicContact CZ-CB 3.7Å; F122-S161 WeakPolarHBondContact CE2-OG 3.09Å; F122-S161 WeakPolarHBondContact CZ-OG 3.47Å
123S94.8Very high93.3Very high22 Ų2215 Ų1515%0.1547%0.072CC..THydrogen-bonded Turntrans-68.6-8.6176.490.30000113.7Q119 L120 L121 P125Q119-S123 PolarHBondContact O-N 2.88Å; L120-S123 WeakPolarHBondContact O-CB 3.24Å; L120-S123 PolarHBondContact O-N 3.14Å; L120-S123 PolarHBondContact O-OG 3.24Å; L121-S123 PolarHBondContact O-N 3.31Å; S123-P125 VanDerWaalsContact O-CD 3.29Å; S123-P125 WeakPolarHBondContact O-CD 3.41Å
124I95.1Very high92.5Very high1 Ų115.1 Ų15.11%0.0057%0.073CC..  trans-96.4103.8-179.5-55.5175000109.5L121 F122 E126 L127 R128 L256 Y331 L494L121-I124 WeakPolarHBondContact O-CB 2.99Å; L121-I124 PolarHBondContact O-N 3.44Å; F122-I124 PolarHBondContact O-N 2.91Å; I124-E126 PolarHBondContact O-N 2.75Å; I124-L127 HydrophobicContact CB-CB 3.99Å; I124-L127 HydrophobicContact CG2-CB 3.8Å; I124-L127 PolarHBondContact O-N 3.24Å; I124-R128 PolarHBondContact O-N 2.73Å; I124-L256 HydrophobicContact CD1-CD1 4.22Å; I124-L256 HydrophobicContact CD1-CD2 4Å; I124-Y331 HydrophobicContact CG2-CD2 3.85Å; I124-Y331 HydrophobicContact CG2-CE1 4.48Å; I124-Y331 HydrophobicContact CG2-CE2 3.55Å; I124-Y331 HydrophobicContact CG2-CG 4.42Å; I124-L494 HydrophobicContact CD1-CD1 4.32Å; I124-L494 HydrophobicContact CD1-CD2 4.03Å; I124-L494 HydrophobicContact CG1-CD2 3.92Å
125P91.5Very high91.2Very high13 Ų1326 Ų268%0.08411%0.114CC..Hα-helixtrans-59.8-41.5-176.7-2435.4000114.6S123 L127 R128 I129 F411S123-P125 VanDerWaalsContact O-CD 3.29Å; S123-P125 WeakPolarHBondContact O-CD 3.41Å; P125-L127 VanDerWaalsContact C-N 3.27Å; P125-L127 PolarHBondContact O-N 2.73Å; P125-R128 VanDerWaalsContact CB-NH2 3.34Å; P125-R128 WeakPolarHBondContact O-CB 3.41Å; P125-R128 PolarHBondContact O-N 2.99Å; P125-R128 VanDerWaalsContact O-N 3.13Å; P125-I129 PolarHBondContact O-N 2.74Å; P125-I129 VanDerWaalsContact O-N 3.08Å; P125-F411 HydrophobicContact CB-CB 4.19Å; P125-F411 HydrophobicContact CB-CD1 3.7Å; P125-F411 HydrophobicContact CB-CD2 3.42Å; P125-F411 VanDerWaalsContact CB-CD2 3.42Å; P125-F411 HydrophobicContact CB-CE1 4.01Å; P125-F411 HydrophobicContact CB-CE2 3.75Å; P125-F411 HydrophobicContact CB-CG 3.43Å; P125-F411 VanDerWaalsContact CB-CG 3.43Å; P125-F411 HydrophobicContact CB-CZ 4.07Å; P125-F411 HydrophobicContact CG-CB 4.08Å; P125-F411 HydrophobicContact CG-CD1 4.42Å; P125-F411 HydrophobicContact CG-CD2 4.02Å; P125-F411 HydrophobicContact CG-CG 3.87Å
126E90.3Very high90Very high20 Ų2027.1 Ų27.19%0.09312%0.119CC..Hα-helixtrans-60.7-40.6-179.2-67.682.4177.100110.7I124 I129 A130 Y233 F255 Y331 F411I124-E126 PolarHBondContact O-N 2.75Å; E126-I129 PolarHBondContact O-N 2.68Å; E126-A130 VanDerWaalsContact O-CB 3.27Å; E126-A130 WeakPolarHBondContact O-CB 3.48Å; E126-A130 PolarHBondContact O-N 3.1Å; E126-Y233 VanDerWaalsContact CA-OH 3.27Å; E126-Y233 WeakPolarHBondContact CA-OH 3.43Å; E126-Y233 VanDerWaalsContact CB-OH 3.25Å; E126-Y233 WeakPolarHBondContact CB-OH 3.42Å; E126-Y233 PolarHBondContact O-OH 3.42Å; E126-Y233 VanDerWaalsContact O-OH 3.12Å; E126-F255 HydrophobicContact CB-CD1 4.33Å; E126-F255 HydrophobicContact CB-CD2 3.93Å; E126-F255 HydrophobicContact CB-CE1 4.29Å; E126-F255 HydrophobicContact CB-CE2 3.88Å; E126-F255 HydrophobicContact CB-CG 4.18Å; E126-F255 HydrophobicContact CB-CZ 4.07Å; E126-F255 HydrophobicContact CG-CD1 4.09Å; E126-F255 HydrophobicContact CG-CD2 4.49Å; E126-F255 HydrophobicContact CG-CE1 3.8Å; E126-F255 HydrophobicContact CG-CE2 4.22Å; E126-F255 HydrophobicContact CG-CG 4.44Å; E126-F255 HydrophobicContact CG-CZ 3.88Å; E126-Y331 VanDerWaalsContact CD-OH 3.28Å; E126-Y331 PolarHBondContact OE1-OH 2.87Å; E126-Y331 WeakPolarHBondContact OE2-CE2 3.48Å; E126-Y331 VanDerWaalsContact OE2-CZ 3.24Å; E126-Y331 PolarHBondContact OE2-OH 2.77Å; E126-F411 HydrophobicContact CG-CE2 4.36Å
127L91.4Very high88.4Confident4 Ų432 Ų322%0.02115%0.15CC..Hα-helixtrans-68.8-37.3177.4-172.762.7000111.9L121 I124 P125 A130 L131 L223 P251L121-L127 HydrophobicContact CB-CD2 4.23Å; L121-L127 HydrophobicContact CD2-CD2 3.87Å; I124-L127 HydrophobicContact CB-CB 3.99Å; I124-L127 HydrophobicContact CG2-CB 3.8Å; I124-L127 PolarHBondContact O-N 3.24Å; P125-L127 VanDerWaalsContact C-N 3.27Å; P125-L127 PolarHBondContact O-N 2.73Å; L127-A130 PolarHBondContact O-N 2.89Å; L127-L131 HydrophobicContact CG-CD1 4.48Å; L127-L131 PolarHBondContact O-N 3.32Å; L127-L223 HydrophobicContact CD1-CD1 4.04Å; L127-L223 HydrophobicContact CD1-CD2 4.08Å; L127-L223 HydrophobicContact CD2-CD1 3.75Å; L127-L223 HydrophobicContact CG-CD1 4.42Å; L127-P251 HydrophobicContact CD1-CB 4.42Å; L127-P251 HydrophobicContact CD1-CG 4.2Å
128R92Very high86.5Confident61 Ų6141.5 Ų41.523%0.2320%0.195CC..Hα-helixtrans-60.3-46.5175.3-68.5-173.3-74110.4-2.7111.3F122 I124 P125 Q132 F157F122-R128 HydrophobicContact CD2-CG 4.1Å; F122-R128 VanDerWaalsContact CE2-CD 3.45Å; F122-R128 HydrophobicContact CE2-CG 4.28Å; F122-R128 WeakPolarHBondContact O-CD 3.33Å; F122-R128 PolarHBondContact O-NE 2.81Å; I124-R128 PolarHBondContact O-N 2.73Å; P125-R128 VanDerWaalsContact CB-NH2 3.34Å; P125-R128 WeakPolarHBondContact O-CB 3.41Å; P125-R128 PolarHBondContact O-N 2.99Å; P125-R128 VanDerWaalsContact O-N 3.13Å; R128-Q132 WeakPolarHBondContact O-CG 3.47Å; R128-Q132 PolarHBondContact O-N 2.81Å; R128-Q132 VanDerWaalsContact O-N 3.16Å; R128-F157 HydrophobicContact CB-CD2 4.41Å; R128-F157 HydrophobicContact CG-CD2 3.8Å; R128-F157 HydrophobicContact CG-CE2 4Å
129I89Confident84.4Confident20 Ų2043.4 Ų43.410%0.10321%0.206CC..Hα-helixtrans-66.9-41.7177.8-66.6176.5000110.9P125 E126 L131 Q132 I133 Y233 T236 V237 F411P125-I129 PolarHBondContact O-N 2.74Å; P125-I129 VanDerWaalsContact O-N 3.08Å; E126-I129 PolarHBondContact O-N 2.68Å; I129-L131 VanDerWaalsContact C-N 3.32Å; I129-L131 PolarHBondContact O-N 3.02Å; I129-Q132 WeakPolarHBondContact O-CB 3.31Å; I129-Q132 PolarHBondContact O-N 2.87Å; I129-I133 HydrophobicContact CG2-CD1 3.78Å; I129-I133 HydrophobicContact CG2-CG1 4.47Å; I129-I133 WeakPolarHBondContact O-CG1 3.21Å; I129-I133 PolarHBondContact O-N 2.85Å; I129-I133 VanDerWaalsContact O-N 3.12Å; I129-Y233 HydrophobicContact CB-CE2 4.24Å; I129-Y233 HydrophobicContact CG2-CD2 4.3Å; I129-Y233 HydrophobicContact CG2-CE2 3.91Å; I129-T236 HydrophobicContact CG2-CG2 3.76Å; I129-V237 HydrophobicContact CD1-CG2 3.92Å; I129-V237 HydrophobicContact CG2-CG2 3.83Å; I129-F411 HydrophobicContact CD1-CE1 3.65Å; I129-F411 HydrophobicContact CD1-CE2 4.33Å; I129-F411 HydrophobicContact CD1-CZ 3.23Å; I129-F411 HydrophobicContact CG1-CZ 4.46Å
130A87.8Confident82.6Confident0 Ų045.8 Ų45.80%022%0.224CC..Hα-helixtrans-56.4-49.2178.900000110.7E126 L127 Q132 I133 C134 I228 Y233 P251E126-A130 VanDerWaalsContact O-CB 3.27Å; E126-A130 WeakPolarHBondContact O-CB 3.48Å; E126-A130 PolarHBondContact O-N 3.1Å; L127-A130 PolarHBondContact O-N 2.89Å; A130-Q132 VanDerWaalsContact C-N 3.29Å; A130-Q132 PolarHBondContact O-N 3.39Å; A130-I133 PolarHBondContact O-N 3.11Å; A130-I133 VanDerWaalsContact O-N 3.1Å; A130-C134 PolarHBondContact O-N 3.13Å; A130-C134 PolarHBondContact O-SG 3.27Å; A130-I228 HydrophobicContact CB-CD1 3.58Å; A130-I228 WeakPolarHBondContact O-CD1 3.47Å; A130-Y233 HydrophobicContact CB-CD2 4.17Å; A130-Y233 HydrophobicContact CB-CE2 3.68Å; A130-P251 HydrophobicContact CB-CB 3.58Å; A130-P251 HydrophobicContact CB-CG 3.69Å
131L88.3Confident80.7Confident3 Ų351.7 Ų51.72%0.01626%0.262CS..Hα-helixtrans-62-33.2176-77.1171.9000113.4L127 I129 I133 F136 C150 L153 K154 F157 L223L127-L131 HydrophobicContact CG-CD1 4.48Å; L127-L131 PolarHBondContact O-N 3.32Å; I129-L131 VanDerWaalsContact C-N 3.32Å; I129-L131 PolarHBondContact O-N 3.02Å; L131-I133 VanDerWaalsContact C-N 3.28Å; L131-I133 PolarHBondContact O-N 2.86Å; L131-F136 HydrophobicContact CD2-CZ 4.22Å; L131-C150 HydrophobicContact CD2-CB 4.28Å; L131-L153 HydrophobicContact CD1-CD2 3.98Å; L131-L153 HydrophobicContact CD1-CG 4.02Å; L131-K154 HydrophobicContact CB-CB 4.32Å; L131-K154 WeakPolarHBondContact O-CD 3.33Å; L131-K154 VanDerWaalsContact O-CE 3.28Å; L131-K154 WeakPolarHBondContact O-CE 3.5Å; L131-K154 WeakPolarHBondContact O-CG 3.38Å; L131-K154 PolarHBondContact O-NZ 3.12Å; L131-F157 HydrophobicContact CD1-CD2 3.56Å; L131-F157 HydrophobicContact CD1-CE2 3.54Å; L131-F157 HydrophobicContact CD1-CG 4.45Å; L131-F157 HydrophobicContact CD1-CZ 4.4Å; L131-L223 HydrophobicContact CD1-CD2 4.16Å; L131-L223 HydrophobicContact CD2-CD2 3.67Å; L131-L223 HydrophobicContact CG-CD2 4.13Å
132Q86.3Confident79.2Confident94 Ų9459 Ų5944%0.43930%0.301SS..Hα-helixtrans-63.9-36.2175-74.6178.2-16.300112.3R128 I129 A130 K154 N158R128-Q132 WeakPolarHBondContact O-CG 3.47Å; R128-Q132 PolarHBondContact O-N 2.81Å; R128-Q132 VanDerWaalsContact O-N 3.16Å; I129-Q132 WeakPolarHBondContact O-CB 3.31Å; I129-Q132 PolarHBondContact O-N 2.87Å; A130-Q132 VanDerWaalsContact C-N 3.29Å; A130-Q132 PolarHBondContact O-N 3.39Å; Q132-K154 WeakPolarHBondContact O-CE 3.49Å; Q132-K154 PolarHBondContact O-NZ 3.24Å; Q132-N158 PolarHBondContact NE2-OD1 3.14Å
133I82.6Confident78Confident26 Ų2660.1 Ų60.113%0.13331%0.314CS..Hα-helixtrans-84.3-30.8-178.1-61.7171000112I129 A130 L131 R135 I228 V232 Y233 T236I129-I133 HydrophobicContact CG2-CD1 3.78Å; I129-I133 HydrophobicContact CG2-CG1 4.47Å; I129-I133 WeakPolarHBondContact O-CG1 3.21Å; I129-I133 PolarHBondContact O-N 2.85Å; I129-I133 VanDerWaalsContact O-N 3.12Å; A130-I133 PolarHBondContact O-N 3.11Å; A130-I133 VanDerWaalsContact O-N 3.1Å; L131-I133 VanDerWaalsContact C-N 3.28Å; L131-I133 PolarHBondContact O-N 2.86Å; I133-R135 PolarHBondContact O-N 2.82Å; I133-R135 VanDerWaalsContact O-N 3.16Å; I133-I228 HydrophobicContact CB-CG2 4.37Å; I133-I228 HydrophobicContact CG2-CG2 3.91Å; I133-V232 HydrophobicContact CD1-CG1 4.37Å; I133-V232 HydrophobicContact CG1-CG1 4.35Å; I133-V232 HydrophobicContact CG2-CB 3.79Å; I133-V232 HydrophobicContact CG2-CG1 3.48Å; I133-V232 VanDerWaalsContact CG2-CG1 3.48Å; I133-Y233 HydrophobicContact CD1-CD2 3.88Å; I133-Y233 HydrophobicContact CD1-CG 4.34Å; I133-T236 HydrophobicContact CD1-CG2 4.15Å; I133-T236 WeakPolarHBondContact CD1-OG1 3.13Å
134C78Confident77Confident3 Ų361.3 Ų61.32%0.0232%0.321CS..  trans-46.7123.9175.1-75.10000111.1A130 F136 K154 I228A130-C134 PolarHBondContact O-N 3.13Å; A130-C134 PolarHBondContact O-SG 3.27Å; C134-F136 HydrophobicContact CB-CD2 4.43Å; C134-F136 HydrophobicContact CB-CE1 3.88Å; C134-F136 HydrophobicContact CB-CE2 3.64Å; C134-F136 HydrophobicContact CB-CZ 3.32Å; C134-K154 PolarHBondContact O-NZ 3.47Å; C134-I228 WeakPolarHBondContact SG-CD1 3.44Å; C134-I228 WeakPolarHBondContact SG-CG1 3.39Å
135R70.7Confident76.5Confident228 Ų22864.8 Ų64.886%0.8634%0.339SS*.  trans-101.2115.4165.1-65.5-174.4-177170.52.2107.4I133I133-R135 PolarHBondContact O-N 2.82Å; I133-R135 VanDerWaalsContact O-N 3.16Å
136F70.6Confident76.3Confident27 Ų2765.9 Ų65.912%0.11835%0.345CS..  trans-87.5134.6173.7-55.5-72.4000107.8L131 C134 Q138 G147 C150 E151 K154L131-F136 HydrophobicContact CD2-CZ 4.22Å; C134-F136 HydrophobicContact CB-CD2 4.43Å; C134-F136 HydrophobicContact CB-CE1 3.88Å; C134-F136 HydrophobicContact CB-CE2 3.64Å; C134-F136 HydrophobicContact CB-CZ 3.32Å; F136-Q138 PolarHBondContact O-N 2.96Å; F136-G147 WeakPolarHBondContact CD1-O 3.33Å; F136-C150 HydrophobicContact CD1-CB 4.24Å; F136-C150 HydrophobicContact CE1-CB 3.28Å; F136-C150 HydrophobicContact CE2-CB 4.44Å; F136-C150 HydrophobicContact CZ-CB 3.4Å; F136-E151 HydrophobicContact CB-CB 4.3Å; F136-E151 HydrophobicContact CD2-CB 3.43Å; F136-E151 VanDerWaalsContact CD2-CB 3.43Å; F136-E151 HydrophobicContact CD2-CG 3.74Å; F136-E151 VanDerWaalsContact CE2-CA 3.47Å; F136-E151 HydrophobicContact CE2-CB 3.88Å; F136-E151 HydrophobicContact CE2-CG 4.35Å; F136-E151 HydrophobicContact CG-CB 3.87Å; F136-E151 HydrophobicContact CG-CG 4.44Å; F136-K154 HydrophobicContact CE2-CB 4.49Å; F136-K154 HydrophobicContact CE2-CD 4.14Å
137P63.8Low76.1Confident104 Ų10465.6 Ų65.668%0.67535%0.347SS*.  trans-53.2141.5168.5-16.928.6000108T139P137-T139 PolarHBondContact O-N 3.35Å
138Q57.8Low75.9Confident201 Ų20166 Ų6694%0.93935%0.35SS*.  trans-54.5111.8175-71.2-154.4-7.400108.4F136F136-Q138 PolarHBondContact O-N 2.96Å
139T55.3Low75.8Confident39 Ų3963.1 Ų63.124%0.23934%0.339CS..  trans-81.9129.5179.846.20000107.5P137P137-T139 PolarHBondContact O-N 3.35Å
140S57.6Low75.9Confident59 Ų5962.2 Ų62.241%0.41334%0.335SS..  trans-60.5131.3167.1360000108D142 S143S140-D142 PolarHBondContact O-N 3.43Å; S140-S143 PolarHBondContact O-N 2.71Å; S140-S143 VanDerWaalsContact O-N 3.1Å; S140-S143 PolarHBondContact OG-OG 3.26Å
141P59.2Low76Confident123 Ų12365 Ų6580%0.79935%0.348SS*.THydrogen-bonded Turntrans-57-21.3178.520.5-30.6000112.7
142D65.1Low76.1Confident154 Ų15465.2 Ų65.282%0.82435%0.349SS*.THydrogen-bonded Turntrans-81-12.8-178.2-58.1-36.5000114.6S140S140-D142 PolarHBondContact O-N 3.43Å
143S70.2Confident76.5Confident60 Ų6060.9 Ų60.942%0.4233%0.329SS..SBendtrans-138.674.5-177.967.30000111.9S140 N145S140-S143 PolarHBondContact O-N 2.71Å; S140-S143 VanDerWaalsContact O-N 3.1Å; S140-S143 PolarHBondContact OG-OG 3.26Å; S143-N145 PolarHBondContact O-N 2.99Å
144P73.3Confident77Confident48 Ų4861.7 Ų61.731%0.31233%0.332SS..  trans-61.6135.9176.522.8-28.3000110.1S148 S178 V179P144-S148 WeakPolarHBondContact CA-OG 3.46Å; P144-S178 WeakPolarHBondContact CG-OG 3.4Å; P144-V179 HydrophobicContact CB-CG2 4Å
145N84.9Confident77.6Confident73 Ų7366.4 Ų66.439%0.3935%0.352SS..  trans-134.8177.7-179.263.139.5000110.1S143 G147 S148 L149 V179S143-N145 PolarHBondContact O-N 2.99Å; N145-G147 PolarHBondContact O-N 3.36Å; N145-G147 VanDerWaalsContact O-N 3.11Å; N145-G147 VanDerWaalsContact OD1-CA 3.29Å; N145-G147 WeakPolarHBondContact OD1-CA 3.28Å; N145-G147 PolarHBondContact OD1-N 3.4Å; N145-S148 PolarHBondContact N-OG 3.36Å; N145-S148 PolarHBondContact O-N 3.39Å; N145-S148 PolarHBondContact O-OG 3.35Å; N145-S148 PolarHBondContact OD1-N 3.11Å; N145-S148 VanDerWaalsContact OD1-N 3.07Å; N145-L149 PolarHBondContact O-N 3.31Å; N145-L149 VanDerWaalsContact O-N 3.14Å; N145-V179 WeakPolarHBondContact O-CG2 3.48Å
146L87.1Confident78.7Confident37 Ų3756 Ų5619%0.19431%0.313CS..Hα-helixtrans-56.4-29.7179.6-62.1171.9000113.4L149 C150 V179 A222 S225L146-L149 PolarHBondContact O-N 2.73Å; L146-C150 PolarHBondContact O-N 2.97Å; L146-C150 PolarHBondContact O-SG 3.32Å; L146-V179 HydrophobicContact CD2-CG1 3.67Å; L146-V179 HydrophobicContact CG-CG1 4.38Å; L146-A222 HydrophobicContact CB-CB 4.24Å; L146-A222 HydrophobicContact CD2-CB 3.79Å; L146-S225 VanDerWaalsContact CB-OG 3.26Å; L146-S225 WeakPolarHBondContact CB-OG 3.42Å
147G86.3Confident79.9Confident13 Ų1355 Ų5513%0.13431%0.309CS..Hα-helixtrans-65.7-46.2174.300000112.5F136 N145 L149 C150 E151F136-G147 WeakPolarHBondContact CD1-O 3.33Å; N145-G147 PolarHBondContact O-N 3.36Å; N145-G147 VanDerWaalsContact O-N 3.11Å; N145-G147 VanDerWaalsContact OD1-CA 3.29Å; N145-G147 WeakPolarHBondContact OD1-CA 3.28Å; N145-G147 PolarHBondContact OD1-N 3.4Å; G147-L149 VanDerWaalsContact C-N 3.25Å; G147-L149 PolarHBondContact O-N 3.14Å; G147-C150 PolarHBondContact O-N 2.84Å; G147-E151 PolarHBondContact O-N 3.18Å
148S87.1Confident81.2Confident13 Ų1351.7 Ų51.79%0.09129%0.286CS..Hα-helixtrans-62-33.5174.3610000112.6P144 N145 E151 S152P144-S148 WeakPolarHBondContact CA-OG 3.46Å; N145-S148 PolarHBondContact N-OG 3.36Å; N145-S148 PolarHBondContact O-N 3.39Å; N145-S148 PolarHBondContact O-OG 3.35Å; N145-S148 PolarHBondContact OD1-N 3.11Å; N145-S148 VanDerWaalsContact OD1-N 3.07Å; S148-E151 PolarHBondContact O-N 3.09Å; S148-S152 PolarHBondContact O-N 3.5Å; S148-S152 PolarHBondContact O-OG 3.25Å
149L91.1Very high82.8Confident1 Ų144.7 Ų44.71%0.00526%0.259CS..Hα-helixtrans-65.1-46.1174.7-176.958.4000110.9N145 L146 G147 E151 S152 L153 F172 C175 L176 V179 L219 A222N145-L149 PolarHBondContact O-N 3.31Å; N145-L149 VanDerWaalsContact O-N 3.14Å; L146-L149 PolarHBondContact O-N 2.73Å; G147-L149 VanDerWaalsContact C-N 3.25Å; G147-L149 PolarHBondContact O-N 3.14Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 2.83Å; L149-S152 PolarHBondContact O-N 3.46Å; L149-S152 PolarHBondContact O-OG 2.86Å; L149-L153 WeakPolarHBondContact O-CB 3.4Å; L149-L153 PolarHBondContact O-N 2.95Å; L149-F172 HydrophobicContact CD1-CD2 4.03Å; L149-F172 HydrophobicContact CD1-CE2 3.56Å; L149-F172 HydrophobicContact CD1-CZ 4.23Å; L149-F172 HydrophobicContact CG-CE2 4.35Å; L149-C175 WeakPolarHBondContact CA-SG 3.31Å; L149-C175 HydrophobicContact CD1-CB 4.29Å; L149-C175 PolarHBondContact N-SG 3.12Å; L149-C175 VanDerWaalsContact N-SG 3.41Å; L149-L176 HydrophobicContact CD1-CB 4.04Å; L149-L176 HydrophobicContact CD1-CD1 4.31Å; L149-L176 HydrophobicContact CD2-CD1 4.16Å; L149-V179 HydrophobicContact CB-CG2 4.3Å; L149-V179 HydrophobicContact CD2-CB 4.46Å; L149-V179 HydrophobicContact CD2-CG1 4.29Å; L149-L219 HydrophobicContact CD2-CD2 4.21Å; L149-A222 HydrophobicContact CD2-CB 3.89Å; L149-A222 HydrophobicContact CG-CB 4.45Å
150C91.1Very high84.6Confident1 Ų143 Ų431%0.00725%0.248CC..Hα-helixtrans-65.1-34.6175.8-64.90000112.7L131 F136 L146 G147 L153 K154 A222 S226L131-C150 HydrophobicContact CD2-CB 4.28Å; F136-C150 HydrophobicContact CD1-CB 4.24Å; F136-C150 HydrophobicContact CE1-CB 3.28Å; F136-C150 HydrophobicContact CE2-CB 4.44Å; F136-C150 HydrophobicContact CZ-CB 3.4Å; L146-C150 PolarHBondContact O-N 2.97Å; L146-C150 PolarHBondContact O-SG 3.32Å; G147-C150 PolarHBondContact O-N 2.84Å; C150-L153 PolarHBondContact O-N 2.96Å; C150-K154 WeakPolarHBondContact O-CB 3.36Å; C150-K154 PolarHBondContact O-N 2.72Å; C150-A222 PolarHBondContact SG-O 3.09Å; C150-S226 PolarHBondContact SG-OG 3.36Å
151E89.3Confident86.2Confident59 Ų5943 Ų4328%0.27625%0.248SC..Hα-helixtrans-65.2-45.2173.7-170.2170.1-156.300111.8F136 G147 S148 L149 L153 K154 F155F136-E151 HydrophobicContact CB-CB 4.3Å; F136-E151 HydrophobicContact CD2-CB 3.43Å; F136-E151 VanDerWaalsContact CD2-CB 3.43Å; F136-E151 HydrophobicContact CD2-CG 3.74Å; F136-E151 VanDerWaalsContact CE2-CA 3.47Å; F136-E151 HydrophobicContact CE2-CB 3.88Å; F136-E151 HydrophobicContact CE2-CG 4.35Å; F136-E151 HydrophobicContact CG-CB 3.87Å; F136-E151 HydrophobicContact CG-CG 4.44Å; G147-E151 PolarHBondContact O-N 3.18Å; S148-E151 PolarHBondContact O-N 3.09Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 2.83Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.2Å; E151-K154 WeakPolarHBondContact O-CB 3.49Å; E151-K154 PolarHBondContact O-N 2.73Å; E151-F155 HydrophobicContact CG-CD2 4.2Å; E151-F155 HydrophobicContact CG-CE2 3.65Å; E151-F155 HydrophobicContact CG-CZ 4.39Å; E151-F155 WeakPolarHBondContact O-CD2 3.06Å; E151-F155 PolarHBondContact O-N 2.93Å
152S91.5Very high87.5Confident7 Ų745.5 Ų45.55%0.04925%0.247CC..Hα-helixtrans-64-35.8174.671.50000112.3S148 L149 F155 L156 F172S148-S152 PolarHBondContact O-N 3.5Å; S148-S152 PolarHBondContact O-OG 3.25Å; L149-S152 PolarHBondContact O-N 3.46Å; L149-S152 PolarHBondContact O-OG 2.86Å; S152-F155 PolarHBondContact O-N 3.14Å; S152-L156 PolarHBondContact O-N 3Å; S152-F172 WeakPolarHBondContact OG-CD2 3.32Å
153L94.5Very high88.5Confident3 Ų340.3 Ų40.32%0.01622%0.22CC..Hα-helixtrans-65-41.8173.1-172.858.8000111.8V118 L131 L149 C150 E151 F155 L156 F157 F172 L223V118-L153 HydrophobicContact CG1-CD1 4.33Å; V118-L153 HydrophobicContact CG2-CD1 4.43Å; L131-L153 HydrophobicContact CD1-CD2 3.98Å; L131-L153 HydrophobicContact CD1-CG 4.02Å; L149-L153 WeakPolarHBondContact O-CB 3.4Å; L149-L153 PolarHBondContact O-N 2.95Å; C150-L153 PolarHBondContact O-N 2.96Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 3.2Å; L153-F155 VanDerWaalsContact C-N 3.34Å; L153-F155 PolarHBondContact O-N 3.29Å; L153-L156 WeakPolarHBondContact O-CB 3.37Å; L153-L156 PolarHBondContact O-N 2.87Å; L153-F157 HydrophobicContact CD1-CD1 3.88Å; L153-F157 HydrophobicContact CD1-CE1 3.49Å; L153-F157 VanDerWaalsContact CD1-CE1 3.49Å; L153-F157 HydrophobicContact CD1-CZ 4.03Å; L153-F157 HydrophobicContact CD2-CZ 4.45Å; L153-F157 HydrophobicContact CG-CD1 4.29Å; L153-F157 HydrophobicContact CG-CE1 4.04Å; L153-F157 HydrophobicContact CG-CZ 4.2Å; L153-F157 WeakPolarHBondContact O-CB 3.25Å; L153-F157 PolarHBondContact O-N 3.27Å; L153-F172 HydrophobicContact CB-CD2 4.11Å; L153-F172 HydrophobicContact CB-CE2 3.78Å; L153-F172 HydrophobicContact CD1-CD2 4.3Å; L153-F172 HydrophobicContact CD1-CE2 3.77Å; L153-F172 HydrophobicContact CD1-CZ 3.99Å; L153-F172 HydrophobicContact CG-CE2 4.27Å; L153-L223 HydrophobicContact CD2-CD1 4.48Å; L153-L223 HydrophobicContact CD2-CD2 4.1Å; L153-L223 HydrophobicContact CD2-CG 4.49Å
154K91.7Very high89.2Confident43 Ų4343.5 Ų43.519%0.18723%0.229CC..Hα-helixtrans-56.9-45.8172.9174.1-171.3-171.4151.70111.4L131 Q132 C134 F136 C150 E151 L156 F157 N158L131-K154 HydrophobicContact CB-CB 4.32Å; L131-K154 WeakPolarHBondContact O-CD 3.33Å; L131-K154 VanDerWaalsContact O-CE 3.28Å; L131-K154 WeakPolarHBondContact O-CE 3.5Å; L131-K154 WeakPolarHBondContact O-CG 3.38Å; L131-K154 PolarHBondContact O-NZ 3.12Å; Q132-K154 WeakPolarHBondContact O-CE 3.49Å; Q132-K154 PolarHBondContact O-NZ 3.24Å; C134-K154 PolarHBondContact O-NZ 3.47Å; F136-K154 HydrophobicContact CE2-CB 4.49Å; F136-K154 HydrophobicContact CE2-CD 4.14Å; C150-K154 WeakPolarHBondContact O-CB 3.36Å; C150-K154 PolarHBondContact O-N 2.72Å; E151-K154 WeakPolarHBondContact O-CB 3.49Å; E151-K154 PolarHBondContact O-N 2.73Å; K154-L156 VanDerWaalsContact C-N 3.34Å; K154-F157 PolarHBondContact O-N 3.48Å; K154-N158 WeakPolarHBondContact O-CB 3.33Å; K154-N158 VanDerWaalsContact O-CG 3.26Å; K154-N158 PolarHBondContact O-N 2.79Å; K154-N158 PolarHBondContact O-ND2 3.25Å
155F91.3Very high89.9Confident101 Ų10148.8 Ų48.844%0.44325%0.247SC..Hα-helixtrans-63.4-39.6176.3-71.2-57.2000112.5E151 S152 L153 N158 S159 L171E151-F155 HydrophobicContact CG-CD2 4.2Å; E151-F155 HydrophobicContact CG-CE2 3.65Å; E151-F155 HydrophobicContact CG-CZ 4.39Å; E151-F155 WeakPolarHBondContact O-CD2 3.06Å; E151-F155 PolarHBondContact O-N 2.93Å; S152-F155 PolarHBondContact O-N 3.14Å; L153-F155 VanDerWaalsContact C-N 3.34Å; L153-F155 PolarHBondContact O-N 3.29Å; F155-N158 PolarHBondContact O-N 2.95Å; F155-S159 PolarHBondContact O-N 3.48Å; F155-S159 PolarHBondContact O-OG 2.9Å; F155-L171 HydrophobicContact CD2-CD2 4.42Å
156L94Very high90.3Very high9 Ų948.3 Ų48.35%0.04725%0.248CC..Hα-helixtrans-63.2-47175.9-175.655.8000111.6L105 V118 S152 L153 K154 N158 S159 L160 V167 P169 F172L105-L156 HydrophobicContact CD2-CD1 3.83Å; L105-L156 HydrophobicContact CD2-CD2 4.49Å; L105-L156 HydrophobicContact CD2-CG 4.47Å; V118-L156 HydrophobicContact CG1-CD2 3.75Å; V118-L156 HydrophobicContact CG1-CG 4.47Å; S152-L156 PolarHBondContact O-N 3Å; L153-L156 WeakPolarHBondContact O-CB 3.37Å; L153-L156 PolarHBondContact O-N 2.87Å; K154-L156 VanDerWaalsContact C-N 3.34Å; L156-N158 VanDerWaalsContact C-N 3.35Å; L156-N158 PolarHBondContact O-N 3.01Å; L156-S159 WeakPolarHBondContact O-CB 3.25Å; L156-S159 PolarHBondContact O-N 3.26Å; L156-S159 VanDerWaalsContact O-N 3.1Å; L156-L160 HydrophobicContact CG-CD1 4.4Å; L156-L160 PolarHBondContact O-N 2.83Å; L156-V167 HydrophobicContact CD1-CG1 3.64Å; L156-P169 HydrophobicContact CD1-CB 3.96Å; L156-P169 HydrophobicContact CD2-CB 3.92Å; L156-F172 HydrophobicContact CD2-CB 3.97Å; L156-F172 HydrophobicContact CD2-CD1 3.89Å; L156-F172 HydrophobicContact CD2-CG 3.88Å
157F95Very high90.5Very high6 Ų647.4 Ų47.43%0.02624%0.244CC..Hα-helixtrans-62.4-40.2177.2-8014.3000112.6V118 L121 F122 R128 L131 L153 K154 S159 L160 S161V118-F157 HydrophobicContact CG1-CE1 4.02Å; L121-F157 HydrophobicContact CB-CZ 3.95Å; F122-F157 HydrophobicContact CB-CD1 4.37Å; F122-F157 HydrophobicContact CB-CE1 3.84Å; F122-F157 HydrophobicContact CB-CZ 4.03Å; F122-F157 HydrophobicContact CD2-CB 4.1Å; F122-F157 AromaticContact CD2-CD1 3.64Å; F122-F157 HydrophobicContact CD2-CD1 3.64Å; F122-F157 HydrophobicContact CD2-CD2 4.09Å; F122-F157 AromaticContact CD2-CE1 3.96Å; F122-F157 HydrophobicContact CD2-CE1 3.96Å; F122-F157 HydrophobicContact CD2-CE2 4.39Å; F122-F157 AromaticContact CD2-CG 3.69Å; F122-F157 HydrophobicContact CD2-CG 3.69Å; F122-F157 HydrophobicContact CD2-CZ 4.33Å; F122-F157 HydrophobicContact CE2-CB 4.15Å; F122-F157 HydrophobicContact CE2-CD1 4.47Å; F122-F157 HydrophobicContact CE2-CG 4.25Å; F122-F157 WeakPolarHBondContact CE2-O 3.35Å; F122-F157 HydrophobicContact CG-CD1 4.46Å; F122-F157 HydrophobicContact CG-CE1 4.4Å; R128-F157 HydrophobicContact CB-CD2 4.41Å; R128-F157 HydrophobicContact CG-CD2 3.8Å; R128-F157 HydrophobicContact CG-CE2 4Å; L131-F157 HydrophobicContact CD1-CD2 3.56Å; L131-F157 HydrophobicContact CD1-CE2 3.54Å; L131-F157 HydrophobicContact CD1-CG 4.45Å; L131-F157 HydrophobicContact CD1-CZ 4.4Å; L153-F157 HydrophobicContact CD1-CD1 3.88Å; L153-F157 HydrophobicContact CD1-CE1 3.49Å; L153-F157 VanDerWaalsContact CD1-CE1 3.49Å; L153-F157 HydrophobicContact CD1-CZ 4.03Å; L153-F157 HydrophobicContact CD2-CZ 4.45Å; L153-F157 HydrophobicContact CG-CD1 4.29Å; L153-F157 HydrophobicContact CG-CE1 4.04Å; L153-F157 HydrophobicContact CG-CZ 4.2Å; L153-F157 WeakPolarHBondContact O-CB 3.25Å; L153-F157 PolarHBondContact O-N 3.27Å; K154-F157 PolarHBondContact O-N 3.48Å; F157-S159 VanDerWaalsContact C-N 3.28Å; F157-S159 PolarHBondContact O-N 3.22Å; F157-L160 PolarHBondContact O-N 3.38Å; F157-S161 WeakPolarHBondContact O-CB 3.44Å; F157-S161 PolarHBondContact O-N 2.92Å; F157-S161 PolarHBondContact O-OG 3.36Å
158N91.8Very high90.9Very high35 Ų3550.1 Ų50.119%0.18726%0.258CS..Hα-helixtrans-63.2-37174.1-76.2-25.8000111.9Q132 K154 F155 L156 K162Q132-N158 PolarHBondContact NE2-OD1 3.14Å; K154-N158 WeakPolarHBondContact O-CB 3.33Å; K154-N158 VanDerWaalsContact O-CG 3.26Å; K154-N158 PolarHBondContact O-N 2.79Å; K154-N158 PolarHBondContact O-ND2 3.25Å; F155-N158 PolarHBondContact O-N 2.95Å; L156-N158 VanDerWaalsContact C-N 3.35Å; L156-N158 PolarHBondContact O-N 3.01Å; N158-K162 VanDerWaalsContact O-CG 3.29Å; N158-K162 WeakPolarHBondContact O-CG 3.05Å; N158-K162 PolarHBondContact O-N 3.41Å
159S92Very high91.1Very high54 Ų5449.6 Ų49.638%0.37825%0.254SS..Hα-helixtrans-66.6-51.8176.2-57.20000110.4F155 L156 F157 S161 K162 T163F155-S159 PolarHBondContact O-N 3.48Å; F155-S159 PolarHBondContact O-OG 2.9Å; L156-S159 WeakPolarHBondContact O-CB 3.25Å; L156-S159 PolarHBondContact O-N 3.26Å; L156-S159 VanDerWaalsContact O-N 3.1Å; F157-S159 VanDerWaalsContact C-N 3.28Å; F157-S159 PolarHBondContact O-N 3.22Å; S159-S161 PolarHBondContact O-N 2.98Å; S159-K162 PolarHBondContact O-N 3.25Å; S159-T163 WeakPolarHBondContact O-CG2 3.37Å; S159-T163 PolarHBondContact O-N 3.26Å
160L93.2Very high91.1Very high4 Ų452 Ų522%0.02127%0.267CS..Hα-helixtrans-57.5-33177.1-73.3170.9000113.2P103 L105 F122 L156 F157 K162 V167P103-L160 HydrophobicContact CB-CD2 4.24Å; P103-L160 HydrophobicContact CG-CB 4.43Å; P103-L160 HydrophobicContact CG-CD2 3.88Å; P103-L160 WeakPolarHBondContact CG-O 3.35Å; L105-L160 HydrophobicContact CD2-CD1 4.28Å; L105-L160 HydrophobicContact CD2-CD2 3.9Å; L105-L160 HydrophobicContact CD2-CG 4.37Å; L105-L160 HydrophobicContact CG-CD2 4.37Å; F122-L160 HydrophobicContact CD1-CD1 4.48Å; F122-L160 HydrophobicContact CD2-CB 4.27Å; F122-L160 HydrophobicContact CD2-CD1 4.04Å; F122-L160 HydrophobicContact CE1-CB 4.17Å; F122-L160 HydrophobicContact CE2-CB 3.76Å; F122-L160 HydrophobicContact CE2-CD1 4.38Å; F122-L160 HydrophobicContact CG-CD1 4.09Å; F122-L160 HydrophobicContact CZ-CB 3.7Å; L156-L160 HydrophobicContact CG-CD1 4.4Å; L156-L160 PolarHBondContact O-N 2.83Å; F157-L160 PolarHBondContact O-N 3.38Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-V167 HydrophobicContact CD2-CB 4.14Å; L160-V167 HydrophobicContact CD2-CG2 3.89Å; L160-V167 HydrophobicContact CG-CG2 4.37Å
161S89.9Confident91Very high59 Ų5957.3 Ų57.341%0.41329%0.294SS..Hα-helixtrans-76.2-19.3179.5-55.80000113.8F122 F157 S159F122-S161 WeakPolarHBondContact CE2-OG 3.09Å; F122-S161 WeakPolarHBondContact CZ-OG 3.47Å; F157-S161 WeakPolarHBondContact O-CB 3.44Å; F157-S161 PolarHBondContact O-N 2.92Å; F157-S161 PolarHBondContact O-OG 3.36Å; S159-S161 PolarHBondContact O-N 2.98Å
162K87.4Confident91.2Very high176 Ų17654.6 Ų54.677%0.76528%0.282SS*.Hα-helixtrans-111.7-6.5-170.2-69.5178.3-178.2-178.30114.3N158 S159 L160N158-K162 VanDerWaalsContact O-CG 3.29Å; N158-K162 WeakPolarHBondContact O-CG 3.05Å; N158-K162 PolarHBondContact O-N 3.41Å; S159-K162 PolarHBondContact O-N 3.25Å; L160-K162 VanDerWaalsContact C-N 3.33Å
163T86.2Confident91.2Very high44 Ų4454.4 Ų54.427%0.2728%0.28SS..  trans-121.7148-173.7-175.10000110.9P103 S159 K165 V167P103-T163 HydrophobicContact CB-CG2 4Å; P103-T163 HydrophobicContact CG-CG2 4.09Å; P103-T163 VanDerWaalsContact CG-O 3.31Å; P103-T163 WeakPolarHBondContact CG-O 3.47Å; S159-T163 WeakPolarHBondContact O-CG2 3.37Å; S159-T163 PolarHBondContact O-N 3.26Å; T163-K165 WeakPolarHBondContact CG2-O 3.44Å; T163-K165 PolarHBondContact OG1-N 2.99Å; T163-K165 PolarHBondContact OG1-O 3.44Å; T163-K165 VanDerWaalsContact OG1-O 3.13Å; T163-V167 HydrophobicContact CG2-CG2 3.33Å
164E85Confident91Very high127 Ų12758.1 Ų58.159%0.59330%0.303SS*.SBendtrans-97.1-15.9166.7-62.1178.1171.100110.9K100K100-E164 WeakPolarHBondContact CD-OE1 3.3Å; K100-E164 IonicContact NZ-OE1 3.05Å; K100-E164 PolarHBondContact NZ-OE1 3.11Å
165K88.6Confident90.9Very high160 Ų16056.9 Ų56.970%0.69630%0.299SS*.SBendtrans-87151-179.7-63.4-176.7-179.4-179.30111.5P103 T163 V167P103-K165 WeakPolarHBondContact CB-O 3.16Å; T163-K165 WeakPolarHBondContact CG2-O 3.44Å; T163-K165 PolarHBondContact OG1-N 2.99Å; T163-K165 PolarHBondContact OG1-O 3.44Å; T163-K165 VanDerWaalsContact OG1-O 3.13Å; K165-V167 PolarHBondContact O-N 3Å
166P91.8Very high91Very high63 Ų6352 Ų5241%0.40928%0.278SS..PPolyproline II helixtrans-51.4136.5173.7-2835.5000113.1G104 V106 D468G104-P166 WeakPolarHBondContact O-CA 3.48Å; V106-P166 HydrophobicContact CG2-CB 3.88Å; P166-D468 HydrophobicContact CB-CB 3.65Å; P166-D468 HydrophobicContact CG-CB 3.88Å
167V92.3Very high90.9Very high18 Ų1852.7 Ų52.711%0.10928%0.281CS..BIsolated β-bridgetrans-98135.9179.9179.60000109.5G104 L105 V106 L156 L160 T163 K165 P169G104-V167 PolarHBondContact O-N 2.78Å; L105-V167 CarbonylContact C-O 3.52Å; L105-V167 WeakPolarHBondContact CA-O 3.35Å; L105-V167 HydrophobicContact CD2-CB 4.1Å; L105-V167 HydrophobicContact CD2-CG1 4.49Å; V106-V167 PolarHBondContact N-O 3.06Å; L156-V167 HydrophobicContact CD1-CG1 3.64Å; L160-V167 HydrophobicContact CD2-CB 4.14Å; L160-V167 HydrophobicContact CD2-CG2 3.89Å; L160-V167 HydrophobicContact CG-CG2 4.37Å; T163-V167 HydrophobicContact CG2-CG2 3.33Å; K165-V167 PolarHBondContact O-N 3Å; V167-P169 VanDerWaalsContact O-CD 3.32Å; V167-P169 WeakPolarHBondContact O-CD 3.29Å
168T93.8Very high90.6Very high70 Ų7055.5 Ų55.543%0.42930%0.301SS..  trans-92.4109.7174.7-60.20000110.3V106 L108 L170V106-T168 WeakPolarHBondContact CG2-OG1 3.46Å; L108-T168 HydrophobicContact CD1-CG2 4.35Å; L108-T168 HydrophobicContact CD2-CG2 3.98Å; T168-L170 HydrophobicContact CG2-CB 4.17Å; T168-L170 PolarHBondContact O-N 3.22Å
169P92.7Very high90.6Very high2 Ų255 Ų551%0.01330%0.299CS..  trans-81.438.3-172.334.5-36.9000113.7L105 V106 L108 M114 L156 V167 L171 F172 L173L105-P169 HydrophobicContact CD2-CB 4.3Å; L105-P169 HydrophobicContact CD2-CG 4.41Å; V106-P169 WeakPolarHBondContact O-CD 3.03Å; L108-P169 HydrophobicContact CD1-CG 4.26Å; M114-P169 HydrophobicContact CE-CB 4.03Å; M114-P169 HydrophobicContact CE-CG 3.67Å; L156-P169 HydrophobicContact CD1-CB 3.96Å; L156-P169 HydrophobicContact CD2-CB 3.92Å; V167-P169 VanDerWaalsContact O-CD 3.32Å; V167-P169 WeakPolarHBondContact O-CD 3.29Å; P169-L171 PolarHBondContact O-N 2.74Å; P169-F172 PolarHBondContact O-N 3.03Å; P169-L173 WeakPolarHBondContact O-CB 3.47Å; P169-L173 PolarHBondContact O-N 2.86Å
170L90.2Very high90.6Very high51 Ų5152.4 Ų52.427%0.26728%0.282SS..Hα-helixtrans-63.7-43.9-170.3-175.964.6000113.7L108 T168 F172 T174 I203L108-L170 HydrophobicContact CD1-CB 4.34Å; L108-L170 HydrophobicContact CD1-CD1 4.11Å; T168-L170 HydrophobicContact CG2-CB 4.17Å; T168-L170 PolarHBondContact O-N 3.22Å; L170-F172 VanDerWaalsContact C-N 3.35Å; L170-T174 WeakPolarHBondContact O-CB 3.21Å; L170-T174 PolarHBondContact O-N 2.88Å; L170-T174 PolarHBondContact O-OG1 2.83Å; L170-I203 HydrophobicContact CD1-CB 4.4Å; L170-I203 HydrophobicContact CD1-CD1 3.85Å; L170-I203 HydrophobicContact CD1-CG2 3.82Å; L170-I203 HydrophobicContact CD2-CD1 4.1Å; L170-I203 HydrophobicContact CG-CD1 4.49Å
171L88.1Confident90.5Very high112 Ų11256.4 Ų56.459%0.58631%0.308SS*.Hα-helixtrans-63.4-44.5178.2176.662.3000110.9F155 P169 T174 C175F155-L171 HydrophobicContact CD2-CD2 4.42Å; P169-L171 PolarHBondContact O-N 2.74Å; L171-T174 PolarHBondContact O-N 2.88Å; L171-C175 PolarHBondContact O-N 3Å
172F93.5Very high90.5Very high3 Ų357 Ų571%0.01330%0.304CS..Hα-helixtrans-64.5-46.5178.7178-105.9000111.6M114 V118 L149 S152 L153 L156 P169 L170 T174 C175 L176 L219M114-F172 HydrophobicContact CE-CD1 4.33Å; M114-F172 HydrophobicContact CG-CD1 4.23Å; M114-F172 HydrophobicContact CG-CE1 3.69Å; M114-F172 HydrophobicContact SD-CD1 3.56Å; M114-F172 VanDerWaalsContact SD-CD1 3.56Å; M114-F172 HydrophobicContact SD-CE1 3.6Å; V118-F172 HydrophobicContact CG2-CD1 4.36Å; V118-F172 HydrophobicContact CG2-CE1 3.56Å; V118-F172 HydrophobicContact CG2-CZ 3.98Å; L149-F172 HydrophobicContact CD1-CD2 4.03Å; L149-F172 HydrophobicContact CD1-CE2 3.56Å; L149-F172 HydrophobicContact CD1-CZ 4.23Å; L149-F172 HydrophobicContact CG-CE2 4.35Å; S152-F172 WeakPolarHBondContact OG-CD2 3.32Å; L153-F172 HydrophobicContact CB-CD2 4.11Å; L153-F172 HydrophobicContact CB-CE2 3.78Å; L153-F172 HydrophobicContact CD1-CD2 4.3Å; L153-F172 HydrophobicContact CD1-CE2 3.77Å; L153-F172 HydrophobicContact CD1-CZ 3.99Å; L153-F172 HydrophobicContact CG-CE2 4.27Å; L156-F172 HydrophobicContact CD2-CB 3.97Å; L156-F172 HydrophobicContact CD2-CD1 3.89Å; L156-F172 HydrophobicContact CD2-CG 3.88Å; P169-F172 PolarHBondContact O-N 3.03Å; L170-F172 VanDerWaalsContact C-N 3.35Å; F172-T174 VanDerWaalsContact C-N 3.32Å; F172-T174 PolarHBondContact O-N 2.75Å; F172-C175 PolarHBondContact O-N 2.79Å; F172-L176 WeakPolarHBondContact O-CB 3.4Å; F172-L176 PolarHBondContact O-N 2.99Å; F172-L219 HydrophobicContact CE2-CD2 4.23Å; F172-L219 HydrophobicContact CZ-CD1 4.28Å; F172-L219 HydrophobicContact CZ-CD2 3.59Å
173L92.5Very high90.6Very high2 Ų248.7 Ų48.71%0.0127%0.268CS..Hα-helixtrans-58.2-44.6176.7-17768.2000111.8L108 T111 M114 P169 C175 L176 H177L108-L173 HydrophobicContact CB-CD2 3.93Å; L108-L173 HydrophobicContact CD1-CB 4.48Å; L108-L173 HydrophobicContact CD1-CD2 3.72Å; L108-L173 HydrophobicContact CG-CD2 4.49Å; T111-L173 HydrophobicContact CG2-CD1 3.75Å; T111-L173 HydrophobicContact CG2-CD2 3.85Å; T111-L173 HydrophobicContact CG2-CG 4.48Å; M114-L173 HydrophobicContact CE-CB 4.46Å; M114-L173 HydrophobicContact CE-CD1 4.16Å; M114-L173 HydrophobicContact SD-CB 4.29Å; M114-L173 HydrophobicContact SD-CD1 3.68Å; P169-L173 WeakPolarHBondContact O-CB 3.47Å; P169-L173 PolarHBondContact O-N 2.86Å; L173-C175 VanDerWaalsContact C-N 3.32Å; L173-C175 PolarHBondContact O-N 2.79Å; L173-L176 PolarHBondContact O-N 2.75Å; L173-H177 VanDerWaalsContact CD1-NE2 3.27Å; L173-H177 WeakPolarHBondContact CD1-NE2 3.48Å; L173-H177 WeakPolarHBondContact O-CB 3.35Å; L173-H177 PolarHBondContact O-N 2.92Å
174T89.1Confident90.7Very high81 Ų8148 Ų4850%0.49727%0.267SS..Hα-helixtrans-60.5-44.6178.3-54.20000110.7L170 L171 F172 S178L170-T174 WeakPolarHBondContact O-CB 3.21Å; L170-T174 PolarHBondContact O-N 2.88Å; L170-T174 PolarHBondContact O-OG1 2.83Å; L171-T174 PolarHBondContact O-N 2.88Å; F172-T174 VanDerWaalsContact C-N 3.32Å; F172-T174 PolarHBondContact O-N 2.75Å; T174-S178 PolarHBondContact O-N 2.9Å; T174-S178 VanDerWaalsContact O-N 3.16Å
175C90.3Very high90.7Very high17 Ų1743.8 Ų43.812%0.11525%0.254CS..Hα-helixtrans-66.3-43.7177.3-165.60000111.7L149 L171 F172 L173 H177 S178 V179L149-C175 WeakPolarHBondContact CA-SG 3.31Å; L149-C175 HydrophobicContact CD1-CB 4.29Å; L149-C175 PolarHBondContact N-SG 3.12Å; L149-C175 VanDerWaalsContact N-SG 3.41Å; L171-C175 PolarHBondContact O-N 3Å; F172-C175 PolarHBondContact O-N 2.79Å; L173-C175 VanDerWaalsContact C-N 3.32Å; L173-C175 PolarHBondContact O-N 2.79Å; C175-H177 PolarHBondContact O-N 3.35Å; C175-S178 PolarHBondContact O-N 3.25Å; C175-S178 VanDerWaalsContact O-N 3.11Å; C175-V179 WeakPolarHBondContact O-CG2 3.43Å; C175-V179 PolarHBondContact O-N 3.16Å
176L93.4Very high90.4Very high0 Ų043.8 Ų43.80%025%0.249CC..Hα-helixtrans-56.9-49.5176.7179.564.6000111.2M114 L149 F172 L173 S178 V179 C180 F183 L219M114-L176 HydrophobicContact CB-CD2 4.47Å; M114-L176 HydrophobicContact CG-CD2 3.92Å; M114-L176 HydrophobicContact SD-CD2 3.78Å; L149-L176 HydrophobicContact CD1-CB 4.04Å; L149-L176 HydrophobicContact CD1-CD1 4.31Å; L149-L176 HydrophobicContact CD2-CD1 4.16Å; F172-L176 WeakPolarHBondContact O-CB 3.4Å; F172-L176 PolarHBondContact O-N 2.99Å; L173-L176 PolarHBondContact O-N 2.75Å; L176-S178 PolarHBondContact O-N 2.87Å; L176-V179 PolarHBondContact O-N 2.98Å; L176-C180 HydrophobicContact CD1-CB 4.3Å; L176-C180 WeakPolarHBondContact O-CA 3.3Å; L176-C180 WeakPolarHBondContact O-CB 3.39Å; L176-C180 PolarHBondContact O-N 2.84Å; L176-F183 HydrophobicContact CD1-CD2 3.87Å; L176-F183 HydrophobicContact CD1-CE2 4.15Å; L176-F183 HydrophobicContact CD2-CD2 4.28Å; L176-F183 HydrophobicContact CG-CD2 3.98Å; L176-L219 HydrophobicContact CD1-CD2 4.24Å
177H91.6Very high89.3Confident22 Ų2242.4 Ų42.410%0.10224%0.244CC..Hα-helixtrans-63.5-29.6178.2-73.2-175.9000113L173 C175 P181 F183 A184 F207L173-H177 VanDerWaalsContact CD1-NE2 3.27Å; L173-H177 WeakPolarHBondContact CD1-NE2 3.48Å; L173-H177 WeakPolarHBondContact O-CB 3.35Å; L173-H177 PolarHBondContact O-N 2.92Å; C175-H177 PolarHBondContact O-N 3.35Å; H177-P181 WeakPolarHBondContact O-CA 3.31Å; H177-F183 PolarHBondContact NE2-O 2.86Å; H177-A184 HydrophobicContact CB-CB 3.83Å; H177-F207 AromaticContact CE1-CD1 3.72Å; H177-F207 AromaticContact CE1-CD2 3.64Å; H177-F207 AromaticContact CE1-CE1 3.66Å; H177-F207 AromaticContact CE1-CE2 3.53Å; H177-F207 AromaticContact CE1-CG 3.72Å; H177-F207 AromaticContact CE1-CZ 3.57Å; H177-F207 AromaticContact ND1-CE1 3.56Å; H177-F207 AromaticContact ND1-CE2 3.74Å; H177-F207 AromaticContact ND1-CZ 3.37Å; H177-F207 WeakPolarHBondContact ND1-CZ 3.46Å
178S89.4Confident87.7Confident65 Ų6545.8 Ų45.846%0.45527%0.268SS..Hα-helixtrans-80.7-33.8178.6-160.20000113.5P144 T174 C175 L176P144-S178 WeakPolarHBondContact CG-OG 3.4Å; T174-S178 PolarHBondContact O-N 2.9Å; T174-S178 VanDerWaalsContact O-N 3.16Å; C175-S178 PolarHBondContact O-N 3.25Å; C175-S178 VanDerWaalsContact O-N 3.11Å; L176-S178 PolarHBondContact O-N 2.87Å
179V90.8Very high85.8Confident24 Ų2447.9 Ų47.915%0.14529%0.285CS..Hα-helixtrans-86-32.5-179.81770000111.7P144 N145 L146 L149 C175 L176P144-V179 HydrophobicContact CB-CG2 4Å; N145-V179 WeakPolarHBondContact O-CG2 3.48Å; L146-V179 HydrophobicContact CD2-CG1 3.67Å; L146-V179 HydrophobicContact CG-CG1 4.38Å; L149-V179 HydrophobicContact CB-CG2 4.3Å; L149-V179 HydrophobicContact CD2-CB 4.46Å; L149-V179 HydrophobicContact CD2-CG1 4.29Å; C175-V179 WeakPolarHBondContact O-CG2 3.43Å; C175-V179 PolarHBondContact O-N 3.16Å; L176-V179 PolarHBondContact O-N 2.98Å
180C93.1Very high83.8Confident1 Ų151.6 Ų51.61%0.00731%0.311CS..SBendtrans-124.778179.2-57.80000109.1L176 Q182 F183 E218L176-C180 HydrophobicContact CD1-CB 4.3Å; L176-C180 WeakPolarHBondContact O-CA 3.3Å; L176-C180 WeakPolarHBondContact O-CB 3.39Å; L176-C180 PolarHBondContact O-N 2.84Å; C180-Q182 PolarHBondContact O-N 3.45Å; C180-Q182 VanDerWaalsContact O-N 3.07Å; C180-Q182 PolarHBondContact O-OE1 2.73Å; C180-F183 HydrophobicContact CB-CD2 3.5Å; C180-F183 HydrophobicContact CB-CE2 3.72Å; C180-F183 PolarHBondContact O-N 3.38Å; C180-F183 VanDerWaalsContact O-N 3.08Å; C180-E218 PolarHBondContact SG-OE2 3.29Å
181P90.1Very high81.8Confident87 Ų8754.9 Ų54.957%0.56533%0.329SS*.G310 helixtrans-59.9-20.3-174.8-24.935.4000115H177 F183 A184H177-P181 WeakPolarHBondContact O-CA 3.31Å; P181-F183 PolarHBondContact O-N 2.99Å; P181-A184 WeakPolarHBondContact O-CB 3.4Å; P181-A184 PolarHBondContact O-N 3.26Å
182Q90Very high79.8Confident73 Ų7352.3 Ų52.334%0.34132%0.324SS..G310 helixtrans-58.2-32.6175.168.5-87.335.400112.1C180 A184C180-Q182 PolarHBondContact O-N 3.45Å; C180-Q182 VanDerWaalsContact O-N 3.07Å; C180-Q182 PolarHBondContact O-OE1 2.73Å; Q182-A184 VanDerWaalsContact C-N 3.26Å; Q182-A184 PolarHBondContact O-N 3.08Å
183F91.1Very high77.3Confident0 Ų057.2 Ų57.20%036%0.359CS..G310 helixtrans-79.2-10177.9-57.9-44.2000113.4Y113 L176 H177 C180 P181 A185 Q210 E214 C215 E218Y113-F183 HydrophobicContact CE2-CD1 4.32Å; Y113-F183 HydrophobicContact CE2-CG 4.48Å; L176-F183 HydrophobicContact CD1-CD2 3.87Å; L176-F183 HydrophobicContact CD1-CE2 4.15Å; L176-F183 HydrophobicContact CD2-CD2 4.28Å; L176-F183 HydrophobicContact CG-CD2 3.98Å; H177-F183 PolarHBondContact NE2-O 2.86Å; C180-F183 HydrophobicContact CB-CD2 3.5Å; C180-F183 HydrophobicContact CB-CE2 3.72Å; C180-F183 PolarHBondContact O-N 3.38Å; C180-F183 VanDerWaalsContact O-N 3.08Å; P181-F183 PolarHBondContact O-N 2.99Å; F183-A185 VanDerWaalsContact C-N 3.31Å; F183-Q210 HydrophobicContact CB-CG 4.27Å; F183-Q210 HydrophobicContact CD1-CB 3.71Å; F183-Q210 HydrophobicContact CD1-CG 3.72Å; F183-Q210 HydrophobicContact CE1-CB 4.21Å; F183-Q210 HydrophobicContact CG-CG 4.45Å; F183-E214 HydrophobicContact CE1-CB 4.22Å; F183-E214 HydrophobicContact CE1-CG 4.04Å; F183-E214 HydrophobicContact CZ-CB 4.29Å; F183-E214 HydrophobicContact CZ-CG 3.93Å; F183-C215 HydrophobicContact CE1-CB 4.36Å; F183-C215 HydrophobicContact CE2-CB 4.46Å; F183-C215 VanDerWaalsContact CZ-CA 3.49Å; F183-C215 HydrophobicContact CZ-CB 4.02Å; F183-E218 HydrophobicContact CE2-CB 4.03Å; F183-E218 HydrophobicContact CE2-CG 3.94Å; F183-E218 HydrophobicContact CZ-CB 4.36Å; F183-E218 HydrophobicContact CZ-CG 4Å
184A87.7Confident75.1Confident31 Ų3164.6 Ų64.626%0.25639%0.391SS..G310 helixtrans-89.25.817800000113.2H177 P181 Q182 F207H177-A184 HydrophobicContact CB-CB 3.83Å; P181-A184 WeakPolarHBondContact O-CB 3.4Å; P181-A184 PolarHBondContact O-N 3.26Å; Q182-A184 VanDerWaalsContact C-N 3.26Å; Q182-A184 PolarHBondContact O-N 3.08Å; A184-F207 HydrophobicContact CB-CE1 4.33Å
185A85.2Confident72.9Confident38 Ų3864 Ų6431%0.31439%0.39SS..  trans-57.3139176.700000110.8F183 F207 E208F183-A185 VanDerWaalsContact C-N 3.31Å; A185-F207 CarbonylContact O-C 3.55Å; A185-F207 WeakPolarHBondContact O-CA 3.47Å; A185-E208 HydrophobicContact CB-CB 4.42Å; A185-E208 PolarHBondContact O-N 3.18Å
186R81.2Confident70.8Confident159 Ų15966.8 Ų66.860%0.642%0.415SS*.BIsolated β-bridgetrans-107135-179.2-73.1-171.9162.6108.70.1110.8G206 F207R186-G206 CarbonylContact C-O 3.59Å; R186-G206 VanDerWaalsContact CA-O 3.24Å; R186-G206 WeakPolarHBondContact CA-O 3.44Å; R186-F207 HydrophobicContact CG-CD1 4.24Å; R186-F207 HydrophobicContact CG-CE1 4.42Å
187A69.2Low68Low35 Ų3573.3 Ų73.329%0.28946%0.457SS..  trans-58141169.500000110.4G206A187-G206 PolarHBondContact N-O 3.07Å
188S59.8Low65.8Low89 Ų8974.6 Ų74.662%0.62248%0.476SS*.  trans-59149.9176.171.60000111.2S190 D191S188-S190 PolarHBondContact O-N 2.98Å; S188-D191 PolarHBondContact O-N 3.45Å
189S52.7Low63.8Low113 Ų11376.3 Ų76.379%0.7949%0.494SS*.THydrogen-bonded Turntrans-57.2-6.6-165.653.10000117.1D191S189-D191 VanDerWaalsContact C-N 3.33Å; S189-D191 PolarHBondContact O-N 3.33Å
190S50.4Low61.6Low80 Ų8079.9 Ų79.956%0.55951%0.512SS*.THydrogen-bonded Turntrans-65.8-32.4179.9520000113.4S188S188-S190 PolarHBondContact O-N 2.98Å
191D48.1Very low59.4Low120 Ų12081.2 Ų81.264%0.64252%0.521SS*.SBendtrans-97-8-173.4-66.6-25000114S188 S189 S193S188-D191 PolarHBondContact O-N 3.45Å; S189-D191 VanDerWaalsContact C-N 3.33Å; S189-D191 PolarHBondContact O-N 3.33Å; D191-S193 PolarHBondContact O-N 3.1Å
192A46.5Very low57.3Low59 Ų5984 Ų8449%0.48853%0.528SS..G310 helixtrans-68.1-19-176.400000113.9K194A192-K194 VanDerWaalsContact C-N 3.3Å; A192-K194 PolarHBondContact O-N 3.42Å
193S41.4Very low55.4Low106 Ų10683.8 Ų83.874%0.74153%0.529SS*.G310 helixtrans-76-9.1-171.771.20000115.2D191D191-S193 PolarHBondContact O-N 3.1Å
194K45.7Very low53.5Low156 Ų15685.4 Ų85.468%0.67854%0.541SS*.G310 helixtrans-102.86.1-174.7-61.3-164.4-172.9-157.70115.8E19 A192E19-K194 WeakPolarHBondContact OE2-CE 3.46Å; E19-K194 IonicContact OE2-NZ 2.73Å; E19-K194 PolarHBondContact OE2-NZ 3.39Å; A192-K194 VanDerWaalsContact C-N 3.3Å; A192-K194 PolarHBondContact O-N 3.42Å
195S44.1Very low51.8Low68 Ų6891.2 Ų91.248%0.47656%0.556SS.*PPolyproline II helixtrans-94.4142.8-174.565.50000114.3
196A44.5Very low50.9Low77 Ų7790.6 Ų90.664%0.63655%0.553SS**PPolyproline II helixtrans-63.5145.4-171.500000113.9
197P36.2Very low50.9Low136 Ų13683.9 Ų83.988%0.88353%0.529SS*.PPolyproline II helixtrans-70.7134.1178.627.1-32.2000112.2
198G45.2Very low51.6Low49 Ų4985.7 Ų85.751%0.50553%0.531SS..SBendtrans160.7163.5174.400000113.3L200 S201G198-L200 PolarHBondContact O-N 2.94Å; G198-S201 WeakPolarHBondContact O-CB 3.47Å; G198-S201 PolarHBondContact O-N 3.31Å
199A47.1Very low52.7Low101 Ų10182.2 Ų82.284%0.83551%0.505SS*.G310 helixtrans-59.4-28.9-177.200000113.9S201A199-S201 VanDerWaalsContact C-N 3.29Å; A199-S201 PolarHBondContact O-N 3.44Å
200L44.3Very low54.5Low99 Ų9977.9 Ų77.952%0.51847%0.472SS..G310 helixtrans-71.9-20.7174.5-69.8170.8000113.2G198 M202 I203 S204G198-L200 PolarHBondContact O-N 2.94Å; L200-M202 VanDerWaalsContact C-N 3.27Å; L200-M202 PolarHBondContact O-N 3.43Å; L200-I203 PolarHBondContact O-N 2.95Å; L200-I203 VanDerWaalsContact O-N 3.14Å; L200-S204 PolarHBondContact O-N 3.13Å
201S46.8Very low56.4Low30 Ų3075.8 Ų75.821%0.2146%0.455CS..G310 helixtrans-56.1-40.4176.9171.50000111.6G198 A199 I203 S204 R205G198-S201 WeakPolarHBondContact O-CB 3.47Å; G198-S201 PolarHBondContact O-N 3.31Å; A199-S201 VanDerWaalsContact C-N 3.29Å; A199-S201 PolarHBondContact O-N 3.44Å; S201-I203 PolarHBondContact O-N 2.88Å; S201-S204 CarbonylContact O-C 3.59Å; S201-S204 PolarHBondContact O-N 3.01Å; S201-R205 VanDerWaalsContact O-CG 3.28Å; S201-R205 WeakPolarHBondContact O-CG 3.41Å; S201-R205 PolarHBondContact O-N 3.26Å
202M45.4Very low58.5Low144 Ų14470.1 Ų70.171%0.70942%0.424SS*.G310 helixtrans-62.2-31.2-178.6-88-142.9-117.800113.4L200L200-M202 VanDerWaalsContact C-N 3.27Å; L200-M202 PolarHBondContact O-N 3.43Å
203I50.3Low60.7Low69 Ų6967.8 Ų67.835%0.35441%0.405SS..THydrogen-bonded Turntrans-88.2-39.6178.4-47.8175.4000109.7L170 L200 S201 R205 F207L170-I203 HydrophobicContact CD1-CB 4.4Å; L170-I203 HydrophobicContact CD1-CD1 3.85Å; L170-I203 HydrophobicContact CD1-CG2 3.82Å; L170-I203 HydrophobicContact CD2-CD1 4.1Å; L170-I203 HydrophobicContact CG-CD1 4.49Å; L200-I203 PolarHBondContact O-N 2.95Å; L200-I203 VanDerWaalsContact O-N 3.14Å; S201-I203 PolarHBondContact O-N 2.88Å; I203-R205 PolarHBondContact O-N 3.08Å; I203-R205 VanDerWaalsContact O-N 3.14Å; I203-F207 WeakPolarHBondContact O-CE2 3.19Å
204S50.7Low63.2Low35 Ų3566.5 Ų66.525%0.24539%0.387CS..SBendtrans-72.94.9172.9-69.30000114.5L108 L200 S201 G206L108-S204 WeakPolarHBondContact O-CB 3.48Å; L108-S204 PolarHBondContact O-OG 2.99Å; L200-S204 PolarHBondContact O-N 3.13Å; S201-S204 CarbonylContact O-C 3.59Å; S201-S204 PolarHBondContact O-N 3.01Å; S204-G206 VanDerWaalsContact C-N 3.29Å; S204-G206 PolarHBondContact O-N 3.41Å
205R52.9Low65.5Low152 Ų15259.1 Ų59.157%0.57436%0.355SS*.SBendtrans-61.988.1177.9-97.2176.9-178.2-140.4-1.6110.8S201 I203 F207S201-R205 VanDerWaalsContact O-CG 3.28Å; S201-R205 WeakPolarHBondContact O-CG 3.41Å; S201-R205 PolarHBondContact O-N 3.26Å; I203-R205 PolarHBondContact O-N 3.08Å; I203-R205 VanDerWaalsContact O-N 3.14Å; R205-F207 PolarHBondContact O-N 3.39Å
206G66Low68Low26 Ų2656 Ų5627%0.26833%0.333SS..  trans59.239.7152.500000114.8R186 A187 S204R186-G206 CarbonylContact C-O 3.59Å; R186-G206 VanDerWaalsContact CA-O 3.24Å; R186-G206 WeakPolarHBondContact CA-O 3.44Å; A187-G206 PolarHBondContact N-O 3.07Å; S204-G206 VanDerWaalsContact C-N 3.29Å; S204-G206 PolarHBondContact O-N 3.41Å
207F81.1Confident70.4Confident18 Ų1855.3 Ų55.38%0.07932%0.32CS..BIsolated β-bridgetrans-61138.9164.3-69.1-65.1000109.1N110 H177 A184 A185 R186 I203 R205N110-F207 WeakPolarHBondContact CB-O 3.26Å; N110-F207 PolarHBondContact ND2-O 3.23Å; H177-F207 AromaticContact CE1-CD1 3.72Å; H177-F207 AromaticContact CE1-CD2 3.64Å; H177-F207 AromaticContact CE1-CE1 3.66Å; H177-F207 AromaticContact CE1-CE2 3.53Å; H177-F207 AromaticContact CE1-CG 3.72Å; H177-F207 AromaticContact CE1-CZ 3.57Å; H177-F207 AromaticContact ND1-CE1 3.56Å; H177-F207 AromaticContact ND1-CE2 3.74Å; H177-F207 AromaticContact ND1-CZ 3.37Å; H177-F207 WeakPolarHBondContact ND1-CZ 3.46Å; A184-F207 HydrophobicContact CB-CE1 4.33Å; A185-F207 CarbonylContact O-C 3.55Å; A185-F207 WeakPolarHBondContact O-CA 3.47Å; R186-F207 HydrophobicContact CG-CD1 4.24Å; R186-F207 HydrophobicContact CG-CE1 4.42Å; I203-F207 WeakPolarHBondContact O-CE2 3.19Å; R205-F207 PolarHBondContact O-N 3.39Å
208E83.4Confident73.2Confident73 Ų7350.2 Ų50.234%0.34129%0.285SS..PPolyproline II helixtrans-71.2146174.9-176174.9-173.600109.6A185 Q210A185-E208 HydrophobicContact CB-CB 4.42Å; A185-E208 PolarHBondContact O-N 3.18Å; E208-Q210 WeakPolarHBondContact O-CG 3.45Å; E208-Q210 PolarHBondContact O-NE2 3.36Å
209Q84.3Confident75.7Confident16 Ų1648 Ų488%0.07526%0.261CS..PPolyproline II helixtrans-68.1133.4175-176170.2-900110.7N110 G450N110-Q209 HydrophobicContact CB-CB 4.02Å; Q209-G450 PolarHBondContact NE2-O 3.02Å; Q209-G450 PolarHBondContact OE1-O 3.39Å
210Q89.7Confident78Confident22 Ų2243.4 Ų43.410%0.10322%0.223CC..  trans-112.3164.3-173.8-54.1-62.5-43.200111.7Y113 F183 E208 A212 Y452Y113-Q210 VanDerWaalsContact CB-O 3.29Å; Y113-Q210 WeakPolarHBondContact CB-O 3.43Å; Y113-Q210 HydrophobicContact CD1-CB 3.91Å; Y113-Q210 HydrophobicContact CD1-CG 4.48Å; Y113-Q210 HydrophobicContact CD2-CB 3.97Å; Y113-Q210 HydrophobicContact CE1-CB 3.71Å; Y113-Q210 HydrophobicContact CE1-CG 3.82Å; Y113-Q210 HydrophobicContact CE2-CB 3.79Å; Y113-Q210 HydrophobicContact CE2-CG 4.3Å; Y113-Q210 HydrophobicContact CG-CB 4.06Å; F183-Q210 HydrophobicContact CB-CG 4.27Å; F183-Q210 HydrophobicContact CD1-CB 3.71Å; F183-Q210 HydrophobicContact CD1-CG 3.72Å; F183-Q210 HydrophobicContact CE1-CB 4.21Å; F183-Q210 HydrophobicContact CG-CG 4.45Å; E208-Q210 WeakPolarHBondContact O-CG 3.45Å; E208-Q210 PolarHBondContact O-NE2 3.36Å; Q210-A212 PolarHBondContact O-N 2.96Å; Q210-Y452 WeakPolarHBondContact O-CE2 3.43Å
211D90Very high80.3Confident36 Ų3643.6 Ų43.619%0.19322%0.217CC..  trans-73.8122.9177.2-166.5-26.2000111.4S213 E214 C215 Y491D211-S213 VanDerWaalsContact C-N 3.28Å; D211-S213 PolarHBondContact O-N 2.97Å; D211-S213 PolarHBondContact OD1-N 3.44Å; D211-S213 PolarHBondContact OD1-OG 2.87Å; D211-E214 HydrophobicContact CB-CB 4.07Å; D211-E214 PolarHBondContact O-N 2.79Å; D211-C215 PolarHBondContact O-N 3.11Å; D211-Y491 VanDerWaalsContact CG-OH 3.25Å; D211-Y491 WeakPolarHBondContact OD1-CE1 3.41Å; D211-Y491 PolarHBondContact OD1-OH 3.21Å; D211-Y491 PolarHBondContact OD2-OH 3.26Å
212A93.4Very high82.4Confident0 Ų042.2 Ų42.20%021%0.207CC..Hα-helixtrans-62.9-29.4177.100000113.8Q210 W216 L440 Y452 Y491Q210-A212 PolarHBondContact O-N 2.96Å; A212-W216 VanDerWaalsContact O-CB 3.32Å; A212-W216 WeakPolarHBondContact O-CB 3.38Å; A212-W216 PolarHBondContact O-N 3.22Å; A212-L440 HydrophobicContact CB-CD1 3.98Å; A212-L440 HydrophobicContact CB-CD2 3.73Å; A212-Y452 HydrophobicContact CB-CD1 3.59Å; A212-Y452 HydrophobicContact CB-CD2 4.31Å; A212-Y452 HydrophobicContact CB-CE1 3.47Å; A212-Y452 VanDerWaalsContact CB-CE1 3.47Å; A212-Y452 HydrophobicContact CB-CE2 4.23Å; A212-Y452 HydrophobicContact CB-CG 3.99Å; A212-Y491 HydrophobicContact CB-CD1 4.34Å; A212-Y491 HydrophobicContact CB-CE1 4.26Å
213S92.5Very high84.6Confident11 Ų1135.5 Ų35.58%0.07717%0.174CC..Hα-helixtrans-76.3-33.4177.364.50000112.3D211 T217 H335 Y491D211-S213 VanDerWaalsContact C-N 3.28Å; D211-S213 PolarHBondContact O-N 2.97Å; D211-S213 PolarHBondContact OD1-N 3.44Å; D211-S213 PolarHBondContact OD1-OG 2.87Å; S213-T217 WeakPolarHBondContact O-CB 3.48Å; S213-T217 PolarHBondContact O-N 3.38Å; S213-T217 PolarHBondContact O-OG1 2.92Å; S213-H335 WeakPolarHBondContact CB-NE2 3.26Å; S213-H335 PolarHBondContact OG-NE2 3Å; S213-Y491 PolarHBondContact OG-OH 3.14Å
214E92.9Very high86.5Confident79 Ų7935.3 Ų35.337%0.36917%0.172SC..Hα-helixtrans-65.6-47.3171.8-168.2-176.7-179.900109.9F183 D211 W216 T217 E218F183-E214 HydrophobicContact CE1-CB 4.22Å; F183-E214 HydrophobicContact CE1-CG 4.04Å; F183-E214 HydrophobicContact CZ-CB 4.29Å; F183-E214 HydrophobicContact CZ-CG 3.93Å; D211-E214 HydrophobicContact CB-CB 4.07Å; D211-E214 PolarHBondContact O-N 2.79Å; E214-W216 PolarHBondContact O-N 3.48Å; E214-T217 PolarHBondContact O-N 2.95Å; E214-T217 VanDerWaalsContact O-N 3.17Å; E214-E218 WeakPolarHBondContact O-CG 3.37Å; E214-E218 PolarHBondContact O-N 2.96Å
215C95.5Very high88.2Confident0 Ų036.4 Ų36.40%018%0.179CC..Hα-helixtrans-57.1-48174.2-175.80000111.7Y113 F183 D211 T217 E218 L219Y113-C215 HydrophobicContact CD2-CB 3.61Å; Y113-C215 HydrophobicContact CE2-CB 3.92Å; F183-C215 HydrophobicContact CE1-CB 4.36Å; F183-C215 HydrophobicContact CE2-CB 4.46Å; F183-C215 VanDerWaalsContact CZ-CA 3.49Å; F183-C215 HydrophobicContact CZ-CB 4.02Å; D211-C215 PolarHBondContact O-N 3.11Å; C215-T217 VanDerWaalsContact C-N 3.33Å; C215-T217 PolarHBondContact O-N 3.22Å; C215-E218 PolarHBondContact O-N 3.02Å; C215-L219 VanDerWaalsContact O-CG 3.28Å; C215-L219 WeakPolarHBondContact O-CG 3.32Å; C215-L219 PolarHBondContact O-N 2.79Å
216W96.3Very high89.6Confident3 Ų329.5 Ų29.51%0.01115%0.154CC..Hα-helixtrans-53.5-49.8174.4174.1-88.3000111.9A117 L120 L121 A212 E214 E218 L219 I220 C333 I492 L494A117-W216 HydrophobicContact CB-CE3 4.44Å; L120-W216 HydrophobicContact CB-CH2 4.44Å; L120-W216 HydrophobicContact CB-CZ3 3.7Å; L120-W216 HydrophobicContact CD2-CZ3 4.36Å; L121-W216 HydrophobicContact CD2-CE3 4.22Å; L121-W216 HydrophobicContact CD2-CH2 3.6Å; L121-W216 HydrophobicContact CD2-CZ2 4.21Å; L121-W216 HydrophobicContact CD2-CZ3 3.6Å; L121-W216 HydrophobicContact CG-CE3 4.12Å; L121-W216 HydrophobicContact CG-CH2 4.15Å; L121-W216 HydrophobicContact CG-CZ3 3.62Å; A212-W216 VanDerWaalsContact O-CB 3.32Å; A212-W216 WeakPolarHBondContact O-CB 3.38Å; A212-W216 PolarHBondContact O-N 3.22Å; E214-W216 PolarHBondContact O-N 3.48Å; W216-E218 VanDerWaalsContact C-N 3.35Å; W216-E218 PolarHBondContact O-N 2.94Å; W216-L219 PolarHBondContact O-N 3.23Å; W216-I220 HydrophobicContact CD2-CG1 4.44Å; W216-I220 HydrophobicContact CG-CG1 4.49Å; W216-I220 HydrophobicContact CZ2-CD1 4.11Å; W216-I220 HydrophobicContact CZ2-CG1 4.38Å; W216-I220 VanDerWaalsContact O-CG1 3.31Å; W216-I220 WeakPolarHBondContact O-CG1 3.34Å; W216-I220 PolarHBondContact O-N 3.32Å; W216-C333 HydrophobicContact CZ2-CB 4.22Å; W216-I492 HydrophobicContact CB-CD1 3.99Å; W216-I492 HydrophobicContact CG-CD1 4.16Å; W216-L494 HydrophobicContact CH2-CD1 4.41Å
217T95.5Very high90.1Very high62 Ų6236.3 Ų36.338%0.3818%0.176SC..Hα-helixtrans-62.5-41.9-178.1-56.70000111.7S213 E214 C215 I220 R221S213-T217 WeakPolarHBondContact O-CB 3.48Å; S213-T217 PolarHBondContact O-N 3.38Å; S213-T217 PolarHBondContact O-OG1 2.92Å; E214-T217 PolarHBondContact O-N 2.95Å; E214-T217 VanDerWaalsContact O-N 3.17Å; C215-T217 VanDerWaalsContact C-N 3.33Å; C215-T217 PolarHBondContact O-N 3.22Å; T217-I220 PolarHBondContact O-N 2.88Å; T217-R221 WeakPolarHBondContact O-CB 3.46Å; T217-R221 PolarHBondContact O-N 3.42Å
218E95Very high89.9Confident29 Ų2936.1 Ų36.114%0.13618%0.176CC..Hα-helixtrans-65.5-37.8176.6-73.7-60.5117.300112.6C180 F183 E214 C215 W216 R221 A222C180-E218 PolarHBondContact SG-OE2 3.29Å; F183-E218 HydrophobicContact CE2-CB 4.03Å; F183-E218 HydrophobicContact CE2-CG 3.94Å; F183-E218 HydrophobicContact CZ-CB 4.36Å; F183-E218 HydrophobicContact CZ-CG 4Å; E214-E218 WeakPolarHBondContact O-CG 3.37Å; E214-E218 PolarHBondContact O-N 2.96Å; C215-E218 PolarHBondContact O-N 3.02Å; W216-E218 VanDerWaalsContact C-N 3.35Å; W216-E218 PolarHBondContact O-N 2.94Å; E218-R221 PolarHBondContact O-N 3.19Å; E218-R221 IonicContact OE1-NE 3.55Å; E218-R221 PolarHBondContact OE1-NE 3.17Å; E218-R221 IonicContact OE2-CZ 3.22Å; E218-R221 VanDerWaalsContact OE2-CZ 3.27Å; E218-R221 IonicContact OE2-NE 3.79Å; E218-R221 PolarHBondContact OE2-NE 3.35Å; E218-R221 IonicContact OE2-NH2 3.41Å; E218-R221 PolarHBondContact OE2-NH2 2.94Å; E218-A222 WeakPolarHBondContact O-CB 3.23Å; E218-A222 PolarHBondContact O-N 2.92Å
219L96Very high89.5Confident2 Ų236.7 Ų36.71%0.0118%0.182CC..Hα-helixtrans-67-42.8174-64.9-178.5000111.7A117 V118 L121 L149 F172 L176 C215 W216 R221 A222 L223A117-L219 HydrophobicContact CB-CD1 4.41Å; V118-L219 HydrophobicContact CG2-CD1 4.22Å; L121-L219 HydrophobicContact CD1-CB 3.81Å; L121-L219 HydrophobicContact CD1-CD1 3.67Å; L121-L219 HydrophobicContact CD1-CG 4.38Å; L149-L219 HydrophobicContact CD2-CD2 4.21Å; F172-L219 HydrophobicContact CE2-CD2 4.23Å; F172-L219 HydrophobicContact CZ-CD1 4.28Å; F172-L219 HydrophobicContact CZ-CD2 3.59Å; L176-L219 HydrophobicContact CD1-CD2 4.24Å; C215-L219 VanDerWaalsContact O-CG 3.28Å; C215-L219 WeakPolarHBondContact O-CG 3.32Å; C215-L219 PolarHBondContact O-N 2.79Å; W216-L219 PolarHBondContact O-N 3.23Å; L219-R221 VanDerWaalsContact C-N 3.33Å; L219-R221 PolarHBondContact O-N 2.98Å; L219-A222 PolarHBondContact O-N 2.81Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 VanDerWaalsContact O-CG 3.22Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 2.77Å
220I95.3Very high89.1Confident5 Ų536.5 Ų36.53%0.02618%0.182CC..Hα-helixtrans-60.2-44.7174-68.3-60.4000110.6L121 W216 T217 A222 L223 Q224 V252 L256 T281L121-I220 HydrophobicContact CD2-CD1 3.84Å; W216-I220 HydrophobicContact CD2-CG1 4.44Å; W216-I220 HydrophobicContact CG-CG1 4.49Å; W216-I220 HydrophobicContact CZ2-CD1 4.11Å; W216-I220 HydrophobicContact CZ2-CG1 4.38Å; W216-I220 VanDerWaalsContact O-CG1 3.31Å; W216-I220 WeakPolarHBondContact O-CG1 3.34Å; W216-I220 PolarHBondContact O-N 3.32Å; T217-I220 PolarHBondContact O-N 2.88Å; I220-A222 PolarHBondContact O-N 3.38Å; I220-L223 PolarHBondContact O-N 3Å; I220-Q224 HydrophobicContact CG2-CG 4.49Å; I220-Q224 WeakPolarHBondContact O-CG 3.27Å; I220-Q224 PolarHBondContact O-N 2.78Å; I220-V252 HydrophobicContact CG2-CG1 3.79Å; I220-L256 HydrophobicContact CD1-CD1 4Å; I220-T281 HydrophobicContact CG2-CG2 3.96Å
221R93.2Very high88.4Confident103 Ų10341.8 Ų41.839%0.38921%0.207SC..Hα-helixtrans-60.1-43.4176.3-174.3-179.672.787.1-0.6112.1T217 E218 L219 Q224 S225T217-R221 WeakPolarHBondContact O-CB 3.46Å; T217-R221 PolarHBondContact O-N 3.42Å; E218-R221 PolarHBondContact O-N 3.19Å; E218-R221 IonicContact OE1-NE 3.55Å; E218-R221 PolarHBondContact OE1-NE 3.17Å; E218-R221 IonicContact OE2-CZ 3.22Å; E218-R221 VanDerWaalsContact OE2-CZ 3.27Å; E218-R221 IonicContact OE2-NE 3.79Å; E218-R221 PolarHBondContact OE2-NE 3.35Å; E218-R221 IonicContact OE2-NH2 3.41Å; E218-R221 PolarHBondContact OE2-NH2 2.94Å; L219-R221 VanDerWaalsContact C-N 3.33Å; L219-R221 PolarHBondContact O-N 2.98Å; R221-Q224 PolarHBondContact O-N 2.81Å; R221-S225 PolarHBondContact O-N 2.8Å
222A91.4Very high87.8Confident1 Ų142.9 Ų42.91%0.00822%0.215CC..Hα-helixtrans-61.9-46.1175.500000111.2L146 L149 C150 E218 L219 I220 Q224 S225L146-A222 HydrophobicContact CB-CB 4.24Å; L146-A222 HydrophobicContact CD2-CB 3.79Å; L149-A222 HydrophobicContact CD2-CB 3.89Å; L149-A222 HydrophobicContact CG-CB 4.45Å; C150-A222 PolarHBondContact SG-O 3.09Å; E218-A222 WeakPolarHBondContact O-CB 3.23Å; E218-A222 PolarHBondContact O-N 2.92Å; L219-A222 PolarHBondContact O-N 2.81Å; I220-A222 PolarHBondContact O-N 3.38Å; A222-Q224 VanDerWaalsContact C-N 3.34Å; A222-Q224 PolarHBondContact O-N 3.29Å; A222-S225 PolarHBondContact O-N 3Å; A222-S225 VanDerWaalsContact O-N 3.15Å; A222-S225 PolarHBondContact O-OG 3.31Å
223L92Very high87.1Confident3 Ų342.9 Ų42.92%0.01622%0.215CC..Hα-helixtrans-62.7-38.5177.2-70.3167.4000112.2L121 L127 L131 L153 L219 I220 S225 S226 N250 V252L121-L223 HydrophobicContact CD1-CD1 4.43Å; L121-L223 HydrophobicContact CD2-CD1 4.36Å; L127-L223 HydrophobicContact CD1-CD1 4.04Å; L127-L223 HydrophobicContact CD1-CD2 4.08Å; L127-L223 HydrophobicContact CD2-CD1 3.75Å; L127-L223 HydrophobicContact CG-CD1 4.42Å; L131-L223 HydrophobicContact CD1-CD2 4.16Å; L131-L223 HydrophobicContact CD2-CD2 3.67Å; L131-L223 HydrophobicContact CG-CD2 4.13Å; L153-L223 HydrophobicContact CD2-CD1 4.48Å; L153-L223 HydrophobicContact CD2-CD2 4.1Å; L153-L223 HydrophobicContact CD2-CG 4.49Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 VanDerWaalsContact O-CG 3.22Å; L219-L223 WeakPolarHBondContact O-CG 3.48Å; L219-L223 PolarHBondContact O-N 2.77Å; I220-L223 PolarHBondContact O-N 3Å; L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.24Å; L223-S226 VanDerWaalsContact O-CB 3.29Å; L223-S226 WeakPolarHBondContact O-CB 3.46Å; L223-S226 PolarHBondContact O-N 2.79Å; L223-S226 VanDerWaalsContact O-N 3.11Å; L223-N250 PolarHBondContact O-ND2 2.85Å; L223-V252 HydrophobicContact CB-CG2 3.48Å; L223-V252 VanDerWaalsContact CB-CG2 3.48Å
224Q90Very high86.3Confident66 Ų6642.8 Ų42.831%0.30822%0.215SC..Hα-helixtrans-62.9-30174.7-77.4-179.7-56.800113.4I220 R221 A222 S226 N250 V252 D253I220-Q224 HydrophobicContact CG2-CG 4.49Å; I220-Q224 WeakPolarHBondContact O-CG 3.27Å; I220-Q224 PolarHBondContact O-N 2.78Å; R221-Q224 PolarHBondContact O-N 2.81Å; A222-Q224 VanDerWaalsContact C-N 3.34Å; A222-Q224 PolarHBondContact O-N 3.29Å; Q224-S226 PolarHBondContact O-N 2.75Å; Q224-N250 VanDerWaalsContact C-ND2 3.28Å; Q224-N250 VanDerWaalsContact CA-ND2 3.29Å; Q224-N250 WeakPolarHBondContact CA-ND2 3.27Å; Q224-N250 PolarHBondContact O-ND2 2.83Å; Q224-V252 HydrophobicContact CG-CB 3.62Å; Q224-V252 HydrophobicContact CG-CG1 3.55Å; Q224-V252 HydrophobicContact CG-CG2 4.08Å; Q224-D253 PolarHBondContact NE2-OD1 3.23Å
225S85.9Confident85.4Confident57 Ų5743.2 Ų43.240%0.39923%0.227SC..Hα-helixtrans-74.7-15.8176.4780000113.6L146 R221 A222 L223L146-S225 VanDerWaalsContact CB-OG 3.26Å; L146-S225 WeakPolarHBondContact CB-OG 3.42Å; R221-S225 PolarHBondContact O-N 2.8Å; A222-S225 PolarHBondContact O-N 3Å; A222-S225 VanDerWaalsContact O-N 3.15Å; A222-S225 PolarHBondContact O-OG 3.31Å; L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 3.24Å
226S81.5Confident84.4Confident8 Ų846.9 Ų46.96%0.05625%0.249CC..  trans-74.3131.8-178.7-63.30000111.2C150 L223 Q224 N250C150-S226 PolarHBondContact SG-OG 3.36Å; L223-S226 VanDerWaalsContact O-CB 3.29Å; L223-S226 WeakPolarHBondContact O-CB 3.46Å; L223-S226 PolarHBondContact O-N 2.79Å; L223-S226 VanDerWaalsContact O-N 3.11Å; Q224-S226 PolarHBondContact O-N 2.75Å; S226-N250 PolarHBondContact O-ND2 3.03Å
227K76.9Confident83.2Confident168 Ų16848.4 Ų48.473%0.7326%0.259SS*.  trans-100.1131174.7-65.8-175.3179.8-178.70109.9
228I76.9Confident81.9Confident14 Ų1450.8 Ų50.87%0.07228%0.278CS..  trans-125.1140.4-179.9-55.3-176.6000109.2A130 I133 C134 S230 W249 P251A130-I228 HydrophobicContact CB-CD1 3.58Å; A130-I228 WeakPolarHBondContact O-CD1 3.47Å; I133-I228 HydrophobicContact CB-CG2 4.37Å; I133-I228 HydrophobicContact CG2-CG2 3.91Å; C134-I228 WeakPolarHBondContact SG-CD1 3.44Å; C134-I228 WeakPolarHBondContact SG-CG1 3.39Å; I228-S230 PolarHBondContact O-N 2.76Å; I228-W249 HydrophobicContact CB-CE3 3.74Å; I228-W249 HydrophobicContact CB-CZ3 3.84Å; I228-W249 HydrophobicContact CD1-CZ3 4Å; I228-W249 HydrophobicContact CG1-CZ3 4.46Å; I228-W249 HydrophobicContact CG2-CE3 3.97Å; I228-W249 HydrophobicContact CG2-CZ3 3.79Å; I228-W249 PolarHBondContact N-O 2.74Å; I228-P251 HydrophobicContact CD1-CG 3.75Å
229D76Confident80.6Confident85 Ų8550.9 Ų50.946%0.45528%0.279SS..  trans-71.6110169.8-170.8-27.6000109.5Q231 V232 Y233D229-Q231 PolarHBondContact O-N 3.12Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.34Å; D229-Q231 PolarHBondContact OD1-N 2.65Å; D229-V232 HydrophobicContact CB-CB 4.2Å; D229-V232 HydrophobicContact CB-CG2 3.86Å; D229-V232 PolarHBondContact O-N 2.63Å; D229-Y233 PolarHBondContact O-N 3.29Å
230S75.1Confident79Confident13 Ų1352.9 Ų52.99%0.09129%0.292CS..Hα-helixtrans-62.1-28.5-179.558.20000112.7I228 Y233 A234I228-S230 PolarHBondContact O-N 2.76Å; S230-Y233 PolarHBondContact O-N 2.92Å; S230-A234 VanDerWaalsContact O-CB 3.29Å; S230-A234 WeakPolarHBondContact O-CB 3.47Å; S230-A234 PolarHBondContact O-N 3.32Å
231Q74.8Confident77.4Confident132 Ų13257.7 Ų57.762%0.61732%0.323SS*.Hα-helixtrans-70.7-42178.5-59.7-174.4-19.400110.9D229 Y233 S235 L244D229-Q231 PolarHBondContact O-N 3.12Å; D229-Q231 WeakPolarHBondContact OD1-CB 3.34Å; D229-Q231 PolarHBondContact OD1-N 2.65Å; Q231-Y233 VanDerWaalsContact C-N 3.33Å; Q231-S235 WeakPolarHBondContact O-CB 3.46Å; Q231-S235 PolarHBondContact O-N 2.86Å; Q231-S235 VanDerWaalsContact O-N 3.08Å; Q231-S235 PolarHBondContact O-OG 3.04Å; Q231-L244 HydrophobicContact CB-CD2 4.46Å; Q231-L244 HydrophobicContact CG-CD2 4.17Å
232V77.7Confident75.9Confident59 Ų5954.7 Ų54.736%0.35832%0.318SS..Hα-helixtrans-66.7-39175.2-174.30000110.2I133 D229 S235 T236I133-V232 HydrophobicContact CD1-CG1 4.37Å; I133-V232 HydrophobicContact CG1-CG1 4.35Å; I133-V232 HydrophobicContact CG2-CB 3.79Å; I133-V232 HydrophobicContact CG2-CG1 3.48Å; I133-V232 VanDerWaalsContact CG2-CG1 3.48Å; D229-V232 HydrophobicContact CB-CB 4.2Å; D229-V232 HydrophobicContact CB-CG2 3.86Å; D229-V232 PolarHBondContact O-N 2.63Å; V232-S235 WeakPolarHBondContact CA-OG 3.32Å; V232-S235 PolarHBondContact O-OG 2.82Å; V232-T236 WeakPolarHBondContact O-CB 3.32Å; V232-T236 PolarHBondContact O-N 2.94Å; V232-T236 PolarHBondContact O-OG1 3.34Å
233Y79.4Confident74.6Confident0 Ų054.8 Ų54.80%032%0.319CS..Hα-helixtrans-64.8-50.1175.6-168.1-82.5000112.6E126 I129 A130 I133 D229 S230 Q231 S235 T236 V237 L239 F243 W249 F255E126-Y233 VanDerWaalsContact CA-OH 3.27Å; E126-Y233 WeakPolarHBondContact CA-OH 3.43Å; E126-Y233 VanDerWaalsContact CB-OH 3.25Å; E126-Y233 WeakPolarHBondContact CB-OH 3.42Å; E126-Y233 PolarHBondContact O-OH 3.42Å; E126-Y233 VanDerWaalsContact O-OH 3.12Å; I129-Y233 HydrophobicContact CB-CE2 4.24Å; I129-Y233 HydrophobicContact CG2-CD2 4.3Å; I129-Y233 HydrophobicContact CG2-CE2 3.91Å; A130-Y233 HydrophobicContact CB-CD2 4.17Å; A130-Y233 HydrophobicContact CB-CE2 3.68Å; I133-Y233 HydrophobicContact CD1-CD2 3.88Å; I133-Y233 HydrophobicContact CD1-CG 4.34Å; D229-Y233 PolarHBondContact O-N 3.29Å; S230-Y233 PolarHBondContact O-N 2.92Å; Q231-Y233 VanDerWaalsContact C-N 3.33Å; Y233-S235 VanDerWaalsContact C-N 3.3Å; Y233-S235 PolarHBondContact O-N 2.98Å; Y233-T236 PolarHBondContact O-N 3.36Å; Y233-T236 VanDerWaalsContact O-N 3.07Å; Y233-V237 HydrophobicContact CD1-CG2 4.19Å; Y233-V237 HydrophobicContact CE1-CB 4.31Å; Y233-V237 HydrophobicContact CE1-CG2 3.76Å; Y233-V237 HydrophobicContact CE2-CG2 4.4Å; Y233-V237 PolarHBondContact O-N 2.83Å; Y233-V237 VanDerWaalsContact O-N 3.1Å; Y233-L239 HydrophobicContact CD1-CD1 3.94Å; Y233-L239 HydrophobicContact CE1-CD1 3.62Å; Y233-F243 AromaticContact CD1-CE1 3.38Å; Y233-F243 HydrophobicContact CD1-CE1 3.38Å; Y233-F243 AromaticContact CD1-CZ 3.57Å; Y233-F243 HydrophobicContact CD1-CZ 3.57Å; Y233-F243 AromaticContact CE1-CE1 3.97Å; Y233-F243 HydrophobicContact CE1-CE1 3.97Å; Y233-F243 AromaticContact CE1-CZ 3.66Å; Y233-F243 HydrophobicContact CE1-CZ 3.66Å; Y233-F243 HydrophobicContact CG-CE1 4.26Å; Y233-W249 AromaticContact CD1-CH2 3.84Å; Y233-W249 HydrophobicContact CD1-CH2 3.84Å; Y233-W249 HydrophobicContact CD1-CZ2 4.2Å; Y233-W249 HydrophobicContact CD1-CZ3 4.41Å; Y233-W249 AromaticContact CD2-CH2 3.73Å; Y233-W249 HydrophobicContact CD2-CH2 3.73Å; Y233-W249 AromaticContact CD2-CZ3 3.84Å; Y233-W249 HydrophobicContact CD2-CZ3 3.84Å; Y233-W249 AromaticContact CE1-CH2 3.98Å; Y233-W249 HydrophobicContact CE1-CH2 3.98Å; Y233-W249 HydrophobicContact CE1-CZ2 4.31Å; Y233-W249 AromaticContact CE2-CH2 3.92Å; Y233-W249 HydrophobicContact CE2-CH2 3.92Å; Y233-W249 HydrophobicContact CE2-CZ3 4.41Å; Y233-W249 AromaticContact CG-CH2 3.69Å; Y233-W249 HydrophobicContact CG-CH2 3.69Å; Y233-W249 HydrophobicContact CG-CZ2 4.43Å; Y233-W249 AromaticContact CG-CZ3 3.84Å; Y233-W249 HydrophobicContact CG-CZ3 3.84Å; Y233-F255 HydrophobicContact CE1-CE2 4.16Å; Y233-F255 HydrophobicContact CE1-CZ 4.16Å
234A75.8Confident73.1Confident10 Ų1058.2 Ų58.28%0.08334%0.337CS..Hα-helixtrans-60.9-39.4-178.500000112.4S230 T236 S238 L239 F243 L244S230-A234 VanDerWaalsContact O-CB 3.29Å; S230-A234 WeakPolarHBondContact O-CB 3.47Å; S230-A234 PolarHBondContact O-N 3.32Å; A234-T236 VanDerWaalsContact C-N 3.31Å; A234-T236 PolarHBondContact O-N 3.16Å; A234-S238 WeakPolarHBondContact O-CA 3.41Å; A234-S238 PolarHBondContact O-N 3.46Å; A234-L239 PolarHBondContact O-N 3.21Å; A234-L239 VanDerWaalsContact O-N 3.14Å; A234-F243 HydrophobicContact CB-CD1 4.02Å; A234-L244 HydrophobicContact CB-CD2 3.51Å; A234-L244 HydrophobicContact CB-CG 4.38Å
235S74.1Confident71.3Confident88 Ų8860 Ų6062%0.61535%0.352SS*.Hα-helixtrans-68.8-29.1176.352.50000113.1Q231 V232 Y233Q231-S235 WeakPolarHBondContact O-CB 3.46Å; Q231-S235 PolarHBondContact O-N 2.86Å; Q231-S235 VanDerWaalsContact O-N 3.08Å; Q231-S235 PolarHBondContact O-OG 3.04Å; V232-S235 WeakPolarHBondContact CA-OG 3.32Å; V232-S235 PolarHBondContact O-OG 2.82Å; Y233-S235 VanDerWaalsContact C-N 3.3Å; Y233-S235 PolarHBondContact O-N 2.98Å
236T73.3Confident69.9Low77 Ų7760 Ų6047%0.47235%0.349SS..Hα-helixtrans-76.8-33.4178.1-54.90000112.5I129 I133 V232 Y233 A234I129-T236 HydrophobicContact CG2-CG2 3.76Å; I133-T236 HydrophobicContact CD1-CG2 4.15Å; I133-T236 WeakPolarHBondContact CD1-OG1 3.13Å; V232-T236 WeakPolarHBondContact O-CB 3.32Å; V232-T236 PolarHBondContact O-N 2.94Å; V232-T236 PolarHBondContact O-OG1 3.34Å; Y233-T236 PolarHBondContact O-N 3.36Å; Y233-T236 VanDerWaalsContact O-N 3.07Å; A234-T236 VanDerWaalsContact C-N 3.31Å; A234-T236 PolarHBondContact O-N 3.16Å
237V71.9Confident68.7Low35 Ų3565.6 Ų65.621%0.21239%0.389CS..Hα-helixtrans-1060.7-175.4-1690000112.7I129 Y233 L239 F411I129-V237 HydrophobicContact CD1-CG2 3.92Å; I129-V237 HydrophobicContact CG2-CG2 3.83Å; Y233-V237 HydrophobicContact CD1-CG2 4.19Å; Y233-V237 HydrophobicContact CE1-CB 4.31Å; Y233-V237 HydrophobicContact CE1-CG2 3.76Å; Y233-V237 HydrophobicContact CE2-CG2 4.4Å; Y233-V237 PolarHBondContact O-N 2.83Å; Y233-V237 VanDerWaalsContact O-N 3.1Å; V237-L239 VanDerWaalsContact C-N 3.29Å; V237-L239 HydrophobicContact CB-CD1 4.12Å; V237-L239 HydrophobicContact CB-CG 4.01Å; V237-L239 HydrophobicContact CG1-CD1 4.22Å; V237-L239 HydrophobicContact CG1-CD2 4.37Å; V237-L239 HydrophobicContact CG1-CG 3.99Å; V237-L239 PolarHBondContact O-N 3.39Å; V237-F411 HydrophobicContact CG1-CE2 4.4Å; V237-F411 HydrophobicContact CG1-CZ 4.4Å
238S67.7Low68.1Low111 Ų11165 Ų6578%0.77639%0.389SS*.THydrogen-bonded Turntrans54.341.2-176.1-56.30000113.5A234A234-S238 WeakPolarHBondContact O-CA 3.41Å; A234-S238 PolarHBondContact O-N 3.46Å
239L67.7Low67.9Low31 Ų3164.5 Ų64.516%0.16239%0.386CS..  trans-78.6153.3-178.9-73170.3000112.4Y233 A234 V237 F243 F421Y233-L239 HydrophobicContact CD1-CD1 3.94Å; Y233-L239 HydrophobicContact CE1-CD1 3.62Å; A234-L239 PolarHBondContact O-N 3.21Å; A234-L239 VanDerWaalsContact O-N 3.14Å; V237-L239 VanDerWaalsContact C-N 3.29Å; V237-L239 HydrophobicContact CB-CD1 4.12Å; V237-L239 HydrophobicContact CB-CG 4.01Å; V237-L239 HydrophobicContact CG1-CD1 4.22Å; V237-L239 HydrophobicContact CG1-CD2 4.37Å; V237-L239 HydrophobicContact CG1-CG 3.99Å; V237-L239 PolarHBondContact O-N 3.39Å; L239-F243 HydrophobicContact CB-CB 4.24Å; L239-F243 HydrophobicContact CB-CD1 4.37Å; L239-F243 HydrophobicContact CB-CG 4.19Å; L239-F243 HydrophobicContact CD1-CD1 3.94Å; L239-F243 HydrophobicContact CD1-CD2 3.96Å; L239-F243 HydrophobicContact CD1-CE1 3.68Å; L239-F243 HydrophobicContact CD1-CE2 3.64Å; L239-F243 HydrophobicContact CD1-CG 4.01Å; L239-F243 HydrophobicContact CD1-CZ 3.4Å; L239-F243 VanDerWaalsContact CD1-CZ 3.4Å; L239-F421 HydrophobicContact CD2-CE1 4.3Å; L239-F421 HydrophobicContact CD2-CZ 4.28Å
240P63.3Low68.3Low45 Ų4560.8 Ų60.829%0.29237%0.366SS..  trans-61.9154.2-179.618-26000112.8S242 F243 F421 P426P240-S242 PolarHBondContact O-N 2.94Å; P240-S242 VanDerWaalsContact O-N 3.08Å; P240-F243 WeakPolarHBondContact O-CB 3.44Å; P240-F243 PolarHBondContact O-N 3.23Å; P240-F421 HydrophobicContact CG-CE2 3.91Å; P240-F421 HydrophobicContact CG-CZ 4.19Å; P240-P426 HydrophobicContact CG-CG 4.24Å
241P61.2Low68.7Low105 Ų10560.3 Ų60.368%0.68236%0.363SS*.G310 helixtrans-58.3-27.1-176-24.533.2000114.7F243 L244P241-F243 PolarHBondContact O-N 3.36Å; P241-F243 VanDerWaalsContact O-N 3.12Å; P241-L244 VanDerWaalsContact O-CB 3.28Å; P241-L244 WeakPolarHBondContact O-CB 3.38Å; P241-L244 WeakPolarHBondContact O-CG 3.44Å; P241-L244 PolarHBondContact O-N 2.77Å
242S62.3Low69.5Low40 Ų4054 Ų5428%0.2833%0.334SS..G310 helixtrans-57-24175.450.10000113.2P240 L244 T245 A423P240-S242 PolarHBondContact O-N 2.94Å; P240-S242 VanDerWaalsContact O-N 3.08Å; S242-L244 PolarHBondContact O-N 3.45Å; S242-T245 WeakPolarHBondContact O-CG2 3.24Å; S242-T245 PolarHBondContact O-OG1 2.88Å; S242-A423 WeakPolarHBondContact CB-O 3.01Å; S242-A423 PolarHBondContact OG-O 3.39Å
243F64.2Low70.1Confident4 Ų454.6 Ų54.62%0.01834%0.335CS..G310 helixtrans-64.3-22.1175.3-165.5-105.5000113.9Y233 A234 L239 P240 P241 T245 W249 F255 P426Y233-F243 AromaticContact CD1-CE1 3.38Å; Y233-F243 HydrophobicContact CD1-CE1 3.38Å; Y233-F243 AromaticContact CD1-CZ 3.57Å; Y233-F243 HydrophobicContact CD1-CZ 3.57Å; Y233-F243 AromaticContact CE1-CE1 3.97Å; Y233-F243 HydrophobicContact CE1-CE1 3.97Å; Y233-F243 AromaticContact CE1-CZ 3.66Å; Y233-F243 HydrophobicContact CE1-CZ 3.66Å; Y233-F243 HydrophobicContact CG-CE1 4.26Å; A234-F243 HydrophobicContact CB-CD1 4.02Å; L239-F243 HydrophobicContact CB-CB 4.24Å; L239-F243 HydrophobicContact CB-CD1 4.37Å; L239-F243 HydrophobicContact CB-CG 4.19Å; L239-F243 HydrophobicContact CD1-CD1 3.94Å; L239-F243 HydrophobicContact CD1-CD2 3.96Å; L239-F243 HydrophobicContact CD1-CE1 3.68Å; L239-F243 HydrophobicContact CD1-CE2 3.64Å; L239-F243 HydrophobicContact CD1-CG 4.01Å; L239-F243 HydrophobicContact CD1-CZ 3.4Å; L239-F243 VanDerWaalsContact CD1-CZ 3.4Å; P240-F243 WeakPolarHBondContact O-CB 3.44Å; P240-F243 PolarHBondContact O-N 3.23Å; P241-F243 PolarHBondContact O-N 3.36Å; P241-F243 VanDerWaalsContact O-N 3.12Å; F243-T245 VanDerWaalsContact C-N 3.28Å; F243-T245 PolarHBondContact O-N 2.67Å; F243-W249 HydrophobicContact CE1-CD2 4.46Å; F243-W249 AromaticContact CE1-CE2 3.57Å; F243-W249 HydrophobicContact CE1-CH2 4.36Å; F243-W249 AromaticContact CE1-CZ2 3.62Å; F243-W249 HydrophobicContact CE1-CZ2 3.62Å; F243-W249 AromaticContact CE1-NE1 3.5Å; F243-W249 AromaticContact CE2-CZ2 3.97Å; F243-W249 HydrophobicContact CE2-CZ2 3.97Å; F243-W249 AromaticContact CE2-NE1 3.78Å; F243-W249 AromaticContact CZ-CE2 3.41Å; F243-W249 VanDerWaalsContact CZ-CE2 3.41Å; F243-W249 HydrophobicContact CZ-CH2 4.02Å; F243-W249 AromaticContact CZ-CZ2 3.1Å; F243-W249 HydrophobicContact CZ-CZ2 3.1Å; F243-W249 AromaticContact CZ-NE1 3.41Å; F243-F255 HydrophobicContact CE2-CZ 4.1Å; F243-F255 HydrophobicContact CZ-CE2 4.39Å; F243-F255 HydrophobicContact CZ-CZ 4.12Å; F243-P426 HydrophobicContact CB-CG 4.05Å; F243-P426 HydrophobicContact CD2-CB 3.66Å; F243-P426 HydrophobicContact CD2-CG 3.89Å; F243-P426 HydrophobicContact CE2-CB 4.32Å; F243-P426 HydrophobicContact CG-CG 4.48Å
244L58.7Low70.5Confident75 Ų7557.1 Ų57.139%0.39334%0.344SS..G310 helixtrans-81.711.9-167.5-63.2172.3000115.3Q231 A234 P241 S242 T246Q231-L244 HydrophobicContact CB-CD2 4.46Å; Q231-L244 HydrophobicContact CG-CD2 4.17Å; A234-L244 HydrophobicContact CB-CD2 3.51Å; A234-L244 HydrophobicContact CB-CG 4.38Å; P241-L244 VanDerWaalsContact O-CB 3.28Å; P241-L244 WeakPolarHBondContact O-CB 3.38Å; P241-L244 WeakPolarHBondContact O-CG 3.44Å; P241-L244 PolarHBondContact O-N 2.77Å; S242-L244 PolarHBondContact O-N 3.45Å; L244-T246 PolarHBondContact O-N 3.06Å
245T53.9Low71.3Confident104 Ų10457.2 Ų57.264%0.63834%0.343SS*.  trans-96.510.4-155.351.40000117.2S242 F243S242-T245 WeakPolarHBondContact O-CG2 3.24Å; S242-T245 PolarHBondContact O-OG1 2.88Å; F243-T245 VanDerWaalsContact C-N 3.28Å; F243-T245 PolarHBondContact O-N 2.67Å
246T55.6Low72.4Confident55 Ų5553.2 Ų53.234%0.33731%0.314SS..  trans-135.9133.4-177.630.20000114.3L244 Q248 R254L244-T246 PolarHBondContact O-N 3.06Å; T246-Q248 PolarHBondContact O-N 3.19Å; T246-R254 PolarHBondContact OG1-NH2 3.45Å
247S56.6Low73.4Confident127 Ų12750 Ų5089%0.88829%0.294SS*.SBendtrans-72.8-1.4177.453.40000114.2
248Q63.3Low74.6Confident154 Ų15448.3 Ų48.372%0.7228%0.284SS*.SBendtrans-139.364.3178.3-64.4-178.34.700108.9T246T246-Q248 PolarHBondContact O-N 3.19Å
249W73Confident75.9Confident4 Ų446.3 Ų46.32%0.01526%0.263CS..  trans-82.7123.6-178.4-170.593.3000110.4I228 Y233 F243 P251 R254 F255I228-W249 HydrophobicContact CB-CE3 3.74Å; I228-W249 HydrophobicContact CB-CZ3 3.84Å; I228-W249 HydrophobicContact CD1-CZ3 4Å; I228-W249 HydrophobicContact CG1-CZ3 4.46Å; I228-W249 HydrophobicContact CG2-CE3 3.97Å; I228-W249 HydrophobicContact CG2-CZ3 3.79Å; I228-W249 PolarHBondContact N-O 2.74Å; Y233-W249 AromaticContact CD1-CH2 3.84Å; Y233-W249 HydrophobicContact CD1-CH2 3.84Å; Y233-W249 HydrophobicContact CD1-CZ2 4.2Å; Y233-W249 HydrophobicContact CD1-CZ3 4.41Å; Y233-W249 AromaticContact CD2-CH2 3.73Å; Y233-W249 HydrophobicContact CD2-CH2 3.73Å; Y233-W249 AromaticContact CD2-CZ3 3.84Å; Y233-W249 HydrophobicContact CD2-CZ3 3.84Å; Y233-W249 AromaticContact CE1-CH2 3.98Å; Y233-W249 HydrophobicContact CE1-CH2 3.98Å; Y233-W249 HydrophobicContact CE1-CZ2 4.31Å; Y233-W249 AromaticContact CE2-CH2 3.92Å; Y233-W249 HydrophobicContact CE2-CH2 3.92Å; Y233-W249 HydrophobicContact CE2-CZ3 4.41Å; Y233-W249 AromaticContact CG-CH2 3.69Å; Y233-W249 HydrophobicContact CG-CH2 3.69Å; Y233-W249 HydrophobicContact CG-CZ2 4.43Å; Y233-W249 AromaticContact CG-CZ3 3.84Å; Y233-W249 HydrophobicContact CG-CZ3 3.84Å; F243-W249 HydrophobicContact CE1-CD2 4.46Å; F243-W249 AromaticContact CE1-CE2 3.57Å; F243-W249 HydrophobicContact CE1-CH2 4.36Å; F243-W249 AromaticContact CE1-CZ2 3.62Å; F243-W249 HydrophobicContact CE1-CZ2 3.62Å; F243-W249 AromaticContact CE1-NE1 3.5Å; F243-W249 AromaticContact CE2-CZ2 3.97Å; F243-W249 HydrophobicContact CE2-CZ2 3.97Å; F243-W249 AromaticContact CE2-NE1 3.78Å; F243-W249 AromaticContact CZ-CE2 3.41Å; F243-W249 VanDerWaalsContact CZ-CE2 3.41Å; F243-W249 HydrophobicContact CZ-CH2 4.02Å; F243-W249 AromaticContact CZ-CZ2 3.1Å; F243-W249 HydrophobicContact CZ-CZ2 3.1Å; F243-W249 AromaticContact CZ-NE1 3.41Å; W249-P251 HydrophobicContact CH2-CB 3.86Å; W249-P251 HydrophobicContact CZ3-CB 4.25Å; W249-R254 HydrophobicContact CZ2-CB 4.3Å; W249-R254 HydrophobicContact CZ2-CG 4.02Å; W249-F255 HydrophobicContact CH2-CE2 4.17Å; W249-F255 AromaticContact CZ2-CE2 3.93Å; W249-F255 HydrophobicContact CZ2-CE2 3.93Å
250N83.9Confident77.3Confident7 Ų745.6 Ų45.64%0.03726%0.259CS..  trans-126.9134.5175.7-176.9-76.4000110.3L223 Q224 S226 V252 D253 R254L223-N250 PolarHBondContact O-ND2 2.85Å; Q224-N250 VanDerWaalsContact C-ND2 3.28Å; Q224-N250 VanDerWaalsContact CA-ND2 3.29Å; Q224-N250 WeakPolarHBondContact CA-ND2 3.27Å; Q224-N250 PolarHBondContact O-ND2 2.83Å; S226-N250 PolarHBondContact O-ND2 3.03Å; N250-V252 PolarHBondContact O-N 3.3Å; N250-V252 WeakPolarHBondContact OD1-CA 3.3Å; N250-V252 VanDerWaalsContact OD1-CB 3.23Å; N250-V252 WeakPolarHBondContact OD1-CB 3.4Å; N250-V252 PolarHBondContact OD1-N 3.16Å; N250-D253 HydrophobicContact CB-CB 4.19Å; N250-D253 PolarHBondContact O-N 2.92Å; N250-D253 PolarHBondContact OD1-N 3.07Å; N250-R254 VanDerWaalsContact O-CG 3.32Å; N250-R254 WeakPolarHBondContact O-CG 3.47Å; N250-R254 PolarHBondContact O-N 3.43Å
251P85Confident79Confident4 Ų445.2 Ų45.23%0.02626%0.257CS..Hα-helixtrans-66.7-35.2-176.627.8-37000112.7L127 A130 I228 W249 R254 F255L127-P251 HydrophobicContact CD1-CB 4.42Å; L127-P251 HydrophobicContact CD1-CG 4.2Å; A130-P251 HydrophobicContact CB-CB 3.58Å; A130-P251 HydrophobicContact CB-CG 3.69Å; I228-P251 HydrophobicContact CD1-CG 3.75Å; W249-P251 HydrophobicContact CH2-CB 3.86Å; W249-P251 HydrophobicContact CZ3-CB 4.25Å; P251-R254 PolarHBondContact O-N 3.39Å; P251-F255 HydrophobicContact CB-CD2 4.33Å; P251-F255 WeakPolarHBondContact O-CB 3.25Å; P251-F255 VanDerWaalsContact O-CD2 3.26Å; P251-F255 WeakPolarHBondContact O-CD2 3.3Å; P251-F255 PolarHBondContact O-N 2.92Å
252V91.3Very high80.6Confident0 Ų040.3 Ų40.30%023%0.225CC..Hα-helixtrans-64.1-49.6176.3-178.70000109.5I220 L223 Q224 N250 R254 F255 L256 T257 T281I220-V252 HydrophobicContact CG2-CG1 3.79Å; L223-V252 HydrophobicContact CB-CG2 3.48Å; L223-V252 VanDerWaalsContact CB-CG2 3.48Å; Q224-V252 HydrophobicContact CG-CB 3.62Å; Q224-V252 HydrophobicContact CG-CG1 3.55Å; Q224-V252 HydrophobicContact CG-CG2 4.08Å; N250-V252 PolarHBondContact O-N 3.3Å; N250-V252 WeakPolarHBondContact OD1-CA 3.3Å; N250-V252 VanDerWaalsContact OD1-CB 3.23Å; N250-V252 WeakPolarHBondContact OD1-CB 3.4Å; N250-V252 PolarHBondContact OD1-N 3.16Å; V252-R254 PolarHBondContact O-N 3.3Å; V252-F255 PolarHBondContact O-N 3.11Å; V252-L256 HydrophobicContact CG1-CB 3.87Å; V252-L256 HydrophobicContact CG1-CD1 4.25Å; V252-L256 HydrophobicContact CG2-CD1 4.4Å; V252-L256 CarbonylContact O-C 3.59Å; V252-L256 WeakPolarHBondContact O-CA 3.4Å; V252-L256 WeakPolarHBondContact O-CB 3.43Å; V252-L256 PolarHBondContact O-N 2.78Å; V252-T257 PolarHBondContact O-N 3.26Å; V252-T257 PolarHBondContact O-OG1 3.43Å; V252-T281 HydrophobicContact CG1-CG2 4.11Å
253D89.9Confident82.1Confident71 Ų7143 Ų4338%0.3823%0.232SC..Hα-helixtrans-61.1-24.2-178.7-65.4-24.5000113Q224 N250 T257Q224-D253 PolarHBondContact NE2-OD1 3.23Å; N250-D253 HydrophobicContact CB-CB 4.19Å; N250-D253 PolarHBondContact O-N 2.92Å; N250-D253 PolarHBondContact OD1-N 3.07Å; D253-T257 WeakPolarHBondContact CA-OG1 3.35Å; D253-T257 PolarHBondContact OD1-OG1 3.1Å
254R88.6Confident83.5Confident52 Ų5244.1 Ų44.120%0.19624%0.238CC..Hα-helixtrans-86.8-53.3177.4-66.3-66.8179.3-173.5-3.1113.2T246 W249 N250 P251 V252 R327 G427T246-R254 PolarHBondContact OG1-NH2 3.45Å; W249-R254 HydrophobicContact CZ2-CB 4.3Å; W249-R254 HydrophobicContact CZ2-CG 4.02Å; N250-R254 VanDerWaalsContact O-CG 3.32Å; N250-R254 WeakPolarHBondContact O-CG 3.47Å; N250-R254 PolarHBondContact O-N 3.43Å; P251-R254 PolarHBondContact O-N 3.39Å; V252-R254 PolarHBondContact O-N 3.3Å; R254-R327 PolarHBondContact O-NH1 3.44Å; R254-R327 VanDerWaalsContact O-NH1 3.12Å; R254-R327 PolarHBondContact O-NH2 2.81Å; R254-R327 VanDerWaalsContact O-NH2 3.11Å; R254-G427 CarbonylContact O-C 3.44Å
255F92.7Very high85.1Confident12 Ų1245 Ų455%0.05324%0.236CC..Hα-helixtrans-97.3-21.5-167.2-64.6-70.4000114.2E126 Y233 F243 W249 P251 V252 A330 Y331 G427E126-F255 HydrophobicContact CB-CD1 4.33Å; E126-F255 HydrophobicContact CB-CD2 3.93Å; E126-F255 HydrophobicContact CB-CE1 4.29Å; E126-F255 HydrophobicContact CB-CE2 3.88Å; E126-F255 HydrophobicContact CB-CG 4.18Å; E126-F255 HydrophobicContact CB-CZ 4.07Å; E126-F255 HydrophobicContact CG-CD1 4.09Å; E126-F255 HydrophobicContact CG-CD2 4.49Å; E126-F255 HydrophobicContact CG-CE1 3.8Å; E126-F255 HydrophobicContact CG-CE2 4.22Å; E126-F255 HydrophobicContact CG-CG 4.44Å; E126-F255 HydrophobicContact CG-CZ 3.88Å; Y233-F255 HydrophobicContact CE1-CE2 4.16Å; Y233-F255 HydrophobicContact CE1-CZ 4.16Å; F243-F255 HydrophobicContact CE2-CZ 4.1Å; F243-F255 HydrophobicContact CZ-CE2 4.39Å; F243-F255 HydrophobicContact CZ-CZ 4.12Å; W249-F255 HydrophobicContact CH2-CE2 4.17Å; W249-F255 AromaticContact CZ2-CE2 3.93Å; W249-F255 HydrophobicContact CZ2-CE2 3.93Å; P251-F255 HydrophobicContact CB-CD2 4.33Å; P251-F255 WeakPolarHBondContact O-CB 3.25Å; P251-F255 VanDerWaalsContact O-CD2 3.26Å; P251-F255 WeakPolarHBondContact O-CD2 3.3Å; P251-F255 PolarHBondContact O-N 2.92Å; V252-F255 PolarHBondContact O-N 3.11Å; F255-A330 HydrophobicContact CD1-CB 4.09Å; F255-A330 PolarHBondContact O-N 2.8Å; F255-Y331 HydrophobicContact CB-CD2 4.15Å; F255-Y331 PolarHBondContact O-N 3.46Å; F255-G427 VanDerWaalsContact CD1-CA 3.47Å; F255-G427 VanDerWaalsContact CE1-CA 3.49Å
256L95.6Very high86.7Confident4 Ų440.8 Ų40.82%0.02121%0.211CC..THydrogen-bonded Turntrans-120-14.8-173.4-74.4160.2000113.4I124 I220 V252 L494I124-L256 HydrophobicContact CD1-CD1 4.22Å; I124-L256 HydrophobicContact CD1-CD2 4Å; I220-L256 HydrophobicContact CD1-CD1 4Å; V252-L256 HydrophobicContact CG1-CB 3.87Å; V252-L256 HydrophobicContact CG1-CD1 4.25Å; V252-L256 HydrophobicContact CG2-CD1 4.4Å; V252-L256 CarbonylContact O-C 3.59Å; V252-L256 WeakPolarHBondContact O-CA 3.4Å; V252-L256 WeakPolarHBondContact O-CB 3.43Å; V252-L256 PolarHBondContact O-N 2.78Å; L256-L494 HydrophobicContact CD2-CD1 4.49Å
257T95.7Very high88.3Confident9 Ų942 Ų426%0.05522%0.218CC..  trans-98.3119.9-178-58.90000112.3V252 D253 T279 F280 T281 R327V252-T257 PolarHBondContact O-N 3.26Å; V252-T257 PolarHBondContact O-OG1 3.43Å; D253-T257 WeakPolarHBondContact CA-OG1 3.35Å; D253-T257 PolarHBondContact OD1-OG1 3.1Å; T257-T279 HydrophobicContact CG2-CG2 4.18Å; T257-F280 CarbonylContact C-O 3.48Å; T257-F280 VanDerWaalsContact CA-O 3.27Å; T257-F280 WeakPolarHBondContact CA-O 3.32Å; T257-T281 WeakPolarHBondContact OG1-CG2 3.47Å; T257-R327 PolarHBondContact O-NH1 3.33Å
258G95.7Very high89.8Confident0 Ų039.7 Ų39.70%019%0.193CC..EExtended strand (participates in β ladder)trans-94.4175.4168.900000113T279 F280 R327G258-T279 WeakPolarHBondContact O-CA 3.46Å; G258-F280 VanDerWaalsContact C-CE1 3.48Å; G258-F280 PolarHBondContact N-O 2.96Å; G258-F280 PolarHBondContact O-N 3.23Å; G258-R327 VanDerWaalsContact CA-O 3.28Å; G258-R327 WeakPolarHBondContact CA-O 3.48Å
259Q96.8Very high90.7Very high69 Ų6933.5 Ų33.532%0.32217%0.167SC..EExtended strand (participates in β ladder)trans-126.5142.9174.2-64.9178-16.400111.3L277 E278 T279 I325 S326 R327Q259-L277 HydrophobicContact CB-CD1 4.48Å; Q259-E278 CarbonylContact C-O 3.53Å; Q259-E278 VanDerWaalsContact CA-O 3.31Å; Q259-E278 WeakPolarHBondContact CA-O 3.45Å; Q259-T279 HydrophobicContact CG-CG2 4.08Å; Q259-I325 WeakPolarHBondContact O-CA 3.32Å; Q259-S326 VanDerWaalsContact CB-OG 3.32Å; Q259-S326 WeakPolarHBondContact CB-OG 3.49Å; Q259-S326 PolarHBondContact O-N 3.16Å; Q259-S326 PolarHBondContact O-OG 3.44Å; Q259-R327 HydrophobicContact CB-CB 3.76Å; Q259-R327 HydrophobicContact CG-CB 4Å; Q259-R327 PolarHBondContact N-O 2.65Å; Q259-R327 PolarHBondContact O-N 2.92Å
260L97Very high91.2Very high17 Ų1741.9 Ų41.99%0.08921%0.212CC..EExtended strand (participates in β ladder)trans-116.6130.4176.3-65.5166.8000109.4L277 E278 F280 L302 L324 I325L260-L277 WeakPolarHBondContact O-CA 3.34Å; L260-E278 HydrophobicContact CB-CB 4.42Å; L260-E278 PolarHBondContact N-O 2.98Å; L260-E278 PolarHBondContact O-N 3.26Å; L260-F280 HydrophobicContact CD1-CD1 3.84Å; L260-F280 HydrophobicContact CD1-CE1 4.44Å; L260-F280 HydrophobicContact CD1-CG 4.48Å; L260-F280 HydrophobicContact CD2-CD1 4.18Å; L260-F280 HydrophobicContact CD2-CE1 3.94Å; L260-F280 HydrophobicContact CG-CD1 3.59Å; L260-F280 HydrophobicContact CG-CE1 3.8Å; L260-L302 HydrophobicContact CD2-CD2 3.64Å; L260-L324 CarbonylContact C-O 2.92Å; L260-L324 WeakPolarHBondContact CA-O 3.28Å; L260-I325 HydrophobicContact CD2-CB 4.46Å; L260-I325 HydrophobicContact CD2-CG1 3.69Å
261S97.2Very high91.2Very high36 Ų3642.9 Ų42.925%0.25222%0.217SC..EExtended strand (participates in β ladder)trans-89.4109162.2-175.20000108S323 L324S261-S323 WeakPolarHBondContact O-CA 3.44Å; S261-L324 PolarHBondContact N-O 3.3Å; S261-L324 PolarHBondContact O-N 2.95Å
262C95.8Very high91.3Very high2 Ų248 Ų481%0.01425%0.25CS..EExtended strand (participates in β ladder)trans-102.8123.8-176.5-64.90000110.1D275 S276 S323C262-D275 CarbonylContact O-C 3.59Å; C262-D275 WeakPolarHBondContact O-CA 3.45Å; C262-S276 WeakPolarHBondContact CB-OG 3.25Å; C262-S276 PolarHBondContact N-O 2.93Å; C262-S276 PolarHBondContact O-N 3.43Å; C262-S276 PolarHBondContact O-OG 2.84Å; C262-S323 PolarHBondContact SG-OG 3.33Å
263K94.5Very high91.1Very high97 Ų9753 Ų5342%0.42227%0.273SS..EExtended strand (participates in β ladder)trans-104.7129.1172-57.5-155.6166.3-172.10110D275 R321 E322K263-D275 WeakPolarHBondContact CE-OD1 3.43Å; K263-D275 VanDerWaalsContact CG-OD1 3.32Å; K263-D275 WeakPolarHBondContact CG-OD1 3.3Å; K263-R321 WeakPolarHBondContact O-CA 3.38Å; K263-E322 PolarHBondContact N-O 3.13Å; K263-E322 PolarHBondContact O-N 3.31Å
264L92.8Very high91.2Very high27 Ų2753.7 Ų53.714%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-117.4119.7176.9-169.570.7000110.1E273 T274 L306 Y319 R321L264-E273 WeakPolarHBondContact O-CA 3.3Å; L264-T274 PolarHBondContact N-O 3.31Å; L264-T274 PolarHBondContact O-N 2.67Å; L264-L306 HydrophobicContact CD1-CD2 3.44Å; L264-L306 VanDerWaalsContact CD1-CD2 3.44Å; L264-L306 HydrophobicContact CD1-CG 4.31Å; L264-L306 HydrophobicContact CD2-CD2 4.14Å; L264-L306 HydrophobicContact CG-CD2 4.46Å; L264-Y319 HydrophobicContact CD1-CG 4.42Å; L264-Y319 HydrophobicContact CD2-CD1 4.14Å; L264-Y319 HydrophobicContact CD2-CG 4.39Å; L264-Y319 HydrophobicContact CG-CD1 3.96Å; L264-Y319 HydrophobicContact CG-CG 4.27Å; L264-R321 HydrophobicContact CD1-CB 3.95Å; L264-R321 HydrophobicContact CD1-CG 4.44Å
265R91.6Very high91.4Very high95 Ų9556.1 Ų56.136%0.35830%0.297SS..EExtended strand (participates in β ladder)trans-125139178.269.6-176.8-169.7-172.93.7111E273 Y319 K320 E322R265-E273 HydrophobicContact CB-CG 3.89Å; R265-Y319 CarbonylContact O-C 3.54Å; R265-Y319 VanDerWaalsContact O-CA 3.25Å; R265-Y319 WeakPolarHBondContact O-CA 3.34Å; R265-K320 HydrophobicContact CG-CB 4Å; R265-K320 PolarHBondContact N-O 3Å; R265-K320 PolarHBondContact O-N 2.79Å; R265-E322 IonicContact NH2-OE1 3.66Å
266C88.8Confident91.5Very high15 Ų1558 Ų5810%0.10131%0.311CS..EExtended strand (participates in β ladder)trans-72.4137.6171.8-1670000109.2E268 S269 E271 Y319C266-E268 PolarHBondContact SG-N 3.19Å; C266-S269 PolarHBondContact SG-OG 3.05Å; C266-E271 HydrophobicContact CB-CG 3.94Å; C266-Y319 HydrophobicContact CB-CD1 3.84Å; C266-Y319 HydrophobicContact CB-CE1 3.57Å
267T89.2Confident91.5Very high79 Ų7963 Ų6349%0.48534%0.338SS..SBendtrans-89.5-12.3174.655.90000113V318 K320T267-V318 PolarHBondContact N-O 2.93Å; T267-V318 PolarHBondContact OG1-O 2.77Å; T267-K320 HydrophobicContact CG2-CB 3.85Å
268E87.4Confident91.5Very high79 Ų7966.1 Ų66.137%0.36935%0.352SS..SBendtrans-109-10.1-173.3-65.4-179.9-117.400113.5C266 L313 R315 A317 V318C266-E268 PolarHBondContact SG-N 3.19Å; E268-L313 HydrophobicContact CB-CD1 3.9Å; E268-R315 IonicContact OE2-CZ 2.67Å; E268-R315 IonicContact OE2-NH1 3.24Å; E268-R315 PolarHBondContact OE2-NH1 2.97Å; E268-R315 IonicContact OE2-NH2 3.14Å; E268-R315 PolarHBondContact OE2-NH2 3.22Å; E268-A317 WeakPolarHBondContact OE1-CA 3.28Å; E268-V318 PolarHBondContact OE1-N 3.24Å
269S82.6Confident91.4Very high25 Ų2570.9 Ų70.918%0.17538%0.381CS..SBendtrans-149.1154.8-178.844.80000111.6C266 E271C266-S269 PolarHBondContact SG-OG 3.05Å; S269-E271 PolarHBondContact O-N 3.32Å; S269-E271 WeakPolarHBondContact OG-CG 3.46Å; S269-E271 PolarHBondContact OG-OE1 3.18Å
270D83Confident91.4Very high179 Ų17968.5 Ų68.596%0.95737%0.369SS*.  trans-82.943.1177.6-63.9-40.8000112.4
271E83.7Confident91.3Very high29 Ų2969.3 Ų69.314%0.13638%0.375CS..PPolyproline II helixtrans-69.8149.9176.1-30.8-168.4162.200110C266 S269 E273 S310 L312 Y319C266-E271 HydrophobicContact CB-CG 3.94Å; S269-E271 PolarHBondContact O-N 3.32Å; S269-E271 WeakPolarHBondContact OG-CG 3.46Å; S269-E271 PolarHBondContact OG-OE1 3.18Å; E271-E273 PolarHBondContact O-N 3.47Å; E271-S310 WeakPolarHBondContact OE1-CB 3.31Å; E271-S310 PolarHBondContact OE1-OG 2.91Å; E271-L312 HydrophobicContact CB-CD1 3.79Å; E271-L312 HydrophobicContact CG-CD1 3.46Å; E271-L312 VanDerWaalsContact CG-CD1 3.46Å; E271-Y319 PolarHBondContact OE2-OH 3.03Å
272P86.5Confident91.2Very high112 Ų11269.3 Ų69.373%0.72737%0.371SS*.PPolyproline II helixtrans-59.613617525.7-34.1000110.8
273E89.2Confident91.2Very high104 Ų10469.7 Ų69.749%0.48637%0.373SS..PPolyproline II helixtrans-61.8141.7174.9-58.2-169.7154.100110.2L264 R265 E271L264-E273 WeakPolarHBondContact O-CA 3.3Å; R265-E273 HydrophobicContact CB-CG 3.89Å; E271-E273 PolarHBondContact O-N 3.47Å
274T90Very high91.1Very high86 Ų8667.2 Ų67.253%0.52837%0.368SS..EExtended strand (participates in β ladder)trans-105119.7174.9-54.80000109.4L264L264-T274 PolarHBondContact N-O 3.31Å; L264-T274 PolarHBondContact O-N 2.67Å
275D93.8Very high91.1Very high103 Ų10365.9 Ų65.955%0.55136%0.361SS*.EExtended strand (participates in β ladder)trans-91.6138.9172-66.3-40.5000110.3C262 K263C262-D275 CarbonylContact O-C 3.59Å; C262-D275 WeakPolarHBondContact O-CA 3.45Å; K263-D275 WeakPolarHBondContact CE-OD1 3.43Å; K263-D275 VanDerWaalsContact CG-OD1 3.32Å; K263-D275 WeakPolarHBondContact CG-OD1 3.3Å
276S94.6Very high90.9Very high50 Ų5065.1 Ų65.135%0.3536%0.361SS..EExtended strand (participates in β ladder)trans-143.5152.7175.852.40000110.8C262C262-S276 WeakPolarHBondContact CB-OG 3.25Å; C262-S276 PolarHBondContact N-O 2.93Å; C262-S276 PolarHBondContact O-N 3.43Å; C262-S276 PolarHBondContact O-OG 2.84Å
277L95.4Very high90.5Very high111 Ų11165.2 Ų65.258%0.58136%0.36SS*.EExtended strand (participates in β ladder)trans-111.9123.5175.9-167.479.4000108.7Q259 L260Q259-L277 HydrophobicContact CB-CD1 4.48Å; L260-L277 WeakPolarHBondContact O-CA 3.34Å
278E95Very high89.8Confident74 Ų7466.7 Ų66.735%0.34636%0.361SS..EExtended strand (participates in β ladder)trans-119.8154.9179.8-64.8177.7-171.100110Q259 L260 R321Q259-E278 CarbonylContact C-O 3.53Å; Q259-E278 VanDerWaalsContact CA-O 3.31Å; Q259-E278 WeakPolarHBondContact CA-O 3.45Å; L260-E278 HydrophobicContact CB-CB 4.42Å; L260-E278 PolarHBondContact N-O 2.98Å; L260-E278 PolarHBondContact O-N 3.26Å; E278-R321 IonicContact OE2-NH1 2.74Å
279T95.4Very high89.2Confident99 Ų9972.4 Ų72.461%0.60739%0.388SS*.EExtended strand (participates in β ladder)trans-109.9152.9172.653.60000110.5T257 G258 Q259T257-T279 HydrophobicContact CG2-CG2 4.18Å; G258-T279 WeakPolarHBondContact O-CA 3.46Å; Q259-T279 HydrophobicContact CG-CG2 4.08Å
280F95.8Very high89Confident19 Ų1976.3 Ų76.38%0.08341%0.407CS..EExtended strand (participates in β ladder)trans-142.1143.5174.968-85.7000110.9T257 G258 L260 L283 L332T257-F280 CarbonylContact C-O 3.48Å; T257-F280 VanDerWaalsContact CA-O 3.27Å; T257-F280 WeakPolarHBondContact CA-O 3.32Å; G258-F280 VanDerWaalsContact C-CE1 3.48Å; G258-F280 PolarHBondContact N-O 2.96Å; G258-F280 PolarHBondContact O-N 3.23Å; L260-F280 HydrophobicContact CD1-CD1 3.84Å; L260-F280 HydrophobicContact CD1-CE1 4.44Å; L260-F280 HydrophobicContact CD1-CG 4.48Å; L260-F280 HydrophobicContact CD2-CD1 4.18Å; L260-F280 HydrophobicContact CD2-CE1 3.94Å; L260-F280 HydrophobicContact CG-CD1 3.59Å; L260-F280 HydrophobicContact CG-CE1 3.8Å; F280-L283 HydrophobicContact CD1-CD2 4.38Å; F280-L283 HydrophobicContact CD2-CD2 3.54Å; F280-L283 HydrophobicContact CD2-CG 3.85Å; F280-L283 HydrophobicContact CE1-CD2 4.32Å; F280-L283 HydrophobicContact CE2-CD1 4.18Å; F280-L283 HydrophobicContact CE2-CD2 3.51Å; F280-L283 HydrophobicContact CE2-CG 3.58Å; F280-L283 HydrophobicContact CG-CD2 3.99Å; F280-L283 HydrophobicContact CZ-CD2 3.91Å; F280-L283 HydrophobicContact CZ-CG 4.26Å; F280-L332 HydrophobicContact CE2-CD1 3.83Å; F280-L332 HydrophobicContact CZ-CD1 4.45Å
281T95.8Very high89.2Confident35 Ų3567.8 Ų67.822%0.21536%0.361CS..SBendtrans-102.2-13.6169.851.80000112.3I220 V252 T257I220-T281 HydrophobicContact CG2-CG2 3.96Å; V252-T281 HydrophobicContact CG1-CG2 4.11Å; T257-T281 WeakPolarHBondContact OG1-CG2 3.47Å
282Q94.9Very high89.5Confident35 Ų3573.2 Ų73.216%0.16438%0.384CS..SBendtrans-150.3133.4-176.9-173.4169.951.200110.1C333 H335Q282-C333 WeakPolarHBondContact CA-O 3.43Å; Q282-C333 HydrophobicContact CB-CB 4.47Å; Q282-C333 HydrophobicContact CG-CB 4.35Å; Q282-C333 PolarHBondContact NE2-SG 3.43Å; Q282-H335 HydrophobicContact CG-CB 3.89Å
283L95.4Very high89.8Confident10 Ų1074.5 Ų74.55%0.05238%0.375CS..EExtended strand (participates in β ladder)trans-91.3139.3170.2-66.4-179.3000110.1F280 I298 I325 L332 C333 I334 H335 M363F280-L283 HydrophobicContact CD1-CD2 4.38Å; F280-L283 HydrophobicContact CD2-CD2 3.54Å; F280-L283 HydrophobicContact CD2-CG 3.85Å; F280-L283 HydrophobicContact CE1-CD2 4.32Å; F280-L283 HydrophobicContact CE2-CD1 4.18Å; F280-L283 HydrophobicContact CE2-CD2 3.51Å; F280-L283 HydrophobicContact CE2-CG 3.58Å; F280-L283 HydrophobicContact CG-CD2 3.99Å; F280-L283 HydrophobicContact CZ-CD2 3.91Å; F280-L283 HydrophobicContact CZ-CG 4.26Å; L283-I298 HydrophobicContact CD1-CG2 4.36Å; L283-I325 HydrophobicContact CD1-CD1 4.37Å; L283-L332 HydrophobicContact CD1-CD1 3.83Å; L283-L332 HydrophobicContact CD1-CD2 4.37Å; L283-L332 HydrophobicContact CD1-CG 4.49Å; L283-L332 HydrophobicContact CG-CD1 4.15Å; L283-C333 PolarHBondContact N-O 2.66Å; L283-I334 HydrophobicContact CB-CG1 4.38Å; L283-I334 CarbonylContact O-C 3.48Å; L283-I334 WeakPolarHBondContact O-CA 3.25Å; L283-H335 PolarHBondContact O-N 2.94Å; L283-M363 HydrophobicContact CD1-CE 3.88Å
284S92.8Very high90Very high45 Ų4569.6 Ų69.632%0.31535%0.353SS..EExtended strand (participates in β ladder)trans-94.2127.8176.3-66.10000110.8
285C92Very high90.2Very high0 Ų067.9 Ų67.90%034%0.339CS..EExtended strand (participates in β ladder)trans-99.199170.9174.90000109.2L294 I334 H335 F336 V337C285-L294 HydrophobicContact CB-CD1 3.94Å; C285-I334 HydrophobicContact CB-CG2 4.04Å; C285-H335 PolarHBondContact N-O 3.43Å; C285-F336 HydrophobicContact CB-CD1 4Å; C285-F336 HydrophobicContact CB-CE1 4.29Å; C285-V337 PolarHBondContact O-N 3.45Å
286F86.9Confident90.1Very high79 Ų7964.7 Ų64.735%0.34632%0.324SS..  trans-79.8120.2178.4-64.2-82.5000110.8H288 V337F286-H288 PolarHBondContact O-N 3.29Å; F286-V337 HydrophobicContact CD1-CB 4.43Å; F286-V337 HydrophobicContact CD1-CG2 4.24Å; F286-V337 HydrophobicContact CE1-CG2 4.16Å
287M80.6Confident90Very high16 Ų1662.3 Ų62.38%0.07931%0.307CS..  trans-95.768.1-174.7-63.6167.9-69.900111.7F336 V337 R338 I351 V355M287-F336 HydrophobicContact CE-CB 4.12Å; M287-F336 HydrophobicContact CG-CD1 4.39Å; M287-F336 HydrophobicContact SD-CB 4.25Å; M287-F336 HydrophobicContact SD-CD1 3.82Å; M287-F336 HydrophobicContact SD-CG 4.47Å; M287-V337 WeakPolarHBondContact CE-O 3.44Å; M287-R338 VanDerWaalsContact CE-CA 3.43Å; M287-R338 HydrophobicContact CE-CB 3.93Å; M287-R338 HydrophobicContact CE-CG 3.24Å; M287-R338 HydrophobicContact SD-CG 3.91Å; M287-I351 HydrophobicContact CB-CG2 4.38Å; M287-I351 HydrophobicContact CE-CB 4.43Å; M287-I351 HydrophobicContact CE-CD1 4.42Å; M287-V355 HydrophobicContact CG-CG2 3.9Å; M287-V355 HydrophobicContact SD-CG2 3.91Å
288H76Confident89.9Confident111 Ų11157.1 Ų57.151%0.51428%0.28SS..  trans-65.3172.7170.6-68.5-71000112F286 D290 V291 K353F286-H288 PolarHBondContact O-N 3.29Å; H288-D290 PolarHBondContact O-N 2.85Å; H288-D290 VanDerWaalsContact O-N 3.12Å; H288-V291 HydrophobicContact CB-CG2 4.34Å; H288-V291 PolarHBondContact O-N 3.38Å; H288-K353 PolarHBondContact O-NZ 3.36Å
289Q73.2Confident89.8Confident199 Ų19958.5 Ų58.593%0.9328%0.282SS*.THydrogen-bonded Turntrans-59.8-26.9-169.6-67.6-179.72.100113.9K353Q289-K353 PolarHBondContact O-NZ 3.33Å
290D80.3Confident89.6Confident107 Ų10756 Ų5657%0.57227%0.265SS*.THydrogen-bonded Turntrans-93.4-17.4-176.460.9-30.5000114.9H288 K292H288-D290 PolarHBondContact O-N 2.85Å; H288-D290 VanDerWaalsContact O-N 3.12Å; D290-K292 PolarHBondContact O-N 2.96Å
291V85.8Confident89.3Confident0 Ų056.1 Ų56.10%027%0.271CS..  trans-71.9108.7-174.6178.70000112.5H288 Y293 T296 N300 K353 V355H288-V291 HydrophobicContact CB-CG2 4.34Å; H288-V291 PolarHBondContact O-N 3.38Å; V291-Y293 WeakPolarHBondContact CG1-O 3.38Å; V291-T296 HydrophobicContact CG2-CG2 4.19Å; V291-N300 WeakPolarHBondContact CG2-ND2 3Å; V291-K353 VanDerWaalsContact N-NZ 3.14Å; V291-K353 WeakPolarHBondContact O-CE 3.26Å; V291-K353 PolarHBondContact O-NZ 2.76Å; V291-V355 HydrophobicContact CG1-CG1 4.41Å
292K90.2Very high89.1Confident142 Ų14254.9 Ų54.962%0.61726%0.263SS*.  trans-102.6-22.8173.7-66.5-176.6-178.8179.70113.8D290 V355 K356D290-K292 PolarHBondContact O-N 2.96Å; K292-V355 WeakPolarHBondContact O-CA 3.45Å; K292-K356 PolarHBondContact O-N 3.29Å
293Y93.5Very high89Confident140 Ų14056.1 Ų56.155%0.54927%0.273SS..BIsolated β-bridgetrans-124.7146.2-175.3-60.3-80.4000110V291 I295 T296 G297 K356V291-Y293 WeakPolarHBondContact CG1-O 3.38Å; Y293-I295 PolarHBondContact O-N 2.92Å; Y293-T296 WeakPolarHBondContact O-CB 3.5Å; Y293-T296 PolarHBondContact O-N 2.91Å; Y293-T296 VanDerWaalsContact O-N 3.08Å; Y293-G297 PolarHBondContact O-N 3.22Å; Y293-K356 WeakPolarHBondContact CA-O 3.44Å; Y293-K356 HydrophobicContact CD1-CB 3.89Å; Y293-K356 HydrophobicContact CE1-CB 4.18Å; Y293-K356 HydrophobicContact CE1-CG 4.44Å
294L93.6Very high88.7Confident1 Ų157 Ų571%0.00529%0.285CS..Hα-helixtrans-49.5-46.4177.2178.562.6000112.2C285 T296 G297 I298 I334 F336 K356 F357 L361 L493 Y495C285-L294 HydrophobicContact CB-CD1 3.94Å; L294-T296 VanDerWaalsContact C-N 3.29Å; L294-T296 PolarHBondContact O-N 2.88Å; L294-G297 WeakPolarHBondContact O-CA 3.45Å; L294-G297 PolarHBondContact O-N 2.89Å; L294-I298 HydrophobicContact CD1-CD1 4.34Å; L294-I298 HydrophobicContact CD1-CG1 4.36Å; L294-I298 HydrophobicContact CD2-CD1 4.45Å; L294-I298 HydrophobicContact CG-CD1 3.93Å; L294-I298 HydrophobicContact CG-CG1 4.37Å; L294-I298 WeakPolarHBondContact O-CG1 3.11Å; L294-I298 PolarHBondContact O-N 3.37Å; L294-I334 HydrophobicContact CD1-CG2 3.81Å; L294-I334 HydrophobicContact CD2-CD1 4.01Å; L294-F336 HydrophobicContact CD1-CE1 3.75Å; L294-F336 HydrophobicContact CD1-CZ 3.69Å; L294-K356 PolarHBondContact N-O 3.39Å; L294-F357 HydrophobicContact CB-CB 4Å; L294-F357 HydrophobicContact CD2-CB 3.78Å; L294-F357 HydrophobicContact CG-CB 4.41Å; L294-L361 HydrophobicContact CD2-CD1 4.32Å; L294-L361 HydrophobicContact CD2-CD2 4.39Å; L294-L493 HydrophobicContact CD1-CD1 4.38Å; L294-L493 HydrophobicContact CD2-CD1 3.8Å; L294-Y495 HydrophobicContact CD2-CE2 4.02Å
295I93.1Very high88.6Confident49 Ų4960.6 Ų60.625%0.25130%0.301SS..Hα-helixtrans-54.1-44.3179.7-69.9177.4000111.7Y293 G297 I298 R299 L361 E365 F366Y293-I295 PolarHBondContact O-N 2.92Å; I295-G297 VanDerWaalsContact C-N 3.32Å; I295-G297 PolarHBondContact O-N 3.41Å; I295-I298 PolarHBondContact O-N 3.39Å; I295-R299 PolarHBondContact O-N 3.17Å; I295-L361 HydrophobicContact CG1-CD1 4.07Å; I295-E365 WeakPolarHBondContact CG2-OE1 3.44Å; I295-F366 HydrophobicContact CG2-CE2 4.16Å; I295-F366 HydrophobicContact CG2-CZ 3.78Å; I295-F366 WeakPolarHBondContact O-CZ 3.4Å
296T92.3Very high88.5Confident37 Ų3763.7 Ų63.723%0.22732%0.317CS..Hα-helixtrans-64.5-38.9177.7-46.10000111.3V291 Y293 L294 R299 N300V291-T296 HydrophobicContact CG2-CG2 4.19Å; Y293-T296 WeakPolarHBondContact O-CB 3.5Å; Y293-T296 PolarHBondContact O-N 2.91Å; Y293-T296 VanDerWaalsContact O-N 3.08Å; L294-T296 VanDerWaalsContact C-N 3.29Å; L294-T296 PolarHBondContact O-N 2.88Å; T296-R299 PolarHBondContact O-N 2.79Å; T296-N300 VanDerWaalsContact O-CG 3.3Å; T296-N300 PolarHBondContact O-N 2.83Å; T296-N300 VanDerWaalsContact O-N 3.1Å; T296-N300 PolarHBondContact O-OD1 2.9Å
297G92.4Very high88.6Confident0 Ų064.6 Ų64.60%033%0.329CS..Hα-helixtrans-69-35.8177.700000113.5Y293 L294 I295 G301Y293-G297 PolarHBondContact O-N 3.22Å; L294-G297 WeakPolarHBondContact O-CA 3.45Å; L294-G297 PolarHBondContact O-N 2.89Å; I295-G297 VanDerWaalsContact C-N 3.32Å; I295-G297 PolarHBondContact O-N 3.41Å; G297-G301 PolarHBondContact O-N 2.85Å; G297-G301 VanDerWaalsContact O-N 3.16Å
298I93.8Very high88.9Confident2 Ų269.4 Ų69.41%0.0135%0.35CS..Hα-helixtrans-65.4-46.3172.6-64.7169.8000110.2L283 L294 I295 N300 G301 L302 I334 M363 F366L283-I298 HydrophobicContact CD1-CG2 4.36Å; L294-I298 HydrophobicContact CD1-CD1 4.34Å; L294-I298 HydrophobicContact CD1-CG1 4.36Å; L294-I298 HydrophobicContact CD2-CD1 4.45Å; L294-I298 HydrophobicContact CG-CD1 3.93Å; L294-I298 HydrophobicContact CG-CG1 4.37Å; L294-I298 WeakPolarHBondContact O-CG1 3.11Å; L294-I298 PolarHBondContact O-N 3.37Å; I295-I298 PolarHBondContact O-N 3.39Å; I298-N300 VanDerWaalsContact C-N 3.27Å; I298-N300 PolarHBondContact O-N 2.88Å; I298-G301 WeakPolarHBondContact O-CA 3.38Å; I298-G301 PolarHBondContact O-N 2.78Å; I298-L302 HydrophobicContact CG2-CD1 3.97Å; I298-L302 HydrophobicContact CG2-CG 4.4Å; I298-L302 PolarHBondContact O-N 2.85Å; I298-I334 HydrophobicContact CD1-CD1 3.9Å; I298-M363 HydrophobicContact CD1-SD 4.31Å; I298-M363 HydrophobicContact CG2-CE 4.34Å; I298-F366 HydrophobicContact CB-CE2 4.5Å; I298-F366 HydrophobicContact CB-CZ 4.17Å; I298-F366 HydrophobicContact CG2-CD1 4.34Å; I298-F366 HydrophobicContact CG2-CD2 4.35Å; I298-F366 HydrophobicContact CG2-CE1 4.12Å; I298-F366 HydrophobicContact CG2-CE2 4.15Å; I298-F366 HydrophobicContact CG2-CG 4.43Å; I298-F366 HydrophobicContact CG2-CZ 4.02Å
299R92.7Very high89.5Confident103 Ų10368.5 Ų68.539%0.38935%0.345SS..Hα-helixtrans-54.6-46.3177.3-168175-67.31290.3111.3I295 T296 G301 L302 T303 E365 F366I295-R299 PolarHBondContact O-N 3.17Å; T296-R299 PolarHBondContact O-N 2.79Å; R299-G301 VanDerWaalsContact C-N 3.25Å; R299-G301 PolarHBondContact O-N 3.17Å; R299-L302 PolarHBondContact O-N 2.99Å; R299-T303 PolarHBondContact O-N 3.3Å; R299-T303 VanDerWaalsContact O-N 3.17Å; R299-T303 PolarHBondContact O-OG1 3.25Å; R299-E365 IonicContact CZ-OE2 2.82Å; R299-E365 IonicContact NH2-OE1 2.78Å; R299-E365 PolarHBondContact NH2-OE1 2.84Å; R299-E365 IonicContact NH2-OE2 3.27Å; R299-E365 PolarHBondContact NH2-OE2 2.93Å; R299-F366 HydrophobicContact CB-CE1 3.79Å; R299-F366 HydrophobicContact CB-CZ 4.35Å; R299-F366 HydrophobicContact CG-CE1 4.25Å
300N90.6Very high90Very high47 Ų4759 Ų5925%0.25130%0.301SS..Hα-helixtrans-65.1-27177.2-68.6-1.1000113V291 T296 I298V291-N300 WeakPolarHBondContact CG2-ND2 3Å; T296-N300 VanDerWaalsContact O-CG 3.3Å; T296-N300 PolarHBondContact O-N 2.83Å; T296-N300 VanDerWaalsContact O-N 3.1Å; T296-N300 PolarHBondContact O-OD1 2.9Å; I298-N300 VanDerWaalsContact C-N 3.27Å; I298-N300 PolarHBondContact O-N 2.88Å
301G89.2Confident90.2Very high20 Ų2058.9 Ų58.921%0.20631%0.309CS..Hα-helixtrans-77.1-27.617400000114.1G297 I298 R299G297-G301 PolarHBondContact O-N 2.85Å; G297-G301 VanDerWaalsContact O-N 3.16Å; I298-G301 WeakPolarHBondContact O-CA 3.38Å; I298-G301 PolarHBondContact O-N 2.78Å; R299-G301 VanDerWaalsContact C-N 3.25Å; R299-G301 PolarHBondContact O-N 3.17Å
302L92.9Very high90.1Very high10 Ų1064.6 Ų64.65%0.05234%0.339CS..Hα-helixtrans-85.7-16.2179.1-68.6175.3000113.4L260 I298 R299 S323 F366L260-L302 HydrophobicContact CD2-CD2 3.64Å; I298-L302 HydrophobicContact CG2-CD1 3.97Å; I298-L302 HydrophobicContact CG2-CG 4.4Å; I298-L302 PolarHBondContact O-N 2.85Å; R299-L302 PolarHBondContact O-N 2.99Å; L302-S323 WeakPolarHBondContact O-CB 3.45Å; L302-S323 PolarHBondContact O-N 2.79Å; L302-F366 HydrophobicContact CD1-CB 3.91Å; L302-F366 HydrophobicContact CD1-CD1 3.49Å; L302-F366 VanDerWaalsContact CD1-CD1 3.49Å; L302-F366 HydrophobicContact CD1-CE1 4.27Å; L302-F366 HydrophobicContact CD1-CG 3.92Å
303T91.5Very high89.9Confident60 Ų6060.6 Ų60.637%0.36832%0.324SS..EExtended strand (participates in β ladder)trans-121.7129.8176.463.10000110.6R299 R321 E322R299-T303 PolarHBondContact O-N 3.3Å; R299-T303 VanDerWaalsContact O-N 3.17Å; R299-T303 PolarHBondContact O-OG1 3.25Å; T303-R321 WeakPolarHBondContact CA-O 2.94Å; T303-E322 HydrophobicContact CG2-CG 4.45Å
304G89.1Confident89.5Confident30 Ų3060.2 Ų60.231%0.30933%0.331SS..EExtended strand (participates in β ladder)trans-155.6168.6178.900000112.9R321G304-R321 PolarHBondContact N-O 2.84Å; G304-R321 PolarHBondContact O-N 2.95Å
305N91.1Very high89.4Confident119 Ų11966.3 Ų66.364%0.63635%0.354SS*.EExtended strand (participates in β ladder)trans-109.2138.3171.9-64.9-25.8000108.7V318 Y319N305-V318 HydrophobicContact CB-CG1 3.89Å; N305-Y319 CarbonylContact C-O 3.52Å; N305-Y319 VanDerWaalsContact CA-O 3.3Å; N305-Y319 WeakPolarHBondContact CA-O 3.36Å
306L89.3Confident89.2Confident65 Ų6569.1 Ų69.134%0.3437%0.369SS..EExtended strand (participates in β ladder)trans-127.2140.1174.796.791.9000109.1L264 K308 Y319L264-L306 HydrophobicContact CD1-CD2 3.44Å; L264-L306 VanDerWaalsContact CD1-CD2 3.44Å; L264-L306 HydrophobicContact CD1-CG 4.31Å; L264-L306 HydrophobicContact CD2-CD2 4.14Å; L264-L306 HydrophobicContact CG-CD2 4.46Å; L306-K308 HydrophobicContact CD1-CB 3.72Å; L306-Y319 PolarHBondContact N-O 3.49Å; L306-Y319 PolarHBondContact O-N 3.04Å
307T88.8Confident89.1Confident99 Ų9967.3 Ų67.361%0.60736%0.359SS*.EExtended strand (participates in β ladder)trans-95.5122.1175.5-56.70000109.1N316 A317T307-N316 HydrophobicContact CG2-CB 3.82Å; T307-A317 WeakPolarHBondContact CA-O 3.49Å
308K88.4Confident89Confident116 Ų11669.5 Ų69.550%0.50437%0.372SS..EExtended strand (participates in β ladder)trans-137.3150.8178.6-175.9-178.3174.3-171.80109.5L306 S310 N316 A317 Y319L306-K308 HydrophobicContact CD1-CB 3.72Å; K308-S310 PolarHBondContact O-N 3.41Å; K308-N316 WeakPolarHBondContact O-CA 3.38Å; K308-A317 PolarHBondContact N-O 2.98Å; K308-A317 PolarHBondContact O-N 3.09Å; K308-A317 VanDerWaalsContact O-O 3.09Å; K308-Y319 HydrophobicContact CB-CD2 3.91Å; K308-Y319 HydrophobicContact CB-CE2 3.91Å
309H87.1Confident88.9Confident92 Ų9270.2 Ų70.243%0.42638%0.375SS..EExtended strand (participates in β ladder)trans-64.2119.9170.9-175.684.7000110.3D314 N316H309-D314 VanDerWaalsContact CE1-C 3.48Å; H309-D314 IonicContact CE1-OD1 3.64Å; H309-D314 IonicContact NE2-OD1 2.68Å; H309-N316 WeakPolarHBondContact CA-OD1 3.46Å; H309-N316 PolarHBondContact N-OD1 3.21Å
310S85.5Confident89Confident0 Ų068.3 Ų68.30%037%0.369CS..EExtended strand (participates in β ladder)trans-87.8125.2171.2158.60000108.7E271 K308 L312 L313 D314 R315 Y319E271-S310 WeakPolarHBondContact OE1-CB 3.31Å; E271-S310 PolarHBondContact OE1-OG 2.91Å; K308-S310 PolarHBondContact O-N 3.41Å; S310-L312 PolarHBondContact O-N 3.28Å; S310-L312 PolarHBondContact OG-N 3.2Å; S310-L313 PolarHBondContact OG-N 2.91Å; S310-D314 WeakPolarHBondContact O-CA 2.99Å; S310-D314 PolarHBondContact O-N 2.7Å; S310-R315 PolarHBondContact N-O 3.27Å; S310-Y319 WeakPolarHBondContact CA-OH 3.38Å; S310-Y319 WeakPolarHBondContact CB-OH 3.38Å
311S83.8Confident89.1Confident105 Ų10570.2 Ų70.273%0.73437%0.373SS*.THydrogen-bonded Turntrans-70.7-19.8173.953.20000113.3
312L84.3Confident89.4Confident120 Ų12072.4 Ų72.463%0.62838%0.378SS*.THydrogen-bonded Turntrans-84.1-35.7178.8-75.9164.7000111.9E271 S310E271-L312 HydrophobicContact CB-CD1 3.79Å; E271-L312 HydrophobicContact CG-CD1 3.46Å; E271-L312 VanDerWaalsContact CG-CD1 3.46Å; S310-L312 PolarHBondContact O-N 3.28Å; S310-L312 PolarHBondContact OG-N 3.2Å
313L84.8Confident89.6Confident58 Ų5872.2 Ų72.230%0.30438%0.377SS..THydrogen-bonded Turntrans-93.1-8.6177.8-62.3175.2000113.2E268 S310 R315 A317E268-L313 HydrophobicContact CB-CD1 3.9Å; S310-L313 PolarHBondContact OG-N 2.91Å; L313-R315 HydrophobicContact CB-CG 3.95Å; L313-R315 PolarHBondContact O-N 2.72Å; L313-R315 VanDerWaalsContact O-N 3.13Å; L313-A317 HydrophobicContact CD1-CB 4Å
314D85.5Confident89.9Confident131 Ų13172.8 Ų72.870%0.70138%0.377SS*.THydrogen-bonded Turntrans48.934.7-174.5-162.928.2000113.3H309 S310H309-D314 VanDerWaalsContact CE1-C 3.48Å; H309-D314 IonicContact CE1-OD1 3.64Å; H309-D314 IonicContact NE2-OD1 2.68Å; S310-D314 WeakPolarHBondContact O-CA 2.99Å; S310-D314 PolarHBondContact O-N 2.7Å
315R90.7Very high90.3Very high130 Ų13071.4 Ų71.449%0.49136%0.363SS..EExtended strand (participates in β ladder)trans-153.5166178.968.5-171.5179.697.69.2110.5E268 S310 L313 A317E268-R315 IonicContact OE2-CZ 2.67Å; E268-R315 IonicContact OE2-NH1 3.24Å; E268-R315 PolarHBondContact OE2-NH1 2.97Å; E268-R315 IonicContact OE2-NH2 3.14Å; E268-R315 PolarHBondContact OE2-NH2 3.22Å; S310-R315 PolarHBondContact N-O 3.27Å; L313-R315 HydrophobicContact CB-CG 3.95Å; L313-R315 PolarHBondContact O-N 2.72Å; L313-R315 VanDerWaalsContact O-N 3.13Å; R315-A317 PolarHBondContact O-N 3.03Å
316N90.5Very high90.5Very high107 Ų10767.3 Ų67.357%0.57234%0.343SS*.EExtended strand (participates in β ladder)trans-64.6125170.3-74.3-22.7000109.9T307 K308 H309T307-N316 HydrophobicContact CG2-CB 3.82Å; K308-N316 WeakPolarHBondContact O-CA 3.38Å; H309-N316 WeakPolarHBondContact CA-OD1 3.46Å; H309-N316 PolarHBondContact N-OD1 3.21Å
317A89Confident90.8Very high0 Ų065.3 Ų65.30%033%0.331CS..EExtended strand (participates in β ladder)trans-122.1156.3177.400000110E268 T307 K308 L313 R315 Y319E268-A317 WeakPolarHBondContact OE1-CA 3.28Å; T307-A317 WeakPolarHBondContact CA-O 3.49Å; K308-A317 PolarHBondContact N-O 2.98Å; K308-A317 PolarHBondContact O-N 3.09Å; K308-A317 VanDerWaalsContact O-O 3.09Å; L313-A317 HydrophobicContact CD1-CB 4Å; R315-A317 PolarHBondContact O-N 3.03Å; A317-Y319 HydrophobicContact CB-CE2 4.18Å
318V91.3Very high91.2Very high46 Ų4660.7 Ų60.728%0.27930%0.303SS..EExtended strand (participates in β ladder)trans-86.6127175.4-176.20000109.6T267 E268 N305T267-V318 PolarHBondContact N-O 2.93Å; T267-V318 PolarHBondContact OG1-O 2.77Å; E268-V318 PolarHBondContact OE1-N 3.24Å; N305-V318 HydrophobicContact CB-CG1 3.89Å
319Y91.8Very high91.6Very high17 Ų1755.2 Ų55.27%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-110.1135.5172.4-67.9-104000109.6L264 R265 C266 E271 N305 L306 K308 S310 A317L264-Y319 HydrophobicContact CD1-CG 4.42Å; L264-Y319 HydrophobicContact CD2-CD1 4.14Å; L264-Y319 HydrophobicContact CD2-CG 4.39Å; L264-Y319 HydrophobicContact CG-CD1 3.96Å; L264-Y319 HydrophobicContact CG-CG 4.27Å; R265-Y319 CarbonylContact O-C 3.54Å; R265-Y319 VanDerWaalsContact O-CA 3.25Å; R265-Y319 WeakPolarHBondContact O-CA 3.34Å; C266-Y319 HydrophobicContact CB-CD1 3.84Å; C266-Y319 HydrophobicContact CB-CE1 3.57Å; E271-Y319 PolarHBondContact OE2-OH 3.03Å; N305-Y319 CarbonylContact C-O 3.52Å; N305-Y319 VanDerWaalsContact CA-O 3.3Å; N305-Y319 WeakPolarHBondContact CA-O 3.36Å; L306-Y319 PolarHBondContact N-O 3.49Å; L306-Y319 PolarHBondContact O-N 3.04Å; K308-Y319 HydrophobicContact CB-CD2 3.91Å; K308-Y319 HydrophobicContact CB-CE2 3.91Å; S310-Y319 WeakPolarHBondContact CA-OH 3.38Å; S310-Y319 WeakPolarHBondContact CB-OH 3.38Å; A317-Y319 HydrophobicContact CB-CE2 4.18Å
320K93.4Very high92Very high62 Ų6251 Ų5127%0.2726%0.261SS..EExtended strand (participates in β ladder)trans-89.5122.8171.6-165.9-174.9-171-162.90108.8R265 T267 E322R265-K320 HydrophobicContact CG-CB 4Å; R265-K320 PolarHBondContact N-O 3Å; R265-K320 PolarHBondContact O-N 2.79Å; T267-K320 HydrophobicContact CG2-CB 3.85Å; K320-E322 HydrophobicContact CD-CG 4.39Å; K320-E322 WeakPolarHBondContact CD-OE1 3.2Å; K320-E322 WeakPolarHBondContact CE-OE1 3.42Å; K320-E322 HydrophobicContact CG-CG 4.41Å; K320-E322 IonicContact NZ-OE1 3.87Å; K320-E322 PolarHBondContact NZ-OE1 3.24Å
321R93.9Very high92.6Very high87 Ų8751.3 Ų51.333%0.32826%0.262SS..EExtended strand (participates in β ladder)trans-100.7123.7173.4-170.6178.377.6161.52.7109.3K263 L264 E278 T303 G304K263-R321 WeakPolarHBondContact O-CA 3.38Å; L264-R321 HydrophobicContact CD1-CB 3.95Å; L264-R321 HydrophobicContact CD1-CG 4.44Å; E278-R321 IonicContact OE2-NH1 2.74Å; T303-R321 WeakPolarHBondContact CA-O 2.94Å; G304-R321 PolarHBondContact N-O 2.84Å; G304-R321 PolarHBondContact O-N 2.95Å
322E95Very high93.2Very high67 Ų6746.3 Ų46.331%0.31323%0.227SC..EExtended strand (participates in β ladder)trans-122.3121.3173.3-66.2-178175.200108.9K263 R265 T303 K320K263-E322 PolarHBondContact N-O 3.13Å; K263-E322 PolarHBondContact O-N 3.31Å; R265-E322 IonicContact NH2-OE1 3.66Å; T303-E322 HydrophobicContact CG2-CG 4.45Å; K320-E322 HydrophobicContact CD-CG 4.39Å; K320-E322 WeakPolarHBondContact CD-OE1 3.2Å; K320-E322 WeakPolarHBondContact CE-OE1 3.42Å; K320-E322 HydrophobicContact CG-CG 4.41Å; K320-E322 IonicContact NZ-OE1 3.87Å; K320-E322 PolarHBondContact NZ-OE1 3.24Å
323S96.7Very high93.9Very high5 Ų540.7 Ų40.74%0.03520%0.197CC..EExtended strand (participates in β ladder)trans-113.8130.3-178-57.80000110.1S261 C262 L302S261-S323 WeakPolarHBondContact O-CA 3.44Å; C262-S323 PolarHBondContact SG-OG 3.33Å; L302-S323 WeakPolarHBondContact O-CB 3.45Å; L302-S323 PolarHBondContact O-N 2.79Å
324L97.3Very high94.4Very high73 Ų7337.9 Ų37.938%0.38218%0.183SC..EExtended strand (participates in β ladder)trans-118.5144172.6-67.6176000109.5L260 S261 S326 T368L260-L324 CarbonylContact C-O 2.92Å; L260-L324 WeakPolarHBondContact CA-O 3.28Å; S261-L324 PolarHBondContact N-O 3.3Å; S261-L324 PolarHBondContact O-N 2.95Å; L324-S326 PolarHBondContact O-N 2.9Å; L324-T368 HydrophobicContact CB-CG2 3.71Å
325I97.6Very high94.9Very high0 Ų032.8 Ų32.80%016%0.155CC..EExtended strand (participates in β ladder)trans-76118.2-179.7-59.3171.4000109.3Q259 L260 L283 R327 L328 M363 F366 C367 T368 L371Q259-I325 WeakPolarHBondContact O-CA 3.32Å; L260-I325 HydrophobicContact CD2-CB 4.46Å; L260-I325 HydrophobicContact CD2-CG1 3.69Å; L283-I325 HydrophobicContact CD1-CD1 4.37Å; I325-R327 WeakPolarHBondContact CG2-O 3.36Å; I325-L328 HydrophobicContact CD1-CD2 4.15Å; I325-L328 HydrophobicContact CG2-CD2 3.75Å; I325-L328 HydrophobicContact CG2-CG 3.95Å; I325-M363 HydrophobicContact CD1-CE 3.48Å; I325-M363 VanDerWaalsContact CD1-CE 3.48Å; I325-F366 HydrophobicContact CD1-CB 3.93Å; I325-F366 HydrophobicContact CG1-CB 4.46Å; I325-F366 PolarHBondContact N-O 2.95Å; I325-C367 CarbonylContact O-C 3.44Å; I325-C367 VanDerWaalsContact O-CA 3.25Å; I325-C367 WeakPolarHBondContact O-CA 3.47Å; I325-T368 PolarHBondContact O-N 2.86Å; I325-L371 HydrophobicContact CG2-CD2 4.38Å; I325-L371 WeakPolarHBondContact O-CD2 3.38Å
326S96.7Very high95Very high33 Ų3326.6 Ų26.623%0.23113%0.131CC..EExtended strand (participates in β ladder)trans-95.9-22.1176.855.80000112.8Q259 L324Q259-S326 VanDerWaalsContact CB-OG 3.32Å; Q259-S326 WeakPolarHBondContact CB-OG 3.49Å; Q259-S326 PolarHBondContact O-N 3.16Å; Q259-S326 PolarHBondContact O-OG 3.44Å; L324-S326 PolarHBondContact O-N 2.9Å
327R95.7Very high95Very high23 Ų2323.4 Ų23.49%0.08712%0.116CC..EExtended strand (participates in β ladder)trans-141.2127.1172.9-173.8-167.4-176.4-96.3-5.1110.8R254 T257 G258 Q259 I325 D425R254-R327 PolarHBondContact O-NH1 3.44Å; R254-R327 VanDerWaalsContact O-NH1 3.12Å; R254-R327 PolarHBondContact O-NH2 2.81Å; R254-R327 VanDerWaalsContact O-NH2 3.11Å; T257-R327 PolarHBondContact O-NH1 3.33Å; G258-R327 VanDerWaalsContact CA-O 3.28Å; G258-R327 WeakPolarHBondContact CA-O 3.48Å; Q259-R327 HydrophobicContact CB-CB 3.76Å; Q259-R327 HydrophobicContact CG-CB 4Å; Q259-R327 PolarHBondContact N-O 2.65Å; Q259-R327 PolarHBondContact O-N 2.92Å; I325-R327 WeakPolarHBondContact CG2-O 3.36Å; R327-D425 IonicContact CZ-OD1 3.52Å; R327-D425 IonicContact CZ-OD2 3.35Å; R327-D425 IonicContact NE-OD1 3.43Å; R327-D425 PolarHBondContact NE-OD1 3.38Å; R327-D425 IonicContact NE-OD2 2.69Å; R327-D425 PolarHBondContact NE-OD2 2.8Å; R327-D425 IonicContact NH2-OD1 2.77Å; R327-D425 PolarHBondContact NH2-OD1 3.29Å; R327-D425 IonicContact NH2-OD2 3.24Å; R327-D425 PolarHBondContact NH2-OD2 3.46Å
328L97.2Very high94.7Very high2 Ų223.4 Ų23.41%0.0112%0.116CC..  trans-94.6128.2174.5-80174.3000111.2I325 M363 L371 L375 S428 N429 Y434I325-L328 HydrophobicContact CD1-CD2 4.15Å; I325-L328 HydrophobicContact CG2-CD2 3.75Å; I325-L328 HydrophobicContact CG2-CG 3.95Å; L328-M363 HydrophobicContact CD1-CB 4.37Å; L328-M363 HydrophobicContact CD2-CB 3.99Å; L328-M363 HydrophobicContact CD2-CG 4.47Å; L328-L371 HydrophobicContact CD1-CD2 4.35Å; L328-L371 HydrophobicContact CG-CD2 4.1Å; L328-L375 HydrophobicContact CD1-CD1 4.11Å; L328-L375 HydrophobicContact CD1-CD2 4.49Å; L328-S428 VanDerWaalsContact O-CA 3.26Å; L328-S428 WeakPolarHBondContact O-CA 3.43Å; L328-S428 WeakPolarHBondContact O-CB 3.31Å; L328-N429 HydrophobicContact CB-CB 4.07Å; L328-N429 PolarHBondContact O-N 3.12Å; L328-N429 VanDerWaalsContact O-N 3.09Å; L328-Y434 WeakPolarHBondContact CB-OH 3.19Å; L328-Y434 HydrophobicContact CD1-CE2 4.39Å; L328-Y434 HydrophobicContact CD2-CE2 4.06Å
329P96.4Very high94.3Very high1 Ų122.6 Ų22.61%0.00611%0.108CC..BIsolated β-bridgetrans-75.5158.3174.631.4-33.5000111.5Y331 L332 Y434P329-Y331 VanDerWaalsContact C-N 3.26Å; P329-Y331 WeakPolarHBondContact CG-O 3.36Å; P329-Y331 PolarHBondContact O-N 3.09Å; P329-L332 HydrophobicContact CG-CD1 4.19Å; P329-Y434 VanDerWaalsContact O-CE1 3.27Å; P329-Y434 WeakPolarHBondContact O-CE1 3.29Å; P329-Y434 PolarHBondContact O-OH 3.1Å
330A95.3Very high93.7Very high4 Ų425.6 Ų25.63%0.03312%0.122CC..SBendtrans-58.3-40.7172.900000112F255 G427 Y434 P497F255-A330 HydrophobicContact CD1-CB 4.09Å; F255-A330 PolarHBondContact O-N 2.8Å; A330-G427 WeakPolarHBondContact CB-O 3.16Å; A330-G427 PolarHBondContact N-O 2.9Å; A330-Y434 WeakPolarHBondContact O-CE1 3.44Å; A330-P497 VanDerWaalsContact O-CD 3.28Å; A330-P497 WeakPolarHBondContact O-CD 3.2Å
331Y97.4Very high93Very high6 Ų627.8 Ų27.82%0.02413%0.129CC..SBendtrans-114.1123177.3-62.5-77.5000110.5I124 E126 F255 P329 Y495I124-Y331 HydrophobicContact CG2-CD2 3.85Å; I124-Y331 HydrophobicContact CG2-CE1 4.48Å; I124-Y331 HydrophobicContact CG2-CE2 3.55Å; I124-Y331 HydrophobicContact CG2-CG 4.42Å; E126-Y331 VanDerWaalsContact CD-OH 3.28Å; E126-Y331 PolarHBondContact OE1-OH 2.87Å; E126-Y331 WeakPolarHBondContact OE2-CE2 3.48Å; E126-Y331 VanDerWaalsContact OE2-CZ 3.24Å; E126-Y331 PolarHBondContact OE2-OH 2.77Å; F255-Y331 HydrophobicContact CB-CD2 4.15Å; F255-Y331 PolarHBondContact O-N 3.46Å; P329-Y331 VanDerWaalsContact C-N 3.26Å; P329-Y331 WeakPolarHBondContact CG-O 3.36Å; P329-Y331 PolarHBondContact O-N 3.09Å; Y331-Y495 CarbonylContact C-O 3.51Å; Y331-Y495 VanDerWaalsContact CA-O 3.26Å; Y331-Y495 WeakPolarHBondContact CA-O 3.46Å
332L97.4Very high92.4Very high1 Ų127.9 Ų27.91%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-104.7114.6179.8-17566.3000109.9F280 L283 P329 I334 L361 M363 Y434 Y495F280-L332 HydrophobicContact CE2-CD1 3.83Å; F280-L332 HydrophobicContact CZ-CD1 4.45Å; L283-L332 HydrophobicContact CD1-CD1 3.83Å; L283-L332 HydrophobicContact CD1-CD2 4.37Å; L283-L332 HydrophobicContact CD1-CG 4.49Å; L283-L332 HydrophobicContact CG-CD1 4.15Å; P329-L332 HydrophobicContact CG-CD1 4.19Å; L332-I334 HydrophobicContact CD2-CD1 4.18Å; L332-I334 HydrophobicContact CD2-CG1 4.43Å; L332-I334 HydrophobicContact CG-CD1 4.44Å; L332-I334 HydrophobicContact CG-CG1 4.21Å; L332-L361 HydrophobicContact CD2-CD2 4.16Å; L332-M363 HydrophobicContact CD2-CE 4.09Å; L332-M363 HydrophobicContact CD2-CG 3.76Å; L332-M363 HydrophobicContact CD2-SD 3.88Å; L332-Y434 HydrophobicContact CB-CD1 3.97Å; L332-Y434 HydrophobicContact CB-CE1 3.69Å; L332-Y434 HydrophobicContact CB-CE2 4.48Å; L332-Y434 HydrophobicContact CB-CG 4.48Å; L332-Y434 HydrophobicContact CD2-CD2 4.35Å; L332-Y434 HydrophobicContact CD2-CE2 4.19Å; L332-Y495 PolarHBondContact N-O 3.19Å; L332-Y495 WeakPolarHBondContact O-CB 3.43Å; L332-Y495 PolarHBondContact O-N 3.24Å
333C97.6Very high91.6Very high1 Ų131.7 Ų31.71%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-93.5130.1174.3-172.90000110.2W216 Q282 L283 I492 L493W216-C333 HydrophobicContact CZ2-CB 4.22Å; Q282-C333 WeakPolarHBondContact CA-O 3.43Å; Q282-C333 HydrophobicContact CB-CB 4.47Å; Q282-C333 HydrophobicContact CG-CB 4.35Å; Q282-C333 PolarHBondContact NE2-SG 3.43Å; L283-C333 PolarHBondContact N-O 2.66Å; C333-I492 WeakPolarHBondContact SG-CG2 3.48Å; C333-L493 CarbonylContact C-O 3.44Å; C333-L493 WeakPolarHBondContact CA-O 3.42Å
334I97.1Very high90.9Very high0 Ų039.2 Ų39.20%019%0.19CC..EExtended strand (participates in β ladder)trans-124.8124.3178.2-56.3169000109.5L283 C285 L294 I298 L332 L361 I492 L493 Y495L283-I334 HydrophobicContact CB-CG1 4.38Å; L283-I334 CarbonylContact O-C 3.48Å; L283-I334 WeakPolarHBondContact O-CA 3.25Å; C285-I334 HydrophobicContact CB-CG2 4.04Å; L294-I334 HydrophobicContact CD1-CG2 3.81Å; L294-I334 HydrophobicContact CD2-CD1 4.01Å; I298-I334 HydrophobicContact CD1-CD1 3.9Å; L332-I334 HydrophobicContact CD2-CD1 4.18Å; L332-I334 HydrophobicContact CD2-CG1 4.43Å; L332-I334 HydrophobicContact CG-CD1 4.44Å; L332-I334 HydrophobicContact CG-CG1 4.21Å; I334-L361 HydrophobicContact CD1-CD2 3.59Å; I334-I492 CarbonylContact O-C 3.47Å; I334-I492 WeakPolarHBondContact O-CA 3.13Å; I334-L493 HydrophobicContact CB-CB 4.36Å; I334-L493 PolarHBondContact N-O 3.35Å; I334-L493 PolarHBondContact O-N 3.1Å; I334-Y495 HydrophobicContact CD1-CD2 3.77Å; I334-Y495 HydrophobicContact CD1-CE2 3.8Å; I334-Y495 HydrophobicContact CG1-CD2 4.48Å
335H95.5Very high90.1Very high23 Ų2342.8 Ų42.811%0.10620%0.202CC..EExtended strand (participates in β ladder)trans-98.2126.9176.2-179.4-143.1000110.8S213 Q282 L283 C285 V337 Y491S213-H335 WeakPolarHBondContact CB-NE2 3.26Å; S213-H335 PolarHBondContact OG-NE2 3Å; Q282-H335 HydrophobicContact CG-CB 3.89Å; L283-H335 PolarHBondContact O-N 2.94Å; C285-H335 PolarHBondContact N-O 3.43Å; H335-V337 PolarHBondContact O-N 3.45Å; H335-Y491 AromaticContact CD2-CE2 3.86Å; H335-Y491 AromaticContact CD2-CZ 3.99Å; H335-Y491 AromaticContact NE2-CE2 3.31Å; H335-Y491 VanDerWaalsContact NE2-CE2 3.31Å; H335-Y491 WeakPolarHBondContact NE2-CE2 3.47Å; H335-Y491 AromaticContact NE2-CZ 3.27Å; H335-Y491 VanDerWaalsContact NE2-CZ 3.27Å; H335-Y491 PolarHBondContact NE2-OH 2.91Å; H335-Y491 VanDerWaalsContact NE2-OH 3.16Å
336F93.3Very high89.1Confident0 Ų048.9 Ų48.90%023%0.231CC..EExtended strand (participates in β ladder)trans-82.4111.2163.6-70.2-79.8000109C285 M287 L294 R338 V355 F357 A490 Y491 L493C285-F336 HydrophobicContact CB-CD1 4Å; C285-F336 HydrophobicContact CB-CE1 4.29Å; M287-F336 HydrophobicContact CE-CB 4.12Å; M287-F336 HydrophobicContact CG-CD1 4.39Å; M287-F336 HydrophobicContact SD-CB 4.25Å; M287-F336 HydrophobicContact SD-CD1 3.82Å; M287-F336 HydrophobicContact SD-CG 4.47Å; L294-F336 HydrophobicContact CD1-CE1 3.75Å; L294-F336 HydrophobicContact CD1-CZ 3.69Å; F336-R338 HydrophobicContact CB-CG 3.93Å; F336-R338 PolarHBondContact O-N 2.96Å; F336-V355 HydrophobicContact CE1-CB 4.1Å; F336-V355 HydrophobicContact CE1-CG1 3.77Å; F336-F357 HydrophobicContact CE2-CD1 4.28Å; F336-F357 HydrophobicContact CZ-CB 4.39Å; F336-F357 HydrophobicContact CZ-CD1 4.02Å; F336-A490 HydrophobicContact CD2-CB 4.18Å; F336-A490 WeakPolarHBondContact CD2-O 3.41Å; F336-A490 HydrophobicContact CE2-CB 3.86Å; F336-Y491 PolarHBondContact N-O 3.3Å; F336-Y491 WeakPolarHBondContact O-CD2 3.17Å; F336-Y491 WeakPolarHBondContact O-CE2 3.37Å; F336-L493 HydrophobicContact CD2-CG 4.34Å; F336-L493 HydrophobicContact CE2-CD1 3.49Å; F336-L493 VanDerWaalsContact CE2-CD1 3.49Å; F336-L493 HydrophobicContact CE2-CD2 4.09Å; F336-L493 HydrophobicContact CE2-CG 3.59Å; F336-L493 HydrophobicContact CZ-CD1 3.81Å; F336-L493 HydrophobicContact CZ-CG 4.41Å
337V88.5Confident88.2Confident40 Ų4051.8 Ų51.824%0.24224%0.243CC..  trans-73.868.4178.2-168.20000109.6C285 F286 M287 H335C285-V337 PolarHBondContact O-N 3.45Å; F286-V337 HydrophobicContact CD1-CB 4.43Å; F286-V337 HydrophobicContact CD1-CG2 4.24Å; F286-V337 HydrophobicContact CE1-CG2 4.16Å; M287-V337 WeakPolarHBondContact CE-O 3.44Å; H335-V337 PolarHBondContact O-N 3.45Å
338R84Confident87.4Confident0 Ų053.7 Ų53.70%026%0.255CS..  trans-81-27.4-174-72.6-173.3-179.7-86.43.2112.8M287 F336 K350 I351 K353 S482 C489 A490M287-R338 VanDerWaalsContact CE-CA 3.43Å; M287-R338 HydrophobicContact CE-CB 3.93Å; M287-R338 HydrophobicContact CE-CG 3.24Å; M287-R338 HydrophobicContact SD-CG 3.91Å; F336-R338 HydrophobicContact CB-CG 3.93Å; F336-R338 PolarHBondContact O-N 2.96Å; R338-K350 HydrophobicContact CB-CG 4.33Å; R338-K350 CarbonylContact O-C 3.56Å; R338-K350 WeakPolarHBondContact O-CA 3.5Å; R338-I351 PolarHBondContact NH1-O 2.86Å; R338-I351 WeakPolarHBondContact O-CG1 3.38Å; R338-I351 PolarHBondContact O-N 3.36Å; R338-K353 PolarHBondContact NH1-O 3.18Å; R338-S482 PolarHBondContact NH2-O 3Å; R338-S482 VanDerWaalsContact NH2-O 3.12Å; R338-C489 VanDerWaalsContact CD-SG 3.53Å; R338-A490 PolarHBondContact NE-O 3.42Å
339F81.6Confident86.6Confident29 Ų2954.5 Ų54.513%0.12726%0.261CS..EExtended strand (participates in β ladder)trans-91.9132.8-178.4-60-68.5000109.9A349 K350 H442 T446 Y491F339-A349 WeakPolarHBondContact CA-O 3.49Å; F339-K350 HydrophobicContact CD1-CB 3.96Å; F339-K350 HydrophobicContact CD1-CG 4.11Å; F339-K350 HydrophobicContact CE1-CB 3.81Å; F339-K350 HydrophobicContact CE1-CD 3.92Å; F339-K350 HydrophobicContact CE1-CG 3.71Å; F339-K350 HydrophobicContact CZ-CD 4.34Å; F339-K350 HydrophobicContact CZ-CG 4.39Å; F339-H442 AromaticContact CZ-ND1 3.69Å; F339-T446 WeakPolarHBondContact CE1-O 3.45Å; F339-Y491 AromaticContact CD2-CE2 3.58Å; F339-Y491 HydrophobicContact CD2-CE2 3.58Å; F339-Y491 AromaticContact CD2-CZ 3.69Å; F339-Y491 WeakPolarHBondContact CD2-OH 3.45Å; F339-Y491 HydrophobicContact CE2-CD2 4.11Å; F339-Y491 HydrophobicContact CE2-CE1 4.23Å; F339-Y491 AromaticContact CE2-CE2 3.49Å; F339-Y491 HydrophobicContact CE2-CE2 3.49Å; F339-Y491 VanDerWaalsContact CE2-CE2 3.49Å; F339-Y491 AromaticContact CE2-CZ 3.55Å
340F80.1Confident85.9Confident81 Ų8155.3 Ų55.336%0.35527%0.265SS..EExtended strand (participates in β ladder)trans-140.9143.6173.769.5-76000109.6K342 A349 I351F340-K342 HydrophobicContact CD2-CG 3.91Å; F340-K342 HydrophobicContact CE2-CD 3.94Å; F340-K342 HydrophobicContact CE2-CG 3.42Å; F340-K342 VanDerWaalsContact CE2-CG 3.42Å; F340-K342 HydrophobicContact CZ-CD 4.3Å; F340-K342 HydrophobicContact CZ-CG 4.2Å; F340-A349 HydrophobicContact CD1-CB 4.2Å; F340-A349 VanDerWaalsContact CD1-O 3.28Å; F340-A349 WeakPolarHBondContact CD1-O 3.31Å; F340-A349 HydrophobicContact CE1-CB 3.71Å; F340-A349 HydrophobicContact CE2-CB 4.31Å; F340-A349 HydrophobicContact CZ-CB 3.81Å; F340-A349 PolarHBondContact N-O 2.9Å; F340-A349 PolarHBondContact O-N 3.39Å; F340-I351 HydrophobicContact CD1-CD1 3.95Å; F340-I351 HydrophobicContact CD1-CG1 3.53Å; F340-I351 HydrophobicContact CE1-CD1 4.25Å; F340-I351 HydrophobicContact CE1-CG1 3.46Å; F340-I351 VanDerWaalsContact CE1-CG1 3.46Å
341Y79.4Confident85.3Confident108 Ų10857.1 Ų57.142%0.42427%0.274SS..EExtended strand (participates in β ladder)trans-83.2127.3176.1-168.1-115.5000109.8E343 Q346 N348Y341-E343 HydrophobicContact CD1-CG 3.87Å; Y341-E343 HydrophobicContact CE1-CG 4.13Å; Y341-Q346 VanDerWaalsContact OH-CA 3.26Å; Y341-Q346 WeakPolarHBondContact OH-CA 3.22Å; Y341-Q346 WeakPolarHBondContact OH-CB 3.48Å; Y341-Q346 PolarHBondContact OH-OE1 3.38Å; Y341-N348 WeakPolarHBondContact CD2-OD1 3.38Å
342K79.8Confident84.5Confident88 Ų8859.7 Ų59.738%0.38329%0.287SS..EExtended strand (participates in β ladder)trans-96.3101.4169.6-70.8-173.5179.3-177.80108.8F340 D344 K345 Q346 I347 A349F340-K342 HydrophobicContact CD2-CG 3.91Å; F340-K342 HydrophobicContact CE2-CD 3.94Å; F340-K342 HydrophobicContact CE2-CG 3.42Å; F340-K342 VanDerWaalsContact CE2-CG 3.42Å; F340-K342 HydrophobicContact CZ-CD 4.3Å; F340-K342 HydrophobicContact CZ-CG 4.2Å; K342-D344 VanDerWaalsContact C-N 3.29Å; K342-D344 PolarHBondContact O-N 3.29Å; K342-K345 HydrophobicContact CB-CB 4.47Å; K342-K345 CarbonylContact O-C 3.59Å; K342-K345 PolarHBondContact O-N 3.45Å; K342-K345 VanDerWaalsContact O-N 3.13Å; K342-Q346 WeakPolarHBondContact O-CA 3.41Å; K342-Q346 PolarHBondContact O-N 3.22Å; K342-I347 PolarHBondContact N-O 2.78Å; K342-I347 PolarHBondContact O-N 2.91Å; K342-A349 HydrophobicContact CD-CB 4.1Å; K342-A349 HydrophobicContact CG-CB 4.24Å
343E79Confident83.9Confident147 Ų14762.2 Ų62.269%0.68730%0.298SS*.G310 helixtrans-56.6-42179.3-67.5-178.4-178.500112.3Y341 K345 Q346Y341-E343 HydrophobicContact CD1-CG 3.87Å; Y341-E343 HydrophobicContact CE1-CG 4.13Å; E343-K345 PolarHBondContact O-N 3.33Å; E343-K345 VanDerWaalsContact O-N 3.08Å; E343-Q346 PolarHBondContact O-N 2.89Å; E343-Q346 VanDerWaalsContact O-N 3.14Å; E343-Q346 PolarHBondContact O-NE2 3.43Å
344D82.2Confident83.5Confident164 Ų16465 Ų6588%0.87731%0.313SS*.G310 helixtrans-56.2-31.4179.5-57.8-30.2000113.5K342K342-D344 VanDerWaalsContact C-N 3.29Å; K342-D344 PolarHBondContact O-N 3.29Å
345K79.7Confident83.3Confident147 Ų14765 Ų6564%0.63931%0.313SS*.G310 helixtrans-109.8-7.2-177.8-62.9-167.9177.6-169.50113.1K342 E343 I347K342-K345 HydrophobicContact CB-CB 4.47Å; K342-K345 CarbonylContact O-C 3.59Å; K342-K345 PolarHBondContact O-N 3.45Å; K342-K345 VanDerWaalsContact O-N 3.13Å; E343-K345 PolarHBondContact O-N 3.33Å; E343-K345 VanDerWaalsContact O-N 3.08Å; K345-I347 HydrophobicContact CB-CB 4.36Å; K345-I347 HydrophobicContact CB-CD1 4.19Å; K345-I347 HydrophobicContact CB-CG1 4.43Å; K345-I347 WeakPolarHBondContact O-CG1 3.42Å; K345-I347 PolarHBondContact O-N 3.05Å
346Q76.7Confident83.2Confident128 Ų12868.2 Ų68.260%0.59833%0.327SS*.THydrogen-bonded Turntrans4939.5-170.5-59.1-71.1-54.900112.7Y341 K342 E343Y341-Q346 VanDerWaalsContact OH-CA 3.26Å; Y341-Q346 WeakPolarHBondContact OH-CA 3.22Å; Y341-Q346 WeakPolarHBondContact OH-CB 3.48Å; Y341-Q346 PolarHBondContact OH-OE1 3.38Å; K342-Q346 WeakPolarHBondContact O-CA 3.41Å; K342-Q346 PolarHBondContact O-N 3.22Å; E343-Q346 PolarHBondContact O-N 2.89Å; E343-Q346 VanDerWaalsContact O-N 3.14Å; E343-Q346 PolarHBondContact O-NE2 3.43Å
347I79Confident83.3Confident95 Ų9568.6 Ų68.649%0.48733%0.329SS..EExtended strand (participates in β ladder)trans-127.7136.1-176.4-69.6164.1000110.1K342 K345 A349K342-I347 PolarHBondContact N-O 2.78Å; K342-I347 PolarHBondContact O-N 2.91Å; K345-I347 HydrophobicContact CB-CB 4.36Å; K345-I347 HydrophobicContact CB-CD1 4.19Å; K345-I347 HydrophobicContact CB-CG1 4.43Å; K345-I347 WeakPolarHBondContact O-CG1 3.42Å; K345-I347 PolarHBondContact O-N 3.05Å; I347-A349 PolarHBondContact O-N 3.3Å
348N78.9Confident83.6Confident63 Ų6368.9 Ų68.934%0.33733%0.331SS..EExtended strand (participates in β ladder)trans-71.6114.5166.2-75.7-41.8000110.1Y341Y341-N348 WeakPolarHBondContact CD2-OD1 3.38Å
349A78.8Confident84.1Confident18 Ų1871.1 Ų71.115%0.14934%0.343CS..EExtended strand (participates in β ladder)trans-106144.5178.300000110.9F339 F340 K342 I347F339-A349 WeakPolarHBondContact CA-O 3.49Å; F340-A349 HydrophobicContact CD1-CB 4.2Å; F340-A349 VanDerWaalsContact CD1-O 3.28Å; F340-A349 WeakPolarHBondContact CD1-O 3.31Å; F340-A349 HydrophobicContact CE1-CB 3.71Å; F340-A349 HydrophobicContact CE2-CB 4.31Å; F340-A349 HydrophobicContact CZ-CB 3.81Å; F340-A349 PolarHBondContact N-O 2.9Å; F340-A349 PolarHBondContact O-N 3.39Å; K342-A349 HydrophobicContact CD-CB 4.1Å; K342-A349 HydrophobicContact CG-CB 4.24Å; I347-A349 PolarHBondContact O-N 3.3Å
350K82.2Confident84.8Confident19 Ų1973 Ų738%0.08336%0.357CS..EExtended strand (participates in β ladder)trans-99.1133173.7-171.7-177.1179.3-1650110.9R338 F339 L352 H442 G444 R445 C489R338-K350 HydrophobicContact CB-CG 4.33Å; R338-K350 CarbonylContact O-C 3.56Å; R338-K350 WeakPolarHBondContact O-CA 3.5Å; F339-K350 HydrophobicContact CD1-CB 3.96Å; F339-K350 HydrophobicContact CD1-CG 4.11Å; F339-K350 HydrophobicContact CE1-CB 3.81Å; F339-K350 HydrophobicContact CE1-CD 3.92Å; F339-K350 HydrophobicContact CE1-CG 3.71Å; F339-K350 HydrophobicContact CZ-CD 4.34Å; F339-K350 HydrophobicContact CZ-CG 4.39Å; K350-L352 HydrophobicContact CD-CD2 3.73Å; K350-L352 HydrophobicContact CG-CD2 4.08Å; K350-L352 PolarHBondContact O-N 3.39Å; K350-H442 PolarHBondContact NZ-ND1 3.05Å; K350-H442 PolarHBondContact NZ-O 3.2Å; K350-G444 WeakPolarHBondContact CD-O 3.41Å; K350-G444 WeakPolarHBondContact CE-O 3.42Å; K350-G444 PolarHBondContact NZ-O 3.38Å; K350-R445 WeakPolarHBondContact CB-O 3.31Å; K350-C489 WeakPolarHBondContact CE-SG 3.47Å; K350-C489 PolarHBondContact NZ-SG 3.44Å
351I82.5Confident85.6Confident42 Ų4269.1 Ų69.122%0.21534%0.34CS..  trans-79.1103.8170.3-57.8169.9000108M287 R338 F340 K353M287-I351 HydrophobicContact CB-CG2 4.38Å; M287-I351 HydrophobicContact CE-CB 4.43Å; M287-I351 HydrophobicContact CE-CD1 4.42Å; R338-I351 PolarHBondContact NH1-O 2.86Å; R338-I351 WeakPolarHBondContact O-CG1 3.38Å; R338-I351 PolarHBondContact O-N 3.36Å; F340-I351 HydrophobicContact CD1-CD1 3.95Å; F340-I351 HydrophobicContact CD1-CG1 3.53Å; F340-I351 HydrophobicContact CE1-CD1 4.25Å; F340-I351 HydrophobicContact CE1-CG1 3.46Å; F340-I351 VanDerWaalsContact CE1-CG1 3.46Å; I351-K353 HydrophobicContact CG2-CB 3.66Å; I351-K353 PolarHBondContact O-N 3.14Å
352L81.4Confident86.4Confident60 Ų6066.4 Ų66.431%0.31433%0.333SS..  trans-84.114.7178.2-62.7177.2000113.4K350 D354 G484K350-L352 HydrophobicContact CD-CD2 3.73Å; K350-L352 HydrophobicContact CG-CD2 4.08Å; K350-L352 PolarHBondContact O-N 3.39Å; L352-D354 PolarHBondContact O-N 2.95Å; L352-G484 WeakPolarHBondContact O-CA 3.43Å; L352-G484 PolarHBondContact O-N 2.88Å
353K84.5Confident87.2Confident54 Ų5462.2 Ų62.224%0.23531%0.314CS..  trans-60.6137.2-179.3-169.8176.9-171.1-173.50111.2H288 Q289 V291 R338 I351 V355H288-K353 PolarHBondContact O-NZ 3.36Å; Q289-K353 PolarHBondContact O-NZ 3.33Å; V291-K353 VanDerWaalsContact N-NZ 3.14Å; V291-K353 WeakPolarHBondContact O-CE 3.26Å; V291-K353 PolarHBondContact O-NZ 2.76Å; R338-K353 PolarHBondContact NH1-O 3.18Å; I351-K353 HydrophobicContact CG2-CB 3.66Å; I351-K353 PolarHBondContact O-N 3.14Å; K353-V355 HydrophobicContact CD-CG2 4.43Å; K353-V355 HydrophobicContact CG-CG2 4.28Å; K353-V355 PolarHBondContact O-N 3.41Å
354D89.7Confident87.9Confident60 Ų6057.1 Ų57.132%0.32129%0.29SS..  trans-73.7116.6170.3-17516.4000109.8L352 K356 S482L352-D354 PolarHBondContact O-N 2.95Å; D354-K356 VanDerWaalsContact CG-NZ 3.34Å; D354-K356 IonicContact OD1-NZ 3.46Å; D354-K356 PolarHBondContact OD1-NZ 3.22Å; D354-K356 VanDerWaalsContact OD1-NZ 3.14Å; D354-K356 WeakPolarHBondContact OD2-CE 3.25Å; D354-K356 IonicContact OD2-NZ 3.87Å; D354-K356 PolarHBondContact OD2-NZ 3.17Å; D354-S482 WeakPolarHBondContact CA-O 3.4Å; D354-S482 WeakPolarHBondContact OD1-CB 3.41Å; D354-S482 PolarHBondContact OD1-OG 3.21Å
355V91.4Very high88.5Confident0 Ų053.3 Ų53.30%027%0.267CS..  trans-127.9111.8177.6-177.50000108.3M287 V291 K292 F336 K353 S482M287-V355 HydrophobicContact CG-CG2 3.9Å; M287-V355 HydrophobicContact SD-CG2 3.91Å; V291-V355 HydrophobicContact CG1-CG1 4.41Å; K292-V355 WeakPolarHBondContact O-CA 3.45Å; F336-V355 HydrophobicContact CE1-CB 4.1Å; F336-V355 HydrophobicContact CE1-CG1 3.77Å; K353-V355 HydrophobicContact CD-CG2 4.43Å; K353-V355 HydrophobicContact CG-CG2 4.28Å; K353-V355 PolarHBondContact O-N 3.41Å; V355-S482 PolarHBondContact N-O 2.66Å; V355-S482 WeakPolarHBondContact O-CB 3.45Å
356K94Very high89.3Confident90 Ų9046.8 Ų46.839%0.39124%0.239SC..BIsolated β-bridgetrans-74.3133.8-178.4-57.6-59.1177.2-163.20110.1K292 Y293 L294 D354 S482K292-K356 PolarHBondContact O-N 3.29Å; Y293-K356 WeakPolarHBondContact CA-O 3.44Å; Y293-K356 HydrophobicContact CD1-CB 3.89Å; Y293-K356 HydrophobicContact CE1-CB 4.18Å; Y293-K356 HydrophobicContact CE1-CG 4.44Å; L294-K356 PolarHBondContact N-O 3.39Å; D354-K356 VanDerWaalsContact CG-NZ 3.34Å; D354-K356 IonicContact OD1-NZ 3.46Å; D354-K356 PolarHBondContact OD1-NZ 3.22Å; D354-K356 VanDerWaalsContact OD1-NZ 3.14Å; D354-K356 WeakPolarHBondContact OD2-CE 3.25Å; D354-K356 IonicContact OD2-NZ 3.87Å; D354-K356 PolarHBondContact OD2-NZ 3.17Å; K356-S482 PolarHBondContact NZ-OG 3.12Å
357F95.6Very high90.3Very high8 Ų840.8 Ų40.84%0.03521%0.211CC..  trans-123.9138.2172.354.8-92.2000108.9L294 F336 L436 V439 I478 L479 L481 A490 L493L294-F357 HydrophobicContact CB-CB 4Å; L294-F357 HydrophobicContact CD2-CB 3.78Å; L294-F357 HydrophobicContact CG-CB 4.41Å; F336-F357 HydrophobicContact CE2-CD1 4.28Å; F336-F357 HydrophobicContact CZ-CB 4.39Å; F336-F357 HydrophobicContact CZ-CD1 4.02Å; F357-L436 HydrophobicContact CD2-CD2 3.94Å; F357-L436 HydrophobicContact CE2-CD2 3.67Å; F357-V439 HydrophobicContact CE2-CG2 4.5Å; F357-I478 HydrophobicContact CE2-CG2 4.28Å; F357-I478 WeakPolarHBondContact CZ-O 3.45Å; F357-L479 WeakPolarHBondContact O-CD2 3.33Å; F357-L481 HydrophobicContact CE1-CB 4.5Å; F357-L481 HydrophobicContact CZ-CB 4.13Å; F357-A490 HydrophobicContact CD1-CB 4.25Å; F357-A490 HydrophobicContact CE1-CB 3.48Å; F357-A490 VanDerWaalsContact CE1-CB 3.48Å; F357-A490 HydrophobicContact CZ-CB 3.94Å; F357-L493 HydrophobicContact CB-CD1 3.69Å; F357-L493 HydrophobicContact CD1-CD1 4.26Å; F357-L493 HydrophobicContact CD1-CD2 4.45Å; F357-L493 HydrophobicContact CD2-CD1 4.02Å; F357-L493 HydrophobicContact CD2-CD2 4.07Å; F357-L493 HydrophobicContact CE1-CD2 4.41Å; F357-L493 HydrophobicContact CE2-CD2 4.04Å; F357-L493 HydrophobicContact CG-CD1 3.73Å; F357-L493 HydrophobicContact CG-CD2 4.29Å; F357-L493 HydrophobicContact CZ-CD2 4.21Å
358P95.3Very high91.1Very high45 Ų4536.7 Ų36.729%0.29219%0.19SC..  trans-82.5155.7-178.235.3-36.4000111.3T360 L361 Y495P358-T360 VanDerWaalsContact C-N 3.31Å; P358-T360 VanDerWaalsContact CB-O 3.25Å; P358-T360 WeakPolarHBondContact CB-O 3.42Å; P358-T360 VanDerWaalsContact CG-O 3.3Å; P358-T360 WeakPolarHBondContact CG-O 3.5Å; P358-L361 HydrophobicContact CG-CB 4.35Å; P358-L361 HydrophobicContact CG-CD1 4.08Å; P358-Y495 WeakPolarHBondContact O-CE1 3.47Å; P358-Y495 PolarHBondContact O-OH 3.17Å
359L95.1Very high92Very high48 Ų4837.1 Ų37.125%0.25120%0.197SC..SBendtrans-68.1-35169.3-61.9178.7000111.3E435 L436 I478 L479L359-E435 CarbonylContact O-C 3.54Å; L359-E435 WeakPolarHBondContact O-CA 3.44Å; L359-L436 HydrophobicContact CD2-CD2 4.04Å; L359-L436 WeakPolarHBondContact O-CB 3.27Å; L359-L436 PolarHBondContact O-N 2.78Å; L359-I478 HydrophobicContact CD2-CG2 4.43Å; L359-L479 HydrophobicContact CD2-CD2 4.05Å; L359-L479 HydrophobicContact CD2-CG 4.34Å; L359-L479 HydrophobicContact CG-CD2 4.08Å; L359-L479 HydrophobicContact CG-CG 4.42Å
360T95.4Very high92.8Very high68 Ų6842.3 Ų42.342%0.41722%0.218SC..EExtended strand (participates in β ladder)trans-110.9118.5173.3-52.60000109.1P358 Y433 Y434P358-T360 VanDerWaalsContact C-N 3.31Å; P358-T360 VanDerWaalsContact CB-O 3.25Å; P358-T360 WeakPolarHBondContact CB-O 3.42Å; P358-T360 VanDerWaalsContact CG-O 3.3Å; P358-T360 WeakPolarHBondContact CG-O 3.5Å; T360-Y433 HydrophobicContact CG2-CD1 4.46Å; T360-Y434 CarbonylContact C-O 3.53Å; T360-Y434 VanDerWaalsContact CA-O 3.28Å; T360-Y434 WeakPolarHBondContact CA-O 3.29Å
361L96.1Very high93.5Very high0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-105132.2-179.6-179.766.1000110L294 I295 L332 I334 P358 M363 Y433 Y434 Y495L294-L361 HydrophobicContact CD2-CD1 4.32Å; L294-L361 HydrophobicContact CD2-CD2 4.39Å; I295-L361 HydrophobicContact CG1-CD1 4.07Å; L332-L361 HydrophobicContact CD2-CD2 4.16Å; I334-L361 HydrophobicContact CD1-CD2 3.59Å; P358-L361 HydrophobicContact CG-CB 4.35Å; P358-L361 HydrophobicContact CG-CD1 4.08Å; L361-M363 HydrophobicContact CD1-SD 4.41Å; L361-M363 HydrophobicContact CD2-CG 4.24Å; L361-M363 HydrophobicContact CD2-SD 3.71Å; L361-M363 HydrophobicContact CG-CG 4.26Å; L361-M363 HydrophobicContact CG-SD 3.92Å; L361-Y433 WeakPolarHBondContact O-CA 3.48Å; L361-Y434 PolarHBondContact N-O 2.93Å; L361-Y434 PolarHBondContact O-N 3.33Å; L361-Y495 HydrophobicContact CB-CD1 3.87Å; L361-Y495 HydrophobicContact CB-CE1 3.55Å; L361-Y495 HydrophobicContact CD2-CD1 4.43Å; L361-Y495 HydrophobicContact CD2-CD2 4Å; L361-Y495 HydrophobicContact CD2-CE1 4.35Å; L361-Y495 HydrophobicContact CD2-CE2 3.89Å; L361-Y495 HydrophobicContact CD2-CG 4.27Å
362D96.2Very high94.1Very high51 Ų5142.2 Ų42.227%0.27322%0.217SC..EExtended strand (participates in β ladder)trans-105.4119.2174.1-176.96.9000110.1H364 R379 Y433D362-H364 VanDerWaalsContact OD1-CB 3.26Å; D362-H364 WeakPolarHBondContact OD1-CB 3.48Å; D362-H364 PolarHBondContact OD1-N 3.31Å; D362-R379 VanDerWaalsContact CG-NH2 3.3Å; D362-R379 IonicContact OD1-CZ 2.65Å; D362-R379 IonicContact OD1-NH1 3.22Å; D362-R379 PolarHBondContact OD1-NH1 3.49Å; D362-R379 IonicContact OD1-NH2 3.39Å; D362-R379 PolarHBondContact OD1-NH2 3.21Å; D362-R379 IonicContact OD2-CZ 2.72Å; D362-R379 IonicContact OD2-NH1 2.7Å; D362-R379 IonicContact OD2-NH2 3.63Å; D362-R379 PolarHBondContact OD2-NH2 3.45Å; D362-Y433 HydrophobicContact CB-CD1 4.01Å; D362-Y433 HydrophobicContact CB-CE1 3.88Å
363M96.4Very high94.8Very high0 Ų045.6 Ų45.60%023%0.231CC..  trans-101.90.4-179.4-66.7-59.4-63.100113.7L283 I298 I325 L328 L332 L361 E365 F366 C367 G432 Y434L283-M363 HydrophobicContact CD1-CE 3.88Å; I298-M363 HydrophobicContact CD1-SD 4.31Å; I298-M363 HydrophobicContact CG2-CE 4.34Å; I325-M363 HydrophobicContact CD1-CE 3.48Å; I325-M363 VanDerWaalsContact CD1-CE 3.48Å; L328-M363 HydrophobicContact CD1-CB 4.37Å; L328-M363 HydrophobicContact CD2-CB 3.99Å; L328-M363 HydrophobicContact CD2-CG 4.47Å; L332-M363 HydrophobicContact CD2-CE 4.09Å; L332-M363 HydrophobicContact CD2-CG 3.76Å; L332-M363 HydrophobicContact CD2-SD 3.88Å; L361-M363 HydrophobicContact CD1-SD 4.41Å; L361-M363 HydrophobicContact CD2-CG 4.24Å; L361-M363 HydrophobicContact CD2-SD 3.71Å; L361-M363 HydrophobicContact CG-CG 4.26Å; L361-M363 HydrophobicContact CG-SD 3.92Å; M363-E365 VanDerWaalsContact C-N 3.27Å; M363-E365 PolarHBondContact O-N 3.41Å; M363-F366 HydrophobicContact CE-CB 4.12Å; M363-F366 HydrophobicContact CE-CD2 3.61Å; M363-F366 HydrophobicContact CE-CE2 4.41Å; M363-F366 HydrophobicContact CE-CG 4.13Å; M363-F366 PolarHBondContact O-N 2.92Å; M363-F366 HydrophobicContact SD-CD2 3.88Å; M363-F366 HydrophobicContact SD-CE2 4.31Å; M363-C367 PolarHBondContact O-SG 3.32Å; M363-G432 PolarHBondContact N-O 3.23Å; M363-Y434 HydrophobicContact CB-CD2 4.46Å; M363-Y434 HydrophobicContact CB-CE2 4.19Å; M363-Y434 HydrophobicContact CG-CD2 3.83Å; M363-Y434 HydrophobicContact CG-CE2 3.8Å
364H95.4Very high95.3Very high40 Ų4048.7 Ų48.719%0.18525%0.245CC..G310 helixtrans-57.8-38.2-175.5172-84.9000113.3D362 F366 C367 Q372 R379D362-H364 VanDerWaalsContact OD1-CB 3.26Å; D362-H364 WeakPolarHBondContact OD1-CB 3.48Å; D362-H364 PolarHBondContact OD1-N 3.31Å; H364-F366 PolarHBondContact O-N 3.22Å; H364-C367 WeakPolarHBondContact O-CB 3.45Å; H364-C367 PolarHBondContact O-N 3.08Å; H364-Q372 WeakPolarHBondContact O-CG 3.45Å; H364-Q372 PolarHBondContact O-NE2 2.92Å; H364-R379 VanDerWaalsContact CB-CZ 3.41Å
365E94.7Very high95.6Very high84 Ų8445.8 Ų45.839%0.39323%0.229SC..G310 helixtrans-65.6-20179.268.2168.4153.100114.1I295 R299 M363I295-E365 WeakPolarHBondContact CG2-OE1 3.44Å; R299-E365 IonicContact CZ-OE2 2.82Å; R299-E365 IonicContact NH2-OE1 2.78Å; R299-E365 PolarHBondContact NH2-OE1 2.84Å; R299-E365 IonicContact NH2-OE2 3.27Å; R299-E365 PolarHBondContact NH2-OE2 2.93Å; M363-E365 VanDerWaalsContact C-N 3.27Å; M363-E365 PolarHBondContact O-N 3.41Å
366F96.2Very high95.7Very high9 Ų948.6 Ų48.64%0.03924%0.244CC..G310 helixtrans-94.5-3.1179.7-60.9-66.4000113.2I295 I298 R299 L302 I325 M363 H364I295-F366 HydrophobicContact CG2-CE2 4.16Å; I295-F366 HydrophobicContact CG2-CZ 3.78Å; I295-F366 WeakPolarHBondContact O-CZ 3.4Å; I298-F366 HydrophobicContact CB-CE2 4.5Å; I298-F366 HydrophobicContact CB-CZ 4.17Å; I298-F366 HydrophobicContact CG2-CD1 4.34Å; I298-F366 HydrophobicContact CG2-CD2 4.35Å; I298-F366 HydrophobicContact CG2-CE1 4.12Å; I298-F366 HydrophobicContact CG2-CE2 4.15Å; I298-F366 HydrophobicContact CG2-CG 4.43Å; I298-F366 HydrophobicContact CG2-CZ 4.02Å; R299-F366 HydrophobicContact CB-CE1 3.79Å; R299-F366 HydrophobicContact CB-CZ 4.35Å; R299-F366 HydrophobicContact CG-CE1 4.25Å; L302-F366 HydrophobicContact CD1-CB 3.91Å; L302-F366 HydrophobicContact CD1-CD1 3.49Å; L302-F366 VanDerWaalsContact CD1-CD1 3.49Å; L302-F366 HydrophobicContact CD1-CE1 4.27Å; L302-F366 HydrophobicContact CD1-CG 3.92Å; I325-F366 HydrophobicContact CD1-CB 3.93Å; I325-F366 HydrophobicContact CG1-CB 4.46Å; I325-F366 PolarHBondContact N-O 2.95Å; M363-F366 HydrophobicContact CE-CB 4.12Å; M363-F366 HydrophobicContact CE-CD2 3.61Å; M363-F366 HydrophobicContact CE-CE2 4.41Å; M363-F366 HydrophobicContact CE-CG 4.13Å; M363-F366 PolarHBondContact O-N 2.92Å; M363-F366 HydrophobicContact SD-CD2 3.88Å; M363-F366 HydrophobicContact SD-CE2 4.31Å; H364-F366 PolarHBondContact O-N 3.22Å
367C97Very high95.7Very high2 Ų248.4 Ų48.41%0.01425%0.252CS..BIsolated β-bridgetrans-87.1155.6-175.8-650000112.2I325 M363 H364 L371 Q372I325-C367 CarbonylContact O-C 3.44Å; I325-C367 VanDerWaalsContact O-CA 3.25Å; I325-C367 WeakPolarHBondContact O-CA 3.47Å; M363-C367 PolarHBondContact O-SG 3.32Å; H364-C367 WeakPolarHBondContact O-CB 3.45Å; H364-C367 PolarHBondContact O-N 3.08Å; C367-L371 HydrophobicContact CB-CB 4.12Å; C367-L371 HydrophobicContact CB-CD2 3.83Å; C367-L371 HydrophobicContact CB-CG 4.02Å; C367-Q372 HydrophobicContact CB-CG 3.9Å; C367-Q372 PolarHBondContact O-NE2 3.01Å
368T96.9Very high95.5Very high9 Ų949.6 Ų49.66%0.05526%0.258CS..  trans-64157.1170.5750000110.9L324 I325 E370 L371 Q372L324-T368 HydrophobicContact CB-CG2 3.71Å; I325-T368 PolarHBondContact O-N 2.86Å; T368-E370 WeakPolarHBondContact CB-OE2 3.21Å; T368-E370 PolarHBondContact O-N 3.37Å; T368-E370 PolarHBondContact OG1-OE2 2.79Å; T368-L371 PolarHBondContact O-N 3.39Å; T368-L371 VanDerWaalsContact O-N 3.08Å; T368-L371 PolarHBondContact OG1-N 2.96Å; T368-Q372 WeakPolarHBondContact O-CG 3.49Å; T368-Q372 PolarHBondContact O-N 3.26Å
369P96.7Very high95.3Very high73 Ų7348.8 Ų48.847%0.47425%0.249SC..Hα-helixtrans-55.1-37.3177.6-26.335.8000113.1Q372 Q373P369-Q372 PolarHBondContact O-N 3.39Å; P369-Q373 WeakPolarHBondContact O-CG 3.22Å; P369-Q373 PolarHBondContact O-N 3.31Å; P369-Q373 VanDerWaalsContact O-N 3.11Å
370E96.1Very high95.2Very high126 Ų12651.6 Ų51.659%0.58926%0.261SS*.Hα-helixtrans-64.8-43.8178.3-55.372.6-155.200111T368 K374T368-E370 WeakPolarHBondContact CB-OE2 3.21Å; T368-E370 PolarHBondContact O-N 3.37Å; T368-E370 PolarHBondContact OG1-OE2 2.79Å; E370-K374 WeakPolarHBondContact O-CG 3.29Å; E370-K374 PolarHBondContact O-N 3.05Å
371L95.9Very high94.9Very high9 Ų952.4 Ų52.45%0.04726%0.259CS..Hα-helixtrans-69.9-41.7177.3-179.160.2000111I325 L328 C367 T368 Q373 K374 L375 F422I325-L371 HydrophobicContact CG2-CD2 4.38Å; I325-L371 WeakPolarHBondContact O-CD2 3.38Å; L328-L371 HydrophobicContact CD1-CD2 4.35Å; L328-L371 HydrophobicContact CG-CD2 4.1Å; C367-L371 HydrophobicContact CB-CB 4.12Å; C367-L371 HydrophobicContact CB-CD2 3.83Å; C367-L371 HydrophobicContact CB-CG 4.02Å; T368-L371 PolarHBondContact O-N 3.39Å; T368-L371 VanDerWaalsContact O-N 3.08Å; T368-L371 PolarHBondContact OG1-N 2.96Å; L371-Q373 VanDerWaalsContact C-N 3.29Å; L371-Q373 PolarHBondContact O-N 2.56Å; L371-K374 WeakPolarHBondContact O-CB 3.44Å; L371-K374 PolarHBondContact O-N 2.66Å; L371-L375 HydrophobicContact CD1-CD1 4.48Å; L371-L375 HydrophobicContact CD1-CD2 4.28Å; L371-L375 HydrophobicContact CD1-CG 4.19Å; L371-L375 HydrophobicContact CG-CD1 4.06Å; L371-L375 HydrophobicContact CG-CG 4.25Å; L371-L375 VanDerWaalsContact O-CG 3.28Å; L371-L375 WeakPolarHBondContact O-CG 3.45Å; L371-L375 PolarHBondContact O-N 3.45Å; L371-F422 HydrophobicContact CD1-CE2 4.03Å; L371-F422 HydrophobicContact CD1-CZ 4.23Å
372Q96.7Very high94.5Very high51 Ų5152.6 Ų52.624%0.23826%0.26CS..Hα-helixtrans-52.3-48175.7-75.3179.3-15.900111.7H364 C367 T368 P369 K374 L375 L376H364-Q372 WeakPolarHBondContact O-CG 3.45Å; H364-Q372 PolarHBondContact O-NE2 2.92Å; C367-Q372 HydrophobicContact CB-CG 3.9Å; C367-Q372 PolarHBondContact O-NE2 3.01Å; T368-Q372 WeakPolarHBondContact O-CG 3.49Å; T368-Q372 PolarHBondContact O-N 3.26Å; P369-Q372 PolarHBondContact O-N 3.39Å; Q372-K374 VanDerWaalsContact C-N 3.34Å; Q372-K374 PolarHBondContact O-N 3.16Å; Q372-L375 PolarHBondContact O-N 2.91Å; Q372-L375 VanDerWaalsContact O-N 3.16Å; Q372-L376 PolarHBondContact O-N 2.98Å
373Q96.5Very high94.2Very high130 Ų13056.8 Ų56.861%0.60727%0.272SS*.Hα-helixtrans-61.5-40177-67-60.7-29.800112.5P369 L371 L375 L376P369-Q373 WeakPolarHBondContact O-CG 3.22Å; P369-Q373 PolarHBondContact O-N 3.31Å; P369-Q373 VanDerWaalsContact O-N 3.11Å; L371-Q373 VanDerWaalsContact C-N 3.29Å; L371-Q373 PolarHBondContact O-N 2.56Å; Q373-L375 VanDerWaalsContact C-N 3.28Å; Q373-L375 PolarHBondContact O-N 2.78Å; Q373-L376 PolarHBondContact O-N 2.81Å; Q373-L376 VanDerWaalsContact OE1-CD1 3.26Å
374K94.6Very high93.8Very high119 Ų11961.4 Ų61.452%0.51730%0.296SS..Hα-helixtrans-65-30176.6-73.4-174.8176.3-168.70113.1E370 L371 Q372 P377 F422E370-K374 WeakPolarHBondContact O-CG 3.29Å; E370-K374 PolarHBondContact O-N 3.05Å; L371-K374 WeakPolarHBondContact O-CB 3.44Å; L371-K374 PolarHBondContact O-N 2.66Å; Q372-K374 VanDerWaalsContact C-N 3.34Å; Q372-K374 PolarHBondContact O-N 3.16Å; K374-P377 WeakPolarHBondContact O-CD 3.27Å; K374-F422 HydrophobicContact CB-CE1 4Å; K374-F422 HydrophobicContact CB-CZ 3.88Å; K374-F422 WeakPolarHBondContact O-CE1 3.32Å
375L95Very high93.2Very high0 Ų062 Ų620%030%0.298CS..Hα-helixtrans-79.3-23.3-178.4-62.5171.1000113.2L328 L371 Q372 Q373 P377 M378 R379 F422 N430L328-L375 HydrophobicContact CD1-CD1 4.11Å; L328-L375 HydrophobicContact CD1-CD2 4.49Å; L371-L375 HydrophobicContact CD1-CD1 4.48Å; L371-L375 HydrophobicContact CD1-CD2 4.28Å; L371-L375 HydrophobicContact CD1-CG 4.19Å; L371-L375 HydrophobicContact CG-CD1 4.06Å; L371-L375 HydrophobicContact CG-CG 4.25Å; L371-L375 VanDerWaalsContact O-CG 3.28Å; L371-L375 WeakPolarHBondContact O-CG 3.45Å; L371-L375 PolarHBondContact O-N 3.45Å; Q372-L375 PolarHBondContact O-N 2.91Å; Q372-L375 VanDerWaalsContact O-N 3.16Å; Q373-L375 VanDerWaalsContact C-N 3.28Å; Q373-L375 PolarHBondContact O-N 2.78Å; L375-P377 VanDerWaalsContact C-CD 3.46Å; L375-M378 PolarHBondContact O-N 3.35Å; L375-R379 VanDerWaalsContact O-CG 3.31Å; L375-R379 WeakPolarHBondContact O-CG 3.4Å; L375-R379 PolarHBondContact O-N 2.91Å; L375-F422 HydrophobicContact CD2-CE2 4.16Å; L375-F422 HydrophobicContact CD2-CZ 3.65Å; L375-F422 HydrophobicContact CG-CZ 4.44Å; L375-N430 WeakPolarHBondContact CD2-O 3.29Å
376L94.3Very high92.7Very high59 Ų5962.7 Ų62.731%0.30930%0.301SS..Hα-helixtrans-52-46.8-173.6-69.6176.9000115Q372 Q373 M378 R379 E380Q372-L376 PolarHBondContact O-N 2.98Å; Q373-L376 PolarHBondContact O-N 2.81Å; Q373-L376 VanDerWaalsContact OE1-CD1 3.26Å; L376-M378 VanDerWaalsContact C-N 3.32Å; L376-M378 PolarHBondContact O-N 2.76Å; L376-R379 PolarHBondContact O-N 3.36Å; L376-R379 VanDerWaalsContact O-N 3.14Å; L376-E380 WeakPolarHBondContact O-CG 3.36Å; L376-E380 PolarHBondContact O-N 3.11Å
377P92.8Very high92.2Very high86 Ų8666 Ų6656%0.55832%0.319SS*.Hα-helixtrans-59.4-41.4-174.1-2535.3000113.3K374 L375 K381K374-P377 WeakPolarHBondContact O-CD 3.27Å; L375-P377 VanDerWaalsContact C-CD 3.46Å; P377-K381 PolarHBondContact O-N 3.43Å
378M91.1Very high91.5Very high32 Ų3270.1 Ų70.116%0.15834%0.338CS..Hα-helixtrans-76.7-33.1179.1-73.5-61.5-62.400112.1L375 L376 K381 Q382 E418 P419 N430 I500L375-M378 PolarHBondContact O-N 3.35Å; L376-M378 VanDerWaalsContact C-N 3.32Å; L376-M378 PolarHBondContact O-N 2.76Å; M378-K381 PolarHBondContact O-N 3.05Å; M378-Q382 PolarHBondContact O-N 2.99Å; M378-E418 HydrophobicContact CE-CB 4.04Å; M378-P419 WeakPolarHBondContact CE-O 3.38Å; M378-N430 WeakPolarHBondContact CB-O 3.4Å; M378-N430 HydrophobicContact CG-CB 4.32Å; M378-I500 HydrophobicContact CE-CD1 3.96Å
379R93.1Very high90.6Very high28 Ų2872.8 Ų72.811%0.10635%0.354CS..Hα-helixtrans-64.5-42.3174.3-69.3178.572.790.5-6.9112.3D362 H364 L375 L376 K381 Q382 R383 S431 Y433D362-R379 VanDerWaalsContact CG-NH2 3.3Å; D362-R379 IonicContact OD1-CZ 2.65Å; D362-R379 IonicContact OD1-NH1 3.22Å; D362-R379 PolarHBondContact OD1-NH1 3.49Å; D362-R379 IonicContact OD1-NH2 3.39Å; D362-R379 PolarHBondContact OD1-NH2 3.21Å; D362-R379 IonicContact OD2-CZ 2.72Å; D362-R379 IonicContact OD2-NH1 2.7Å; D362-R379 IonicContact OD2-NH2 3.63Å; D362-R379 PolarHBondContact OD2-NH2 3.45Å; H364-R379 VanDerWaalsContact CB-CZ 3.41Å; L375-R379 VanDerWaalsContact O-CG 3.31Å; L375-R379 WeakPolarHBondContact O-CG 3.4Å; L375-R379 PolarHBondContact O-N 2.91Å; L376-R379 PolarHBondContact O-N 3.36Å; L376-R379 VanDerWaalsContact O-N 3.14Å; R379-K381 VanDerWaalsContact C-N 3.33Å; R379-Q382 PolarHBondContact O-N 3.47Å; R379-R383 WeakPolarHBondContact O-CB 3.28Å; R379-R383 PolarHBondContact O-N 3.18Å; R379-S431 VanDerWaalsContact CD-O 3.22Å; R379-S431 WeakPolarHBondContact CD-O 3.26Å; R379-S431 WeakPolarHBondContact CG-O 3.29Å; R379-S431 PolarHBondContact NH1-O 3.11Å; R379-S431 VanDerWaalsContact NH1-O 3.09Å; R379-Y433 HydrophobicContact CB-CE2 4.16Å; R379-Y433 HydrophobicContact CG-CD2 4.22Å; R379-Y433 HydrophobicContact CG-CE2 3.79Å; R379-Y433 PolarHBondContact NH2-OH 3.45Å
380E92.1Very high89.7Confident108 Ų10872.4 Ų72.451%0.50536%0.357SS..Hα-helixtrans-62.1-43.2176.1-74-177.9172.800111.2L376 Q382 R383 L384L376-E380 WeakPolarHBondContact O-CG 3.36Å; L376-E380 PolarHBondContact O-N 3.11Å; E380-Q382 VanDerWaalsContact C-N 3.34Å; E380-Q382 PolarHBondContact O-N 3.33Å; E380-R383 PolarHBondContact O-N 2.91Å; E380-L384 VanDerWaalsContact O-CG 3.32Å; E380-L384 WeakPolarHBondContact O-CG 3.25Å; E380-L384 PolarHBondContact O-N 3.42Å
381K89.8Confident88.7Confident84 Ų8470.3 Ų70.337%0.36535%0.35SS..Hα-helixtrans-61.8-40.8176.2-168.3169.6-174.8170.10112.5P377 M378 R379 K385 E418P377-K381 PolarHBondContact O-N 3.43Å; M378-K381 PolarHBondContact O-N 3.05Å; R379-K381 VanDerWaalsContact C-N 3.33Å; K381-K385 PolarHBondContact O-N 3.22Å; K381-E418 HydrophobicContact CD-CG 4.42Å; K381-E418 VanDerWaalsContact CE-CD 3.42Å; K381-E418 WeakPolarHBondContact CE-OE1 3.4Å; K381-E418 IonicContact NZ-OE1 2.66Å; K381-E418 PolarHBondContact NZ-OE1 2.96Å; K381-E418 IonicContact NZ-OE2 2.86Å; K381-E418 PolarHBondContact NZ-OE2 3.38Å
382Q87.7Confident87Confident4 Ų474.3 Ų74.32%0.01938%0.377CS..Hα-helixtrans-63.2-48.5174.7-172.2172.9-34.900111.6M378 R379 E380 L384 K385 E386 Y433 H498 I500M378-Q382 PolarHBondContact O-N 2.99Å; R379-Q382 PolarHBondContact O-N 3.47Å; E380-Q382 VanDerWaalsContact C-N 3.34Å; E380-Q382 PolarHBondContact O-N 3.33Å; Q382-L384 PolarHBondContact O-N 3.09Å; Q382-K385 WeakPolarHBondContact O-CB 3.35Å; Q382-K385 PolarHBondContact O-N 3.18Å; Q382-K385 VanDerWaalsContact O-N 3.11Å; Q382-E386 HydrophobicContact CG-CG 4.49Å; Q382-E386 WeakPolarHBondContact CG-OE1 3.2Å; Q382-E386 PolarHBondContact NE2-OE1 2.51Å; Q382-E386 WeakPolarHBondContact O-CG 3.22Å; Q382-E386 PolarHBondContact O-N 2.92Å; Q382-Y433 VanDerWaalsContact CD-CD2 3.45Å; Q382-H498 PolarHBondContact NE2-CD2 2.76Å; Q382-H498 PolarHBondContact OE1-CD2 2.6Å; Q382-H498 VanDerWaalsContact OE1-CD2 3.26Å; Q382-I500 HydrophobicContact CB-CD1 3.67Å; Q382-I500 HydrophobicContact CB-CG1 4.38Å; Q382-I500 HydrophobicContact CG-CD1 4.22Å; Q382-I500 HydrophobicContact CG-CG1 4.41Å
383R88.9Confident85.2Confident140 Ų14076.6 Ų76.653%0.52840%0.398SS..Hα-helixtrans-57.1-48.4178.8-176.6-173.666.4138.9-1.3111.8R379 E380 K385 E386 D387R379-R383 WeakPolarHBondContact O-CB 3.28Å; R379-R383 PolarHBondContact O-N 3.18Å; E380-R383 PolarHBondContact O-N 2.91Å; R383-K385 PolarHBondContact O-N 2.94Å; R383-E386 PolarHBondContact O-N 2.63Å; R383-D387 VanDerWaalsContact O-CG 3.31Å; R383-D387 PolarHBondContact O-N 3.01Å
384L88.1Confident83.1Confident96 Ų9672.5 Ų72.550%0.50338%0.384SS..Hα-helixtrans-57.4-38.7178.1-72.7170.7000111.8E380 Q382 D387 E388E380-L384 VanDerWaalsContact O-CG 3.32Å; E380-L384 WeakPolarHBondContact O-CG 3.25Å; E380-L384 PolarHBondContact O-N 3.42Å; Q382-L384 PolarHBondContact O-N 3.09Å; L384-D387 PolarHBondContact O-N 3.17Å; L384-E388 WeakPolarHBondContact O-CG 3.23Å; L384-E388 PolarHBondContact O-N 2.96Å
385K84.1Confident81Confident54 Ų5471.3 Ų71.324%0.23538%0.38CS..Hα-helixtrans-73.9-37.9179.4-162.8179.8179.2-158.40113.1K381 Q382 R383 D387 E388 V389 I500 R501K381-K385 PolarHBondContact O-N 3.22Å; Q382-K385 WeakPolarHBondContact O-CB 3.35Å; Q382-K385 PolarHBondContact O-N 3.18Å; Q382-K385 VanDerWaalsContact O-N 3.11Å; R383-K385 PolarHBondContact O-N 2.94Å; K385-D387 VanDerWaalsContact C-N 3.3Å; K385-E388 PolarHBondContact O-N 2.81Å; K385-V389 VanDerWaalsContact O-CG2 3.31Å; K385-V389 WeakPolarHBondContact O-CG2 3.46Å; K385-V389 PolarHBondContact O-N 3.43Å; K385-V389 VanDerWaalsContact O-N 3.09Å; K385-I500 HydrophobicContact CD-CG2 3.54Å; K385-R501 VanDerWaalsContact CE-O 3.29Å; K385-R501 WeakPolarHBondContact CE-O 3.27Å; K385-R501 VanDerWaalsContact NZ-CA 3.31Å; K385-R501 PolarHBondContact NZ-O 2.89Å
386E84.2Confident78.7Confident98 Ų9877 Ų7746%0.45842%0.415SS..Hα-helixtrans-61.6-41.1171.7-72.2174.1-173.100110.8Q382 R383 V389 A390Q382-E386 HydrophobicContact CG-CG 4.49Å; Q382-E386 WeakPolarHBondContact CG-OE1 3.2Å; Q382-E386 PolarHBondContact NE2-OE1 2.51Å; Q382-E386 WeakPolarHBondContact O-CG 3.22Å; Q382-E386 PolarHBondContact O-N 2.92Å; R383-E386 PolarHBondContact O-N 2.63Å; E386-V389 PolarHBondContact O-N 3.26Å; E386-A390 WeakPolarHBondContact O-CB 3.35Å; E386-A390 PolarHBondContact O-N 3.3Å
387D85.2Confident76.3Confident77 Ų7781.1 Ų81.141%0.41244%0.437SS..Hα-helixtrans-63.7-41.7174.8-69.4-23.9000112R383 L384 K385 V389 A390 N391R383-D387 VanDerWaalsContact O-CG 3.31Å; R383-D387 PolarHBondContact O-N 3.01Å; L384-D387 PolarHBondContact O-N 3.17Å; K385-D387 VanDerWaalsContact C-N 3.3Å; D387-V389 VanDerWaalsContact C-N 3.31Å; D387-V389 PolarHBondContact O-N 2.95Å; D387-A390 PolarHBondContact O-N 2.95Å; D387-N391 WeakPolarHBondContact O-CB 3.38Å; D387-N391 VanDerWaalsContact O-CG 3.26Å; D387-N391 PolarHBondContact O-N 3.05Å; D387-N391 PolarHBondContact O-ND2 2.74Å; D387-N391 VanDerWaalsContact O-ND2 3.16Å
388E82.5Confident73.8Confident90 Ų9080.2 Ų80.242%0.42143%0.43SS..Hα-helixtrans-59.7-38.7174.3-78.4176.2-176.600112.7L384 K385 S394L384-E388 WeakPolarHBondContact O-CG 3.23Å; L384-E388 PolarHBondContact O-N 2.96Å; K385-E388 PolarHBondContact O-N 2.81Å; E388-S394 WeakPolarHBondContact O-CB 3.27Å
389V77.8Confident71.6Confident65 Ų6588 Ų8839%0.39446%0.464SS..Hα-helixtrans-76.8-32.6178.5174.80000111.9K385 E386 D387 K400K385-V389 VanDerWaalsContact O-CG2 3.31Å; K385-V389 WeakPolarHBondContact O-CG2 3.46Å; K385-V389 PolarHBondContact O-N 3.43Å; K385-V389 VanDerWaalsContact O-N 3.09Å; E386-V389 PolarHBondContact O-N 3.26Å; D387-V389 VanDerWaalsContact C-N 3.31Å; D387-V389 PolarHBondContact O-N 2.95Å; V389-K400 HydrophobicContact CG1-CG 4.43Å; V389-K400 VanDerWaalsContact O-CE 3.32Å; V389-K400 WeakPolarHBondContact O-CE 3.36Å
390A78.1Confident69.1Low65 Ų6592.2 Ų92.254%0.53748%0.483SS..Hα-helixtrans-72-35.2176.600000112.1E386 D387 P392E386-A390 WeakPolarHBondContact O-CB 3.35Å; E386-A390 PolarHBondContact O-N 3.3Å; D387-A390 PolarHBondContact O-N 2.95Å; A390-P392 WeakPolarHBondContact O-CD 3.36Å
391N74.7Confident67Low82 Ų8290.2 Ų90.244%0.43948%0.48SS..  trans-60.7119.4-177.3-83.9-34.2000112.4D387 S393 S394D387-N391 WeakPolarHBondContact O-CB 3.38Å; D387-N391 VanDerWaalsContact O-CG 3.26Å; D387-N391 PolarHBondContact O-N 3.05Å; D387-N391 PolarHBondContact O-ND2 2.74Å; D387-N391 VanDerWaalsContact O-ND2 3.16Å; N391-S393 VanDerWaalsContact C-N 3.31Å; N391-S393 PolarHBondContact O-N 3.42Å; N391-S394 PolarHBondContact O-N 3.43Å
392P59.9Low65.3Low93 Ų9394.1 Ų94.160%0.60450%0.497SS*.G310 helixtrans-67.1-28.1-174.523.4-31.4000114A390 S394 Q395A390-P392 WeakPolarHBondContact O-CD 3.36Å; P392-S394 VanDerWaalsContact C-N 3.26Å; P392-S394 PolarHBondContact O-N 3.1Å; P392-Q395 WeakPolarHBondContact O-CB 3.29Å; P392-Q395 WeakPolarHBondContact O-CG 3.44Å; P392-Q395 PolarHBondContact O-N 3Å
393S59.8Low63.9Low98 Ų9898.1 Ų98.169%0.68552%0.524SS*.G310 helixtrans-65.3-27.3176.843.70000113.3N391 Q395N391-S393 VanDerWaalsContact C-N 3.31Å; N391-S393 PolarHBondContact O-N 3.42Å; S393-Q395 VanDerWaalsContact C-N 3.33Å
394S51.7Low62.6Low44 Ų4494.1 Ų94.131%0.30851%0.513SS..G310 helixtrans-81.8-10.4178.4-50.60000113.3E388 N391 P392 T396 N397 T398E388-S394 WeakPolarHBondContact O-CB 3.27Å; N391-S394 PolarHBondContact O-N 3.43Å; P392-S394 VanDerWaalsContact C-N 3.26Å; P392-S394 PolarHBondContact O-N 3.1Å; S394-T396 PolarHBondContact O-N 3.07Å; S394-N397 PolarHBondContact O-N 3.03Å; S394-T398 PolarHBondContact O-OG1 3.11Å
395Q50.8Low61.8Low95 Ų9591.3 Ų91.344%0.44450%0.501SS..G310 helixtrans-68.7-3.4-175.3-66.8-179.417.500114.1P392 S393 N397P392-Q395 WeakPolarHBondContact O-CB 3.29Å; P392-Q395 WeakPolarHBondContact O-CG 3.44Å; P392-Q395 PolarHBondContact O-N 3Å; S393-Q395 VanDerWaalsContact C-N 3.33Å; Q395-N397 VanDerWaalsContact C-N 3.26Å; Q395-N397 PolarHBondContact O-N 2.89Å
396T46.2Very low61.4Low118 Ų11893.4 Ų93.472%0.72452%0.519SS*.G310 helixtrans-70.3-19.717844.90000113.2S394S394-T396 PolarHBondContact O-N 3.07Å
397N43.1Very low61.2Low147 Ų14791.7 Ų91.779%0.78651%0.511SS*.THydrogen-bonded Turntrans-148.6-1.1178.2-86-34.6000116.3S394 Q395 F399S394-N397 PolarHBondContact O-N 3.03Å; Q395-N397 VanDerWaalsContact C-N 3.26Å; Q395-N397 PolarHBondContact O-N 2.89Å; N397-F399 PolarHBondContact O-N 2.9Å
398T41.4Very low61Low66 Ų6690.2 Ų90.241%0.40551%0.505SS..  trans-85.9110.8176.146.20000110.4S394 K400S394-T398 PolarHBondContact O-OG1 3.11Å; T398-K400 PolarHBondContact O-N 3.16Å
399F43.8Very low60.9Low196 Ų19687.2 Ų87.286%0.8649%0.492SS*.  trans-49.294.8169.3-80.9-100.4000110.2N397 S401N397-F399 PolarHBondContact O-N 2.9Å; F399-S401 PolarHBondContact O-N 3.03Å
400K40.7Very low61.1Low117 Ų11785.4 Ų85.451%0.50948%0.481SS..  trans-68.685.7158.8-80.5-175.1173.3178.80106.5V389 T398 K402V389-K400 HydrophobicContact CG1-CG 4.43Å; V389-K400 VanDerWaalsContact O-CE 3.32Å; V389-K400 WeakPolarHBondContact O-CE 3.36Å; T398-K400 PolarHBondContact O-N 3.16Å; K400-K402 PolarHBondContact O-N 3.33Å; K400-K402 VanDerWaalsContact O-N 3.12Å
401S49.5Very low61.2Low65 Ų6585 Ų8546%0.45547%0.468SS..  trans-55.4117.3167.849.60000107.3F399 S405F399-S401 PolarHBondContact O-N 3.03Å; S401-S405 VanDerWaalsContact CB-OG 3.3Å; S401-S405 WeakPolarHBondContact CB-OG 3.41Å
402K52.9Low61.5Low166 Ų16687.3 Ų87.372%0.72248%0.476SS*.  trans-52.7147168.9-72.7-177.3178.2179.70108.6K400 D404 S405K400-K402 PolarHBondContact O-N 3.33Å; K400-K402 VanDerWaalsContact O-N 3.12Å; K402-D404 PolarHBondContact O-N 3.44Å; K402-S405 PolarHBondContact N-OG 3.26Å; K402-S405 WeakPolarHBondContact O-CB 3.46Å; K402-S405 PolarHBondContact O-N 3.36Å; K402-S405 PolarHBondContact O-OG 3.24Å
403P57.9Low62.6Low89 Ų8985.8 Ų85.858%0.57846%0.463SS*.THydrogen-bonded Turntrans-52.5-30.4-175.417.5-30.5000113.4
404D62.9Low63.6Low56 Ų5684.8 Ų84.830%0.29945%0.454SS..THydrogen-bonded Turntrans-109.426.1-179.5-50.2-50.7000113.3K402 S475K402-D404 PolarHBondContact O-N 3.44Å; D404-S475 PolarHBondContact OD1-OG 2.99Å
405S70Confident65.1Low36 Ų3689.1 Ų89.125%0.25247%0.474SS..SBendtrans-86.1151.4171.262.10000112S401 K402 Q407S401-S405 VanDerWaalsContact CB-OG 3.3Å; S401-S405 WeakPolarHBondContact CB-OG 3.41Å; K402-S405 PolarHBondContact N-OG 3.26Å; K402-S405 WeakPolarHBondContact O-CB 3.46Å; K402-S405 PolarHBondContact O-N 3.36Å; K402-S405 PolarHBondContact O-OG 3.24Å; S405-Q407 PolarHBondContact O-N 3.27Å
406V76.2Confident66.7Low99 Ų9987.7 Ų87.760%0.647%0.468SS*.  trans-61.6118.5178-177.30000109.2Q459 M461V406-Q459 WeakPolarHBondContact CA-O 3.49Å; V406-M461 HydrophobicContact CB-CE 4.17Å; V406-M461 HydrophobicContact CG1-CE 4.32Å; V406-M461 HydrophobicContact CG2-CE 3.43Å; V406-M461 VanDerWaalsContact CG2-CE 3.43Å; V406-M461 HydrophobicContact CG2-SD 4.1Å
407Q79.4Confident68.7Low62 Ų6282.8 Ų82.829%0.2944%0.437SS..  trans-107.5146.7174.7-61.7-169.515.400110.7S405 D409 Q459S405-Q407 PolarHBondContact O-N 3.27Å; Q407-D409 PolarHBondContact O-N 3.15Å; Q407-Q459 PolarHBondContact N-O 2.66Å; Q407-Q459 WeakPolarHBondContact O-CB 3.26Å
408P81Confident70.8Confident45 Ų4577.6 Ų77.629%0.29241%0.408SS..  trans-59.5134.417321.6-26.9000109.5P410 L416 Y417P408-P410 VanDerWaalsContact O-CD 3.25Å; P408-P410 WeakPolarHBondContact O-CD 3.31Å; P408-L416 HydrophobicContact CB-CD1 4.15Å; P408-L416 HydrophobicContact CG-CD1 4.15Å; P408-Y417 PolarHBondContact O-OH 3.44Å
409D81.8Confident73.1Confident27 Ų2777.8 Ų77.814%0.14441%0.41CS..  trans-64.7117.6178.7-176.3-13.5000108.7Q407 F411 Q412 N413 Q459Q407-D409 PolarHBondContact O-N 3.15Å; D409-F411 PolarHBondContact O-N 2.92Å; D409-F411 VanDerWaalsContact OD1-CB 3.27Å; D409-F411 WeakPolarHBondContact OD1-CB 3.22Å; D409-F411 PolarHBondContact OD1-N 3.08Å; D409-Q412 HydrophobicContact CB-CB 4.07Å; D409-Q412 HydrophobicContact CB-CG 4Å; D409-Q412 PolarHBondContact O-N 3.13Å; D409-Q412 VanDerWaalsContact O-N 3.08Å; D409-N413 PolarHBondContact O-N 3.34Å; D409-N413 PolarHBondContact O-ND2 3.44Å; D409-N413 VanDerWaalsContact O-ND2 3.08Å; D409-Q459 HydrophobicContact CB-CG 4.15Å
410P81.1Confident75.2Confident27 Ų2769.6 Ų69.618%0.17538%0.375CS..THydrogen-bonded Turntrans-59.3-30179.4-22.533.3000112.7P408 N413 P414 Y417 F499P408-P410 VanDerWaalsContact O-CD 3.25Å; P408-P410 WeakPolarHBondContact O-CD 3.31Å; P410-N413 CarbonylContact O-C 3.57Å; P410-P414 WeakPolarHBondContact O-CA 2.92Å; P410-Y417 HydrophobicContact CB-CD2 3.93Å; P410-Y417 HydrophobicContact CB-CE2 3.87Å; P410-Y417 HydrophobicContact CB-CG 4.36Å; P410-Y417 HydrophobicContact CG-CE1 4.33Å; P410-Y417 HydrophobicContact CG-CE2 4.07Å; P410-F499 HydrophobicContact CB-CB 4.34Å; P410-F499 HydrophobicContact CB-CD1 3.55Å; P410-F499 HydrophobicContact CB-CD2 3.8Å; P410-F499 HydrophobicContact CB-CE1 3.58Å; P410-F499 HydrophobicContact CB-CE2 3.83Å; P410-F499 HydrophobicContact CB-CG 3.64Å; P410-F499 HydrophobicContact CB-CZ 3.72Å; P410-F499 HydrophobicContact CG-CB 4.22Å; P410-F499 HydrophobicContact CG-CD1 4.22Å; P410-F499 HydrophobicContact CG-CD2 3.63Å; P410-F499 HydrophobicContact CG-CE1 4.48Å; P410-F499 HydrophobicContact CG-CE2 3.92Å; P410-F499 HydrophobicContact CG-CG 3.78Å; P410-F499 HydrophobicContact CG-CZ 4.33Å
411F81Confident77.6Confident58 Ų5866.1 Ų66.125%0.25436%0.36SS..THydrogen-bonded Turntrans-70.2-35.2178.1-171.2-94.2000112.1P125 E126 I129 V237 D409P125-F411 HydrophobicContact CB-CB 4.19Å; P125-F411 HydrophobicContact CB-CD1 3.7Å; P125-F411 HydrophobicContact CB-CD2 3.42Å; P125-F411 VanDerWaalsContact CB-CD2 3.42Å; P125-F411 HydrophobicContact CB-CE1 4.01Å; P125-F411 HydrophobicContact CB-CE2 3.75Å; P125-F411 HydrophobicContact CB-CG 3.43Å; P125-F411 VanDerWaalsContact CB-CG 3.43Å; P125-F411 HydrophobicContact CB-CZ 4.07Å; P125-F411 HydrophobicContact CG-CB 4.08Å; P125-F411 HydrophobicContact CG-CD1 4.42Å; P125-F411 HydrophobicContact CG-CD2 4.02Å; P125-F411 HydrophobicContact CG-CG 3.87Å; E126-F411 HydrophobicContact CG-CE2 4.36Å; I129-F411 HydrophobicContact CD1-CE1 3.65Å; I129-F411 HydrophobicContact CD1-CE2 4.33Å; I129-F411 HydrophobicContact CD1-CZ 3.23Å; I129-F411 HydrophobicContact CG1-CZ 4.46Å; V237-F411 HydrophobicContact CG1-CE2 4.4Å; V237-F411 HydrophobicContact CG1-CZ 4.4Å; D409-F411 PolarHBondContact O-N 2.92Å; D409-F411 VanDerWaalsContact OD1-CB 3.27Å; D409-F411 WeakPolarHBondContact OD1-CB 3.22Å; D409-F411 PolarHBondContact OD1-N 3.08Å
412Q80.3Confident79.5Confident129 Ų12964.8 Ų64.860%0.60335%0.346SS*.THydrogen-bonded Turntrans-85.4-24.5178.3-63.7179.9-5.900112.9D409 P414D409-Q412 HydrophobicContact CB-CB 4.07Å; D409-Q412 HydrophobicContact CB-CG 4Å; D409-Q412 PolarHBondContact O-N 3.13Å; D409-Q412 VanDerWaalsContact O-N 3.08Å; Q412-P414 WeakPolarHBondContact O-CD 3.45Å
413N82.6Confident81.1Confident62 Ų6260.4 Ų60.433%0.33234%0.341SS..  trans-125.555.6-175.7-55.1-90.3000111.4D409 P410 D415 L416 Y417D409-N413 PolarHBondContact O-N 3.34Å; D409-N413 PolarHBondContact O-ND2 3.44Å; D409-N413 VanDerWaalsContact O-ND2 3.08Å; P410-N413 CarbonylContact O-C 3.57Å; N413-D415 PolarHBondContact O-N 3.12Å; N413-D415 VanDerWaalsContact O-N 3.15Å; N413-L416 HydrophobicContact CB-CB 4.49Å; N413-L416 HydrophobicContact CB-CD1 3.66Å; N413-L416 HydrophobicContact CB-CG 4.01Å; N413-L416 WeakPolarHBondContact O-CB 3.25Å; N413-L416 PolarHBondContact O-N 3.37Å; N413-L416 VanDerWaalsContact O-N 3.12Å; N413-Y417 VanDerWaalsContact O-CD2 3.31Å; N413-Y417 WeakPolarHBondContact O-CD2 3.41Å
414P81.8Confident82.4Confident77 Ų7761.5 Ų61.550%0.534%0.342SS..G310 helixtrans-60.4-29.7-173.625.8-35.5000112.6P410 Q412 L416 Y417P410-P414 WeakPolarHBondContact O-CA 2.92Å; Q412-P414 WeakPolarHBondContact O-CD 3.45Å; P414-L416 PolarHBondContact O-N 3.11Å; P414-Y417 PolarHBondContact O-N 3.42Å; P414-Y417 VanDerWaalsContact O-O 3.09Å
415D83.1Confident83.5Confident135 Ų13560.2 Ų60.272%0.72234%0.336SS*.G310 helixtrans-62.2-29.6-179.7-63.5-38.2000113.1N413 Y417 K502N413-D415 PolarHBondContact O-N 3.12Å; N413-D415 VanDerWaalsContact O-N 3.15Å; D415-Y417 PolarHBondContact O-N 3.2Å; D415-K502 PolarHBondContact O-NZ 2.77Å
416L84.5Confident84.3Confident64 Ų6458.7 Ų58.734%0.33533%0.325SS..G310 helixtrans-71-11.7177.3-62-178.3000112.9P408 N413 P414 R501 K502P408-L416 HydrophobicContact CB-CD1 4.15Å; P408-L416 HydrophobicContact CG-CD1 4.15Å; N413-L416 HydrophobicContact CB-CB 4.49Å; N413-L416 HydrophobicContact CB-CD1 3.66Å; N413-L416 HydrophobicContact CB-CG 4.01Å; N413-L416 WeakPolarHBondContact O-CB 3.25Å; N413-L416 PolarHBondContact O-N 3.37Å; N413-L416 VanDerWaalsContact O-N 3.12Å; P414-L416 PolarHBondContact O-N 3.11Å; L416-R501 CarbonylContact O-C 3.51Å; L416-R501 VanDerWaalsContact O-CA 3.27Å; L416-R501 WeakPolarHBondContact O-CA 3.39Å; L416-R501 VanDerWaalsContact O-CG 3.22Å; L416-R501 WeakPolarHBondContact O-CG 3.28Å; L416-K502 PolarHBondContact O-N 3.36Å
417Y87Confident84.8Confident16 Ų1654 Ų546%0.06330%0.297CS..BIsolated β-bridgetrans-123151.7-172.7-61.4-88.3000112P408 P410 N413 P414 D415 F499 I500 R501 K502P408-Y417 PolarHBondContact O-OH 3.44Å; P410-Y417 HydrophobicContact CB-CD2 3.93Å; P410-Y417 HydrophobicContact CB-CE2 3.87Å; P410-Y417 HydrophobicContact CB-CG 4.36Å; P410-Y417 HydrophobicContact CG-CE1 4.33Å; P410-Y417 HydrophobicContact CG-CE2 4.07Å; N413-Y417 VanDerWaalsContact O-CD2 3.31Å; N413-Y417 WeakPolarHBondContact O-CD2 3.41Å; P414-Y417 PolarHBondContact O-N 3.42Å; P414-Y417 VanDerWaalsContact O-O 3.09Å; D415-Y417 PolarHBondContact O-N 3.2Å; Y417-F499 HydrophobicContact CD1-CB 3.57Å; Y417-F499 HydrophobicContact CD1-CG 4.47Å; Y417-F499 HydrophobicContact CE1-CB 3.9Å; Y417-F499 HydrophobicContact CG-CB 4.26Å; Y417-I500 CarbonylContact C-O 3.53Å; Y417-I500 WeakPolarHBondContact CA-O 3.34Å; Y417-R501 HydrophobicContact CD1-CB 4.15Å; Y417-R501 HydrophobicContact CE1-CB 4.09Å; Y417-R501 HydrophobicContact CE1-CG 4.47Å; Y417-K502 WeakPolarHBondContact O-CE 3.48Å; Y417-K502 PolarHBondContact O-NZ 2.81Å
418E88.3Confident85.4Confident38 Ų3851.1 Ų51.118%0.17828%0.283CS..  trans-66.7151.8167.8-62.7-65.8168.400110.4M378 K381 N420 I500 K502M378-E418 HydrophobicContact CE-CB 4.04Å; K381-E418 HydrophobicContact CD-CG 4.42Å; K381-E418 VanDerWaalsContact CE-CD 3.42Å; K381-E418 WeakPolarHBondContact CE-OE1 3.4Å; K381-E418 IonicContact NZ-OE1 2.66Å; K381-E418 PolarHBondContact NZ-OE1 2.96Å; K381-E418 IonicContact NZ-OE2 2.86Å; K381-E418 PolarHBondContact NZ-OE2 3.38Å; E418-N420 PolarHBondContact O-N 2.57Å; E418-I500 HydrophobicContact CB-CB 4.23Å; E418-I500 HydrophobicContact CG-CB 4.16Å; E418-I500 HydrophobicContact CG-CG2 4.17Å; E418-I500 PolarHBondContact N-O 3.38Å; E418-K502 HydrophobicContact CG-CG 4.2Å
419P88.4Confident86.1Confident70 Ų7049 Ų4946%0.45527%0.27SS..  trans-56.4138.5172.2-21.732.7000110.9M378 N430M378-P419 WeakPolarHBondContact CE-O 3.38Å; P419-N430 PolarHBondContact O-ND2 3.08Å
420N89.7Confident86.7Confident24 Ų2448.2 Ų48.213%0.12827%0.265CS..  trans-106.71.4-17961.3-13.7000113.5E418 N429 N430 P497 F499E418-N420 PolarHBondContact O-N 2.57Å; N420-N429 WeakPolarHBondContact O-CA 3.36Å; N420-N430 PolarHBondContact O-N 3.32Å; N420-N430 VanDerWaalsContact O-N 3.1Å; N420-N430 PolarHBondContact O-OD1 3.36Å; N420-P497 HydrophobicContact CB-CB 4.01Å; N420-P497 WeakPolarHBondContact ND2-CB 3.29Å; N420-P497 WeakPolarHBondContact ND2-CG 3.15Å; N420-F499 HydrophobicContact CB-CE1 4.43Å; N420-F499 WeakPolarHBondContact ND2-CE1 3.33Å
421F90.3Very high87.2Confident44 Ų4447.1 Ų47.119%0.19326%0.258CS..SBendtrans-126.5162.8178.255.3-103.6000111.2L239 P240 P426 S428 N430L239-F421 HydrophobicContact CD2-CE1 4.3Å; L239-F421 HydrophobicContact CD2-CZ 4.28Å; P240-F421 HydrophobicContact CG-CE2 3.91Å; P240-F421 HydrophobicContact CG-CZ 4.19Å; F421-P426 HydrophobicContact CD2-CB 3.76Å; F421-P426 HydrophobicContact CD2-CG 4.46Å; F421-P426 HydrophobicContact CE2-CB 3.87Å; F421-P426 HydrophobicContact CE2-CG 4.45Å; F421-P426 HydrophobicContact CG-CB 4.2Å; F421-P426 HydrophobicContact CZ-CB 4.41Å; F421-S428 WeakPolarHBondContact CA-O 3.44Å; F421-S428 VanDerWaalsContact CB-O 3.28Å; F421-S428 WeakPolarHBondContact CB-O 3.35Å; F421-N430 PolarHBondContact N-ND2 3.07Å; F421-N430 PolarHBondContact O-ND2 2.72Å; F421-N430 VanDerWaalsContact O-ND2 3.12Å
422F90.1Very high87.9Confident36 Ų3644.3 Ų44.316%0.15825%0.246CC..BIsolated β-bridgetrans-76140.6171.7-63.9-67.9000111.2L371 K374 L375 D424 D425 S428 N429 N430L371-F422 HydrophobicContact CD1-CE2 4.03Å; L371-F422 HydrophobicContact CD1-CZ 4.23Å; K374-F422 HydrophobicContact CB-CE1 4Å; K374-F422 HydrophobicContact CB-CZ 3.88Å; K374-F422 WeakPolarHBondContact O-CE1 3.32Å; L375-F422 HydrophobicContact CD2-CE2 4.16Å; L375-F422 HydrophobicContact CD2-CZ 3.65Å; L375-F422 HydrophobicContact CG-CZ 4.44Å; F422-D424 WeakPolarHBondContact CB-OD1 3.49Å; F422-D424 PolarHBondContact O-N 3.01Å; F422-D425 HydrophobicContact CB-CB 4.45Å; F422-D425 CarbonylContact O-C 3.15Å; F422-D425 PolarHBondContact O-N 2.84Å; F422-S428 WeakPolarHBondContact CD2-OG 3.49Å; F422-S428 PolarHBondContact N-OG 3.49Å; F422-S428 VanDerWaalsContact N-OG 3.14Å; F422-N429 VanDerWaalsContact CE2-O 3.28Å; F422-N429 WeakPolarHBondContact CE2-O 3.35Å; F422-N430 HydrophobicContact CD1-CB 3.83Å; F422-N430 HydrophobicContact CD2-CB 4.4Å; F422-N430 HydrophobicContact CE1-CB 3.81Å; F422-N430 HydrophobicContact CE2-CB 4.38Å; F422-N430 HydrophobicContact CG-CB 4.14Å; F422-N430 HydrophobicContact CZ-CB 4.12Å
423A85.9Confident88.6Confident75 Ų7540.2 Ų40.262%0.6223%0.225SC*.THydrogen-bonded Turntrans-60.9-31.7-176.300000113.1S242S242-A423 WeakPolarHBondContact CB-O 3.01Å; S242-A423 PolarHBondContact OG-O 3.39Å
424D85.1Confident89.3Confident112 Ų11237.2 Ų37.260%0.59921%0.209SC*.THydrogen-bonded Turntrans-82.3-15.5175.758.1-43.7000113.8F422F422-D424 WeakPolarHBondContact CB-OD1 3.49Å; F422-D424 PolarHBondContact O-N 3.01Å
425D86.7Confident90Very high29 Ų2936 Ų3616%0.15520%0.197CC..BIsolated β-bridgetrans-139.973.5-178.5-175.419.9000112R327 F422 G427 S428R327-D425 IonicContact CZ-OD1 3.52Å; R327-D425 IonicContact CZ-OD2 3.35Å; R327-D425 IonicContact NE-OD1 3.43Å; R327-D425 PolarHBondContact NE-OD1 3.38Å; R327-D425 IonicContact NE-OD2 2.69Å; R327-D425 PolarHBondContact NE-OD2 2.8Å; R327-D425 IonicContact NH2-OD1 2.77Å; R327-D425 PolarHBondContact NH2-OD1 3.29Å; R327-D425 IonicContact NH2-OD2 3.24Å; R327-D425 PolarHBondContact NH2-OD2 3.46Å; F422-D425 HydrophobicContact CB-CB 4.45Å; F422-D425 CarbonylContact O-C 3.15Å; F422-D425 PolarHBondContact O-N 2.84Å; D425-G427 PolarHBondContact O-N 3.36Å; D425-S428 VanDerWaalsContact O-CB 3.25Å; D425-S428 WeakPolarHBondContact O-CB 3.28Å; D425-S428 PolarHBondContact O-N 2.98Å; D425-S428 VanDerWaalsContact O-N 3.17Å; D425-S428 PolarHBondContact O-OG 3.15Å; D425-S428 WeakPolarHBondContact OD2-CB 3.14Å
426P85.2Confident90.7Very high3 Ų329.6 Ų29.62%0.01916%0.163CC..THydrogen-bonded Turntrans-69.5137.8-178.9-7.421.8000111.3P240 F243 F421P240-P426 HydrophobicContact CG-CG 4.24Å; F243-P426 HydrophobicContact CB-CG 4.05Å; F243-P426 HydrophobicContact CD2-CB 3.66Å; F243-P426 HydrophobicContact CD2-CG 3.89Å; F243-P426 HydrophobicContact CE2-CB 4.32Å; F243-P426 HydrophobicContact CG-CG 4.48Å; F421-P426 HydrophobicContact CD2-CB 3.76Å; F421-P426 HydrophobicContact CD2-CG 4.46Å; F421-P426 HydrophobicContact CE2-CB 3.87Å; F421-P426 HydrophobicContact CE2-CG 4.45Å; F421-P426 HydrophobicContact CG-CB 4.2Å; F421-P426 HydrophobicContact CZ-CB 4.41Å
427G87.1Confident91.3Very high2 Ų227.9 Ų27.92%0.02115%0.153CC..THydrogen-bonded Turntrans92.20.8-168.600000114.3R254 F255 A330 D425R254-G427 CarbonylContact O-C 3.44Å; F255-G427 VanDerWaalsContact CD1-CA 3.47Å; F255-G427 VanDerWaalsContact CE1-CA 3.49Å; A330-G427 WeakPolarHBondContact CB-O 3.16Å; A330-G427 PolarHBondContact N-O 2.9Å; D425-G427 PolarHBondContact O-N 3.36Å
428S92.5Very high91.7Very high1 Ų127.1 Ų27.11%0.00715%0.15CC..BIsolated β-bridgetrans-81.2177.316363.10000112.3L328 F421 F422 D425L328-S428 VanDerWaalsContact O-CA 3.26Å; L328-S428 WeakPolarHBondContact O-CA 3.43Å; L328-S428 WeakPolarHBondContact O-CB 3.31Å; F421-S428 WeakPolarHBondContact CA-O 3.44Å; F421-S428 VanDerWaalsContact CB-O 3.28Å; F421-S428 WeakPolarHBondContact CB-O 3.35Å; F422-S428 WeakPolarHBondContact CD2-OG 3.49Å; F422-S428 PolarHBondContact N-OG 3.49Å; F422-S428 VanDerWaalsContact N-OG 3.14Å; D425-S428 VanDerWaalsContact O-CB 3.25Å; D425-S428 WeakPolarHBondContact O-CB 3.28Å; D425-S428 PolarHBondContact O-N 2.98Å; D425-S428 VanDerWaalsContact O-N 3.17Å; D425-S428 PolarHBondContact O-OG 3.15Å; D425-S428 WeakPolarHBondContact OD2-CB 3.14Å
429N95Very high92.2Very high1 Ų125.3 Ų25.31%0.00514%0.142CC..  trans-109.3130.5167.3-176.2-55.8000110.2L328 N420 F422 S431 G432 Y433 Y434L328-N429 HydrophobicContact CB-CB 4.07Å; L328-N429 PolarHBondContact O-N 3.12Å; L328-N429 VanDerWaalsContact O-N 3.09Å; N420-N429 WeakPolarHBondContact O-CA 3.36Å; F422-N429 VanDerWaalsContact CE2-O 3.28Å; F422-N429 WeakPolarHBondContact CE2-O 3.35Å; N429-S431 PolarHBondContact OD1-N 3.25Å; N429-S431 PolarHBondContact OD1-OG 3.12Å; N429-G432 PolarHBondContact OD1-N 2.76Å; N429-Y433 PolarHBondContact ND2-O 2.82Å; N429-Y434 HydrophobicContact CB-CE1 4.27Å
430N94.2Very high92.7Very high10 Ų1022 Ų225%0.05312%0.12CC..SBendtrans-102.2-1.4-174.669.32.9000116.1L375 M378 P419 N420 F421 F422L375-N430 WeakPolarHBondContact CD2-O 3.29Å; M378-N430 WeakPolarHBondContact CB-O 3.4Å; M378-N430 HydrophobicContact CG-CB 4.32Å; P419-N430 PolarHBondContact O-ND2 3.08Å; N420-N430 PolarHBondContact O-N 3.32Å; N420-N430 VanDerWaalsContact O-N 3.1Å; N420-N430 PolarHBondContact O-OD1 3.36Å; F421-N430 PolarHBondContact N-ND2 3.07Å; F421-N430 PolarHBondContact O-ND2 2.72Å; F421-N430 VanDerWaalsContact O-ND2 3.12Å; F422-N430 HydrophobicContact CD1-CB 3.83Å; F422-N430 HydrophobicContact CD2-CB 4.4Å; F422-N430 HydrophobicContact CE1-CB 3.81Å; F422-N430 HydrophobicContact CE2-CB 4.38Å; F422-N430 HydrophobicContact CG-CB 4.14Å; F422-N430 HydrophobicContact CZ-CB 4.12Å
431S93.5Very high93Very high3 Ų320.9 Ų20.92%0.02111%0.114CC..SBendtrans-118.4-20.6-18070.40000113.2R379 N429 Y433R379-S431 VanDerWaalsContact CD-O 3.22Å; R379-S431 WeakPolarHBondContact CD-O 3.26Å; R379-S431 WeakPolarHBondContact CG-O 3.29Å; R379-S431 PolarHBondContact NH1-O 3.11Å; R379-S431 VanDerWaalsContact NH1-O 3.09Å; N429-S431 PolarHBondContact OD1-N 3.25Å; N429-S431 PolarHBondContact OD1-OG 3.12Å; S431-Y433 PolarHBondContact O-N 3.01Å; S431-Y433 PolarHBondContact OG-N 3.26Å; S431-Y433 VanDerWaalsContact OG-N 3.16Å
432G94.4Very high93.1Very high0 Ų018.8 Ų18.80%011%0.105CC..SBendtrans76-1.3-172.300000113.1M363 N429M363-G432 PolarHBondContact N-O 3.23Å; N429-G432 PolarHBondContact OD1-N 2.76Å
433Y96.3Very high93.1Very high42 Ų4220.4 Ų20.417%0.16511%0.113CC..EExtended strand (participates in β ladder)trans-92.1135.1173-67.2-68.9000110.4T360 L361 D362 R379 Q382 N429 S431 H498T360-Y433 HydrophobicContact CG2-CD1 4.46Å; L361-Y433 WeakPolarHBondContact O-CA 3.48Å; D362-Y433 HydrophobicContact CB-CD1 4.01Å; D362-Y433 HydrophobicContact CB-CE1 3.88Å; R379-Y433 HydrophobicContact CB-CE2 4.16Å; R379-Y433 HydrophobicContact CG-CD2 4.22Å; R379-Y433 HydrophobicContact CG-CE2 3.79Å; R379-Y433 PolarHBondContact NH2-OH 3.45Å; Q382-Y433 VanDerWaalsContact CD-CD2 3.45Å; N429-Y433 PolarHBondContact ND2-O 2.82Å; S431-Y433 PolarHBondContact O-N 3.01Å; S431-Y433 PolarHBondContact OG-N 3.26Å; S431-Y433 VanDerWaalsContact OG-N 3.16Å; Y433-H498 PolarHBondContact O-N 2.99Å
434Y97.2Very high93.1Very high0 Ų017.9 Ų17.90%09%0.094CC..EExtended strand (participates in β ladder)trans-125.1150.4174.1-68.3-94.1000111.1L328 P329 A330 L332 T360 L361 M363 N429 G496L328-Y434 WeakPolarHBondContact CB-OH 3.19Å; L328-Y434 HydrophobicContact CD1-CE2 4.39Å; L328-Y434 HydrophobicContact CD2-CE2 4.06Å; P329-Y434 VanDerWaalsContact O-CE1 3.27Å; P329-Y434 WeakPolarHBondContact O-CE1 3.29Å; P329-Y434 PolarHBondContact O-OH 3.1Å; A330-Y434 WeakPolarHBondContact O-CE1 3.44Å; L332-Y434 HydrophobicContact CB-CD1 3.97Å; L332-Y434 HydrophobicContact CB-CE1 3.69Å; L332-Y434 HydrophobicContact CB-CE2 4.48Å; L332-Y434 HydrophobicContact CB-CG 4.48Å; L332-Y434 HydrophobicContact CD2-CD2 4.35Å; L332-Y434 HydrophobicContact CD2-CE2 4.19Å; T360-Y434 CarbonylContact C-O 3.53Å; T360-Y434 VanDerWaalsContact CA-O 3.28Å; T360-Y434 WeakPolarHBondContact CA-O 3.29Å; L361-Y434 PolarHBondContact N-O 2.93Å; L361-Y434 PolarHBondContact O-N 3.33Å; M363-Y434 HydrophobicContact CB-CD2 4.46Å; M363-Y434 HydrophobicContact CB-CE2 4.19Å; M363-Y434 HydrophobicContact CG-CD2 3.83Å; M363-Y434 HydrophobicContact CG-CE2 3.8Å; N429-Y434 HydrophobicContact CB-CE1 4.27Å; Y434-G496 CarbonylContact C-O 3.49Å; Y434-G496 WeakPolarHBondContact CA-O 3.42Å; Y434-G496 WeakPolarHBondContact CB-O 3.27Å; Y434-G496 WeakPolarHBondContact CD1-O 3.35Å
435E96.3Very high92.6Very high50 Ų5020 Ų2023%0.2349%0.094CC..EExtended strand (participates in β ladder)trans-115.2135.1174-169.3173.8166.500110L359 Q437 K457 Y495 G496 H498L359-E435 CarbonylContact O-C 3.54Å; L359-E435 WeakPolarHBondContact O-CA 3.44Å; E435-Q437 PolarHBondContact O-N 2.9Å; E435-K457 IonicContact OE1-NZ 3.39Å; E435-K457 PolarHBondContact OE1-NZ 3.34Å; E435-Y495 CarbonylContact O-C 3.54Å; E435-Y495 WeakPolarHBondContact O-CA 3.25Å; E435-G496 PolarHBondContact N-O 3.09Å; E435-G496 PolarHBondContact O-N 3.12Å; E435-H498 IonicContact OE2-ND1 3.69Å; E435-H498 PolarHBondContact OE2-ND1 3.01Å
436L97.5Very high91.9Very high1 Ų120.5 Ų20.51%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-67.1121178.8-170.569000108.9F357 L359 V439 W462 I478 L493 Y495F357-L436 HydrophobicContact CD2-CD2 3.94Å; F357-L436 HydrophobicContact CE2-CD2 3.67Å; L359-L436 HydrophobicContact CD2-CD2 4.04Å; L359-L436 WeakPolarHBondContact O-CB 3.27Å; L359-L436 PolarHBondContact O-N 2.78Å; L436-V439 HydrophobicContact CD1-CG2 4.12Å; L436-V439 HydrophobicContact CD2-CG2 3.71Å; L436-V439 HydrophobicContact CG-CG2 4.12Å; L436-W462 HydrophobicContact CB-CH2 4.36Å; L436-W462 HydrophobicContact CB-CZ2 4.49Å; L436-W462 HydrophobicContact CD2-CH2 4.15Å; L436-W462 HydrophobicContact CD2-CZ2 4.45Å; L436-W462 HydrophobicContact CG-CH2 3.92Å; L436-W462 HydrophobicContact CG-CZ2 4.42Å; L436-W462 VanDerWaalsContact O-CH2 3.3Å; L436-W462 WeakPolarHBondContact O-CH2 3.28Å; L436-W462 VanDerWaalsContact O-CZ2 3.25Å; L436-W462 WeakPolarHBondContact O-CZ2 3.32Å; L436-I478 HydrophobicContact CD2-CG2 3.77Å; L436-L493 HydrophobicContact CD1-CB 3.98Å; L436-L493 HydrophobicContact CD1-CD2 4.08Å; L436-L493 HydrophobicContact CD1-CG 4.46Å; L436-Y495 HydrophobicContact CB-CD1 4.04Å; L436-Y495 HydrophobicContact CB-CE1 3.67Å; L436-Y495 HydrophobicContact CD1-CD1 4.15Å; L436-Y495 HydrophobicContact CD1-CD2 4.1Å; L436-Y495 HydrophobicContact CD1-CE1 3.84Å; L436-Y495 HydrophobicContact CD1-CE2 3.81Å; L436-Y495 HydrophobicContact CD1-CG 4.27Å; L436-Y495 HydrophobicContact CG-CE1 4.33Å
437Q95.7Very high91.1Very high29 Ų2921 Ų2114%0.13610%0.102CC..EExtended strand (participates in β ladder)trans-117.9-18.5179.966.2170.519.400112.9E435 V456 K457 L494E435-Q437 PolarHBondContact O-N 2.9Å; Q437-V456 CarbonylContact O-C 3.52Å; Q437-V456 WeakPolarHBondContact O-CA 3.42Å; Q437-K457 PolarHBondContact O-N 3.08Å; Q437-L494 HydrophobicContact CG-CD2 4.26Å; Q437-L494 HydrophobicContact CG-CG 4.04Å; Q437-L494 VanDerWaalsContact CG-O 3.25Å; Q437-L494 WeakPolarHBondContact CG-O 3.48Å; Q437-L494 PolarHBondContact N-O 2.8Å; Q437-L494 VanDerWaalsContact NE2-CD2 3.32Å
438G97.4Very high90.3Very high0 Ų024.1 Ų24.10%012%0.12CC..EExtended strand (participates in β ladder)trans-149.6140.8-178.100000112W455 L494G438-W455 CarbonylContact C-O 3.45Å; G438-W455 VanDerWaalsContact CA-O 3.24Å; G438-W455 WeakPolarHBondContact CA-O 3.28Å; G438-L494 PolarHBondContact N-O 3.43Å; G438-L494 PolarHBondContact O-N 2.85Å
439V98.1Very high89.4Confident0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-132.2127.8169.8-1780000107.9F357 L436 A454 W455 I478 L481 A490 I492 L493F357-V439 HydrophobicContact CE2-CG2 4.5Å; L436-V439 HydrophobicContact CD1-CG2 4.12Å; L436-V439 HydrophobicContact CD2-CG2 3.71Å; L436-V439 HydrophobicContact CG-CG2 4.12Å; V439-A454 CarbonylContact O-C 3.49Å; V439-A454 WeakPolarHBondContact O-CA 3.42Å; V439-W455 HydrophobicContact CB-CB 4.14Å; V439-W455 HydrophobicContact CB-CG 4.46Å; V439-W455 PolarHBondContact N-O 3.43Å; V439-W455 VanDerWaalsContact O-CD1 3.31Å; V439-W455 PolarHBondContact O-N 2.85Å; V439-I478 HydrophobicContact CG2-CG2 3.95Å; V439-L481 HydrophobicContact CB-CD1 4.24Å; V439-L481 HydrophobicContact CG1-CD1 3.82Å; V439-A490 HydrophobicContact CG1-CB 3.82Å; V439-I492 CarbonylContact C-O 3.58Å; V439-I492 WeakPolarHBondContact CA-O 3.26Å; V439-L493 HydrophobicContact CB-CD2 4.28Å; V439-L493 HydrophobicContact CG1-CD2 3.88Å; V439-L493 HydrophobicContact CG2-CD2 3.74Å
440L97.7Very high88.9Confident0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-98.1118.9162.8-168.1155.8000106.8A116 A117 L120 A212 Y452 Y491 I492A116-L440 HydrophobicContact CB-CD1 3.72Å; A116-L440 HydrophobicContact CB-CG 3.77Å; A117-L440 HydrophobicContact CB-CD1 4.25Å; L120-L440 HydrophobicContact CD1-CB 4.07Å; L120-L440 HydrophobicContact CD2-CB 3.8Å; A212-L440 HydrophobicContact CB-CD1 3.98Å; A212-L440 HydrophobicContact CB-CD2 3.73Å; L440-Y452 HydrophobicContact CD2-CD1 3.56Å; L440-Y452 HydrophobicContact CD2-CE1 4.18Å; L440-Y452 HydrophobicContact CD2-CG 4.44Å; L440-Y491 HydrophobicContact CD2-CD1 3.91Å; L440-Y491 WeakPolarHBondContact O-CA 3.39Å; L440-Y491 WeakPolarHBondContact O-CB 3.4Å; L440-Y491 PolarHBondContact O-N 2.82Å; L440-I492 HydrophobicContact CB-CB 3.98Å; L440-I492 HydrophobicContact CD1-CD1 4.34Å; L440-I492 PolarHBondContact N-O 3.49Å; L440-I492 PolarHBondContact O-N 2.79Å
441S96Very high88.8Confident0 Ų029.7 Ų29.70%016%0.16CC..EExtended strand (participates in β ladder)trans-109156.5-18075.50000111.4Y452 V453 W455 H488 C489S441-Y452 WeakPolarHBondContact O-CA 3.37Å; S441-V453 PolarHBondContact N-O 3.3Å; S441-V453 PolarHBondContact O-N 3.03Å; S441-V453 PolarHBondContact OG-O 3.35Å; S441-W455 PolarHBondContact OG-NE1 3.3Å; S441-H488 PolarHBondContact OG-ND1 3.17Å; S441-H488 VanDerWaalsContact OG-ND1 3.13Å; S441-C489 CarbonylContact C-O 3.58Å; S441-C489 WeakPolarHBondContact CA-O 3.38Å; S441-C489 WeakPolarHBondContact CB-O 3.25Å
442H93.1Very high88.9Confident0 Ų029.6 Ų29.60%016%0.159CC..EExtended strand (participates in β ladder)trans-126.8122.3174-176.7-107.9000110.9F339 K350 T446 H451 Y452 C489F339-H442 AromaticContact CZ-ND1 3.69Å; K350-H442 PolarHBondContact NZ-ND1 3.05Å; K350-H442 PolarHBondContact NZ-O 3.2Å; H442-T446 PolarHBondContact CE1-O 3.19Å; H442-H451 WeakPolarHBondContact CA-O 3.27Å; H442-Y452 HydrophobicContact CB-CD1 3.82Å; H442-Y452 HydrophobicContact CB-CE1 3.69Å; H442-Y452 AromaticContact CD2-CD1 3.54Å; H442-Y452 AromaticContact CD2-CD2 3.92Å; H442-Y452 AromaticContact CD2-CE1 3.31Å; H442-Y452 WeakPolarHBondContact CD2-CE1 3.23Å; H442-Y452 AromaticContact CD2-CE2 3.69Å; H442-Y452 AromaticContact CD2-CG 3.86Å; H442-Y452 AromaticContact CD2-CZ 3.4Å; H442-Y452 VanDerWaalsContact CD2-CZ 3.4Å; H442-Y452 AromaticContact CG-CE1 3.68Å; H442-C489 PolarHBondContact N-O 3.04Å; H442-C489 PolarHBondContact O-N 3.44Å; H442-C489 VanDerWaalsContact O-N 3.11Å; H442-C489 PolarHBondContact O-SG 2.9Å; H442-C489 VanDerWaalsContact O-SG 3.35Å
443Q90.3Very high89Confident70 Ų7029.6 Ų29.633%0.32716%0.159SC..EExtended strand (participates in β ladder)trans-96139.1167.5-176.5-177.55.900109.3G450 H451 H488Q443-G450 CarbonylContact O-C 3.56Å; Q443-G450 WeakPolarHBondContact O-CA 3.2Å; Q443-H451 HydrophobicContact CB-CB 4.41Å; Q443-H451 PolarHBondContact N-O 3.16Å; Q443-H451 PolarHBondContact O-N 2.81Å; Q443-H488 PolarHBondContact OE1-NE2 2.73Å
444G85.1Confident89.1Confident22 Ų2227.6 Ų27.623%0.22715%0.151CC..SBendtrans113.5166.8-177.600000113.5K350K350-G444 WeakPolarHBondContact CD-O 3.41Å; K350-G444 WeakPolarHBondContact CE-O 3.42Å; K350-G444 PolarHBondContact NZ-O 3.38Å
445R76Confident89.2Confident158 Ų15828 Ų2860%0.59615%0.153SC*.SBendtrans-101.7-19.1-164.8-69.3-175.8175.7155.8-2.3115.3K350 D486K350-R445 WeakPolarHBondContact CB-O 3.31Å; R445-D486 IonicContact CZ-OD1 2.81Å; R445-D486 IonicContact CZ-OD2 3.62Å; R445-D486 IonicContact NE-OD1 2.63Å; R445-D486 PolarHBondContact NE-OD1 3.26Å; R445-D486 IonicContact NE-OD2 3.32Å; R445-D486 VanDerWaalsContact NH2-CG 3.3Å; R445-D486 IonicContact NH2-OD1 3.15Å; R445-D486 PolarHBondContact NH2-OD1 2.87Å; R445-D486 VanDerWaalsContact NH2-OD1 3.15Å; R445-D486 IonicContact NH2-OD2 2.72Å; R445-D486 PolarHBondContact NH2-OD2 3.39Å
446T71.6Confident89.2Confident38 Ų3826.2 Ų26.223%0.23315%0.145CC..SBendtrans-119.4171.7179.867.90000110.3F339 H442 T448 S449F339-T446 WeakPolarHBondContact CE1-O 3.45Å; H442-T446 PolarHBondContact CE1-O 3.19Å; T446-T448 PolarHBondContact OG1-OG1 3.14Å; T446-S449 WeakPolarHBondContact OG1-CB 3.41Å; T446-S449 PolarHBondContact OG1-N 3.39Å; T446-S449 VanDerWaalsContact OG1-N 3.1Å; T446-S449 PolarHBondContact OG1-OG 3.27Å
447S68.9Low89.1Confident15 Ų1528.2 Ų28.211%0.10515%0.154CC..SBendtrans-79.3-29.1172.348.90000112.3
448T69Low88.8Confident67 Ų6731.8 Ų31.841%0.41117%0.169SC..SBendtrans-87.4-5.1-177.655.50000113.8T446T446-T448 PolarHBondContact OG1-OG1 3.14Å
449S74.3Confident88.3Confident59 Ų5935 Ų3541%0.41318%0.184SC..SBendtrans-146.6136.8177.875.80000110.6T446T446-S449 WeakPolarHBondContact OG1-CB 3.41Å; T446-S449 PolarHBondContact OG1-N 3.39Å; T446-S449 VanDerWaalsContact OG1-N 3.1Å; T446-S449 PolarHBondContact OG1-OG 3.27Å
450G85.1Confident87.7Confident29 Ų2935.4 Ų35.430%0.29919%0.188SC..SBendtrans149.6-160.5177.700000111.3Q209 Q443Q209-G450 PolarHBondContact NE2-O 3.02Å; Q209-G450 PolarHBondContact OE1-O 3.39Å; Q443-G450 CarbonylContact O-C 3.56Å; Q443-G450 WeakPolarHBondContact O-CA 3.2Å
451H92.2Very high87.4Confident41 Ų4135.9 Ų35.919%0.1919%0.19CC..EExtended strand (participates in β ladder)trans-139.6123.8-178.9-168.343.8000111.1H442 Q443 D466 D467H442-H451 WeakPolarHBondContact CA-O 3.27Å; Q443-H451 HydrophobicContact CB-CB 4.41Å; Q443-H451 PolarHBondContact N-O 3.16Å; Q443-H451 PolarHBondContact O-N 2.81Å; H451-D466 IonicContact CD2-OD1 3.84Å; H451-D466 IonicContact CE1-OD1 2.67Å; H451-D466 IonicContact NE2-OD1 3.39Å; H451-D466 PolarHBondContact NE2-OD1 3.45Å; H451-D467 IonicContact CE1-OD2 2.77Å; H451-D467 PolarHBondContact CE1-OD2 2.79Å; H451-D467 VanDerWaalsContact CE1-OD2 3.32Å
452Y95.1Very high87.4Confident1 Ų136 Ų360%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-95133.6176.7-68.3-78.6000110.1Q210 A212 L440 S441 H442 Y491Q210-Y452 WeakPolarHBondContact O-CE2 3.43Å; A212-Y452 HydrophobicContact CB-CD1 3.59Å; A212-Y452 HydrophobicContact CB-CD2 4.31Å; A212-Y452 HydrophobicContact CB-CE1 3.47Å; A212-Y452 VanDerWaalsContact CB-CE1 3.47Å; A212-Y452 HydrophobicContact CB-CE2 4.23Å; A212-Y452 HydrophobicContact CB-CG 3.99Å; L440-Y452 HydrophobicContact CD2-CD1 3.56Å; L440-Y452 HydrophobicContact CD2-CE1 4.18Å; L440-Y452 HydrophobicContact CD2-CG 4.44Å; S441-Y452 WeakPolarHBondContact O-CA 3.37Å; H442-Y452 HydrophobicContact CB-CD1 3.82Å; H442-Y452 HydrophobicContact CB-CE1 3.69Å; H442-Y452 AromaticContact CD2-CD1 3.54Å; H442-Y452 AromaticContact CD2-CD2 3.92Å; H442-Y452 AromaticContact CD2-CE1 3.31Å; H442-Y452 WeakPolarHBondContact CD2-CE1 3.23Å; H442-Y452 AromaticContact CD2-CE2 3.69Å; H442-Y452 AromaticContact CD2-CG 3.86Å; H442-Y452 AromaticContact CD2-CZ 3.4Å; H442-Y452 VanDerWaalsContact CD2-CZ 3.4Å; H442-Y452 AromaticContact CG-CE1 3.68Å; Y452-Y491 AromaticContact CE1-CD1 3.8Å; Y452-Y491 HydrophobicContact CE1-CD1 3.8Å; Y452-Y491 HydrophobicContact CE1-CE1 4.08Å
453V97.1Very high87.6Confident0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-135.2135.2-178.3172.50000108.7S441 W455 K464 F465 D466 H488S441-V453 PolarHBondContact N-O 3.3Å; S441-V453 PolarHBondContact O-N 3.03Å; S441-V453 PolarHBondContact OG-O 3.35Å; V453-W455 HydrophobicContact CG1-CD2 4.42Å; V453-W455 HydrophobicContact CG1-CZ2 4.04Å; V453-K464 HydrophobicContact CG1-CD 4.23Å; V453-K464 HydrophobicContact CG1-CG 3.54Å; V453-F465 WeakPolarHBondContact CG1-O 3.15Å; V453-D466 HydrophobicContact CG2-CB 4.47Å; V453-H488 VanDerWaalsContact CG2-CE1 3.41Å; V453-H488 WeakPolarHBondContact CG2-CE1 3.32Å
454A98.1Very high87.9Confident0 Ų034.4 Ų34.40%018%0.183CC..EExtended strand (participates in β ladder)trans-93142.1172.100000110.8A116 Q119 L120 V439 F465A116-A454 HydrophobicContact CB-CB 4.02Å; Q119-A454 HydrophobicContact CB-CB 3.69Å; Q119-A454 HydrophobicContact CG-CB 4.48Å; L120-A454 HydrophobicContact CD1-CB 3.48Å; L120-A454 VanDerWaalsContact CD1-CB 3.48Å; V439-A454 CarbonylContact O-C 3.49Å; V439-A454 WeakPolarHBondContact O-CA 3.42Å; A454-F465 HydrophobicContact CB-CB 4.11Å; A454-F465 PolarHBondContact N-O 3.11Å; A454-F465 PolarHBondContact O-N 3.42Å
455W98.1Very high88.5Confident9 Ų934 Ų343%0.03418%0.175CC..EExtended strand (participates in β ladder)trans-127.7115.9175.9-49.376.9000106.5G438 V439 S441 V453 F463 K464 V473 I478 L481G438-W455 CarbonylContact C-O 3.45Å; G438-W455 VanDerWaalsContact CA-O 3.24Å; G438-W455 WeakPolarHBondContact CA-O 3.28Å; V439-W455 HydrophobicContact CB-CB 4.14Å; V439-W455 HydrophobicContact CB-CG 4.46Å; V439-W455 PolarHBondContact N-O 3.43Å; V439-W455 VanDerWaalsContact O-CD1 3.31Å; V439-W455 PolarHBondContact O-N 2.85Å; S441-W455 PolarHBondContact OG-NE1 3.3Å; V453-W455 HydrophobicContact CG1-CD2 4.42Å; V453-W455 HydrophobicContact CG1-CZ2 4.04Å; W455-F463 CarbonylContact C-O 3.37Å; W455-F463 VanDerWaalsContact CA-O 3.3Å; W455-F463 WeakPolarHBondContact CA-O 3.31Å; W455-K464 HydrophobicContact CD2-CB 4.28Å; W455-K464 HydrophobicContact CD2-CG 4.04Å; W455-K464 HydrophobicContact CE3-CB 3.63Å; W455-K464 HydrophobicContact CE3-CG 3.75Å; W455-K464 HydrophobicContact CH2-CB 4.23Å; W455-K464 HydrophobicContact CH2-CD 3.54Å; W455-K464 HydrophobicContact CH2-CG 3.64Å; W455-K464 HydrophobicContact CZ2-CD 4.02Å; W455-K464 HydrophobicContact CZ2-CG 3.91Å; W455-K464 HydrophobicContact CZ3-CB 3.63Å; W455-K464 HydrophobicContact CZ3-CD 3.83Å; W455-K464 HydrophobicContact CZ3-CG 3.57Å; W455-V473 HydrophobicContact CE3-CG2 3.86Å; W455-V473 HydrophobicContact CZ3-CB 4.37Å; W455-V473 HydrophobicContact CZ3-CG1 3.98Å; W455-V473 HydrophobicContact CZ3-CG2 4.01Å; W455-I478 HydrophobicContact CB-CD1 3.81Å; W455-I478 HydrophobicContact CD2-CD1 4.22Å; W455-I478 HydrophobicContact CE3-CD1 3.78Å; W455-I478 HydrophobicContact CG-CD1 4.26Å; W455-L481 HydrophobicContact CD2-CD1 3.87Å; W455-L481 HydrophobicContact CG-CD1 3.85Å; W455-L481 HydrophobicContact CH2-CD2 4.33Å; W455-L481 HydrophobicContact CZ2-CD1 4.49Å; W455-L481 HydrophobicContact CZ2-CD2 3.76Å
456V97.4Very high89.5Confident11 Ų1128.4 Ų28.47%0.06716%0.156CC..EExtended strand (participates in β ladder)trans-128.8136.2-172177.20000110.1L120 Q437 F463 F465L120-V456 HydrophobicContact CD1-CG2 4.36Å; Q437-V456 CarbonylContact O-C 3.52Å; Q437-V456 WeakPolarHBondContact O-CA 3.42Å; V456-F463 PolarHBondContact N-O 3.44Å; V456-F463 PolarHBondContact O-N 3.37Å; V456-F465 HydrophobicContact CB-CD2 4.31Å; V456-F465 HydrophobicContact CB-CE2 3.8Å; V456-F465 HydrophobicContact CG2-CD2 4.29Å; V456-F465 HydrophobicContact CG2-CE2 4.19Å
457K94.9Very high90.6Very high44 Ų4427.1 Ų27.119%0.19115%0.148CC..EExtended strand (participates in β ladder)trans-87.7129.4174-163.7176.4-176.1174.90109.6E435 Q437 G460 M461 W462E435-K457 IonicContact OE1-NZ 3.39Å; E435-K457 PolarHBondContact OE1-NZ 3.34Å; Q437-K457 PolarHBondContact O-N 3.08Å; K457-G460 WeakPolarHBondContact CE-O 3.48Å; K457-M461 CarbonylContact C-O 3.52Å; K457-M461 VanDerWaalsContact CA-O 3.32Å; K457-M461 WeakPolarHBondContact CA-O 3.33Å; K457-W462 HydrophobicContact CB-CD2 3.84Å; K457-W462 HydrophobicContact CB-CE3 3.86Å; K457-W462 HydrophobicContact CB-CH2 3.83Å; K457-W462 HydrophobicContact CB-CZ2 3.84Å; K457-W462 HydrophobicContact CB-CZ3 3.85Å; K457-W462 HydrophobicContact CD-CZ2 3.86Å; K457-W462 HydrophobicContact CG-CD2 4.15Å; K457-W462 HydrophobicContact CG-CZ2 4.21Å
458K90.4Very high91.8Very high104 Ų10429.7 Ų29.745%0.45216%0.161SC..EExtended strand (participates in β ladder)trans-136.4122.6174.6-176.9-179.4179.6-175.10109G460 M461 F463K458-G460 VanDerWaalsContact C-N 3.25Å; K458-G460 PolarHBondContact O-N 3.21Å; K458-M461 PolarHBondContact N-O 3.29Å; K458-M461 PolarHBondContact O-N 2.79Å; K458-F463 HydrophobicContact CB-CD2 4.13Å; K458-F463 HydrophobicContact CB-CE2 3.94Å
459Q86.4Confident93Very high68 Ų6832.8 Ų32.832%0.31817%0.165SC..THydrogen-bonded Turntrans52.541177.8-66.2174.8-29.700113.4V406 Q407 D409 M461V406-Q459 WeakPolarHBondContact CA-O 3.49Å; Q407-Q459 PolarHBondContact N-O 2.66Å; Q407-Q459 WeakPolarHBondContact O-CB 3.26Å; D409-Q459 HydrophobicContact CB-CG 4.15Å; Q459-M461 VanDerWaalsContact C-N 3.29Å; Q459-M461 PolarHBondContact O-N 2.9Å
460G86.1Confident94Very high7 Ų731.1 Ų31.17%0.07215%0.152CC..THydrogen-bonded Turntrans87.1-18-178.400000115.1K457 K458K457-G460 WeakPolarHBondContact CE-O 3.48Å; K458-G460 VanDerWaalsContact C-N 3.25Å; K458-G460 PolarHBondContact O-N 3.21Å
461M91.5Very high94.4Very high10 Ų1032.1 Ų32.15%0.04916%0.155CC..EExtended strand (participates in β ladder)trans-101.2144.3-176.8-67172.6-80.700112.1I99 V406 K457 K458 Q459 F463I99-M461 HydrophobicContact CD1-SD 4.03Å; I99-M461 HydrophobicContact CG2-SD 4.35Å; V406-M461 HydrophobicContact CB-CE 4.17Å; V406-M461 HydrophobicContact CG1-CE 4.32Å; V406-M461 HydrophobicContact CG2-CE 3.43Å; V406-M461 VanDerWaalsContact CG2-CE 3.43Å; V406-M461 HydrophobicContact CG2-SD 4.1Å; K457-M461 CarbonylContact C-O 3.52Å; K457-M461 VanDerWaalsContact CA-O 3.32Å; K457-M461 WeakPolarHBondContact CA-O 3.33Å; K458-M461 PolarHBondContact N-O 3.29Å; K458-M461 PolarHBondContact O-N 2.79Å; Q459-M461 VanDerWaalsContact C-N 3.29Å; Q459-M461 PolarHBondContact O-N 2.9Å; M461-F463 HydrophobicContact CB-CE2 3.81Å; M461-F463 HydrophobicContact CB-CZ 3.99Å
462W95.8Very high94.5Very high2 Ų234.3 Ų34.31%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-96.5138176.9-73.798.2000112.1L436 K457 Q472 V473 S475 I478L436-W462 HydrophobicContact CB-CH2 4.36Å; L436-W462 HydrophobicContact CB-CZ2 4.49Å; L436-W462 HydrophobicContact CD2-CH2 4.15Å; L436-W462 HydrophobicContact CD2-CZ2 4.45Å; L436-W462 HydrophobicContact CG-CH2 3.92Å; L436-W462 HydrophobicContact CG-CZ2 4.42Å; L436-W462 VanDerWaalsContact O-CH2 3.3Å; L436-W462 WeakPolarHBondContact O-CH2 3.28Å; L436-W462 VanDerWaalsContact O-CZ2 3.25Å; L436-W462 WeakPolarHBondContact O-CZ2 3.32Å; K457-W462 HydrophobicContact CB-CD2 3.84Å; K457-W462 HydrophobicContact CB-CE3 3.86Å; K457-W462 HydrophobicContact CB-CH2 3.83Å; K457-W462 HydrophobicContact CB-CZ2 3.84Å; K457-W462 HydrophobicContact CB-CZ3 3.85Å; K457-W462 HydrophobicContact CD-CZ2 3.86Å; K457-W462 HydrophobicContact CG-CD2 4.15Å; K457-W462 HydrophobicContact CG-CZ2 4.21Å; W462-Q472 WeakPolarHBondContact O-CA 3.14Å; W462-V473 HydrophobicContact CB-CG2 3.71Å; W462-V473 WeakPolarHBondContact CB-O 3.32Å; W462-V473 PolarHBondContact O-N 3.3Å; W462-S475 PolarHBondContact NE1-OG 2.9Å; W462-I478 HydrophobicContact CB-CD1 4.31Å; W462-I478 HydrophobicContact CB-CG1 4.32Å; W462-I478 HydrophobicContact CD2-CD1 3.86Å; W462-I478 HydrophobicContact CD2-CG1 3.54Å; W462-I478 HydrophobicContact CE3-CD1 3.66Å; W462-I478 HydrophobicContact CE3-CG1 3.82Å; W462-I478 HydrophobicContact CG-CD1 4.17Å; W462-I478 HydrophobicContact CG-CG1 3.78Å; W462-I478 HydrophobicContact CH2-CG2 4.35Å; W462-I478 HydrophobicContact CZ2-CG1 4.35Å; W462-I478 HydrophobicContact CZ2-CG2 4.39Å; W462-I478 HydrophobicContact CZ3-CD1 4.25Å; W462-I478 HydrophobicContact CZ3-CG1 4.35Å
463F96.3Very high94.5Very high7 Ų735.3 Ų35.33%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-125.9129.6177.2-60.3-85.6000110I99 L101 P102 W455 V456 K458 M461 F465 V470 S471 Q472I99-F463 HydrophobicContact CG2-CE1 4.41Å; I99-F463 HydrophobicContact CG2-CZ 4.32Å; L101-F463 HydrophobicContact CD2-CD1 3.99Å; L101-F463 HydrophobicContact CD2-CE1 3.92Å; P102-F463 HydrophobicContact CG-CB 4.44Å; P102-F463 HydrophobicContact CG-CD1 4.26Å; P102-F463 HydrophobicContact CG-CG 4.15Å; W455-F463 CarbonylContact C-O 3.37Å; W455-F463 VanDerWaalsContact CA-O 3.3Å; W455-F463 WeakPolarHBondContact CA-O 3.31Å; V456-F463 PolarHBondContact N-O 3.44Å; V456-F463 PolarHBondContact O-N 3.37Å; K458-F463 HydrophobicContact CB-CD2 4.13Å; K458-F463 HydrophobicContact CB-CE2 3.94Å; M461-F463 HydrophobicContact CB-CE2 3.81Å; M461-F463 HydrophobicContact CB-CZ 3.99Å; F463-F465 HydrophobicContact CB-CD2 4.29Å; F463-F465 HydrophobicContact CB-CE2 3.6Å; F463-F465 HydrophobicContact CB-CZ 4.11Å; F463-F465 WeakPolarHBondContact O-CD2 3.32Å; F463-V470 HydrophobicContact CB-CG1 4.27Å; F463-V470 HydrophobicContact CD1-CG1 4.46Å; F463-S471 CarbonylContact C-O 3.57Å; F463-S471 VanDerWaalsContact CA-O 3.32Å; F463-S471 WeakPolarHBondContact CA-O 3.38Å; F463-Q472 HydrophobicContact CD1-CB 4.36Å; F463-Q472 HydrophobicContact CE1-CB 4.31Å; F463-Q472 HydrophobicContact CE1-CG 4.48Å
464K97.3Very high94.3Very high31 Ų3138 Ų3814%0.13519%0.187CC..EExtended strand (participates in β ladder)trans-88.1119.1169.1-176.3-163.5-174.4-156.10108.6V453 W455 D466 V470 S471 V473V453-K464 HydrophobicContact CG1-CD 4.23Å; V453-K464 HydrophobicContact CG1-CG 3.54Å; W455-K464 HydrophobicContact CD2-CB 4.28Å; W455-K464 HydrophobicContact CD2-CG 4.04Å; W455-K464 HydrophobicContact CE3-CB 3.63Å; W455-K464 HydrophobicContact CE3-CG 3.75Å; W455-K464 HydrophobicContact CH2-CB 4.23Å; W455-K464 HydrophobicContact CH2-CD 3.54Å; W455-K464 HydrophobicContact CH2-CG 3.64Å; W455-K464 HydrophobicContact CZ2-CD 4.02Å; W455-K464 HydrophobicContact CZ2-CG 3.91Å; W455-K464 HydrophobicContact CZ3-CB 3.63Å; W455-K464 HydrophobicContact CZ3-CD 3.83Å; W455-K464 HydrophobicContact CZ3-CG 3.57Å; K464-D466 HydrophobicContact CD-CB 4.45Å; K464-D466 IonicContact NZ-OD2 3.43Å; K464-D466 PolarHBondContact NZ-OD2 2.86Å; K464-V470 VanDerWaalsContact O-CA 3.3Å; K464-V470 WeakPolarHBondContact O-CA 3.28Å; K464-S471 PolarHBondContact N-O 3.16Å; K464-S471 PolarHBondContact O-N 3.1Å; K464-V473 HydrophobicContact CB-CG1 3.94Å
465F97.2Very high94Very high14 Ų1438.5 Ų38.56%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-101.690.9173.7-64-97.7000109.1P102 Q119 V453 A454 V456 F463 D467 V470P102-F465 HydrophobicContact CB-CE1 3.98Å; P102-F465 HydrophobicContact CB-CZ 3.95Å; P102-F465 HydrophobicContact CG-CE1 3.68Å; P102-F465 HydrophobicContact CG-CE2 4.41Å; P102-F465 HydrophobicContact CG-CZ 3.36Å; Q119-F465 HydrophobicContact CG-CB 4.12Å; Q119-F465 HydrophobicContact CG-CD1 4.18Å; Q119-F465 HydrophobicContact CG-CG 4.21Å; Q119-F465 VanDerWaalsContact NE2-CD1 3.33Å; V453-F465 WeakPolarHBondContact CG1-O 3.15Å; A454-F465 HydrophobicContact CB-CB 4.11Å; A454-F465 PolarHBondContact N-O 3.11Å; A454-F465 PolarHBondContact O-N 3.42Å; V456-F465 HydrophobicContact CB-CD2 4.31Å; V456-F465 HydrophobicContact CB-CE2 3.8Å; V456-F465 HydrophobicContact CG2-CD2 4.29Å; V456-F465 HydrophobicContact CG2-CE2 4.19Å; F463-F465 HydrophobicContact CB-CD2 4.29Å; F463-F465 HydrophobicContact CB-CE2 3.6Å; F463-F465 HydrophobicContact CB-CZ 4.11Å; F463-F465 WeakPolarHBondContact O-CD2 3.32Å; F465-D467 PolarHBondContact O-N 2.99Å; F465-V470 HydrophobicContact CD1-CG1 4.18Å; F465-V470 HydrophobicContact CD1-CG2 3.57Å; F465-V470 HydrophobicContact CE1-CG1 4.09Å; F465-V470 HydrophobicContact CE1-CG2 3.96Å; F465-V470 HydrophobicContact CG-CG2 4.35Å; F465-V470 HydrophobicContact CZ-CG1 4.4Å
466D96.3Very high93.8Very high39 Ų3944.2 Ų44.221%0.20922%0.218CC..EExtended strand (participates in β ladder)trans-93.778174.4-165.5-24.5000107.8H451 V453 K464 D468 R469H451-D466 IonicContact CD2-OD1 3.84Å; H451-D466 IonicContact CE1-OD1 2.67Å; H451-D466 IonicContact NE2-OD1 3.39Å; H451-D466 PolarHBondContact NE2-OD1 3.45Å; V453-D466 HydrophobicContact CG2-CB 4.47Å; K464-D466 HydrophobicContact CD-CB 4.45Å; K464-D466 IonicContact NZ-OD2 3.43Å; K464-D466 PolarHBondContact NZ-OD2 2.86Å; D466-D468 PolarHBondContact O-N 3.39Å; D466-D468 VanDerWaalsContact O-N 3.1Å; D466-R469 WeakPolarHBondContact CA-O 3.34Å; D466-R469 HydrophobicContact CB-CB 4.33Å; D466-R469 WeakPolarHBondContact CB-O 3.28Å; D466-R469 PolarHBondContact N-O 3.12Å; D466-R469 WeakPolarHBondContact O-CB 3.44Å; D466-R469 PolarHBondContact O-N 2.86Å
467D95.8Very high93.5Very high12 Ų1245.9 Ų45.96%0.06423%0.227CC..THydrogen-bonded Turntrans52.9-111.3-167.9-66.8-50000112.2G104 L105 N107 C112 N115 H451 F465G104-D467 CarbonylContact C-O 3.59Å; G104-D467 WeakPolarHBondContact CA-O 3.42Å; L105-D467 PolarHBondContact N-O 3.28Å; L105-D467 CarbonylContact O-C 3.46Å; L105-D467 VanDerWaalsContact O-CA 3.25Å; L105-D467 WeakPolarHBondContact O-CA 3.11Å; L105-D467 WeakPolarHBondContact O-CB 3.48Å; N107-D467 HydrophobicContact CB-CB 3.94Å; N107-D467 WeakPolarHBondContact CB-OD2 3.39Å; N107-D467 PolarHBondContact ND2-OD2 2.78Å; C112-D467 WeakPolarHBondContact CA-OD1 3.38Å; N115-D467 WeakPolarHBondContact CB-OD1 3.41Å; N115-D467 PolarHBondContact ND2-OD1 3.34Å; H451-D467 IonicContact CE1-OD2 2.77Å; H451-D467 PolarHBondContact CE1-OD2 2.79Å; H451-D467 VanDerWaalsContact CE1-OD2 3.32Å; F465-D467 PolarHBondContact O-N 2.99Å
468D93.9Very high93.5Very high68 Ų6843.8 Ų43.836%0.36422%0.217SC..THydrogen-bonded Turntrans-83.7-15.6179.162-33.1000113L105 V106 P166 D466L105-D468 PolarHBondContact O-N 3.38Å; V106-D468 HydrophobicContact CG2-CB 4.31Å; P166-D468 HydrophobicContact CB-CB 3.65Å; P166-D468 HydrophobicContact CG-CB 3.88Å; D466-D468 PolarHBondContact O-N 3.39Å; D466-D468 VanDerWaalsContact O-N 3.1Å
469R93.8Very high93.7Very high133 Ų13342.2 Ų42.250%0.50221%0.214SC..EExtended strand (participates in β ladder)trans-90.2110.4179.5-60.5-176.5-179.4-164.3-0.8109.8F34 D466F34-R469 VanDerWaalsContact CZ-NH1 3.35Å; D466-R469 WeakPolarHBondContact CA-O 3.34Å; D466-R469 HydrophobicContact CB-CB 4.33Å; D466-R469 WeakPolarHBondContact CB-O 3.28Å; D466-R469 PolarHBondContact N-O 3.12Å; D466-R469 WeakPolarHBondContact O-CB 3.44Å; D466-R469 PolarHBondContact O-N 2.86Å
470V94.8Very high93.9Very high24 Ų2446.3 Ų46.315%0.14523%0.226CC..EExtended strand (participates in β ladder)trans-107.2133.7177.6-174.50000109.8L101 P102 F463 K464 F465L101-V470 HydrophobicContact CD2-CG1 4.5Å; P102-V470 HydrophobicContact CG-CG1 4.01Å; P102-V470 WeakPolarHBondContact O-CG2 3.45Å; F463-V470 HydrophobicContact CB-CG1 4.27Å; F463-V470 HydrophobicContact CD1-CG1 4.46Å; K464-V470 VanDerWaalsContact O-CA 3.3Å; K464-V470 WeakPolarHBondContact O-CA 3.28Å; F465-V470 HydrophobicContact CD1-CG1 4.18Å; F465-V470 HydrophobicContact CD1-CG2 3.57Å; F465-V470 HydrophobicContact CE1-CG1 4.09Å; F465-V470 HydrophobicContact CE1-CG2 3.96Å; F465-V470 HydrophobicContact CG-CG2 4.35Å; F465-V470 HydrophobicContact CZ-CG1 4.4Å
471S94.8Very high94.2Very high50 Ų5046 Ų4635%0.3522%0.223SC..EExtended strand (participates in β ladder)trans-138.2148.1177.151.80000110.7F463 K464F463-S471 CarbonylContact C-O 3.57Å; F463-S471 VanDerWaalsContact CA-O 3.32Å; F463-S471 WeakPolarHBondContact CA-O 3.38Å; K464-S471 PolarHBondContact N-O 3.16Å; K464-S471 PolarHBondContact O-N 3.1Å
472Q93.8Very high94.1Very high86 Ų8645.6 Ų45.640%0.40222%0.221SC..EExtended strand (participates in β ladder)trans-79.7140.2172.3-175.5177.1-8.600109.7W462 F463W462-Q472 WeakPolarHBondContact O-CA 3.14Å; F463-Q472 HydrophobicContact CD1-CB 4.36Å; F463-Q472 HydrophobicContact CE1-CB 4.31Å; F463-Q472 HydrophobicContact CE1-CG 4.48Å
473V94.1Very high93.6Very high23 Ų2346.5 Ų46.514%0.13923%0.231CC..EExtended strand (participates in β ladder)trans-136.9170179.1-59.70000110.6W455 W462 K464 D477 I478W455-V473 HydrophobicContact CE3-CG2 3.86Å; W455-V473 HydrophobicContact CZ3-CB 4.37Å; W455-V473 HydrophobicContact CZ3-CG1 3.98Å; W455-V473 HydrophobicContact CZ3-CG2 4.01Å; W462-V473 HydrophobicContact CB-CG2 3.71Å; W462-V473 WeakPolarHBondContact CB-O 3.32Å; W462-V473 PolarHBondContact O-N 3.3Å; K464-V473 HydrophobicContact CB-CG1 3.94Å; V473-D477 HydrophobicContact CB-CB 4.22Å; V473-I478 HydrophobicContact CG2-CD1 4.06Å
474T93.7Very high92.7Very high55 Ų5548.8 Ų48.834%0.33726%0.256SS..  trans-96.2162-178.567.70000112.1E476 D477 I478T474-E476 PolarHBondContact O-N 2.79Å; T474-E476 PolarHBondContact OG1-N 3.43Å; T474-D477 PolarHBondContact N-OD2 2.9Å; T474-D477 WeakPolarHBondContact O-CB 3.45Å; T474-D477 PolarHBondContact O-N 2.85Å; T474-D477 VanDerWaalsContact O-N 3.11Å; T474-D477 VanDerWaalsContact OG1-CG 3.26Å; T474-D477 PolarHBondContact OG1-N 3.35Å; T474-D477 PolarHBondContact OG1-OD2 3.22Å; T474-I478 PolarHBondContact O-N 2.58Å
475S92.6Very high91.7Very high12 Ų1248.9 Ų48.98%0.08427%0.267CS..Hα-helixtrans-59.4-28171-63.70000112.8D404 W462 I478 L479D404-S475 PolarHBondContact OD1-OG 2.99Å; W462-S475 PolarHBondContact NE1-OG 2.9Å; S475-I478 PolarHBondContact O-N 3.14Å; S475-L479 PolarHBondContact O-N 3.22Å
476E91.9Very high90.7Very high129 Ų12952.2 Ų52.260%0.60329%0.285SS*.Hα-helixtrans-67.4-38.7174.5-65.3-177.1-174.500112.1T474 I478 L479 R480T474-E476 PolarHBondContact O-N 2.79Å; T474-E476 PolarHBondContact OG1-N 3.43Å; E476-I478 VanDerWaalsContact C-N 3.26Å; E476-I478 PolarHBondContact O-N 3.17Å; E476-L479 PolarHBondContact O-N 3.49Å; E476-R480 WeakPolarHBondContact O-CG 3.38Å; E476-R480 PolarHBondContact O-N 2.91Å; E476-R480 VanDerWaalsContact O-N 3.09Å
477D92.9Very high90.1Very high45 Ų4557.2 Ų57.224%0.24130%0.301CS..Hα-helixtrans-63.5-35.3176.6-61.5-50.6000111.5V473 T474 R480V473-D477 HydrophobicContact CB-CB 4.22Å; T474-D477 PolarHBondContact N-OD2 2.9Å; T474-D477 WeakPolarHBondContact O-CB 3.45Å; T474-D477 PolarHBondContact O-N 2.85Å; T474-D477 VanDerWaalsContact O-N 3.11Å; T474-D477 VanDerWaalsContact OG1-CG 3.26Å; T474-D477 PolarHBondContact OG1-N 3.35Å; T474-D477 PolarHBondContact OG1-OD2 3.22Å; D477-R480 WeakPolarHBondContact O-CB 3.44Å; D477-R480 PolarHBondContact O-N 3.37Å; D477-R480 IonicContact OD1-NH1 3.65Å; D477-R480 PolarHBondContact OD1-NH1 3.43Å
478I94.4Very high89.7Confident0 Ų056.8 Ų56.80%030%0.299CS..Hα-helixtrans-64.2-43.2174.4-54-54.4000111F357 L359 L436 V439 W455 W462 V473 T474 S475 E476 R480 L481F357-I478 HydrophobicContact CE2-CG2 4.28Å; F357-I478 WeakPolarHBondContact CZ-O 3.45Å; L359-I478 HydrophobicContact CD2-CG2 4.43Å; L436-I478 HydrophobicContact CD2-CG2 3.77Å; V439-I478 HydrophobicContact CG2-CG2 3.95Å; W455-I478 HydrophobicContact CB-CD1 3.81Å; W455-I478 HydrophobicContact CD2-CD1 4.22Å; W455-I478 HydrophobicContact CE3-CD1 3.78Å; W455-I478 HydrophobicContact CG-CD1 4.26Å; W462-I478 HydrophobicContact CB-CD1 4.31Å; W462-I478 HydrophobicContact CB-CG1 4.32Å; W462-I478 HydrophobicContact CD2-CD1 3.86Å; W462-I478 HydrophobicContact CD2-CG1 3.54Å; W462-I478 HydrophobicContact CE3-CD1 3.66Å; W462-I478 HydrophobicContact CE3-CG1 3.82Å; W462-I478 HydrophobicContact CG-CD1 4.17Å; W462-I478 HydrophobicContact CG-CG1 3.78Å; W462-I478 HydrophobicContact CH2-CG2 4.35Å; W462-I478 HydrophobicContact CZ2-CG1 4.35Å; W462-I478 HydrophobicContact CZ2-CG2 4.39Å; W462-I478 HydrophobicContact CZ3-CD1 4.25Å; W462-I478 HydrophobicContact CZ3-CG1 4.35Å; V473-I478 HydrophobicContact CG2-CD1 4.06Å; T474-I478 PolarHBondContact O-N 2.58Å; S475-I478 PolarHBondContact O-N 3.14Å; E476-I478 VanDerWaalsContact C-N 3.26Å; E476-I478 PolarHBondContact O-N 3.17Å; I478-R480 VanDerWaalsContact C-N 3.25Å; I478-R480 PolarHBondContact O-N 2.98Å; I478-L481 HydrophobicContact CD1-CD1 4.44Å; I478-L481 HydrophobicContact CG2-CD1 4.46Å; I478-L481 VanDerWaalsContact O-CB 3.25Å; I478-L481 WeakPolarHBondContact O-CB 3.47Å; I478-L481 VanDerWaalsContact O-CG 3.31Å; I478-L481 WeakPolarHBondContact O-CG 3.29Å; I478-L481 PolarHBondContact O-N 2.89Å; I478-L481 VanDerWaalsContact O-N 3.09Å
479L93.3Very high89.5Confident72 Ų7253.6 Ų53.638%0.37728%0.282SS..Hα-helixtrans-68-24.3178.7-68.2175.7000113.1F357 L359 S475 E476 L481 S482F357-L479 WeakPolarHBondContact O-CD2 3.33Å; L359-L479 HydrophobicContact CD2-CD2 4.05Å; L359-L479 HydrophobicContact CD2-CG 4.34Å; L359-L479 HydrophobicContact CG-CD2 4.08Å; L359-L479 HydrophobicContact CG-CG 4.42Å; S475-L479 PolarHBondContact O-N 3.22Å; E476-L479 PolarHBondContact O-N 3.49Å; L479-L481 PolarHBondContact O-N 3.01Å; L479-S482 PolarHBondContact O-N 3.24Å; L479-S482 PolarHBondContact O-OG 2.69Å
480R92.1Very high89.6Confident153 Ų15347.3 Ų47.358%0.57726%0.258SS*.G310 helixtrans-69.6-15.1172.6-69.6173.4-177170.4-1.7113.2E476 D477 I478 S482E476-R480 WeakPolarHBondContact O-CG 3.38Å; E476-R480 PolarHBondContact O-N 2.91Å; E476-R480 VanDerWaalsContact O-N 3.09Å; D477-R480 WeakPolarHBondContact O-CB 3.44Å; D477-R480 PolarHBondContact O-N 3.37Å; D477-R480 IonicContact OD1-NH1 3.65Å; D477-R480 PolarHBondContact OD1-NH1 3.43Å; I478-R480 VanDerWaalsContact C-N 3.25Å; I478-R480 PolarHBondContact O-N 2.98Å; R480-S482 PolarHBondContact O-N 2.77Å; R480-S482 VanDerWaalsContact O-N 3.11Å
481L92Very high89.5Confident0 Ų046.3 Ų46.30%025%0.252CS..G310 helixtrans-72.84.8175.9-53172.3000112.9F357 V439 W455 I478 L479 G483 H488 C489 A490F357-L481 HydrophobicContact CE1-CB 4.5Å; F357-L481 HydrophobicContact CZ-CB 4.13Å; V439-L481 HydrophobicContact CB-CD1 4.24Å; V439-L481 HydrophobicContact CG1-CD1 3.82Å; W455-L481 HydrophobicContact CD2-CD1 3.87Å; W455-L481 HydrophobicContact CG-CD1 3.85Å; W455-L481 HydrophobicContact CH2-CD2 4.33Å; W455-L481 HydrophobicContact CZ2-CD1 4.49Å; W455-L481 HydrophobicContact CZ2-CD2 3.76Å; I478-L481 HydrophobicContact CD1-CD1 4.44Å; I478-L481 HydrophobicContact CG2-CD1 4.46Å; I478-L481 VanDerWaalsContact O-CB 3.25Å; I478-L481 WeakPolarHBondContact O-CB 3.47Å; I478-L481 VanDerWaalsContact O-CG 3.31Å; I478-L481 WeakPolarHBondContact O-CG 3.29Å; I478-L481 PolarHBondContact O-N 2.89Å; I478-L481 VanDerWaalsContact O-N 3.09Å; L479-L481 PolarHBondContact O-N 3.01Å; L481-G483 PolarHBondContact O-N 2.86Å; L481-G483 VanDerWaalsContact O-N 3.14Å; L481-H488 HydrophobicContact CD2-CB 3.58Å; L481-C489 CarbonylContact O-C 3.49Å; L481-C489 WeakPolarHBondContact O-CA 3.03Å; L481-A490 HydrophobicContact CB-CB 4.32Å; L481-A490 WeakPolarHBondContact O-CB 3.22Å; L481-A490 PolarHBondContact O-N 3.24Å
482S89.4Confident89.6Confident3 Ų343.9 Ų43.92%0.02124%0.235CC..G310 helixtrans-62.8-19.5-18066.10000114R338 D354 V355 K356 L479 R480R338-S482 PolarHBondContact NH2-O 3Å; R338-S482 VanDerWaalsContact NH2-O 3.12Å; D354-S482 WeakPolarHBondContact CA-O 3.4Å; D354-S482 WeakPolarHBondContact OD1-CB 3.41Å; D354-S482 PolarHBondContact OD1-OG 3.21Å; V355-S482 PolarHBondContact N-O 2.66Å; V355-S482 WeakPolarHBondContact O-CB 3.45Å; K356-S482 PolarHBondContact NZ-OG 3.12Å; L479-S482 PolarHBondContact O-N 3.24Å; L479-S482 PolarHBondContact O-OG 2.69Å; R480-S482 PolarHBondContact O-N 2.77Å; R480-S482 VanDerWaalsContact O-N 3.11Å
483G84.8Confident89.8Confident20 Ų2039.8 Ų39.821%0.20622%0.216CC..  trans106-154.6175.400000112.6L481L481-G483 PolarHBondContact O-N 2.86Å; L481-G483 VanDerWaalsContact O-N 3.14Å
484G77.6Confident90Very high55 Ų5538.7 Ų38.757%0.56721%0.209SC*.SBendtrans96.8-0.5-179.100000115.7L352L352-G484 WeakPolarHBondContact O-CA 3.43Å; L352-G484 PolarHBondContact O-N 2.88Å
485G77.4Confident90.2Very high34 Ų3436.1 Ų36.135%0.35119%0.193SC..SBendtrans-157.8-166.4178.700000113.4W487G485-W487 PolarHBondContact O-N 3.5Å
486D75.3Confident90.4Very high84 Ų8435.6 Ų35.645%0.44919%0.19SC..SBendtrans-80.2-4.9177.5-69.4-43.8000113.4R445R445-D486 IonicContact CZ-OD1 2.81Å; R445-D486 IonicContact CZ-OD2 3.62Å; R445-D486 IonicContact NE-OD1 2.63Å; R445-D486 PolarHBondContact NE-OD1 3.26Å; R445-D486 IonicContact NE-OD2 3.32Å; R445-D486 VanDerWaalsContact NH2-CG 3.3Å; R445-D486 IonicContact NH2-OD1 3.15Å; R445-D486 PolarHBondContact NH2-OD1 2.87Å; R445-D486 VanDerWaalsContact NH2-OD1 3.15Å; R445-D486 IonicContact NH2-OD2 2.72Å; R445-D486 PolarHBondContact NH2-OD2 3.39Å
487W83.1Confident90.4Very high144 Ų14429.7 Ų29.755%0.54516%0.163SC..SBendtrans-67.1171.9172.5-168.1-110000112.1G485 C489G485-W487 PolarHBondContact O-N 3.5Å; W487-C489 PolarHBondContact O-N 3.07Å
488H87.5Confident90.4Very high3 Ų329.4 Ų29.41%0.01416%0.16CC..  trans-51.7129.7173-70.5-86000111.4S441 Q443 V453 L481S441-H488 PolarHBondContact OG-ND1 3.17Å; S441-H488 VanDerWaalsContact OG-ND1 3.13Å; Q443-H488 PolarHBondContact OE1-NE2 2.73Å; V453-H488 VanDerWaalsContact CG2-CE1 3.41Å; V453-H488 WeakPolarHBondContact CG2-CE1 3.32Å; L481-H488 HydrophobicContact CD2-CB 3.58Å
489C91.1Very high90.1Very high1 Ų132 Ų321%0.00717%0.171CC..EExtended strand (participates in β ladder)trans-117141168.469.80000110.5R338 K350 S441 H442 L481 W487 Y491R338-C489 VanDerWaalsContact CD-SG 3.53Å; K350-C489 WeakPolarHBondContact CE-SG 3.47Å; K350-C489 PolarHBondContact NZ-SG 3.44Å; S441-C489 CarbonylContact C-O 3.58Å; S441-C489 WeakPolarHBondContact CA-O 3.38Å; S441-C489 WeakPolarHBondContact CB-O 3.25Å; H442-C489 PolarHBondContact N-O 3.04Å; H442-C489 PolarHBondContact O-N 3.44Å; H442-C489 VanDerWaalsContact O-N 3.11Å; H442-C489 PolarHBondContact O-SG 2.9Å; H442-C489 VanDerWaalsContact O-SG 3.35Å; L481-C489 CarbonylContact O-C 3.49Å; L481-C489 WeakPolarHBondContact O-CA 3.03Å; W487-C489 PolarHBondContact O-N 3.07Å; C489-Y491 PolarHBondContact O-N 2.97Å
490A94Very high89.8Confident0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-58.8131.6174.300000109.9F336 R338 F357 V439 L481 L493F336-A490 HydrophobicContact CD2-CB 4.18Å; F336-A490 WeakPolarHBondContact CD2-O 3.41Å; F336-A490 HydrophobicContact CE2-CB 3.86Å; R338-A490 PolarHBondContact NE-O 3.42Å; F357-A490 HydrophobicContact CD1-CB 4.25Å; F357-A490 HydrophobicContact CE1-CB 3.48Å; F357-A490 VanDerWaalsContact CE1-CB 3.48Å; F357-A490 HydrophobicContact CZ-CB 3.94Å; V439-A490 HydrophobicContact CG1-CB 3.82Å; L481-A490 HydrophobicContact CB-CB 4.32Å; L481-A490 WeakPolarHBondContact O-CB 3.22Å; L481-A490 PolarHBondContact O-N 3.24Å; A490-L493 HydrophobicContact CB-CD2 3.93Å
491Y93.8Very high89.4Confident3 Ų327.6 Ų27.61%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-119.1-46.6-176.7-173.5-129.5000111.2D211 A212 S213 H335 F336 F339 L440 Y452 C489D211-Y491 VanDerWaalsContact CG-OH 3.25Å; D211-Y491 WeakPolarHBondContact OD1-CE1 3.41Å; D211-Y491 PolarHBondContact OD1-OH 3.21Å; D211-Y491 PolarHBondContact OD2-OH 3.26Å; A212-Y491 HydrophobicContact CB-CD1 4.34Å; A212-Y491 HydrophobicContact CB-CE1 4.26Å; S213-Y491 PolarHBondContact OG-OH 3.14Å; H335-Y491 AromaticContact CD2-CE2 3.86Å; H335-Y491 AromaticContact CD2-CZ 3.99Å; H335-Y491 AromaticContact NE2-CE2 3.31Å; H335-Y491 VanDerWaalsContact NE2-CE2 3.31Å; H335-Y491 WeakPolarHBondContact NE2-CE2 3.47Å; H335-Y491 AromaticContact NE2-CZ 3.27Å; H335-Y491 VanDerWaalsContact NE2-CZ 3.27Å; H335-Y491 PolarHBondContact NE2-OH 2.91Å; H335-Y491 VanDerWaalsContact NE2-OH 3.16Å; F336-Y491 PolarHBondContact N-O 3.3Å; F336-Y491 WeakPolarHBondContact O-CD2 3.17Å; F336-Y491 WeakPolarHBondContact O-CE2 3.37Å; F339-Y491 AromaticContact CD2-CE2 3.58Å; F339-Y491 HydrophobicContact CD2-CE2 3.58Å; F339-Y491 AromaticContact CD2-CZ 3.69Å; F339-Y491 WeakPolarHBondContact CD2-OH 3.45Å; F339-Y491 HydrophobicContact CE2-CD2 4.11Å; F339-Y491 HydrophobicContact CE2-CE1 4.23Å; F339-Y491 AromaticContact CE2-CE2 3.49Å; F339-Y491 HydrophobicContact CE2-CE2 3.49Å; F339-Y491 VanDerWaalsContact CE2-CE2 3.49Å; F339-Y491 AromaticContact CE2-CZ 3.55Å; L440-Y491 HydrophobicContact CD2-CD1 3.91Å; L440-Y491 WeakPolarHBondContact O-CA 3.39Å; L440-Y491 WeakPolarHBondContact O-CB 3.4Å; L440-Y491 PolarHBondContact O-N 2.82Å; Y452-Y491 AromaticContact CE1-CD1 3.8Å; Y452-Y491 HydrophobicContact CE1-CD1 3.8Å; Y452-Y491 HydrophobicContact CE1-CE1 4.08Å; C489-Y491 PolarHBondContact O-N 2.97Å
492I97.1Very high89.1Confident0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-125.9133169.6-53.9175.7000108.2W216 C333 I334 V439 L440W216-I492 HydrophobicContact CB-CD1 3.99Å; W216-I492 HydrophobicContact CG-CD1 4.16Å; C333-I492 WeakPolarHBondContact SG-CG2 3.48Å; I334-I492 CarbonylContact O-C 3.47Å; I334-I492 WeakPolarHBondContact O-CA 3.13Å; V439-I492 CarbonylContact C-O 3.58Å; V439-I492 WeakPolarHBondContact CA-O 3.26Å; L440-I492 HydrophobicContact CB-CB 3.98Å; L440-I492 HydrophobicContact CD1-CD1 4.34Å; L440-I492 PolarHBondContact N-O 3.49Å; L440-I492 PolarHBondContact O-N 2.79Å
493L98Very high88.3Confident0 Ų036.6 Ų36.60%019%0.194CC..EExtended strand (participates in β ladder)trans-107134170.6-56.5179.1000108.9L294 C333 I334 F336 F357 L436 V439 A490 Y495L294-L493 HydrophobicContact CD1-CD1 4.38Å; L294-L493 HydrophobicContact CD2-CD1 3.8Å; C333-L493 CarbonylContact C-O 3.44Å; C333-L493 WeakPolarHBondContact CA-O 3.42Å; I334-L493 HydrophobicContact CB-CB 4.36Å; I334-L493 PolarHBondContact N-O 3.35Å; I334-L493 PolarHBondContact O-N 3.1Å; F336-L493 HydrophobicContact CD2-CG 4.34Å; F336-L493 HydrophobicContact CE2-CD1 3.49Å; F336-L493 VanDerWaalsContact CE2-CD1 3.49Å; F336-L493 HydrophobicContact CE2-CD2 4.09Å; F336-L493 HydrophobicContact CE2-CG 3.59Å; F336-L493 HydrophobicContact CZ-CD1 3.81Å; F336-L493 HydrophobicContact CZ-CG 4.41Å; F357-L493 HydrophobicContact CB-CD1 3.69Å; F357-L493 HydrophobicContact CD1-CD1 4.26Å; F357-L493 HydrophobicContact CD1-CD2 4.45Å; F357-L493 HydrophobicContact CD2-CD1 4.02Å; F357-L493 HydrophobicContact CD2-CD2 4.07Å; F357-L493 HydrophobicContact CE1-CD2 4.41Å; F357-L493 HydrophobicContact CE2-CD2 4.04Å; F357-L493 HydrophobicContact CG-CD1 3.73Å; F357-L493 HydrophobicContact CG-CD2 4.29Å; F357-L493 HydrophobicContact CZ-CD2 4.21Å; L436-L493 HydrophobicContact CD1-CB 3.98Å; L436-L493 HydrophobicContact CD1-CD2 4.08Å; L436-L493 HydrophobicContact CD1-CG 4.46Å; V439-L493 HydrophobicContact CB-CD2 4.28Å; V439-L493 HydrophobicContact CG1-CD2 3.88Å; V439-L493 HydrophobicContact CG2-CD2 3.74Å; A490-L493 HydrophobicContact CB-CD2 3.93Å; L493-Y495 HydrophobicContact CB-CD2 4.07Å; L493-Y495 HydrophobicContact CB-CE2 3.77Å; L493-Y495 HydrophobicContact CD1-CE2 3.72Å; L493-Y495 HydrophobicContact CG-CE2 4.39Å
494L98.1Very high87.1Confident0 Ų039.7 Ų39.70%022%0.218CC..EExtended strand (participates in β ladder)trans-113.3109.9171-177.466000108.2L120 I124 W216 L256 Q437 G438L120-L494 HydrophobicContact CD2-CB 4.22Å; I124-L494 HydrophobicContact CD1-CD1 4.32Å; I124-L494 HydrophobicContact CD1-CD2 4.03Å; I124-L494 HydrophobicContact CG1-CD2 3.92Å; W216-L494 HydrophobicContact CH2-CD1 4.41Å; L256-L494 HydrophobicContact CD2-CD1 4.49Å; Q437-L494 HydrophobicContact CG-CD2 4.26Å; Q437-L494 HydrophobicContact CG-CG 4.04Å; Q437-L494 VanDerWaalsContact CG-O 3.25Å; Q437-L494 WeakPolarHBondContact CG-O 3.48Å; Q437-L494 PolarHBondContact N-O 2.8Å; Q437-L494 VanDerWaalsContact NE2-CD2 3.32Å; G438-L494 PolarHBondContact N-O 3.43Å; G438-L494 PolarHBondContact O-N 2.85Å
495Y98Very high85.4Confident0 Ų042.6 Ų42.60%023%0.228CC..EExtended strand (participates in β ladder)trans-97133.2174.8-81.8-80.7000109.3L294 Y331 L332 I334 P358 L361 E435 L436 L493L294-Y495 HydrophobicContact CD2-CE2 4.02Å; Y331-Y495 CarbonylContact C-O 3.51Å; Y331-Y495 VanDerWaalsContact CA-O 3.26Å; Y331-Y495 WeakPolarHBondContact CA-O 3.46Å; L332-Y495 PolarHBondContact N-O 3.19Å; L332-Y495 WeakPolarHBondContact O-CB 3.43Å; L332-Y495 PolarHBondContact O-N 3.24Å; I334-Y495 HydrophobicContact CD1-CD2 3.77Å; I334-Y495 HydrophobicContact CD1-CE2 3.8Å; I334-Y495 HydrophobicContact CG1-CD2 4.48Å; P358-Y495 WeakPolarHBondContact O-CE1 3.47Å; P358-Y495 PolarHBondContact O-OH 3.17Å; L361-Y495 HydrophobicContact CB-CD1 3.87Å; L361-Y495 HydrophobicContact CB-CE1 3.55Å; L361-Y495 HydrophobicContact CD2-CD1 4.43Å; L361-Y495 HydrophobicContact CD2-CD2 4Å; L361-Y495 HydrophobicContact CD2-CE1 4.35Å; L361-Y495 HydrophobicContact CD2-CE2 3.89Å; L361-Y495 HydrophobicContact CD2-CG 4.27Å; E435-Y495 CarbonylContact O-C 3.54Å; E435-Y495 WeakPolarHBondContact O-CA 3.25Å; L436-Y495 HydrophobicContact CB-CD1 4.04Å; L436-Y495 HydrophobicContact CB-CE1 3.67Å; L436-Y495 HydrophobicContact CD1-CD1 4.15Å; L436-Y495 HydrophobicContact CD1-CD2 4.1Å; L436-Y495 HydrophobicContact CD1-CE1 3.84Å; L436-Y495 HydrophobicContact CD1-CE2 3.81Å; L436-Y495 HydrophobicContact CD1-CG 4.27Å; L436-Y495 HydrophobicContact CG-CE1 4.33Å; L493-Y495 HydrophobicContact CB-CD2 4.07Å; L493-Y495 HydrophobicContact CB-CE2 3.77Å; L493-Y495 HydrophobicContact CD1-CE2 3.72Å; L493-Y495 HydrophobicContact CG-CE2 4.39Å
496G95.8Very high83.5Confident2 Ų248 Ų482%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-107.9173.6174.100000111.9Y434 E435Y434-G496 CarbonylContact C-O 3.49Å; Y434-G496 WeakPolarHBondContact CA-O 3.42Å; Y434-G496 WeakPolarHBondContact CB-O 3.27Å; Y434-G496 WeakPolarHBondContact CD1-O 3.35Å; E435-G496 PolarHBondContact N-O 3.09Å; E435-G496 PolarHBondContact O-N 3.12Å
497P93.3Very high81.5Confident4 Ų450 Ų503%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-66.6140.3-18027-30.7000110.6A330 N420 F499A330-P497 VanDerWaalsContact O-CD 3.28Å; A330-P497 WeakPolarHBondContact O-CD 3.2Å; N420-P497 HydrophobicContact CB-CB 4.01Å; N420-P497 WeakPolarHBondContact ND2-CB 3.29Å; N420-P497 WeakPolarHBondContact ND2-CG 3.15Å; P497-F499 HydrophobicContact CG-CE1 4.39Å; P497-F499 HydrophobicContact CG-CE2 3.81Å; P497-F499 HydrophobicContact CG-CZ 3.67Å; P497-F499 WeakPolarHBondContact O-CD2 3.44Å; P497-F499 WeakPolarHBondContact O-CE2 3.43Å
498H91.4Very high79.6Confident39 Ų3949.2 Ų49.218%0.18127%0.273CS..PPolyproline II helixtrans-78.5124.9172.6-17470.5000110.6Q382 Y433 E435Q382-H498 PolarHBondContact NE2-CD2 2.76Å; Q382-H498 PolarHBondContact OE1-CD2 2.6Å; Q382-H498 VanDerWaalsContact OE1-CD2 3.26Å; Y433-H498 PolarHBondContact O-N 2.99Å; E435-H498 IonicContact OE2-ND1 3.69Å; E435-H498 PolarHBondContact OE2-ND1 3.01Å
499F89.5Confident77.4Confident56 Ų5654 Ų5425%0.24631%0.307CS..PPolyproline II helixtrans-99.3123.2-174.2-68-85.1000112.4P410 Y417 N420 P497P410-F499 HydrophobicContact CB-CB 4.34Å; P410-F499 HydrophobicContact CB-CD1 3.55Å; P410-F499 HydrophobicContact CB-CD2 3.8Å; P410-F499 HydrophobicContact CB-CE1 3.58Å; P410-F499 HydrophobicContact CB-CE2 3.83Å; P410-F499 HydrophobicContact CB-CG 3.64Å; P410-F499 HydrophobicContact CB-CZ 3.72Å; P410-F499 HydrophobicContact CG-CB 4.22Å; P410-F499 HydrophobicContact CG-CD1 4.22Å; P410-F499 HydrophobicContact CG-CD2 3.63Å; P410-F499 HydrophobicContact CG-CE1 4.48Å; P410-F499 HydrophobicContact CG-CE2 3.92Å; P410-F499 HydrophobicContact CG-CG 3.78Å; P410-F499 HydrophobicContact CG-CZ 4.33Å; Y417-F499 HydrophobicContact CD1-CB 3.57Å; Y417-F499 HydrophobicContact CD1-CG 4.47Å; Y417-F499 HydrophobicContact CE1-CB 3.9Å; Y417-F499 HydrophobicContact CG-CB 4.26Å; N420-F499 HydrophobicContact CB-CE1 4.43Å; N420-F499 WeakPolarHBondContact ND2-CE1 3.33Å; P497-F499 HydrophobicContact CG-CE1 4.39Å; P497-F499 HydrophobicContact CG-CE2 3.81Å; P497-F499 HydrophobicContact CG-CZ 3.67Å; P497-F499 WeakPolarHBondContact O-CD2 3.44Å; P497-F499 WeakPolarHBondContact O-CE2 3.43Å
500I85.9Confident74.7Confident9 Ų957 Ų575%0.04634%0.338CS..  trans-97.3110177.2-54.4172.7000108.6M378 Q382 K385 Y417 E418 K502M378-I500 HydrophobicContact CE-CD1 3.96Å; Q382-I500 HydrophobicContact CB-CD1 3.67Å; Q382-I500 HydrophobicContact CB-CG1 4.38Å; Q382-I500 HydrophobicContact CG-CD1 4.22Å; Q382-I500 HydrophobicContact CG-CG1 4.41Å; K385-I500 HydrophobicContact CD-CG2 3.54Å; Y417-I500 CarbonylContact C-O 3.53Å; Y417-I500 WeakPolarHBondContact CA-O 3.34Å; E418-I500 HydrophobicContact CB-CB 4.23Å; E418-I500 HydrophobicContact CG-CB 4.16Å; E418-I500 HydrophobicContact CG-CG2 4.17Å; E418-I500 PolarHBondContact N-O 3.38Å; I500-K502 PolarHBondContact O-N 3.21Å
501R85.2Confident72.1Confident123 Ų12362.4 Ų62.446%0.46438%0.376SS..BIsolated β-bridgetrans-60135.9173.3-162.9-177.6-179.4169.50.7111.3K385 L416 Y417K385-R501 VanDerWaalsContact CE-O 3.29Å; K385-R501 WeakPolarHBondContact CE-O 3.27Å; K385-R501 VanDerWaalsContact NZ-CA 3.31Å; K385-R501 PolarHBondContact NZ-O 2.89Å; L416-R501 CarbonylContact O-C 3.51Å; L416-R501 VanDerWaalsContact O-CA 3.27Å; L416-R501 WeakPolarHBondContact O-CA 3.39Å; L416-R501 VanDerWaalsContact O-CG 3.22Å; L416-R501 WeakPolarHBondContact O-CG 3.28Å; Y417-R501 HydrophobicContact CD1-CB 4.15Å; Y417-R501 HydrophobicContact CE1-CB 4.09Å; Y417-R501 HydrophobicContact CE1-CG 4.47Å
502K84.3Confident69.1Low80 Ų8068.5 Ų68.535%0.34841%0.414SS..PPolyproline II helixtrans-67.6148.4170.8-57.6-164.9-179.9114.10109.8D415 L416 Y417 E418 I500 A504D415-K502 PolarHBondContact O-NZ 2.77Å; L416-K502 PolarHBondContact O-N 3.36Å; Y417-K502 WeakPolarHBondContact O-CE 3.48Å; Y417-K502 PolarHBondContact O-NZ 2.81Å; E418-K502 HydrophobicContact CG-CG 4.2Å; I500-K502 PolarHBondContact O-N 3.21Å; K502-A504 PolarHBondContact O-N 3.08Å
503N73.6Confident66.3Low111 Ų11178.7 Ų78.759%0.59448%0.475SS*.PPolyproline II helixtrans-65.4132.9166.3-70.1-12.8000107.2C505N503-C505 PolarHBondContact O-N 3.49Å
504A58.2Low64.8Low85 Ų8582.6 Ų82.670%0.70250%0.499SS*.PPolyproline II helixtrans-57117.5168.500000106.1K502 N506K502-A504 PolarHBondContact O-N 3.08Å; A504-N506 PolarHBondContact O-N 2.9Å
505C42.2Very low63Low117 Ų11786.9 Ų86.979%0.79153%0.525SS*.  trans-57.6101.4161.8-99.10000105N503 D507N503-C505 PolarHBondContact O-N 3.49Å; C505-D507 PolarHBondContact O-N 3.08Å
506N38.2Very low61Low147 Ų14791.8 Ų91.879%0.78656%0.555SS**  trans-62.394.8154.8-75.5-20.6000103.6A504 P508A504-N506 PolarHBondContact O-N 2.9Å; N506-P508 WeakPolarHBondContact O-CD 3.43Å
507D33Very low59Low127 Ų12797.1 Ų97.168%0.67959%0.586SS**  trans-49.6115167-85.1-32000106.6C505 S509C505-D507 PolarHBondContact O-N 3.08Å; D507-S509 PolarHBondContact O-N 3.28Å
508P42.7Very low56.9Low127 Ų127102.9 Ų102.983%0.82562%0.621SS**  trans-80.457170.834.1-28.1000107.3N506N506-P508 WeakPolarHBondContact O-CD 3.43Å
509S41.8Very low54.6Low102 Ų102107.1 Ų107.171%0.71365%0.65SS**  trans-111.243.6168.560.20000109.3D507D507-S509 PolarHBondContact O-N 3.28Å
510G35.2Very low52.1Low65 Ų65110.8 Ų110.867%0.6768%0.679SS**  trans-12530.8172.300000111.8T512G510-T512 VanDerWaalsContact C-N 3.3Å; G510-T512 PolarHBondContact O-N 3.02Å
511S37.9Very low49.5Very low113 Ų113118.6 Ų118.679%0.7973%0.728SS**  trans-84.680.5166.2640000109.1V513S511-V513 PolarHBondContact O-N 3.17Å
512T31.8Very low46.5Very low131 Ų131118.3 Ų118.380%0.80475%0.75SS**  trans-64111.2153.4380000109.1G510G510-T512 VanDerWaalsContact C-N 3.3Å; G510-T512 PolarHBondContact O-N 3.02Å
513V39.1Very low43Very low214 Ų214121.7 Ų121.7100%1.29779%0.786SS**  trans-1480131-177.90000107.6S511S511-V513 PolarHBondContact O-N 3.17Å

Retrieved 513 of 513 residues in 947.2 ms (Link to these results)

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