A0A3Q0KJW6_SCHMA Loading...

U3 small nucleolar ribonucleoprotein protein IMP3

AlphaFold DB , UniProt , Accession A0A3Q0KJW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 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
1M61.8Low88.3Confident237 Ų237130.3 Ų130.3100%1.16758%0.581SS**  01300-151.6178.5-80.100107.1
2V80Confident88.7Confident97 Ų97131.6 Ų131.659%0.58860%0.596SS**PPolyproline II helixtrans-70.1144.8-174.9177.90000110.2F18V2-F18 HydrophobicContact CB-CD2 4.35Å; V2-F18 HydrophobicContact CB-CE2 4.43Å; V2-F18 HydrophobicContact CG1-CE2 4.3Å; V2-F18 HydrophobicContact CG2-CD2 3.7Å; V2-F18 HydrophobicContact CG2-CE2 3.79Å
3R88.9Confident88.8Confident146 Ų146127.7 Ų127.755%0.55158%0.583SS**PPolyproline II helixtrans-57.6151.3177.369.7174.2179.587-3.5111.3L5 E9R3-L5 PolarHBondContact O-N 2.88Å; R3-E9 IonicContact CZ-OE1 3.48Å; R3-E9 IonicContact CZ-OE2 3.49Å; R3-E9 IonicContact NH1-OE1 3.37Å; R3-E9 PolarHBondContact NH1-OE1 3.45Å; R3-E9 IonicContact NH1-OE2 2.74Å; R3-E9 PolarHBondContact NH1-OE2 3.44Å; R3-E9 IonicContact NH2-OE1 2.68Å; R3-E9 PolarHBondContact NH2-OE1 3.1Å; R3-E9 IonicContact NH2-OE2 3.38Å; R3-E9 PolarHBondContact NH2-OE2 3.09Å
4K90.5Very high88.8Confident191 Ų191130.1 Ų130.183%0.8359%0.591SS**PPolyproline II helixtrans-63.5122.5172.7-168.7174-178.1177.70109.7
5L90.2Very high88.7Confident50 Ų50135.3 Ų135.326%0.26261%0.612SS.*PPolyproline II helixtrans-66.7138177.6-65.7176.6000110.7R3 E9 R10 L13R3-L5 PolarHBondContact O-N 2.88Å; L5-E9 WeakPolarHBondContact CA-OE2 3.41Å; L5-E9 HydrophobicContact CB-CB 4.07Å; L5-E9 HydrophobicContact CD2-CB 4.1Å; L5-R10 HydrophobicContact CB-CB 4.32Å; L5-L13 HydrophobicContact CD1-CB 4.21Å; L5-L13 HydrophobicContact CD1-CD1 4.18Å; L5-L13 HydrophobicContact CD2-CD1 4.34Å
6K93Very high88.6Confident133 Ų133131.1 Ų131.158%0.57860%0.6SS**PPolyproline II helixtrans-66.8164.3171.3-64.4-179.3-179.11780110H8 E9 R10K6-H8 PolarHBondContact O-N 3.18Å; K6-E9 HydrophobicContact CB-CG 4.15Å; K6-E9 PolarHBondContact N-OE2 3.49Å; K6-E9 PolarHBondContact O-N 3.29Å; K6-E9 VanDerWaalsContact O-N 3.14Å; K6-R10 PolarHBondContact O-N 3.45Å
7Y94Very high88.3Confident163 Ų163127.8 Ų127.864%0.63959%0.588SS**Hα-helixtrans-54.2-47-176.2177.3-105.6000113.4K11Y7-K11 PolarHBondContact O-N 3.34Å; Y7-K11 VanDerWaalsContact O-N 3.1Å
8H95.6Very high88.1Confident109 Ų109128.6 Ų128.651%0.50559%0.59SS.*Hα-helixtrans-66.8-3917956.3-89.8000112.3K6 K11 L12K6-H8 PolarHBondContact O-N 3.18Å; H8-K11 WeakPolarHBondContact O-CB 3.28Å; H8-K11 PolarHBondContact O-N 2.97Å; H8-L12 PolarHBondContact O-N 2.97Å
9E93Very high87.8Confident34 Ų34128.2 Ų128.216%0.15959%0.591CS.*Hα-helixtrans-65.5-44.2178.4-57.3173.9148.900111.3R3 L5 K6 K11 L12 L13R3-E9 IonicContact CZ-OE1 3.48Å; R3-E9 IonicContact CZ-OE2 3.49Å; R3-E9 IonicContact NH1-OE1 3.37Å; R3-E9 PolarHBondContact NH1-OE1 3.45Å; R3-E9 IonicContact NH1-OE2 2.74Å; R3-E9 PolarHBondContact NH1-OE2 3.44Å; R3-E9 IonicContact NH2-OE1 2.68Å; R3-E9 PolarHBondContact NH2-OE1 3.1Å; R3-E9 IonicContact NH2-OE2 3.38Å; R3-E9 PolarHBondContact NH2-OE2 3.09Å; L5-E9 WeakPolarHBondContact CA-OE2 3.41Å; L5-E9 HydrophobicContact CB-CB 4.07Å; L5-E9 HydrophobicContact CD2-CB 4.1Å; K6-E9 HydrophobicContact CB-CG 4.15Å; K6-E9 PolarHBondContact N-OE2 3.49Å; K6-E9 PolarHBondContact O-N 3.29Å; K6-E9 VanDerWaalsContact O-N 3.14Å; E9-K11 VanDerWaalsContact C-N 3.25Å; E9-K11 PolarHBondContact O-N 3Å; E9-L12 PolarHBondContact O-N 3.28Å; E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 PolarHBondContact O-N 3.39Å
10R91.6Very high87.6Confident140 Ų140125.5 Ų125.553%0.52858%0.582SS.*Hα-helixtrans-63.8-32175.3-172.2176.665.9-158.51.3112.1L5 K6 L12 K14L5-R10 HydrophobicContact CB-CB 4.32Å; K6-R10 PolarHBondContact O-N 3.45Å; R10-L12 VanDerWaalsContact C-N 3.32Å; R10-K14 WeakPolarHBondContact O-CG 3.42Å; R10-K14 PolarHBondContact O-N 3.47Å
11K92.5Very high87.4Confident133 Ų133126.5 Ų126.558%0.57858%0.581SS**Hα-helixtrans-68.3-32176.5-165.3177.7-179.9-177.50112Y7 H8 E9 K14Y7-K11 PolarHBondContact O-N 3.34Å; Y7-K11 VanDerWaalsContact O-N 3.1Å; H8-K11 WeakPolarHBondContact O-CB 3.28Å; H8-K11 PolarHBondContact O-N 2.97Å; E9-K11 VanDerWaalsContact C-N 3.25Å; E9-K11 PolarHBondContact O-N 3Å; K11-K14 VanDerWaalsContact O-CE 3.31Å; K11-K14 WeakPolarHBondContact O-CE 3.42Å; K11-K14 WeakPolarHBondContact O-CG 3.28Å
12L93.1Very high88.2Confident146 Ų146125 Ų12576%0.76457%0.571SS**Hα-helixtrans-81.9-45.4175.1-65.8172000111.8H8 E9 R10 K14H8-L12 PolarHBondContact O-N 2.97Å; E9-L12 PolarHBondContact O-N 3.28Å; R10-L12 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.01Å
13L90.9Very high88.2Confident81 Ų81126.2 Ų126.242%0.42458%0.582SS.*  trans-96.448.7-174.6-57.4178000112.1L5 E9 K15 V16L5-L13 HydrophobicContact CD1-CB 4.21Å; L5-L13 HydrophobicContact CD1-CD1 4.18Å; L5-L13 HydrophobicContact CD2-CD1 4.34Å; E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 PolarHBondContact O-N 3.39Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.4Å; L13-V16 HydrophobicContact CB-CB 4.07Å; L13-V16 HydrophobicContact CB-CG2 3.87Å; L13-V16 HydrophobicContact CD2-CG2 4.04Å; L13-V16 HydrophobicContact CG-CG2 4.44Å; L13-V16 PolarHBondContact O-N 3.49Å
14K88.5Confident87.5Confident161 Ų161123.1 Ų123.170%0.758%0.576SS**THydrogen-bonded Turntrans-64.2-33.1-175.6-70.8179.4-178.9-179.40114.2R10 K11 L12R10-K14 WeakPolarHBondContact O-CG 3.42Å; R10-K14 PolarHBondContact O-N 3.47Å; K11-K14 VanDerWaalsContact O-CE 3.31Å; K11-K14 WeakPolarHBondContact O-CE 3.42Å; K11-K14 WeakPolarHBondContact O-CG 3.28Å; L12-K14 PolarHBondContact O-N 3.01Å
15K87.4Confident87Confident209 Ų209119.5 Ų119.591%0.90957%0.566SS**THydrogen-bonded Turntrans-92.71.4-177.7-63.9-174.1176.1-172.90113.3L13 D17L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.4Å; K15-D17 PolarHBondContact O-N 2.68Å
16V86Confident86.7Confident68 Ų68119.9 Ų119.941%0.41257%0.568SS.*  trans-90.1104.3-177.1-179.80000109.1L13 F18L13-V16 HydrophobicContact CB-CB 4.07Å; L13-V16 HydrophobicContact CB-CG2 3.87Å; L13-V16 HydrophobicContact CD2-CG2 4.04Å; L13-V16 HydrophobicContact CG-CG2 4.44Å; L13-V16 PolarHBondContact O-N 3.49Å; V16-F18 HydrophobicContact CG1-CD2 4.45Å; V16-F18 HydrophobicContact CG1-CE1 4.44Å; V16-F18 HydrophobicContact CG1-CE2 3.91Å; V16-F18 HydrophobicContact CG1-CZ 3.91Å
17D84.1Confident86.4Confident74 Ų74117.9 Ų117.940%0.39656%0.564SS.*  trans-129.7121.9165.1-169.9-25.2000107.6K15 I19 N20 W21K15-D17 PolarHBondContact O-N 2.68Å; D17-I19 VanDerWaalsContact C-N 3.32Å; D17-I19 PolarHBondContact OD1-N 2.92Å; D17-N20 PolarHBondContact OD1-N 2.71Å; D17-N20 VanDerWaalsContact OD1-N 3.07Å; D17-N20 WeakPolarHBondContact OD2-CB 3.16Å; D17-W21 PolarHBondContact O-NE1 3.02Å
18F84.3Confident86.1Confident143 Ų143114.1 Ų114.163%0.62755%0.552SS**SBendtrans-83.3-10.6-179.9-66.8-69.2000113.1V2 V16V2-F18 HydrophobicContact CB-CD2 4.35Å; V2-F18 HydrophobicContact CB-CE2 4.43Å; V2-F18 HydrophobicContact CG1-CE2 4.3Å; V2-F18 HydrophobicContact CG2-CD2 3.7Å; V2-F18 HydrophobicContact CG2-CE2 3.79Å; V16-F18 HydrophobicContact CG1-CD2 4.45Å; V16-F18 HydrophobicContact CG1-CE1 4.44Å; V16-F18 HydrophobicContact CG1-CE2 3.91Å; V16-F18 HydrophobicContact CG1-CZ 3.91Å
19I83.6Confident85.8Confident120 Ų120110.1 Ų110.162%0.61553%0.533SS*.SBendtrans-107.5-47.7-173.9-60.4171000110.2D17 L27D17-I19 VanDerWaalsContact C-N 3.32Å; D17-I19 PolarHBondContact OD1-N 2.92Å; I19-L27 HydrophobicContact CG2-CD2 4.42Å
20N82.5Confident85.7Confident75 Ų75110.5 Ų110.540%0.40154%0.538SS..  trans-110.599.3-174.7-170.338.6000110.8D17 L27D17-N20 PolarHBondContact OD1-N 2.71Å; D17-N20 VanDerWaalsContact OD1-N 3.07Å; D17-N20 WeakPolarHBondContact OD2-CB 3.16Å; N20-L27 HydrophobicContact CB-CD1 3.86Å
21W83.4Confident85.8Confident147 Ų147110.9 Ų110.956%0.55754%0.543SS*.  trans-93.2141.7174.9-66.65.8000109.7D17 C23 D24D17-W21 PolarHBondContact O-NE1 3.02Å; W21-C23 PolarHBondContact O-N 3Å; W21-D24 HydrophobicContact CB-CB 4.23Å; W21-D24 CarbonylContact O-C 3.53Å; W21-D24 PolarHBondContact O-N 2.85Å; W21-D24 VanDerWaalsContact O-O 3.05Å
22E79Confident85.9Confident205 Ų205105.3 Ų105.396%0.95852%0.519SS*.THydrogen-bonded Turntrans-60.3-32.5-178.7-68.7-177.4166.700112.8D24E22-D24 VanDerWaalsContact C-N 3.26Å; E22-D24 PolarHBondContact O-N 3.13Å
23C79.3Confident85.9Confident122 Ų12299.6 Ų99.682%0.82449%0.489SS*.THydrogen-bonded Turntrans-68.3-28.4175.9-53.30000112.3W21W21-C23 PolarHBondContact O-N 3Å
24D75.1Confident86.1Confident82 Ų82105.2 Ų105.244%0.43951%0.505SS..  trans-101.8106.5-172.2-78.7-12.3000110.2W21 E22 N26W21-D24 HydrophobicContact CB-CB 4.23Å; W21-D24 CarbonylContact O-C 3.53Å; W21-D24 PolarHBondContact O-N 2.85Å; W21-D24 VanDerWaalsContact O-O 3.05Å; E22-D24 VanDerWaalsContact C-N 3.26Å; E22-D24 PolarHBondContact O-N 3.13Å; D24-N26 HydrophobicContact CB-CB 4.08Å; D24-N26 PolarHBondContact O-N 3.46Å
25N79.5Confident86.3Confident115 Ų115102.8 Ų102.862%0.61550%0.499SS*.THydrogen-bonded Turntrans-74.533.9167.4-160.814.6000112.2L27 H28 E29N25-L27 PolarHBondContact O-N 3.45Å; N25-H28 PolarHBondContact O-N 3.34Å; N25-H28 WeakPolarHBondContact OD1-CB 3.07Å; N25-E29 PolarHBondContact O-N 3.04Å; N25-E29 VanDerWaalsContact O-N 3.13Å
26N83.5Confident86.7Confident57 Ų5793.9 Ų93.931%0.30546%0.46SS..Hα-helixtrans-66.1-41.6-167.8-176.320.5000111.6D24 H28 E29 V30 R41D24-N26 HydrophobicContact CB-CB 4.08Å; D24-N26 PolarHBondContact O-N 3.46Å; N26-H28 VanDerWaalsContact C-N 3.34Å; N26-H28 PolarHBondContact O-N 2.97Å; N26-E29 PolarHBondContact O-N 2.9Å; N26-V30 WeakPolarHBondContact O-CB 3.08Å; N26-V30 VanDerWaalsContact O-CG2 3.29Å; N26-V30 WeakPolarHBondContact O-CG2 3.37Å; N26-V30 PolarHBondContact O-N 3.1Å; N26-V30 WeakPolarHBondContact OD1-CG2 3.48Å; N26-R41 VanDerWaalsContact OD1-CZ 3.3Å; N26-R41 PolarHBondContact OD1-NH1 2.9Å; N26-R41 PolarHBondContact OD1-NH2 3.4Å
27L86.7Confident87.1Confident92 Ų9294 Ų9448%0.48246%0.456SS..Hα-helixtrans-61.7-41.5179.4-67.8-179.4000112.3I19 N20 N25 K31I19-L27 HydrophobicContact CG2-CD2 4.42Å; N20-L27 HydrophobicContact CB-CD1 3.86Å; N25-L27 PolarHBondContact O-N 3.45Å; L27-K31 VanDerWaalsContact O-CB 3.28Å; L27-K31 WeakPolarHBondContact O-CB 3.33Å; L27-K31 PolarHBondContact O-N 3.27Å
28H88.1Confident87.6Confident83 Ų8391 Ų9138%0.38444%0.44SS..Hα-helixtrans-66-46.5177.2-176.973.8000111N25 N26 K31 I32N25-H28 PolarHBondContact O-N 3.34Å; N25-H28 WeakPolarHBondContact OD1-CB 3.07Å; N26-H28 VanDerWaalsContact C-N 3.34Å; N26-H28 PolarHBondContact O-N 2.97Å; H28-K31 WeakPolarHBondContact O-CB 3.31Å; H28-K31 PolarHBondContact O-N 3.48Å; H28-I32 WeakPolarHBondContact O-CG1 3.43Å; H28-I32 PolarHBondContact O-N 3.43Å
29E90.5Very high88Confident26 Ų2688.8 Ų88.812%0.12143%0.432CS..Hα-helixtrans-59.3-49.4177.6174.9163.4-169.900111.9N25 N26 K31 I32 M33 R41 Y44N25-E29 PolarHBondContact O-N 3.04Å; N25-E29 VanDerWaalsContact O-N 3.13Å; N26-E29 PolarHBondContact O-N 2.9Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 3.47Å; E29-I32 PolarHBondContact O-N 3.27Å; E29-I32 VanDerWaalsContact O-N 3.16Å; E29-M33 HydrophobicContact CG-CG 4.3Å; E29-M33 HydrophobicContact CG-SD 3.96Å; E29-M33 WeakPolarHBondContact O-CB 3.43Å; E29-M33 VanDerWaalsContact O-CG 3.29Å; E29-M33 WeakPolarHBondContact O-CG 3.33Å; E29-M33 PolarHBondContact O-N 3.44Å; E29-R41 WeakPolarHBondContact OE1-CG 3.33Å; E29-R41 IonicContact OE1-CZ 3.94Å; E29-R41 IonicContact OE1-NE 2.74Å; E29-R41 PolarHBondContact OE1-NE 2.95Å; E29-R41 IonicContact OE1-NH2 2.75Å; E29-R41 IonicContact OE2-CZ 2.77Å; E29-R41 IonicContact OE2-NE 3.4Å; E29-R41 PolarHBondContact OE2-NE 3.46Å; E29-R41 IonicContact OE2-NH2 3.8Å; E29-R41 PolarHBondContact OE2-NH2 3Å; E29-Y44 HydrophobicContact CB-CD1 4.06Å; E29-Y44 HydrophobicContact CB-CE1 3.73Å; E29-Y44 VanDerWaalsContact CD-CD1 3.43Å; E29-Y44 HydrophobicContact CG-CD1 3.35Å; E29-Y44 HydrophobicContact CG-CE1 3.59Å; E29-Y44 HydrophobicContact CG-CG 4.19Å; E29-Y44 WeakPolarHBondContact OE1-CD1 3.25Å
30V91.3Very high88.4Confident41 Ų4189.1 Ų89.125%0.24843%0.428CS..Hα-helixtrans-60.8-38.3176.7173.70000111.3N26 M33 R34 R41N26-V30 WeakPolarHBondContact O-CB 3.08Å; N26-V30 VanDerWaalsContact O-CG2 3.29Å; N26-V30 WeakPolarHBondContact O-CG2 3.37Å; N26-V30 PolarHBondContact O-N 3.1Å; N26-V30 WeakPolarHBondContact OD1-CG2 3.48Å; V30-M33 PolarHBondContact O-N 3.42Å; V30-R34 HydrophobicContact CG1-CG 4.32Å; V30-R34 WeakPolarHBondContact O-CB 3.33Å; V30-R34 VanDerWaalsContact O-CG 3.29Å; V30-R34 WeakPolarHBondContact O-CG 3.32Å; V30-R34 PolarHBondContact O-N 3.41Å; V30-R41 VanDerWaalsContact CG2-NH1 3.34Å
31K93.2Very high88.8Confident149 Ų14989.8 Ų89.865%0.64843%0.425SS*.Hα-helixtrans-60.8-47.1175.6-177.4-179.9-179.6178.30111.3L27 H28 E29 R34 L35L27-K31 VanDerWaalsContact O-CB 3.28Å; L27-K31 WeakPolarHBondContact O-CB 3.33Å; L27-K31 PolarHBondContact O-N 3.27Å; H28-K31 WeakPolarHBondContact O-CB 3.31Å; H28-K31 PolarHBondContact O-N 3.48Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 3.47Å; K31-R34 PolarHBondContact O-N 3.16Å; K31-L35 WeakPolarHBondContact O-CB 3.35Å; K31-L35 PolarHBondContact O-N 3.18Å
32I93.5Very high89.3Confident15 Ų1589.9 Ų89.98%0.07743%0.432CS..Hα-helixtrans-68.2-42178.8-61.8-57.5000111.4H28 E29 R34 L35 F36 Y44H28-I32 WeakPolarHBondContact O-CG1 3.43Å; H28-I32 PolarHBondContact O-N 3.43Å; E29-I32 PolarHBondContact O-N 3.27Å; E29-I32 VanDerWaalsContact O-N 3.16Å; I32-R34 VanDerWaalsContact C-N 3.32Å; I32-R34 PolarHBondContact O-N 3.01Å; I32-L35 PolarHBondContact O-N 3.38Å; I32-F36 HydrophobicContact CG2-CD2 3.64Å; I32-F36 HydrophobicContact CG2-CE2 3.83Å; I32-F36 PolarHBondContact O-N 3.25Å; I32-Y44 HydrophobicContact CB-CE2 3.9Å; I32-Y44 HydrophobicContact CG1-CE2 4.42Å; I32-Y44 HydrophobicContact CG2-CD2 4.07Å; I32-Y44 HydrophobicContact CG2-CE2 3.49Å; I32-Y44 VanDerWaalsContact CG2-CE2 3.49Å
33M94Very high90Very high27 Ų2781.6 Ų81.613%0.13339%0.394CS..Hα-helixtrans-59.6-42.5175.6-71.9-179.57200111.8E29 V30 H37 I38 R41E29-M33 HydrophobicContact CG-CG 4.3Å; E29-M33 HydrophobicContact CG-SD 3.96Å; E29-M33 WeakPolarHBondContact O-CB 3.43Å; E29-M33 VanDerWaalsContact O-CG 3.29Å; E29-M33 WeakPolarHBondContact O-CG 3.33Å; E29-M33 PolarHBondContact O-N 3.44Å; V30-M33 PolarHBondContact O-N 3.42Å; M33-H37 CarbonylContact O-C 3.53Å; M33-H37 VanDerWaalsContact O-CA 3.23Å; M33-H37 WeakPolarHBondContact O-CA 3.42Å; M33-H37 PolarHBondContact O-N 3.34Å; M33-I38 HydrophobicContact CB-CB 4.32Å; M33-I38 WeakPolarHBondContact CE-O 3.42Å; M33-I38 HydrophobicContact CG-CB 4.23Å; M33-I38 PolarHBondContact O-N 3.43Å; M33-R41 HydrophobicContact CE-CB 3.94Å; M33-R41 HydrophobicContact CE-CG 4.3Å; M33-R41 HydrophobicContact SD-CB 4.21Å; M33-R41 HydrophobicContact SD-CG 3.89Å
34R94Very high90.7Very high199 Ų19976.1 Ų76.175%0.75136%0.356SS*.Hα-helixtrans-66.6-42.7175.5-75.1179.8-177-172.22.2112.1V30 K31 I32 F36 H37V30-R34 HydrophobicContact CG1-CG 4.32Å; V30-R34 WeakPolarHBondContact O-CB 3.33Å; V30-R34 VanDerWaalsContact O-CG 3.29Å; V30-R34 WeakPolarHBondContact O-CG 3.32Å; V30-R34 PolarHBondContact O-N 3.41Å; K31-R34 PolarHBondContact O-N 3.16Å; I32-R34 VanDerWaalsContact C-N 3.32Å; I32-R34 PolarHBondContact O-N 3.01Å; R34-F36 PolarHBondContact O-N 3.46Å; R34-H37 PolarHBondContact O-N 2.96Å
35L93.8Very high91.6Very high109 Ų10974.9 Ų74.957%0.57135%0.352SS*.Hα-helixtrans-60.2-44.8-179.2-176.768.1000112.2K31 I32K31-L35 WeakPolarHBondContact O-CB 3.35Å; K31-L35 PolarHBondContact O-N 3.18Å; I32-L35 PolarHBondContact O-N 3.38Å
36F95.3Very high92.4Very high22 Ų2274 Ų7410%0.09635%0.346CS..THydrogen-bonded Turntrans-100.88.7-178.4-59.7-63000114.1I32 R34 I38 C106 R107 V112 M123I32-F36 HydrophobicContact CG2-CD2 3.64Å; I32-F36 HydrophobicContact CG2-CE2 3.83Å; I32-F36 PolarHBondContact O-N 3.25Å; R34-F36 PolarHBondContact O-N 3.46Å; F36-I38 VanDerWaalsContact C-N 3.3Å; F36-I38 HydrophobicContact CB-CD1 4.39Å; F36-I38 HydrophobicContact CB-CG1 4.06Å; F36-I38 PolarHBondContact O-N 3.03Å; F36-C106 HydrophobicContact CB-CB 4.2Å; F36-C106 HydrophobicContact CD1-CB 4.46Å; F36-C106 HydrophobicContact CD2-CB 3.38Å; F36-C106 HydrophobicContact CE2-CB 3.77Å; F36-C106 HydrophobicContact CG-CB 3.77Å; F36-C106 HydrophobicContact CZ-CB 4.47Å; F36-R107 HydrophobicContact CE1-CG 3.66Å; F36-R107 HydrophobicContact CZ-CG 3.67Å; F36-V112 HydrophobicContact CB-CG2 4.27Å; F36-V112 HydrophobicContact CD1-CG1 4.4Å; F36-V112 HydrophobicContact CD1-CG2 3.72Å; F36-V112 HydrophobicContact CG-CG2 4.38Å; F36-M123 WeakPolarHBondContact O-CE 3.45Å
37H95.2Very high93Very high72 Ų7271.9 Ų71.933%0.33333%0.334SS..THydrogen-bonded Turntrans49.546.7-177.7-154.977.1000113.8M33 R34 Q39 M123 V127M33-H37 CarbonylContact O-C 3.53Å; M33-H37 VanDerWaalsContact O-CA 3.23Å; M33-H37 WeakPolarHBondContact O-CA 3.42Å; M33-H37 PolarHBondContact O-N 3.34Å; R34-H37 PolarHBondContact O-N 2.96Å; H37-Q39 PolarHBondContact O-N 3.32Å; H37-M123 HydrophobicContact CB-CB 4.19Å; H37-V127 HydrophobicContact CB-CG2 4.36Å
38I94.6Very high93.3Very high10 Ų1070.5 Ų70.55%0.05133%0.327CS..  trans-75.9122177.6-57.7174.1000108.9M33 F36 K40 D43 Y44 C106M33-I38 HydrophobicContact CB-CB 4.32Å; M33-I38 WeakPolarHBondContact CE-O 3.42Å; M33-I38 HydrophobicContact CG-CB 4.23Å; M33-I38 PolarHBondContact O-N 3.43Å; F36-I38 VanDerWaalsContact C-N 3.3Å; F36-I38 HydrophobicContact CB-CD1 4.39Å; F36-I38 HydrophobicContact CB-CG1 4.06Å; F36-I38 PolarHBondContact O-N 3.03Å; I38-K40 VanDerWaalsContact CG2-O 3.24Å; I38-K40 WeakPolarHBondContact CG2-O 3.39Å; I38-D43 HydrophobicContact CG2-CB 4.07Å; I38-Y44 HydrophobicContact CD1-CD2 4.2Å; I38-C106 HydrophobicContact CD1-CB 4.29Å; I38-C106 WeakPolarHBondContact CD1-SG 3.02Å
39Q91.2Very high93.7Very high97 Ų9773 Ų7345%0.45334%0.337SS..  trans-78.8-47.8-176.4-64.2175.3-12.200112.6H37 E131H37-Q39 PolarHBondContact O-N 3.32Å; Q39-E131 PolarHBondContact NE2-OE1 3.4Å
40K93.2Very high94Very high126 Ų12674.9 Ų74.955%0.54835%0.348SS..  trans-95.7126.9-177.7-63.8-179.1-177.21780110.3I38 E42 D43I38-K40 VanDerWaalsContact CG2-O 3.24Å; I38-K40 WeakPolarHBondContact CG2-O 3.39Å; K40-E42 PolarHBondContact O-N 3.33Å; K40-D43 WeakPolarHBondContact O-CB 3.49Å; K40-D43 PolarHBondContact O-N 2.91Å
41R91.2Very high94.3Very high90 Ų9073 Ų7334%0.3434%0.336SS..Hα-helixtrans-66.4-29.3176.3-167.9160.5-175.3125.1-10.9112.7N26 E29 V30 M33 D43 Y44 T45N26-R41 VanDerWaalsContact OD1-CZ 3.3Å; N26-R41 PolarHBondContact OD1-NH1 2.9Å; N26-R41 PolarHBondContact OD1-NH2 3.4Å; E29-R41 WeakPolarHBondContact OE1-CG 3.33Å; E29-R41 IonicContact OE1-CZ 3.94Å; E29-R41 IonicContact OE1-NE 2.74Å; E29-R41 PolarHBondContact OE1-NE 2.95Å; E29-R41 IonicContact OE1-NH2 2.75Å; E29-R41 IonicContact OE2-CZ 2.77Å; E29-R41 IonicContact OE2-NE 3.4Å; E29-R41 PolarHBondContact OE2-NE 3.46Å; E29-R41 IonicContact OE2-NH2 3.8Å; E29-R41 PolarHBondContact OE2-NH2 3Å; V30-R41 VanDerWaalsContact CG2-NH1 3.34Å; M33-R41 HydrophobicContact CE-CB 3.94Å; M33-R41 HydrophobicContact CE-CG 4.3Å; M33-R41 HydrophobicContact SD-CB 4.21Å; M33-R41 HydrophobicContact SD-CG 3.89Å; R41-D43 VanDerWaalsContact C-N 3.29Å; R41-D43 PolarHBondContact O-N 3.29Å; R41-Y44 PolarHBondContact O-N 2.97Å; R41-T45 PolarHBondContact O-N 3.4Å; R41-T45 PolarHBondContact O-OG1 3.09Å
42E93.5Very high94.4Very high149 Ų14973.1 Ų73.170%0.69633%0.333SS*.Hα-helixtrans-57.7-39.5175.9-67.4161.3-164.900112.2K40 Y44 T45 L46K40-E42 PolarHBondContact O-N 3.33Å; E42-Y44 VanDerWaalsContact C-N 3.32Å; E42-Y44 PolarHBondContact O-N 3.16Å; E42-T45 WeakPolarHBondContact O-CB 3.38Å; E42-T45 PolarHBondContact O-N 3.16Å; E42-L46 WeakPolarHBondContact O-CB 3.49Å; E42-L46 PolarHBondContact O-N 3.11Å
43D94.3Very high94.6Very high30 Ų3078.5 Ų78.516%0.1636%0.356CS..Hα-helixtrans-57.5-45.9177.8-66.80000111.2I38 K40 R41 L46 Y47 R109I38-D43 HydrophobicContact CG2-CB 4.07Å; K40-D43 WeakPolarHBondContact O-CB 3.49Å; K40-D43 PolarHBondContact O-N 2.91Å; R41-D43 VanDerWaalsContact C-N 3.29Å; R41-D43 PolarHBondContact O-N 3.29Å; D43-L46 WeakPolarHBondContact O-CB 3.44Å; D43-L46 PolarHBondContact O-N 2.95Å; D43-Y47 HydrophobicContact CB-CE2 4.19Å; D43-Y47 WeakPolarHBondContact O-CD2 3.49Å; D43-Y47 PolarHBondContact O-N 3.03Å; D43-R109 IonicContact OD2-CZ 3.26Å; D43-R109 IonicContact OD2-NH1 2.71Å; D43-R109 PolarHBondContact OD2-NH1 2.81Å; D43-R109 IonicContact OD2-NH2 3.6Å; D43-R109 PolarHBondContact OD2-NH2 3.23Å; D43-R109 VanDerWaalsContact OD2-NH2 3.14Å
44Y93.8Very high94.7Very high8 Ų878.3 Ų78.33%0.03136%0.355CS..Hα-helixtrans-67.5-39.9-179.2-174.6-102.2000111.5E29 I32 I38 R41 E42 L46 Y47 N48 A102E29-Y44 HydrophobicContact CB-CD1 4.06Å; E29-Y44 HydrophobicContact CB-CE1 3.73Å; E29-Y44 VanDerWaalsContact CD-CD1 3.43Å; E29-Y44 HydrophobicContact CG-CD1 3.35Å; E29-Y44 HydrophobicContact CG-CE1 3.59Å; E29-Y44 HydrophobicContact CG-CG 4.19Å; E29-Y44 WeakPolarHBondContact OE1-CD1 3.25Å; I32-Y44 HydrophobicContact CB-CE2 3.9Å; I32-Y44 HydrophobicContact CG1-CE2 4.42Å; I32-Y44 HydrophobicContact CG2-CD2 4.07Å; I32-Y44 HydrophobicContact CG2-CE2 3.49Å; I32-Y44 VanDerWaalsContact CG2-CE2 3.49Å; I38-Y44 HydrophobicContact CD1-CD2 4.2Å; R41-Y44 PolarHBondContact O-N 2.97Å; E42-Y44 VanDerWaalsContact C-N 3.32Å; E42-Y44 PolarHBondContact O-N 3.16Å; Y44-L46 VanDerWaalsContact C-N 3.31Å; Y44-L46 PolarHBondContact O-N 3.35Å; Y44-Y47 PolarHBondContact O-N 3.36Å; Y44-N48 WeakPolarHBondContact CD1-ND2 3.39Å; Y44-N48 WeakPolarHBondContact CE1-ND2 3.46Å; Y44-N48 PolarHBondContact O-N 3.28Å; Y44-A102 HydrophobicContact CD2-CB 4.12Å; Y44-A102 HydrophobicContact CE2-CB 3.6Å
45T93.6Very high94.8Very high55 Ų5573.9 Ų73.934%0.33734%0.338SS..Hα-helixtrans-62-41.4174.9-57.20000111R41 E42 N48 K49R41-T45 PolarHBondContact O-N 3.4Å; R41-T45 PolarHBondContact O-OG1 3.09Å; E42-T45 WeakPolarHBondContact O-CB 3.38Å; E42-T45 PolarHBondContact O-N 3.16Å; T45-N48 PolarHBondContact O-N 2.88Å; T45-K49 WeakPolarHBondContact O-CG 3.32Å; T45-K49 PolarHBondContact O-N 3.48Å
46L95.8Very high94.9Very high97 Ų9772.5 Ų72.551%0.50833%0.328SS..Hα-helixtrans-62.1-46.8175.6-172.780.1000111.3E42 D43 Y44 N48 K49 L50E42-L46 WeakPolarHBondContact O-CB 3.49Å; E42-L46 PolarHBondContact O-N 3.11Å; D43-L46 WeakPolarHBondContact O-CB 3.44Å; D43-L46 PolarHBondContact O-N 2.95Å; Y44-L46 VanDerWaalsContact C-N 3.31Å; Y44-L46 PolarHBondContact O-N 3.35Å; L46-N48 VanDerWaalsContact C-N 3.3Å; L46-N48 PolarHBondContact O-N 3.06Å; L46-K49 WeakPolarHBondContact O-CB 3.3Å; L46-K49 PolarHBondContact O-N 3.5Å; L46-K49 VanDerWaalsContact O-N 3.16Å; L46-L50 HydrophobicContact CG-CD1 4.28Å; L46-L50 WeakPolarHBondContact O-CG 3.5Å; L46-L50 PolarHBondContact O-N 2.71Å
47Y96Very high94.9Very high13 Ų1375.4 Ų75.45%0.05134%0.344CS..Hα-helixtrans-63.8-35.1177.4-60.7-34.4000112.7D43 Y44 L50 S51 F105 R109 L148D43-Y47 HydrophobicContact CB-CE2 4.19Å; D43-Y47 WeakPolarHBondContact O-CD2 3.49Å; D43-Y47 PolarHBondContact O-N 3.03Å; Y44-Y47 PolarHBondContact O-N 3.36Å; Y47-L50 PolarHBondContact O-N 3.03Å; Y47-S51 WeakPolarHBondContact O-CB 3.49Å; Y47-S51 PolarHBondContact O-N 2.82Å; Y47-S51 PolarHBondContact O-OG 3.34Å; Y47-F105 HydrophobicContact CD1-CB 3.67Å; Y47-F105 HydrophobicContact CD1-CD1 4.21Å; Y47-F105 AromaticContact CD1-CG 3.97Å; Y47-F105 HydrophobicContact CD1-CG 3.97Å; Y47-F105 HydrophobicContact CD2-CB 4.08Å; Y47-F105 HydrophobicContact CE1-CB 4.12Å; Y47-F105 HydrophobicContact CE2-CB 4.48Å; Y47-F105 HydrophobicContact CG-CB 3.66Å; Y47-F105 HydrophobicContact CG-CG 4.23Å; Y47-R109 PolarHBondContact OH-NH1 2.88Å; Y47-L148 HydrophobicContact CE1-CD1 4.25Å
48N94.3Very high94.9Very high62 Ų6272 Ų7233%0.33233%0.329SS..Hα-helixtrans-63.5-44.4172.4-85.6-31.3000111.5Y44 T45 L46 S51 R52 A102Y44-N48 WeakPolarHBondContact CD1-ND2 3.39Å; Y44-N48 WeakPolarHBondContact CE1-ND2 3.46Å; Y44-N48 PolarHBondContact O-N 3.28Å; T45-N48 PolarHBondContact O-N 2.88Å; L46-N48 VanDerWaalsContact C-N 3.3Å; L46-N48 PolarHBondContact O-N 3.06Å; N48-S51 WeakPolarHBondContact CA-OG 3.16Å; N48-S51 PolarHBondContact O-OG 3.4Å; N48-R52 WeakPolarHBondContact O-CB 3.07Å; N48-R52 PolarHBondContact O-N 3.36Å; N48-A102 WeakPolarHBondContact OD1-CB 3.21Å
49K96.3Very high94.9Very high136 Ų13675.6 Ų75.659%0.59135%0.345SS*.Hα-helixtrans-62.1-45.6175.9-70.9175.4-179.3177.70111.6T45 L46 R52 K53T45-K49 WeakPolarHBondContact O-CG 3.32Å; T45-K49 PolarHBondContact O-N 3.48Å; L46-K49 WeakPolarHBondContact O-CB 3.3Å; L46-K49 PolarHBondContact O-N 3.5Å; L46-K49 VanDerWaalsContact O-N 3.16Å; K49-R52 PolarHBondContact O-N 3.35Å; K49-K53 PolarHBondContact O-N 2.92Å
50L96.7Very high95.1Very high66 Ų6677.9 Ų77.935%0.34635%0.354SS..Hα-helixtrans-64.9-45.5179-71.9174.7000112.4L46 Y47 R52 K53 I54 F105L46-L50 HydrophobicContact CG-CD1 4.28Å; L46-L50 WeakPolarHBondContact O-CG 3.5Å; L46-L50 PolarHBondContact O-N 2.71Å; Y47-L50 PolarHBondContact O-N 3.03Å; L50-R52 VanDerWaalsContact C-N 3.28Å; L50-R52 PolarHBondContact O-N 3.29Å; L50-K53 PolarHBondContact O-N 3.5Å; L50-I54 WeakPolarHBondContact O-CG1 3.33Å; L50-I54 PolarHBondContact O-N 3.4Å; L50-F105 HydrophobicContact CB-CE2 4.36Å; L50-F105 HydrophobicContact CB-CZ 4.15Å
51S96.3Very high95.1Very high1 Ų172.3 Ų72.31%0.00733%0.33CS..Hα-helixtrans-63.6-33.9176.560.20000112.2Y47 N48 I54 R55Y47-S51 WeakPolarHBondContact O-CB 3.49Å; Y47-S51 PolarHBondContact O-N 2.82Å; Y47-S51 PolarHBondContact O-OG 3.34Å; N48-S51 WeakPolarHBondContact CA-OG 3.16Å; N48-S51 PolarHBondContact O-OG 3.4Å; S51-I54 PolarHBondContact O-N 2.95Å; S51-R55 VanDerWaalsContact O-CG 3.3Å; S51-R55 WeakPolarHBondContact O-CG 3.41Å; S51-R55 PolarHBondContact O-N 2.93Å; S51-R55 VanDerWaalsContact O-N 3.09Å; S51-R55 PolarHBondContact O-NE 3.35Å
52R96.6Very high95.2Very high151 Ų15173.8 Ų73.857%0.5734%0.339SS*.Hα-helixtrans-64.1-46.9171.9-169176.9-173.7-107.914.5112N48 K49 L50 I54 R55 E56N48-R52 WeakPolarHBondContact O-CB 3.07Å; N48-R52 PolarHBondContact O-N 3.36Å; K49-R52 PolarHBondContact O-N 3.35Å; L50-R52 VanDerWaalsContact C-N 3.28Å; L50-R52 PolarHBondContact O-N 3.29Å; R52-I54 VanDerWaalsContact C-N 3.3Å; R52-I54 PolarHBondContact O-N 3.2Å; R52-R55 PolarHBondContact O-N 3.25Å; R52-R55 VanDerWaalsContact O-N 3.11Å; R52-E56 HydrophobicContact CG-CG 4.5Å; R52-E56 WeakPolarHBondContact CG-OE1 3.49Å; R52-E56 IonicContact CZ-OE1 2.8Å; R52-E56 VanDerWaalsContact CZ-OE1 3.26Å; R52-E56 IonicContact NE-OE1 3.46Å; R52-E56 IonicContact NH1-OE1 3.43Å; R52-E56 PolarHBondContact NH1-OE1 3.39Å; R52-E56 WeakPolarHBondContact O-CG 3.26Å; R52-E56 PolarHBondContact O-N 3.41Å
53K97Very high95.2Very high129 Ų12972.6 Ų72.656%0.56134%0.337SS*.Hα-helixtrans-57.9-42176.2-71.6-179177.1-174.10112.3K49 L50 R55 E56 I57K49-K53 PolarHBondContact O-N 2.92Å; L50-K53 PolarHBondContact O-N 3.5Å; K53-R55 VanDerWaalsContact C-N 3.34Å; K53-R55 PolarHBondContact O-N 3.3Å; K53-E56 PolarHBondContact O-N 3.43Å; K53-I57 WeakPolarHBondContact O-CG1 3.11Å; K53-I57 PolarHBondContact O-N 2.89Å
54I96.4Very high95.1Very high22 Ų2273.6 Ų73.611%0.11334%0.342CS..Hα-helixtrans-61-44.8176.1-68.9164.2000110.8L50 S51 R52 I57 A58 L82 L87 V100 F105L50-I54 WeakPolarHBondContact O-CG1 3.33Å; L50-I54 PolarHBondContact O-N 3.4Å; S51-I54 PolarHBondContact O-N 2.95Å; R52-I54 VanDerWaalsContact C-N 3.3Å; R52-I54 PolarHBondContact O-N 3.2Å; I54-I57 PolarHBondContact O-N 3.44Å; I54-A58 WeakPolarHBondContact O-CB 3.32Å; I54-A58 PolarHBondContact O-N 3.23Å; I54-L82 HydrophobicContact CD1-CD2 3.77Å; I54-L82 HydrophobicContact CG1-CD2 4.29Å; I54-L82 HydrophobicContact CG2-CD1 3.8Å; I54-L82 HydrophobicContact CG2-CD2 4.09Å; I54-L87 HydrophobicContact CD1-CD1 4.3Å; I54-V100 HydrophobicContact CD1-CG1 4.4Å; I54-V100 HydrophobicContact CG2-CB 4.41Å; I54-F105 HydrophobicContact CD1-CE2 4.07Å; I54-F105 HydrophobicContact CD1-CZ 3.65Å
55R95.9Very high95.1Very high107 Ų10778 Ų7840%0.40437%0.366SS..Hα-helixtrans-65.4-39.3177.9-69.7-176.7-68.2135.5-4.3112.5S51 R52 K53 I57 A58 E59 S98 V100S51-R55 VanDerWaalsContact O-CG 3.3Å; S51-R55 WeakPolarHBondContact O-CG 3.41Å; S51-R55 PolarHBondContact O-N 2.93Å; S51-R55 VanDerWaalsContact O-N 3.09Å; S51-R55 PolarHBondContact O-NE 3.35Å; R52-R55 PolarHBondContact O-N 3.25Å; R52-R55 VanDerWaalsContact O-N 3.11Å; K53-R55 VanDerWaalsContact C-N 3.34Å; K53-R55 PolarHBondContact O-N 3.3Å; R55-I57 VanDerWaalsContact C-N 3.35Å; R55-A58 PolarHBondContact O-N 2.88Å; R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.99Å; R55-S98 WeakPolarHBondContact CD-O 3.49Å; R55-S98 WeakPolarHBondContact CG-O 3.4Å; R55-V100 WeakPolarHBondContact CD-O 3.46Å
56E96.4Very high94.8Very high79 Ų7982.7 Ų82.737%0.36938%0.384SS..Hα-helixtrans-61.9-42.2175.3-72.9168.8-170.100111.6R52 K53 E59 K60R52-E56 HydrophobicContact CG-CG 4.5Å; R52-E56 WeakPolarHBondContact CG-OE1 3.49Å; R52-E56 IonicContact CZ-OE1 2.8Å; R52-E56 VanDerWaalsContact CZ-OE1 3.26Å; R52-E56 IonicContact NE-OE1 3.46Å; R52-E56 IonicContact NH1-OE1 3.43Å; R52-E56 PolarHBondContact NH1-OE1 3.39Å; R52-E56 WeakPolarHBondContact O-CG 3.26Å; R52-E56 PolarHBondContact O-N 3.41Å; K53-E56 PolarHBondContact O-N 3.43Å; E56-E59 PolarHBondContact O-N 2.88Å; E56-K60 WeakPolarHBondContact O-CG 3.33Å; E56-K60 PolarHBondContact O-N 2.94Å
57I95.5Very high94.6Very high83 Ų8384.6 Ų84.643%0.42640%0.395SS..Hα-helixtrans-64.3-45.7174.7-65.3165.6000110.3K53 I54 R55 E59 K60 L61 L78K53-I57 WeakPolarHBondContact O-CG1 3.11Å; K53-I57 PolarHBondContact O-N 2.89Å; I54-I57 PolarHBondContact O-N 3.44Å; R55-I57 VanDerWaalsContact C-N 3.35Å; I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 3.22Å; I57-K60 PolarHBondContact O-N 3.32Å; I57-L61 HydrophobicContact CG2-CD1 4.18Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.2Å; I57-L78 HydrophobicContact CG2-CD2 4.08Å
58A95.1Very high94.5Very high2 Ų287.1 Ų87.12%0.01741%0.409CS..Hα-helixtrans-61-38.3178.400000112.3I54 R55 L61 K62 L94 A97I54-A58 WeakPolarHBondContact O-CB 3.32Å; I54-A58 PolarHBondContact O-N 3.23Å; R55-A58 PolarHBondContact O-N 2.88Å; A58-L61 PolarHBondContact O-N 3.36Å; A58-K62 WeakPolarHBondContact O-CB 3.3Å; A58-K62 PolarHBondContact O-N 3.34Å; A58-L94 HydrophobicContact CB-CD1 4.1Å; A58-A97 HydrophobicContact CB-CB 3.99Å
59E94.8Very high94.5Very high84 Ų8489 Ų8939%0.39343%0.425SS..Hα-helixtrans-70.1-40.4177.2-161.364.1-162.600111.8R55 E56 I57 L61 K62 N63R55-E59 WeakPolarHBondContact O-CB 3.43Å; R55-E59 PolarHBondContact O-N 2.99Å; E56-E59 PolarHBondContact O-N 2.88Å; I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 3.22Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.3Å; E59-K62 WeakPolarHBondContact O-CB 3.44Å; E59-K62 PolarHBondContact O-N 3.49Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-K62 IonicContact OE1-NZ 3.86Å; E59-N63 PolarHBondContact O-N 3.37Å; E59-N63 VanDerWaalsContact O-N 3.1Å; E59-N63 PolarHBondContact O-ND2 3.11Å
60K94.5Very high94.5Very high146 Ų14688.5 Ų88.564%0.63542%0.42SS*.Hα-helixtrans-60.1-43.9173.4-74176.4-179.9-175.40111.7E56 I57 K62 N63E56-K60 WeakPolarHBondContact O-CG 3.33Å; E56-K60 PolarHBondContact O-N 2.94Å; I57-K60 PolarHBondContact O-N 3.32Å; K60-K62 VanDerWaalsContact C-N 3.28Å; K60-K62 PolarHBondContact O-N 3.33Å; K60-N63 PolarHBondContact O-N 3.48Å
61L94.2Very high94.3Very high9 Ų987.4 Ų87.45%0.04741%0.411CS..Hα-helixtrans-64.3-33.6175.9-72.4174.4000112.4I57 A58 E59 N63 W70 R71 M74 L78 L94I57-L61 HydrophobicContact CG2-CD1 4.18Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3.2Å; A58-L61 PolarHBondContact O-N 3.36Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.3Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-W70 HydrophobicContact CD2-CH2 4.45Å; L61-W70 HydrophobicContact CD2-CZ3 3.88Å; L61-R71 WeakPolarHBondContact O-CD 3.37Å; L61-R71 PolarHBondContact O-NE 3.48Å; L61-M74 HydrophobicContact CD1-CB 4.48Å; L61-M74 HydrophobicContact CD2-CB 3.67Å; L61-L78 HydrophobicContact CD1-CD2 3.84Å; L61-L94 HydrophobicContact CB-CD2 4.09Å; L61-L94 HydrophobicContact CD1-CD1 4.36Å
62K92Very high94.2Very high121 Ų12190.3 Ų90.353%0.52644%0.435SS..Hα-helixtrans-68.4-31.7177-174.1-174169.8-1600112.6A58 E59 K60 I64A58-K62 WeakPolarHBondContact O-CB 3.3Å; A58-K62 PolarHBondContact O-N 3.34Å; E59-K62 WeakPolarHBondContact O-CB 3.44Å; E59-K62 PolarHBondContact O-N 3.49Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-K62 IonicContact OE1-NZ 3.86Å; K60-K62 VanDerWaalsContact C-N 3.28Å; K60-K62 PolarHBondContact O-N 3.33Å; K62-I64 VanDerWaalsContact C-N 3.31Å
63N93.2Very high94.1Very high124 Ų12489 Ų8966%0.66344%0.435SS*.THydrogen-bonded Turntrans-78.2-12.8-179.3-68.2-21000114E59 K60 L61E59-N63 PolarHBondContact O-N 3.37Å; E59-N63 VanDerWaalsContact O-N 3.1Å; E59-N63 PolarHBondContact O-ND2 3.11Å; K60-N63 PolarHBondContact O-N 3.48Å; L61-N63 VanDerWaalsContact C-N 3.32Å
64I93.4Very high94Very high51 Ų5185.6 Ų85.626%0.26242%0.422SS..SBendtrans-81.6150.4176.1-64.7167.4000109K62 D68 W70 R71K62-I64 VanDerWaalsContact C-N 3.31Å; I64-D68 HydrophobicContact CG2-CB 4.06Å; I64-W70 HydrophobicContact CD1-CE3 3.83Å; I64-W70 HydrophobicContact CD1-CH2 4.41Å; I64-W70 HydrophobicContact CD1-CZ3 3.33Å; I64-R71 HydrophobicContact CG2-CB 3.96Å; I64-R71 HydrophobicContact CG2-CG 4.47Å; I64-R71 WeakPolarHBondContact O-CD 3.33Å; I64-R71 PolarHBondContact O-NH1 2.91Å
65D92.7Very high93.9Very high100 Ų10085.9 Ų85.954%0.53543%0.425SS..  trans-59.3147.7179.2-171.644.3000112.3N67 D68 R71D65-N67 VanDerWaalsContact C-N 3.28Å; D65-N67 PolarHBondContact O-N 2.96Å; D65-N67 WeakPolarHBondContact OD2-CB 3.5Å; D65-N67 PolarHBondContact OD2-N 2.73Å; D65-N67 PolarHBondContact OD2-ND2 3.01Å; D65-D68 PolarHBondContact O-N 2.81Å; D65-R71 WeakPolarHBondContact O-CD 3.32Å
66E88.7Confident93.9Very high153 Ų15385.8 Ų85.872%0.71543%0.429SS*.THydrogen-bonded Turntrans-72.6-23.5-175.8-166.9161.7-168.700112.8D68 R71E66-D68 VanDerWaalsContact C-N 3.35Å; E66-R71 VanDerWaalsContact CA-NH1 3.27Å
67N91.1Very high93.8Very high138 Ų13886.9 Ų86.974%0.73844%0.437SS*.THydrogen-bonded Turntrans-85.7-7.3-179.1-52.8-65.6000113.5D65 P69D65-N67 VanDerWaalsContact C-N 3.28Å; D65-N67 PolarHBondContact O-N 2.96Å; D65-N67 WeakPolarHBondContact OD2-CB 3.5Å; D65-N67 PolarHBondContact OD2-N 2.73Å; D65-N67 PolarHBondContact OD2-ND2 3.01Å; N67-P69 WeakPolarHBondContact O-CD 3.47Å
68D93.7Very high93.8Very high65 Ų6584 Ų8435%0.34842%0.422SS..  trans-71.4120179.7-170.4-23.3000110.2I64 D65 E66 W70 R71 A72I64-D68 HydrophobicContact CG2-CB 4.06Å; D65-D68 PolarHBondContact O-N 2.81Å; E66-D68 VanDerWaalsContact C-N 3.35Å; D68-W70 PolarHBondContact O-N 2.77Å; D68-W70 VanDerWaalsContact OD1-CB 3.28Å; D68-W70 WeakPolarHBondContact OD1-CB 3.28Å; D68-W70 PolarHBondContact OD1-N 2.94Å; D68-R71 HydrophobicContact CB-CB 4.36Å; D68-R71 WeakPolarHBondContact O-CB 3.44Å; D68-R71 PolarHBondContact O-N 3.02Å; D68-R71 VanDerWaalsContact O-N 3.09Å; D68-A72 PolarHBondContact O-N 3.29Å
69P94.8Very high93.8Very high102 Ų10284 Ų8466%0.66242%0.422SS*.Hα-helixtrans-57.9-30.7177.623.4-33.9000112.9N67 R71 A72 E73N67-P69 WeakPolarHBondContact O-CD 3.47Å; P69-R71 VanDerWaalsContact C-N 3.33Å; P69-R71 PolarHBondContact O-N 2.96Å; P69-A72 PolarHBondContact O-N 3.19Å; P69-E73 PolarHBondContact O-N 3.03Å; P69-E73 VanDerWaalsContact O-N 3.1Å
70W94.7Very high93.8Very high126 Ų12681 Ų8148%0.47741%0.411SS..Hα-helixtrans-64.3-38.5178.1-173.483.7000112L61 I64 D68 A72 E73 M74L61-W70 HydrophobicContact CD2-CH2 4.45Å; L61-W70 HydrophobicContact CD2-CZ3 3.88Å; I64-W70 HydrophobicContact CD1-CE3 3.83Å; I64-W70 HydrophobicContact CD1-CH2 4.41Å; I64-W70 HydrophobicContact CD1-CZ3 3.33Å; D68-W70 PolarHBondContact O-N 2.77Å; D68-W70 VanDerWaalsContact OD1-CB 3.28Å; D68-W70 WeakPolarHBondContact OD1-CB 3.28Å; D68-W70 PolarHBondContact OD1-N 2.94Å; W70-A72 VanDerWaalsContact C-N 3.34Å; W70-A72 PolarHBondContact O-N 3.44Å; W70-E73 PolarHBondContact O-N 3.4Å; W70-M74 HydrophobicContact CD2-CG 3.83Å; W70-M74 HydrophobicContact CE3-CG 4.11Å; W70-M74 HydrophobicContact CG-CG 4.42Å; W70-M74 HydrophobicContact CH2-CG 3.98Å; W70-M74 HydrophobicContact CZ2-CG 3.69Å; W70-M74 HydrophobicContact CZ2-SD 4.23Å; W70-M74 HydrophobicContact CZ3-CG 4.16Å; W70-M74 WeakPolarHBondContact O-CB 3.29Å; W70-M74 VanDerWaalsContact O-CG 3.28Å; W70-M74 WeakPolarHBondContact O-CG 3.4Å; W70-M74 PolarHBondContact O-N 2.94Å
71R94.3Very high93.9Very high42 Ų4280.4 Ų80.416%0.15841%0.409CS..Hα-helixtrans-63.5-43177-179-177.4172.2-171.8-11.5110.8L61 I64 D65 E66 D68 P69 T75L61-R71 WeakPolarHBondContact O-CD 3.37Å; L61-R71 PolarHBondContact O-NE 3.48Å; I64-R71 HydrophobicContact CG2-CB 3.96Å; I64-R71 HydrophobicContact CG2-CG 4.47Å; I64-R71 WeakPolarHBondContact O-CD 3.33Å; I64-R71 PolarHBondContact O-NH1 2.91Å; D65-R71 WeakPolarHBondContact O-CD 3.32Å; E66-R71 VanDerWaalsContact CA-NH1 3.27Å; D68-R71 HydrophobicContact CB-CB 4.36Å; D68-R71 WeakPolarHBondContact O-CB 3.44Å; D68-R71 PolarHBondContact O-N 3.02Å; D68-R71 VanDerWaalsContact O-N 3.09Å; P69-R71 VanDerWaalsContact C-N 3.33Å; P69-R71 PolarHBondContact O-N 2.96Å; R71-T75 WeakPolarHBondContact O-CB 3.48Å; R71-T75 PolarHBondContact O-N 3.34Å; R71-T75 PolarHBondContact O-OG1 3.47Å
72A92.6Very high94Very high62 Ų6280.3 Ų80.351%0.51241%0.408SS..Hα-helixtrans-62.4-47.7179.600000111.3D68 P69 W70 T75 E76D68-A72 PolarHBondContact O-N 3.29Å; P69-A72 PolarHBondContact O-N 3.19Å; W70-A72 VanDerWaalsContact C-N 3.34Å; W70-A72 PolarHBondContact O-N 3.44Å; A72-T75 PolarHBondContact O-N 3.28Å; A72-E76 PolarHBondContact O-N 2.99Å
73E95.2Very high94.2Very high123 Ų12376 Ų7658%0.57539%0.39SS*.Hα-helixtrans-61.5-50.5178.8-172-175.3176.500112P69 W70 T75 E76 L77P69-E73 PolarHBondContact O-N 3.03Å; P69-E73 VanDerWaalsContact O-N 3.1Å; W70-E73 PolarHBondContact O-N 3.4Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.35Å; E73-E76 PolarHBondContact O-N 2.95Å; E73-L77 PolarHBondContact O-N 3.31Å
74M94.8Very high94.3Very high58 Ų5874.4 Ų74.429%0.28638%0.381SS..Hα-helixtrans-66.3-34.1-179.3-67.4-63.6139.200112.5L61 W70 L78L61-M74 HydrophobicContact CD1-CB 4.48Å; L61-M74 HydrophobicContact CD2-CB 3.67Å; W70-M74 HydrophobicContact CD2-CG 3.83Å; W70-M74 HydrophobicContact CE3-CG 4.11Å; W70-M74 HydrophobicContact CG-CG 4.42Å; W70-M74 HydrophobicContact CH2-CG 3.98Å; W70-M74 HydrophobicContact CZ2-CG 3.69Å; W70-M74 HydrophobicContact CZ2-SD 4.23Å; W70-M74 HydrophobicContact CZ3-CG 4.16Å; W70-M74 WeakPolarHBondContact O-CB 3.29Å; W70-M74 VanDerWaalsContact O-CG 3.28Å; W70-M74 WeakPolarHBondContact O-CG 3.4Å; W70-M74 PolarHBondContact O-N 2.94Å; M74-L78 WeakPolarHBondContact O-CB 3.45Å; M74-L78 PolarHBondContact O-N 3.3Å
75T94.5Very high94.4Very high28 Ų2875.3 Ų75.317%0.17239%0.386CS..Hα-helixtrans-64.4-47.5175-63.60000110.6R71 A72 E73 L77 L78 T79 L94R71-T75 WeakPolarHBondContact O-CB 3.48Å; R71-T75 PolarHBondContact O-N 3.34Å; R71-T75 PolarHBondContact O-OG1 3.47Å; A72-T75 PolarHBondContact O-N 3.28Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.35Å; T75-L77 VanDerWaalsContact C-N 3.35Å; T75-L77 PolarHBondContact O-N 3Å; T75-L78 PolarHBondContact O-N 3.08Å; T75-T79 HydrophobicContact CG2-CG2 4.27Å; T75-T79 WeakPolarHBondContact O-CG2 3.19Å; T75-T79 PolarHBondContact O-N 3.16Å; T75-T79 PolarHBondContact O-OG1 3.46Å; T75-L94 HydrophobicContact CG2-CB 4.16Å; T75-L94 HydrophobicContact CG2-CD1 4.25Å
76E94.5Very high94.5Very high105 Ų10571.5 Ų71.549%0.49137%0.371SS..Hα-helixtrans-62.8-42.5178-176.756.2-150.900111.4A72 E73 L78 T79 A80A72-E76 PolarHBondContact O-N 2.99Å; E73-E76 PolarHBondContact O-N 2.95Å; E76-L78 PolarHBondContact O-N 3.29Å; E76-T79 PolarHBondContact O-N 2.84Å; E76-T79 PolarHBondContact O-OG1 3.02Å; E76-T79 VanDerWaalsContact O-OG1 3.13Å; E76-A80 WeakPolarHBondContact O-CB 3.43Å; E76-A80 PolarHBondContact O-N 3.48Å
77L95.4Very high94.8Very high103 Ų10364.8 Ų64.854%0.53934%0.34SS..Hα-helixtrans-62.2-44.6177.8-163.5157.1000111.3E73 T75 K81E73-L77 PolarHBondContact O-N 3.31Å; T75-L77 VanDerWaalsContact C-N 3.35Å; T75-L77 PolarHBondContact O-N 3Å; L77-K81 VanDerWaalsContact O-CB 3.31Å; L77-K81 WeakPolarHBondContact O-CB 3.09Å; L77-K81 PolarHBondContact O-N 3.39Å
78L95.3Very high95Very high22 Ų2258.5 Ų58.512%0.11531%0.306CS..Hα-helixtrans-64.3-50.5178-178.364.8000111.6I57 L61 M74 T75 E76 K81 L82 L94 A97I57-L78 HydrophobicContact CG2-CD2 4.08Å; L61-L78 HydrophobicContact CD1-CD2 3.84Å; M74-L78 WeakPolarHBondContact O-CB 3.45Å; M74-L78 PolarHBondContact O-N 3.3Å; T75-L78 PolarHBondContact O-N 3.08Å; E76-L78 PolarHBondContact O-N 3.29Å; L78-K81 PolarHBondContact O-N 2.92Å; L78-L82 HydrophobicContact CD1-CD1 3.94Å; L78-L82 HydrophobicContact CD1-CG 4.2Å; L78-L82 HydrophobicContact CG-CD1 3.91Å; L78-L82 HydrophobicContact CG-CG 4.47Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.07Å; L78-L94 HydrophobicContact CD2-CD1 4.12Å; L78-A97 HydrophobicContact CD2-CB 4.37Å
79T95.2Very high94.9Very high3 Ų359.6 Ų59.62%0.01832%0.317CS..Hα-helixtrans-66-39.9-178.157.80000111.3T75 E76 L82 H83 K91T75-T79 HydrophobicContact CG2-CG2 4.27Å; T75-T79 WeakPolarHBondContact O-CG2 3.19Å; T75-T79 PolarHBondContact O-N 3.16Å; T75-T79 PolarHBondContact O-OG1 3.46Å; E76-T79 PolarHBondContact O-N 2.84Å; E76-T79 PolarHBondContact O-OG1 3.02Å; E76-T79 VanDerWaalsContact O-OG1 3.13Å; T79-L82 PolarHBondContact O-N 3.27Å; T79-H83 WeakPolarHBondContact O-CB 3.5Å; T79-H83 PolarHBondContact O-N 3.33Å; T79-K91 WeakPolarHBondContact CB-O 3.23Å; T79-K91 PolarHBondContact OG1-O 3.42Å
80A95.5Very high94.8Very high20 Ų2058 Ų5817%0.16531%0.305CS..Hα-helixtrans-61-46.4174.700000111.4E76 H83 N84E76-A80 WeakPolarHBondContact O-CB 3.43Å; E76-A80 PolarHBondContact O-N 3.48Å; A80-H83 PolarHBondContact O-N 2.67Å; A80-N84 WeakPolarHBondContact O-CB 3.4Å; A80-N84 PolarHBondContact O-N 2.92Å; A80-N84 PolarHBondContact O-OD1 3.02Å
81K95.5Very high94.6Very high133 Ų13355.8 Ų55.858%0.57830%0.299SS*.Hα-helixtrans-62.8-47.3178-172.4171.4-174.2169.70112.1L77 L78 H83 N84 L85L77-K81 VanDerWaalsContact O-CB 3.31Å; L77-K81 WeakPolarHBondContact O-CB 3.09Å; L77-K81 PolarHBondContact O-N 3.39Å; L78-K81 PolarHBondContact O-N 2.92Å; K81-H83 VanDerWaalsContact C-N 3.31Å; K81-H83 PolarHBondContact O-N 3.15Å; K81-N84 PolarHBondContact O-N 3.12Å; K81-L85 HydrophobicContact CG-CD1 4.47Å; K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 2.8Å
82L96.3Very high94.2Very high7 Ų765.3 Ų65.34%0.03734%0.335CS..Hα-helixtrans-65.3-35.4179.8-66.6175.3000112.3I54 L78 T79 G86 L87 I88 A97I54-L82 HydrophobicContact CD1-CD2 3.77Å; I54-L82 HydrophobicContact CG1-CD2 4.29Å; I54-L82 HydrophobicContact CG2-CD1 3.8Å; I54-L82 HydrophobicContact CG2-CD2 4.09Å; L78-L82 HydrophobicContact CD1-CD1 3.94Å; L78-L82 HydrophobicContact CD1-CG 4.2Å; L78-L82 HydrophobicContact CG-CD1 3.91Å; L78-L82 HydrophobicContact CG-CG 4.47Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.41Å; L78-L82 PolarHBondContact O-N 3.07Å; T79-L82 PolarHBondContact O-N 3.27Å; L82-G86 PolarHBondContact O-N 3.43Å; L82-L87 HydrophobicContact CD2-CD1 3.74Å; L82-L87 PolarHBondContact O-N 3Å; L82-I88 HydrophobicContact CB-CD1 3.67Å; L82-I88 HydrophobicContact CB-CG1 4.07Å; L82-I88 HydrophobicContact CD1-CD1 3.55Å; L82-I88 HydrophobicContact CG-CD1 4.24Å; L82-A97 HydrophobicContact CD1-CB 3.7Å
83H95.6Very high93.9Very high32 Ų3264.3 Ų64.315%0.14832%0.324CS..Hα-helixtrans-69.1-43.1174.7178.5-89.5000112.3T79 A80 K81 L85 G86 P89 K91 R151T79-H83 WeakPolarHBondContact O-CB 3.5Å; T79-H83 PolarHBondContact O-N 3.33Å; A80-H83 PolarHBondContact O-N 2.67Å; K81-H83 VanDerWaalsContact C-N 3.31Å; K81-H83 PolarHBondContact O-N 3.15Å; H83-L85 VanDerWaalsContact C-N 3.3Å; H83-L85 PolarHBondContact O-N 3.17Å; H83-G86 WeakPolarHBondContact O-CA 3.48Å; H83-G86 PolarHBondContact O-N 3.41Å; H83-P89 PolarHBondContact CD2-O 3.24Å; H83-P89 PolarHBondContact NE2-O 2.92Å; H83-K91 HydrophobicContact CB-CD 4.44Å; H83-K91 HydrophobicContact CB-CG 3.63Å; H83-K91 VanDerWaalsContact ND1-CE 3.32Å; H83-K91 WeakPolarHBondContact ND1-CE 3.47Å; H83-R151 PolarHBondContact CE1-NH1 3.36Å; H83-R151 PolarHBondContact NE2-NH1 3.5Å
84N95.9Very high93.7Very high89 Ų8959.9 Ų59.948%0.47630%0.304SS..Hα-helixtrans-64.7-35.5177.8-69.9-5.7000111.7A80 K81 G86 R151A80-N84 WeakPolarHBondContact O-CB 3.4Å; A80-N84 PolarHBondContact O-N 2.92Å; A80-N84 PolarHBondContact O-OD1 3.02Å; K81-N84 PolarHBondContact O-N 3.12Å; N84-G86 PolarHBondContact O-N 3.28Å; N84-R151 WeakPolarHBondContact O-CB 3.38Å; N84-R151 PolarHBondContact O-N 2.88Å
85L95.7Very high93.5Very high70 Ų7063.1 Ų63.137%0.36632%0.32SS..THydrogen-bonded Turntrans-70.7-15.8170.4-68.4176.3000113.3K81 H83 L87 R108 T150K81-L85 HydrophobicContact CG-CD1 4.47Å; K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 2.8Å; H83-L85 VanDerWaalsContact C-N 3.3Å; H83-L85 PolarHBondContact O-N 3.17Å; L85-L87 HydrophobicContact CB-CD1 4.37Å; L85-L87 HydrophobicContact CB-CG 4.14Å; L85-L87 HydrophobicContact CD1-CD1 4.29Å; L85-R108 PolarHBondContact O-NE 2.97Å; L85-T150 HydrophobicContact CD2-CG2 4.09Å
86G94.8Very high93.4Very high20 Ų2064.1 Ų64.121%0.20632%0.324CS..THydrogen-bonded Turntrans79.115.7-178.200000114.6L82 H83 N84 I88 R108L82-G86 PolarHBondContact O-N 3.43Å; H83-G86 WeakPolarHBondContact O-CA 3.48Å; H83-G86 PolarHBondContact O-N 3.41Å; N84-G86 PolarHBondContact O-N 3.28Å; G86-I88 VanDerWaalsContact C-N 3.33Å; G86-R108 WeakPolarHBondContact O-CD 3.05Å
87L95.2Very high93.3Very high12 Ų1259.1 Ų59.16%0.06330%0.301CS..SBendtrans-75.1-27.5177.8-62.5176000112.2I54 L82 L85 F105 R108I54-L87 HydrophobicContact CD1-CD1 4.3Å; L82-L87 HydrophobicContact CD2-CD1 3.74Å; L82-L87 PolarHBondContact O-N 3Å; L85-L87 HydrophobicContact CB-CD1 4.37Å; L85-L87 HydrophobicContact CB-CG 4.14Å; L85-L87 HydrophobicContact CD1-CD1 4.29Å; L87-F105 HydrophobicContact CD1-CD1 4.31Å; L87-F105 HydrophobicContact CD1-CE1 3.61Å; L87-F105 HydrophobicContact CD1-CE2 4.06Å; L87-F105 HydrophobicContact CD1-CZ 3.47Å; L87-F105 VanDerWaalsContact CD1-CZ 3.47Å; L87-F105 HydrophobicContact CD2-CD1 3.78Å; L87-F105 HydrophobicContact CD2-CD2 4.16Å; L87-F105 HydrophobicContact CD2-CE1 3.96Å; L87-F105 HydrophobicContact CD2-CE2 4.31Å; L87-F105 HydrophobicContact CD2-CG 3.9Å; L87-F105 HydrophobicContact CD2-CZ 4.22Å; L87-F105 HydrophobicContact CG-CE1 4.41Å; L87-R108 HydrophobicContact CD2-CG 4.24Å
88I95Very high93.2Very high6 Ų656.5 Ų56.53%0.03129%0.291CS..SBendtrans-124.7139.1179.9-63.1177.8000109L82 G86 T90 L96 A97 V100L82-I88 HydrophobicContact CB-CD1 3.67Å; L82-I88 HydrophobicContact CB-CG1 4.07Å; L82-I88 HydrophobicContact CD1-CD1 3.55Å; L82-I88 HydrophobicContact CG-CD1 4.24Å; G86-I88 VanDerWaalsContact C-N 3.33Å; I88-T90 WeakPolarHBondContact CG2-O 3.26Å; I88-L96 HydrophobicContact CD1-CB 4Å; I88-L96 HydrophobicContact CG1-CB 4.25Å; I88-L96 HydrophobicContact CG2-CB 3.51Å; I88-L96 HydrophobicContact CG2-CD1 3.54Å; I88-L96 HydrophobicContact CG2-CG 4.13Å; I88-A97 HydrophobicContact CD1-CB 4.03Å; I88-V100 HydrophobicContact CD1-CG2 4.09Å; I88-V100 HydrophobicContact CG1-CG2 3.88Å
89P92.7Very high93.1Very high88 Ų8862.3 Ų62.357%0.57132%0.315SS*.SBendtrans-71.9-33.7-18027.3-35.9000114.5H83 R151H83-P89 PolarHBondContact CD2-O 3.24Å; H83-P89 PolarHBondContact NE2-O 2.92Å; P89-R151 PolarHBondContact O-NH1 3.43Å
90T92.8Very high93.1Very high68 Ų6862.3 Ų62.342%0.41732%0.315SS..  trans-135.4148.3-174.958.50000112.3I88 L96I88-T90 WeakPolarHBondContact CG2-O 3.26Å; T90-L96 VanDerWaalsContact OG1-CD1 3.26Å; T90-L96 WeakPolarHBondContact OG1-CD1 3.48Å
91K90.8Very high93Very high80 Ų8064.9 Ų64.935%0.34833%0.326SS..SBendtrans-80.2-13.9-179.5-61.1-178.5-177.7-177.70114.5T79 H83 S93T79-K91 WeakPolarHBondContact CB-O 3.23Å; T79-K91 PolarHBondContact OG1-O 3.42Å; H83-K91 HydrophobicContact CB-CD 4.44Å; H83-K91 HydrophobicContact CB-CG 3.63Å; H83-K91 VanDerWaalsContact ND1-CE 3.32Å; H83-K91 WeakPolarHBondContact ND1-CE 3.47Å; K91-S93 VanDerWaalsContact C-N 3.3Å; K91-S93 PolarHBondContact O-N 3.01Å
92R85.7Confident92.9Very high243 Ų24358.6 Ų58.692%0.91730%0.299SS*.SBendtrans-67.1-21.1-164.5-64.7-175.5-178.3174.7-0.1115.6
93S86.4Confident92.8Very high41 Ų4159.1 Ų59.129%0.28730%0.304SS..  trans-135.1122.6-167.8-173.20000113K91 M95 L96K91-S93 VanDerWaalsContact C-N 3.3Å; K91-S93 PolarHBondContact O-N 3.01Å; S93-M95 PolarHBondContact O-N 3.14Å; S93-M95 WeakPolarHBondContact OG-CB 3.46Å; S93-M95 PolarHBondContact OG-N 2.83Å; S93-L96 PolarHBondContact O-N 3.16Å; S93-L96 VanDerWaalsContact O-N 3.16Å
94L89.4Confident92.8Very high29 Ų2958 Ų5815%0.15230%0.299CS..Hα-helixtrans-60.9-26.5168.9-175.463.2000112A58 L61 T75 L78 L96 A97 S98A58-L94 HydrophobicContact CB-CD1 4.1Å; L61-L94 HydrophobicContact CB-CD2 4.09Å; L61-L94 HydrophobicContact CD1-CD1 4.36Å; T75-L94 HydrophobicContact CG2-CB 4.16Å; T75-L94 HydrophobicContact CG2-CD1 4.25Å; L78-L94 HydrophobicContact CD2-CD1 4.12Å; L94-L96 PolarHBondContact O-N 3.21Å; L94-L96 VanDerWaalsContact O-N 3.16Å; L94-A97 HydrophobicContact CD1-CB 4.25Å; L94-A97 WeakPolarHBondContact O-CB 3.34Å; L94-A97 PolarHBondContact O-N 3.22Å; L94-S98 PolarHBondContact O-N 3.46Å
95M91.8Very high92.8Very high126 Ų12654.5 Ų54.562%0.62128%0.28SS*.Hα-helixtrans-62.6-22.3176.4-65.2-141.8-69.200113.3S93 A97 S98 K99S93-M95 PolarHBondContact O-N 3.14Å; S93-M95 WeakPolarHBondContact OG-CB 3.46Å; S93-M95 PolarHBondContact OG-N 2.83Å; M95-A97 VanDerWaalsContact C-N 3.35Å; M95-S98 PolarHBondContact O-OG 2.8Å; M95-K99 WeakPolarHBondContact O-CG 3.49Å
96L92.4Very high92.8Very high49 Ų4951.1 Ų51.126%0.25726%0.262SS..Hα-helixtrans-74.2-31.3174.8-63.5172.9000111.3I88 T90 S93 L94 K99 V100I88-L96 HydrophobicContact CD1-CB 4Å; I88-L96 HydrophobicContact CG1-CB 4.25Å; I88-L96 HydrophobicContact CG2-CB 3.51Å; I88-L96 HydrophobicContact CG2-CD1 3.54Å; I88-L96 HydrophobicContact CG2-CG 4.13Å; T90-L96 VanDerWaalsContact OG1-CD1 3.26Å; T90-L96 WeakPolarHBondContact OG1-CD1 3.48Å; S93-L96 PolarHBondContact O-N 3.16Å; S93-L96 VanDerWaalsContact O-N 3.16Å; L94-L96 PolarHBondContact O-N 3.21Å; L94-L96 VanDerWaalsContact O-N 3.16Å; L96-K99 PolarHBondContact O-N 3.15Å; L96-V100 PolarHBondContact O-N 3.33Å
97A92.4Very high92.8Very high0 Ų055.9 Ų55.90%027%0.274CS..Hα-helixtrans-66.5-38.3175.900000111.9A58 L78 L82 I88 L94 M95 K99 V100A58-A97 HydrophobicContact CB-CB 3.99Å; L78-A97 HydrophobicContact CD2-CB 4.37Å; L82-A97 HydrophobicContact CD1-CB 3.7Å; I88-A97 HydrophobicContact CD1-CB 4.03Å; L94-A97 HydrophobicContact CD1-CB 4.25Å; L94-A97 WeakPolarHBondContact O-CB 3.34Å; L94-A97 PolarHBondContact O-N 3.22Å; M95-A97 VanDerWaalsContact C-N 3.35Å; A97-K99 PolarHBondContact O-N 3.36Å; A97-V100 WeakPolarHBondContact O-CB 3.3Å; A97-V100 WeakPolarHBondContact O-CG2 3.31Å; A97-V100 PolarHBondContact O-N 3.38Å
98S92.2Very high92.9Very high48 Ų4856 Ų5634%0.33627%0.273SS..Hα-helixtrans-68.1-20.2175.765.90000113.4R55 L94 M95R55-S98 WeakPolarHBondContact CD-O 3.49Å; R55-S98 WeakPolarHBondContact CG-O 3.4Å; L94-S98 PolarHBondContact O-N 3.46Å; M95-S98 PolarHBondContact O-OG 2.8Å
99K93.6Very high92.9Very high145 Ų14555.9 Ų55.963%0.6327%0.272SS*.THydrogen-bonded Turntrans-91.3-1.6177.1-67.7178.9-176.9-178.20114.1M95 L96 A97 N101M95-K99 WeakPolarHBondContact O-CG 3.49Å; L96-K99 PolarHBondContact O-N 3.15Å; A97-K99 PolarHBondContact O-N 3.36Å; K99-N101 PolarHBondContact O-N 3.19Å
100V94.4Very high93.1Very high3 Ų351.7 Ų51.72%0.01825%0.245CC..  trans-64.8128.1178.7176.60000110I54 R55 I88 L96 A97 F105I54-V100 HydrophobicContact CD1-CG1 4.4Å; I54-V100 HydrophobicContact CG2-CB 4.41Å; R55-V100 WeakPolarHBondContact CD-O 3.46Å; I88-V100 HydrophobicContact CD1-CG2 4.09Å; I88-V100 HydrophobicContact CG1-CG2 3.88Å; L96-V100 PolarHBondContact O-N 3.33Å; A97-V100 WeakPolarHBondContact O-CB 3.3Å; A97-V100 WeakPolarHBondContact O-CG2 3.31Å; A97-V100 PolarHBondContact O-N 3.38Å; V100-F105 HydrophobicContact CG1-CE2 4.12Å
101N94Very high93.2Very high74 Ų7448.5 Ų48.540%0.39623%0.226SC..  trans-125.5171.1179.261.412.6000111.2K99 S103 S104K99-N101 PolarHBondContact O-N 3.19Å; N101-S103 PolarHBondContact O-N 3.21Å; N101-S103 PolarHBondContact OD1-N 3.22Å; N101-S104 WeakPolarHBondContact O-CB 3.47Å; N101-S104 PolarHBondContact O-N 2.92Å; N101-S104 PolarHBondContact OD1-N 3.37Å; N101-S104 PolarHBondContact OD1-OG 3.24Å
102A94.4Very high93.5Very high1 Ų145.3 Ų45.31%0.00821%0.213CC..Hα-helixtrans-58.8-35176.800000113Y44 N48 S104 F105 C106Y44-A102 HydrophobicContact CD2-CB 4.12Å; Y44-A102 HydrophobicContact CE2-CB 3.6Å; N48-A102 WeakPolarHBondContact OD1-CB 3.21Å; A102-S104 PolarHBondContact O-N 2.65Å; A102-S104 VanDerWaalsContact O-N 3.16Å; A102-F105 WeakPolarHBondContact O-CB 3.48Å; A102-F105 PolarHBondContact O-N 2.94Å; A102-C106 PolarHBondContact O-N 3.23Å; A102-C106 PolarHBondContact O-SG 3.04Å
103S94.4Very high94Very high18 Ų1833.8 Ų33.813%0.12617%0.17CC..Hα-helixtrans-59.7-26175.6-54.10000113N101 C106 R107N101-S103 PolarHBondContact O-N 3.21Å; N101-S103 PolarHBondContact OD1-N 3.22Å; S103-C106 PolarHBondContact O-N 3.31Å; S103-R107 VanDerWaalsContact O-CG 3.31Å; S103-R107 WeakPolarHBondContact O-CG 3.4Å; S103-R107 PolarHBondContact O-N 2.74Å; S103-R107 PolarHBondContact O-NE 3.29Å
104S95Very high94.4Very high8 Ų831.8 Ų31.86%0.05616%0.156CC..Hα-helixtrans-69.3-37175.2-58.90000111.8N101 A102 R107N101-S104 WeakPolarHBondContact O-CB 3.47Å; N101-S104 PolarHBondContact O-N 2.92Å; N101-S104 PolarHBondContact OD1-N 3.37Å; N101-S104 PolarHBondContact OD1-OG 3.24Å; A102-S104 PolarHBondContact O-N 2.65Å; A102-S104 VanDerWaalsContact O-N 3.16Å; S104-R107 PolarHBondContact OG-NH2 3.24Å; S104-R107 VanDerWaalsContact OG-NH2 3.12Å
105F96.2Very high94.7Very high15 Ų1534.1 Ų34.17%0.06617%0.167CC..Hα-helixtrans-69.3-42.7170.3-72.3-86.4000111.8Y47 L50 I54 L87 V100 A102 R107 R108 R109 L148Y47-F105 HydrophobicContact CD1-CB 3.67Å; Y47-F105 HydrophobicContact CD1-CD1 4.21Å; Y47-F105 AromaticContact CD1-CG 3.97Å; Y47-F105 HydrophobicContact CD1-CG 3.97Å; Y47-F105 HydrophobicContact CD2-CB 4.08Å; Y47-F105 HydrophobicContact CE1-CB 4.12Å; Y47-F105 HydrophobicContact CE2-CB 4.48Å; Y47-F105 HydrophobicContact CG-CB 3.66Å; Y47-F105 HydrophobicContact CG-CG 4.23Å; L50-F105 HydrophobicContact CB-CE2 4.36Å; L50-F105 HydrophobicContact CB-CZ 4.15Å; I54-F105 HydrophobicContact CD1-CE2 4.07Å; I54-F105 HydrophobicContact CD1-CZ 3.65Å; L87-F105 HydrophobicContact CD1-CD1 4.31Å; L87-F105 HydrophobicContact CD1-CE1 3.61Å; L87-F105 HydrophobicContact CD1-CE2 4.06Å; L87-F105 HydrophobicContact CD1-CZ 3.47Å; L87-F105 VanDerWaalsContact CD1-CZ 3.47Å; L87-F105 HydrophobicContact CD2-CD1 3.78Å; L87-F105 HydrophobicContact CD2-CD2 4.16Å; L87-F105 HydrophobicContact CD2-CE1 3.96Å; L87-F105 HydrophobicContact CD2-CE2 4.31Å; L87-F105 HydrophobicContact CD2-CG 3.9Å; L87-F105 HydrophobicContact CD2-CZ 4.22Å; L87-F105 HydrophobicContact CG-CE1 4.41Å; V100-F105 HydrophobicContact CG1-CE2 4.12Å; A102-F105 WeakPolarHBondContact O-CB 3.48Å; A102-F105 PolarHBondContact O-N 2.94Å; F105-R107 VanDerWaalsContact C-N 3.25Å; F105-R107 PolarHBondContact O-N 3.46Å; F105-R108 WeakPolarHBondContact O-CA 3.39Å; F105-R108 PolarHBondContact O-N 3.34Å; F105-R109 PolarHBondContact O-N 3.22Å; F105-L148 HydrophobicContact CD1-CD1 4.14Å; F105-L148 WeakPolarHBondContact O-CD2 3.22Å
106C95.5Very high94.9Very high0 Ų033.8 Ų33.80%016%0.159CC..Hα-helixtrans-59-39.9-180-57.60000111.4F36 I38 A102 S103 R108 R109 V112F36-C106 HydrophobicContact CB-CB 4.2Å; F36-C106 HydrophobicContact CD1-CB 4.46Å; F36-C106 HydrophobicContact CD2-CB 3.38Å; F36-C106 HydrophobicContact CE2-CB 3.77Å; F36-C106 HydrophobicContact CG-CB 3.77Å; F36-C106 HydrophobicContact CZ-CB 4.47Å; I38-C106 HydrophobicContact CD1-CB 4.29Å; I38-C106 WeakPolarHBondContact CD1-SG 3.02Å; A102-C106 PolarHBondContact O-N 3.23Å; A102-C106 PolarHBondContact O-SG 3.04Å; S103-C106 PolarHBondContact O-N 3.31Å; C106-R108 PolarHBondContact O-N 3.35Å; C106-R109 WeakPolarHBondContact O-CB 3.3Å; C106-R109 PolarHBondContact O-N 3.16Å; C106-R109 VanDerWaalsContact O-N 3.17Å; C106-V112 VanDerWaalsContact O-CG2 3.3Å; C106-V112 WeakPolarHBondContact O-CG2 3.24Å
107R95.2Very high94.9Very high120 Ų12034.1 Ų34.145%0.45317%0.165SC..THydrogen-bonded Turntrans-65.7-16.2174.9-74.2-177.3-65.91702.2114.8F36 S103 S104 F105F36-R107 HydrophobicContact CE1-CG 3.66Å; F36-R107 HydrophobicContact CZ-CG 3.67Å; S103-R107 VanDerWaalsContact O-CG 3.31Å; S103-R107 WeakPolarHBondContact O-CG 3.4Å; S103-R107 PolarHBondContact O-N 2.74Å; S103-R107 PolarHBondContact O-NE 3.29Å; S104-R107 PolarHBondContact OG-NH2 3.24Å; S104-R107 VanDerWaalsContact OG-NH2 3.12Å; F105-R107 VanDerWaalsContact C-N 3.25Å; F105-R107 PolarHBondContact O-N 3.46Å
108R95.9Very high95Very high13 Ų1343.3 Ų43.35%0.04921%0.205CC..THydrogen-bonded Turntrans-97.41176.1-64.7-53.4-59.7175.211.4113.4L85 G86 L87 F105 C106 I113 R116 L148 V149 T150 E154L85-R108 PolarHBondContact O-NE 2.97Å; G86-R108 WeakPolarHBondContact O-CD 3.05Å; L87-R108 HydrophobicContact CD2-CG 4.24Å; F105-R108 WeakPolarHBondContact O-CA 3.39Å; F105-R108 PolarHBondContact O-N 3.34Å; C106-R108 PolarHBondContact O-N 3.35Å; R108-I113 WeakPolarHBondContact O-CD1 3.44Å; R108-R116 VanDerWaalsContact NH1-NH2 3.17Å; R108-L148 HydrophobicContact CB-CD2 4Å; R108-L148 WeakPolarHBondContact O-CA 3.2Å; R108-V149 VanDerWaalsContact CZ-O 3.31Å; R108-V149 PolarHBondContact NE-O 3Å; R108-V149 PolarHBondContact NH2-O 3.47Å; R108-V149 PolarHBondContact O-N 3.34Å; R108-T150 VanDerWaalsContact NH2-C 3.28Å; R108-T150 PolarHBondContact NH2-O 3.44Å; R108-E154 IonicContact CZ-OE2 3.73Å; R108-E154 VanDerWaalsContact CZ-OE2 3.31Å; R108-E154 IonicContact NH1-OE2 3.17Å; R108-E154 PolarHBondContact NH1-OE2 3.04Å; R108-E154 IonicContact NH2-OE2 2.65Å; R108-E154 PolarHBondContact NH2-OE2 3.02Å
109R95.9Very high95.1Very high4 Ų442.8 Ų42.82%0.01520%0.198CC..BIsolated β-bridgetrans-65.3144.6170.8-69.7178.279.4127.4-5.1110.2D43 Y47 F105 C106 S111 V112 I113 P145 A146 Y147 L148D43-R109 IonicContact OD2-CZ 3.26Å; D43-R109 IonicContact OD2-NH1 2.71Å; D43-R109 PolarHBondContact OD2-NH1 2.81Å; D43-R109 IonicContact OD2-NH2 3.6Å; D43-R109 PolarHBondContact OD2-NH2 3.23Å; D43-R109 VanDerWaalsContact OD2-NH2 3.14Å; Y47-R109 PolarHBondContact OH-NH1 2.88Å; F105-R109 PolarHBondContact O-N 3.22Å; C106-R109 WeakPolarHBondContact O-CB 3.3Å; C106-R109 PolarHBondContact O-N 3.16Å; C106-R109 VanDerWaalsContact O-N 3.17Å; R109-S111 VanDerWaalsContact C-N 3.28Å; R109-S111 PolarHBondContact O-N 3.17Å; R109-V112 HydrophobicContact CB-CG2 4.45Å; R109-V112 PolarHBondContact O-N 3.45Å; R109-V112 VanDerWaalsContact O-N 3.07Å; R109-I113 PolarHBondContact O-N 3.33Å; R109-I113 VanDerWaalsContact O-N 3.11Å; R109-P145 PolarHBondContact NE-O 3.06Å; R109-A146 VanDerWaalsContact NH2-CA 3.3Å; R109-Y147 CarbonylContact C-O 3.55Å; R109-Y147 WeakPolarHBondContact CA-O 3.43Å; R109-L148 HydrophobicContact CG-CD2 4.2Å
110L96.1Very high95.2Very high0 Ų036.2 Ų36.20%017%0.17CC..Hα-helixtrans-53.5-44.8-179179.659.9000111.9V112 I113 V114 V130 V135 V137 I142 Y147 V149 I157L110-V112 VanDerWaalsContact C-N 3.3Å; L110-V112 PolarHBondContact O-N 2.82Å; L110-I113 PolarHBondContact O-N 3.15Å; L110-I113 VanDerWaalsContact O-N 3.13Å; L110-V114 HydrophobicContact CD1-CG2 3.94Å; L110-V114 HydrophobicContact CG-CG2 4.18Å; L110-V114 WeakPolarHBondContact O-CB 3.46Å; L110-V114 VanDerWaalsContact O-CG2 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.39Å; L110-V114 PolarHBondContact O-N 3.4Å; L110-V130 HydrophobicContact CD2-CG1 3.86Å; L110-V130 HydrophobicContact CD2-CG2 4.04Å; L110-V130 HydrophobicContact CG-CG2 4.09Å; L110-V135 HydrophobicContact CD1-CG1 4.25Å; L110-V135 HydrophobicContact CD2-CG1 4.41Å; L110-V137 HydrophobicContact CD1-CG2 3.71Å; L110-V137 HydrophobicContact CD2-CG2 4.2Å; L110-I142 HydrophobicContact CD2-CB 3.8Å; L110-I142 HydrophobicContact CD2-CD1 4.38Å; L110-I142 HydrophobicContact CD2-CG2 3.64Å; L110-Y147 HydrophobicContact CB-CD1 4.41Å; L110-Y147 WeakPolarHBondContact CB-O 3.36Å; L110-Y147 PolarHBondContact N-O 3.07Å; L110-V149 HydrophobicContact CB-CG2 4.01Å; L110-V149 HydrophobicContact CD1-CG2 3.69Å; L110-V149 HydrophobicContact CG-CG2 4.46Å; L110-I157 HydrophobicContact CD1-CD1 4.07Å; L110-I157 HydrophobicContact CD1-CG1 4.37Å; L110-I157 HydrophobicContact CD1-CG2 4.4Å
111S95.8Very high95.3Very high1 Ų144.8 Ų44.81%0.00721%0.21CC..Hα-helixtrans-58.8-39.8179.256.50000113.2R109 M115 A126R109-S111 VanDerWaalsContact C-N 3.28Å; R109-S111 PolarHBondContact O-N 3.17Å; S111-M115 PolarHBondContact O-N 2.85Å; S111-M115 VanDerWaalsContact O-N 3.15Å; S111-A126 WeakPolarHBondContact O-CB 3.08Å
112V96.5Very high95.4Very high14 Ų1444.8 Ų44.89%0.08521%0.213CC..Hα-helixtrans-70.4-38.4178-178.80000110.9F36 C106 R109 L110 M115 R116 M123F36-V112 HydrophobicContact CB-CG2 4.27Å; F36-V112 HydrophobicContact CD1-CG1 4.4Å; F36-V112 HydrophobicContact CD1-CG2 3.72Å; F36-V112 HydrophobicContact CG-CG2 4.38Å; C106-V112 VanDerWaalsContact O-CG2 3.3Å; C106-V112 WeakPolarHBondContact O-CG2 3.24Å; R109-V112 HydrophobicContact CB-CG2 4.45Å; R109-V112 PolarHBondContact O-N 3.45Å; R109-V112 VanDerWaalsContact O-N 3.07Å; L110-V112 VanDerWaalsContact C-N 3.3Å; L110-V112 PolarHBondContact O-N 2.82Å; V112-M115 PolarHBondContact O-N 3.31Å; V112-R116 WeakPolarHBondContact O-CB 3.23Å; V112-R116 PolarHBondContact O-N 3.08Å; V112-M123 HydrophobicContact CB-CE 4.28Å; V112-M123 HydrophobicContact CB-SD 4.43Å; V112-M123 HydrophobicContact CG2-CE 3.47Å; V112-M123 VanDerWaalsContact CG2-CE 3.47Å; V112-M123 HydrophobicContact CG2-SD 4.06Å
113I96.2Very high95.4Very high0 Ų046.2 Ų46.20%022%0.22CC..Hα-helixtrans-70.4-42.2179.8-65.4169.9000110.7R108 R109 L110 M115 R116 S117 V149 E154 I157R108-I113 WeakPolarHBondContact O-CD1 3.44Å; R109-I113 PolarHBondContact O-N 3.33Å; R109-I113 VanDerWaalsContact O-N 3.11Å; L110-I113 PolarHBondContact O-N 3.15Å; L110-I113 VanDerWaalsContact O-N 3.13Å; I113-M115 VanDerWaalsContact C-N 3.27Å; I113-M115 PolarHBondContact O-N 3.13Å; I113-R116 CarbonylContact O-C 3.59Å; I113-R116 PolarHBondContact O-N 2.88Å; I113-R116 VanDerWaalsContact O-N 3.08Å; I113-S117 WeakPolarHBondContact O-CB 3.47Å; I113-S117 PolarHBondContact O-N 2.97Å; I113-S117 PolarHBondContact O-OG 3.4Å; I113-V149 HydrophobicContact CD1-CB 3.49Å; I113-V149 VanDerWaalsContact CD1-CB 3.49Å; I113-V149 HydrophobicContact CD1-CG1 4.29Å; I113-V149 HydrophobicContact CD1-CG2 3.79Å; I113-E154 HydrophobicContact CG2-CG 3.87Å; I113-I157 HydrophobicContact CB-CD1 4.2Å; I113-I157 HydrophobicContact CG2-CD1 3.32Å
114V96Very high95.4Very high0 Ų052 Ų520%024%0.243CC..Hα-helixtrans-55.8-43.2173.1169.50000110.9L110 M119 A120 A126 V130 V135 I157L110-V114 HydrophobicContact CD1-CG2 3.94Å; L110-V114 HydrophobicContact CG-CG2 4.18Å; L110-V114 WeakPolarHBondContact O-CB 3.46Å; L110-V114 VanDerWaalsContact O-CG2 3.23Å; L110-V114 WeakPolarHBondContact O-CG2 3.39Å; L110-V114 PolarHBondContact O-N 3.4Å; V114-M119 HydrophobicContact CG1-CB 3.75Å; V114-M119 WeakPolarHBondContact O-CB 3.43Å; V114-M119 PolarHBondContact O-N 3.2Å; V114-A120 HydrophobicContact CG1-CB 4.07Å; V114-A126 HydrophobicContact CG1-CB 4.23Å; V114-V130 HydrophobicContact CG2-CG2 4.45Å; V114-V135 HydrophobicContact CG1-CG2 4.48Å; V114-V135 HydrophobicContact CG2-CG1 3.93Å; V114-V135 HydrophobicContact CG2-CG2 4.23Å; V114-I157 HydrophobicContact CG2-CG2 4.16Å
115M95.3Very high95.5Very high78 Ų7852.9 Ų52.938%0.38425%0.251SS..Hα-helixtrans-67-42.1175.2-174.2-108.8164.100112.1S111 V112 I113 S117 K118 M123 A126S111-M115 PolarHBondContact O-N 2.85Å; S111-M115 VanDerWaalsContact O-N 3.15Å; V112-M115 PolarHBondContact O-N 3.31Å; I113-M115 VanDerWaalsContact C-N 3.27Å; I113-M115 PolarHBondContact O-N 3.13Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 3.28Å; M115-K118 PolarHBondContact O-N 3.32Å; M115-K118 VanDerWaalsContact O-N 3.07Å; M115-M123 HydrophobicContact CB-SD 3.88Å; M115-M123 HydrophobicContact CG-SD 4.09Å; M115-M123 HydrophobicContact SD-SD 4.1Å; M115-A126 HydrophobicContact CB-CB 4.29Å
116R94.7Very high95.5Very high119 Ų11952.2 Ų52.245%0.44925%0.248SC..Hα-helixtrans-64.4-36.4177.5-172.9172.669.9-154.90.5112.8R108 V112 I113 K118 E154R108-R116 VanDerWaalsContact NH1-NH2 3.17Å; V112-R116 WeakPolarHBondContact O-CB 3.23Å; V112-R116 PolarHBondContact O-N 3.08Å; I113-R116 CarbonylContact O-C 3.59Å; I113-R116 PolarHBondContact O-N 2.88Å; I113-R116 VanDerWaalsContact O-N 3.08Å; R116-K118 PolarHBondContact O-N 3.11Å; R116-E154 IonicContact CZ-OE1 3.24Å; R116-E154 IonicContact NE-OE1 3.04Å; R116-E154 IonicContact NH2-OE1 3.35Å; R116-E154 PolarHBondContact NH2-OE1 2.93Å; R116-E154 IonicContact NH2-OE2 2.92Å; R116-E154 PolarHBondContact NH2-OE2 3.2Å; R116-E154 VanDerWaalsContact NH2-OE2 3.11Å
117S94.2Very high95.6Very high56 Ų5652.3 Ų52.339%0.39225%0.248SC..THydrogen-bonded Turntrans-76.28174.6-59.10000113.2I113 M115 M119I113-S117 WeakPolarHBondContact O-CB 3.47Å; I113-S117 PolarHBondContact O-N 2.97Å; I113-S117 PolarHBondContact O-OG 3.4Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 3.28Å; S117-M119 PolarHBondContact O-N 2.89Å; S117-M119 VanDerWaalsContact O-N 3.17Å
118K94.7Very high95.6Very high193 Ų19348.9 Ų48.984%0.83924%0.241SC*.THydrogen-bonded Turntrans5921-179.4-55.9-177.3178.2-179.80114.7M115 R116 A120M115-K118 PolarHBondContact O-N 3.32Å; M115-K118 VanDerWaalsContact O-N 3.07Å; R116-K118 PolarHBondContact O-N 3.11Å; K118-A120 VanDerWaalsContact C-N 3.3Å
119M94.4Very high95.6Very high36 Ų3650.7 Ų50.718%0.17725%0.249CC..SBendtrans-76.2-22.7173.2-66.8177.870.100112.1V114 S117 I157 W159V114-M119 HydrophobicContact CG1-CB 3.75Å; V114-M119 WeakPolarHBondContact O-CB 3.43Å; V114-M119 PolarHBondContact O-N 3.2Å; S117-M119 PolarHBondContact O-N 2.89Å; S117-M119 VanDerWaalsContact O-N 3.17Å; M119-I157 HydrophobicContact SD-CG2 3.84Å; M119-W159 HydrophobicContact CB-CH2 4.31Å; M119-W159 HydrophobicContact CB-CZ2 3.86Å; M119-W159 HydrophobicContact CE-CD2 3.57Å; M119-W159 VanDerWaalsContact CE-CE2 3.49Å; M119-W159 HydrophobicContact CE-CE3 3.97Å; M119-W159 HydrophobicContact CE-CG 3.99Å; M119-W159 HydrophobicContact CE-CH2 4.22Å; M119-W159 HydrophobicContact CE-CZ2 3.85Å; M119-W159 HydrophobicContact CE-CZ3 4.27Å; M119-W159 VanDerWaalsContact O-CZ2 3.31Å; M119-W159 WeakPolarHBondContact O-CZ2 2.79Å
120A95.3Very high95.7Very high7 Ų750.5 Ų50.56%0.05825%0.248CC..  trans-135.4141.4175.500000110.2V114 K118 A126 F129V114-A120 HydrophobicContact CG1-CB 4.07Å; K118-A120 VanDerWaalsContact C-N 3.3Å; A120-A126 HydrophobicContact CB-CB 3.66Å; A120-F129 HydrophobicContact CB-CD2 3.98Å; A120-F129 HydrophobicContact CB-CE2 4Å
121E94.8Very high95.7Very high184 Ų18454.6 Ų54.686%0.8627%0.267SS*.SBendtrans-75.4-35.4-178.2-62178.3171.500112.7
122T96.2Very high95.7Very high74 Ų7460.1 Ų60.145%0.45429%0.293SS..SBendtrans-129.2153.3-176.267.50000111.5K124 A125 A126T122-K124 PolarHBondContact O-N 3.17Å; T122-A125 PolarHBondContact O-N 2.92Å; T122-A125 WeakPolarHBondContact OG1-CB 3.32Å; T122-A125 PolarHBondContact OG1-N 3.46Å; T122-A126 PolarHBondContact O-N 2.91Å
123M94.8Very high95.6Very high30 Ų3060.2 Ų60.215%0.14830%0.297CS..Hα-helixtrans-58.1-37176-77.8-57-52.300112.7F36 H37 V112 M115 A126 V127F36-M123 WeakPolarHBondContact O-CE 3.45Å; H37-M123 HydrophobicContact CB-CB 4.19Å; V112-M123 HydrophobicContact CB-CE 4.28Å; V112-M123 HydrophobicContact CB-SD 4.43Å; V112-M123 HydrophobicContact CG2-CE 3.47Å; V112-M123 VanDerWaalsContact CG2-CE 3.47Å; V112-M123 HydrophobicContact CG2-SD 4.06Å; M115-M123 HydrophobicContact CB-SD 3.88Å; M115-M123 HydrophobicContact CG-SD 4.09Å; M115-M123 HydrophobicContact SD-SD 4.1Å; M123-A126 PolarHBondContact O-N 3.24Å; M123-V127 WeakPolarHBondContact O-CG2 3.32Å; M123-V127 PolarHBondContact O-N 3.16Å; M123-V127 VanDerWaalsContact O-N 3.09Å
124K95.5Very high95.6Very high141 Ų14161.9 Ų61.961%0.61331%0.305SS*.Hα-helixtrans-65-47.3177.1-175.4175.8176.4-179.60111T122 A126 V127 T128T122-K124 PolarHBondContact O-N 3.17Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.42Å; K124-V127 PolarHBondContact O-N 2.97Å; K124-T128 PolarHBondContact O-N 3.3Å; K124-T128 PolarHBondContact O-OG1 2.92Å; K124-T128 VanDerWaalsContact O-OG1 3.04Å
125A96.1Very high95.7Very high26 Ų2661.9 Ų61.922%0.21531%0.305CS..Hα-helixtrans-61.6-42176.600000111.8T122 V127 T128 F129T122-A125 PolarHBondContact O-N 2.92Å; T122-A125 WeakPolarHBondContact OG1-CB 3.32Å; T122-A125 PolarHBondContact OG1-N 3.46Å; A125-V127 VanDerWaalsContact C-N 3.32Å; A125-V127 PolarHBondContact O-N 3.05Å; A125-T128 PolarHBondContact O-N 3.47Å; A125-F129 HydrophobicContact CB-CE2 4.26Å; A125-F129 HydrophobicContact CB-CZ 4.29Å; A125-F129 WeakPolarHBondContact O-CD2 3.36Å; A125-F129 WeakPolarHBondContact O-CG 3.41Å; A125-F129 PolarHBondContact O-N 2.82Å
126A96.7Very high95.7Very high0 Ų061.3 Ų61.30%030%0.298CS..Hα-helixtrans-58.1-44.3177.200000112.1S111 V114 M115 A120 T122 M123 K124 F129 V130S111-A126 WeakPolarHBondContact O-CB 3.08Å; V114-A126 HydrophobicContact CG1-CB 4.23Å; M115-A126 HydrophobicContact CB-CB 4.29Å; A120-A126 HydrophobicContact CB-CB 3.66Å; T122-A126 PolarHBondContact O-N 2.91Å; M123-A126 PolarHBondContact O-N 3.24Å; K124-A126 VanDerWaalsContact C-N 3.33Å; K124-A126 PolarHBondContact O-N 3.42Å; A126-F129 PolarHBondContact O-N 2.85Å; A126-V130 VanDerWaalsContact O-CG2 3.32Å; A126-V130 WeakPolarHBondContact O-CG2 3.41Å; A126-V130 PolarHBondContact O-N 3.29Å
127V96.5Very high95.7Very high3 Ų355.7 Ų55.72%0.01828%0.277CS..Hα-helixtrans-63.5-47.4175.7170.50000110.9H37 M123 K124 A125 F129 V130 E131 P145H37-V127 HydrophobicContact CB-CG2 4.36Å; M123-V127 WeakPolarHBondContact O-CG2 3.32Å; M123-V127 PolarHBondContact O-N 3.16Å; M123-V127 VanDerWaalsContact O-N 3.09Å; K124-V127 PolarHBondContact O-N 2.97Å; A125-V127 VanDerWaalsContact C-N 3.32Å; A125-V127 PolarHBondContact O-N 3.05Å; V127-F129 VanDerWaalsContact C-N 3.33Å; V127-F129 PolarHBondContact O-N 3.33Å; V127-V130 PolarHBondContact O-N 3.13Å; V127-E131 HydrophobicContact CG1-CG 4.24Å; V127-E131 WeakPolarHBondContact O-CG 3.48Å; V127-E131 PolarHBondContact O-N 3.37Å; V127-P145 HydrophobicContact CG1-CB 4.18Å; V127-P145 HydrophobicContact CG1-CG 4.16Å; V127-P145 HydrophobicContact CG2-CB 4.2Å
128T96.4Very high95.7Very high47 Ų4753.9 Ų53.929%0.28827%0.267SS..Hα-helixtrans-59.6-41.1178.8-55.20000112.6K124 A125 E131 Q132K124-T128 PolarHBondContact O-N 3.3Å; K124-T128 PolarHBondContact O-OG1 2.92Å; K124-T128 VanDerWaalsContact O-OG1 3.04Å; A125-T128 PolarHBondContact O-N 3.47Å; T128-E131 PolarHBondContact O-N 2.67Å; T128-Q132 HydrophobicContact CG2-CG 4.4Å; T128-Q132 WeakPolarHBondContact O-CB 3.29Å; T128-Q132 VanDerWaalsContact O-CG 3.22Å; T128-Q132 WeakPolarHBondContact O-CG 3.39Å; T128-Q132 PolarHBondContact O-N 3.47Å
129F96.7Very high95.6Very high52 Ų5249.5 Ų49.523%0.22826%0.259CS..Hα-helixtrans-65.9-38178-63.9-22.5000112.9A120 A125 A126 V127 G133 H134 V135 W159 I165A120-F129 HydrophobicContact CB-CD2 3.98Å; A120-F129 HydrophobicContact CB-CE2 4Å; A125-F129 HydrophobicContact CB-CE2 4.26Å; A125-F129 HydrophobicContact CB-CZ 4.29Å; A125-F129 WeakPolarHBondContact O-CD2 3.36Å; A125-F129 WeakPolarHBondContact O-CG 3.41Å; A125-F129 PolarHBondContact O-N 2.82Å; A126-F129 PolarHBondContact O-N 2.85Å; V127-F129 VanDerWaalsContact C-N 3.33Å; V127-F129 PolarHBondContact O-N 3.33Å; F129-G133 PolarHBondContact O-N 3.06Å; F129-H134 WeakPolarHBondContact O-CB 3.41Å; F129-H134 PolarHBondContact O-N 2.82Å; F129-V135 HydrophobicContact CB-CG2 4.47Å; F129-W159 HydrophobicContact CB-CZ3 4.23Å; F129-W159 AromaticContact CD2-CH2 3.73Å; F129-W159 HydrophobicContact CD2-CH2 3.73Å; F129-W159 HydrophobicContact CD2-CZ3 4.2Å; F129-W159 HydrophobicContact CE2-CH2 4.18Å; F129-W159 HydrophobicContact CG-CH2 4.35Å; F129-W159 HydrophobicContact CG-CZ3 4.38Å; F129-I165 HydrophobicContact CB-CD1 4.33Å; F129-I165 HydrophobicContact CD1-CD1 3.4Å; F129-I165 HydrophobicContact CD2-CD1 4.17Å; F129-I165 HydrophobicContact CE1-CD1 3.59Å; F129-I165 HydrophobicContact CE2-CD1 4.31Å; F129-I165 HydrophobicContact CG-CD1 3.72Å; F129-I165 HydrophobicContact CZ-CD1 4.04Å
130V96.4Very high95.7Very high0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-67.5-48.3175.2174.30000110.1L110 V114 A126 V127 Q132 G133 V135 R143 P145L110-V130 HydrophobicContact CD2-CG1 3.86Å; L110-V130 HydrophobicContact CD2-CG2 4.04Å; L110-V130 HydrophobicContact CG-CG2 4.09Å; V114-V130 HydrophobicContact CG2-CG2 4.45Å; A126-V130 VanDerWaalsContact O-CG2 3.32Å; A126-V130 WeakPolarHBondContact O-CG2 3.41Å; A126-V130 PolarHBondContact O-N 3.29Å; V127-V130 PolarHBondContact O-N 3.13Å; V130-Q132 VanDerWaalsContact C-N 3.3Å; V130-Q132 PolarHBondContact O-N 3.21Å; V130-G133 WeakPolarHBondContact O-CA 3.45Å; V130-G133 PolarHBondContact O-N 2.78Å; V130-V135 HydrophobicContact CG2-CB 4.1Å; V130-V135 HydrophobicContact CG2-CG2 3.87Å; V130-R143 WeakPolarHBondContact O-CA 3.23Å; V130-P145 HydrophobicContact CG1-CB 4.35Å
131E96.1Very high95.7Very high86 Ų8657.4 Ų57.440%0.40230%0.299SS..Hα-helixtrans-60.2-38.1179.9-71.7179.1145.700113Q39 V127 T128 G133 P145Q39-E131 PolarHBondContact NE2-OE1 3.4Å; V127-E131 HydrophobicContact CG1-CG 4.24Å; V127-E131 WeakPolarHBondContact O-CG 3.48Å; V127-E131 PolarHBondContact O-N 3.37Å; T128-E131 PolarHBondContact O-N 2.67Å; E131-G133 PolarHBondContact O-N 3.47Å; E131-P145 HydrophobicContact CG-CG 4.39Å
132Q96Very high95.7Very high116 Ų11649.6 Ų49.654%0.54226%0.263SS..THydrogen-bonded Turntrans-70.6-10.7174.8-71.8173.2-1100113.2T128 V130 H134T128-Q132 HydrophobicContact CG2-CG 4.4Å; T128-Q132 WeakPolarHBondContact O-CB 3.29Å; T128-Q132 VanDerWaalsContact O-CG 3.22Å; T128-Q132 WeakPolarHBondContact O-CG 3.39Å; T128-Q132 PolarHBondContact O-N 3.47Å; V130-Q132 VanDerWaalsContact C-N 3.3Å; V130-Q132 PolarHBondContact O-N 3.21Å; Q132-H134 PolarHBondContact OE1-CD2 3.03Å; Q132-H134 PolarHBondContact OE1-NE2 3.39Å
133G95.1Very high95.7Very high16 Ų1655 Ų5517%0.16528%0.275CS..THydrogen-bonded Turntrans78.829.9179.600000113.9F129 V130 E131 I141F129-G133 PolarHBondContact O-N 3.06Å; V130-G133 WeakPolarHBondContact O-CA 3.45Å; V130-G133 PolarHBondContact O-N 2.78Å; E131-G133 PolarHBondContact O-N 3.47Å; G133-I141 WeakPolarHBondContact O-CG2 3.37Å
134H96.4Very high95.8Very high36 Ų3657.8 Ų57.817%0.16729%0.291CS..  trans-82.2-22175.7-70.5-57000113.3F129 Q132 W159 G160 S163 I165F129-H134 WeakPolarHBondContact O-CB 3.41Å; F129-H134 PolarHBondContact O-N 2.82Å; Q132-H134 PolarHBondContact OE1-CD2 3.03Å; Q132-H134 PolarHBondContact OE1-NE2 3.39Å; H134-W159 HydrophobicContact CB-CE3 3.99Å; H134-W159 HydrophobicContact CB-CZ3 3.97Å; H134-W159 CarbonylContact O-C 3.6Å; H134-W159 WeakPolarHBondContact O-CA 3.49Å; H134-G160 PolarHBondContact O-N 2.84Å; H134-S163 PolarHBondContact ND1-OG 3.11Å; H134-I165 HydrophobicContact CB-CD1 3.91Å
135V96.5Very high95.7Very high0 Ų051.3 Ų51.30%026%0.264CS..EExtended strand (participates in β ladder)trans-99.7133.6-176.9-176.60000109.9L110 V114 F129 V130 I142 I157 W159L110-V135 HydrophobicContact CD1-CG1 4.25Å; L110-V135 HydrophobicContact CD2-CG1 4.41Å; V114-V135 HydrophobicContact CG1-CG2 4.48Å; V114-V135 HydrophobicContact CG2-CG1 3.93Å; V114-V135 HydrophobicContact CG2-CG2 4.23Å; F129-V135 HydrophobicContact CB-CG2 4.47Å; V130-V135 HydrophobicContact CG2-CB 4.1Å; V130-V135 HydrophobicContact CG2-CG2 3.87Å; V135-I142 PolarHBondContact O-N 3.38Å; V135-I142 VanDerWaalsContact O-N 3.15Å; V135-I157 HydrophobicContact CG1-CG2 3.97Å; V135-W159 HydrophobicContact CG2-CE3 4.27Å; V135-W159 HydrophobicContact CG2-CZ3 3.95Å
136R95.8Very high95.7Very high65 Ų6551 Ų5125%0.24526%0.261CS..EExtended strand (participates in β ladder)trans-118154.7168.969.7173.4-179.3176.81.4110.3G138 D140 I141 T158 W159 S161R136-G138 VanDerWaalsContact CD-O 3.28Å; R136-G138 WeakPolarHBondContact CD-O 3.29Å; R136-D140 CarbonylContact C-O 3.57Å; R136-D140 VanDerWaalsContact CA-O 3.23Å; R136-D140 WeakPolarHBondContact CA-O 3.46Å; R136-D140 VanDerWaalsContact CB-O 3.26Å; R136-D140 WeakPolarHBondContact CB-O 2.93Å; R136-I141 HydrophobicContact CB-CG1 4.17Å; R136-T158 WeakPolarHBondContact CG-O 3.09Å; R136-T158 WeakPolarHBondContact CG-OG1 3.5Å; R136-T158 PolarHBondContact N-O 2.75Å; R136-T158 PolarHBondContact NE-OG1 3.07Å; R136-T158 PolarHBondContact O-N 2.89Å; R136-T158 VanDerWaalsContact O-N 3.08Å; R136-T158 VanDerWaalsContact O-O 3.09Å; R136-W159 PolarHBondContact NE-O 2.77Å; R136-S161 PolarHBondContact NH1-OG 3.36Å
137V95.7Very high95.7Very high2 Ų255.3 Ų55.31%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-124.7106174.3-171.70000106.8L110 D140 I142 Y147 M153 I157L110-V137 HydrophobicContact CD1-CG2 3.71Å; L110-V137 HydrophobicContact CD2-CG2 4.2Å; V137-D140 PolarHBondContact N-O 3.23Å; V137-I142 HydrophobicContact CB-CD1 3.64Å; V137-I142 HydrophobicContact CB-CG1 4.25Å; V137-I142 HydrophobicContact CG2-CD1 3.42Å; V137-I142 VanDerWaalsContact CG2-CD1 3.42Å; V137-I142 HydrophobicContact CG2-CG1 4Å; V137-Y147 HydrophobicContact CG1-CE1 4.43Å; V137-Y147 HydrophobicContact CG2-CE1 4.49Å; V137-M153 VanDerWaalsContact C-CE 3.48Å; V137-M153 HydrophobicContact CB-CE 4.35Å; V137-M153 HydrophobicContact CG1-CB 4.37Å; V137-M153 HydrophobicContact CG1-CE 3.63Å; V137-M153 HydrophobicContact CG1-CG 3.22Å; V137-M153 HydrophobicContact CG1-SD 4.25Å; V137-M153 VanDerWaalsContact O-CE 3.29Å; V137-M153 WeakPolarHBondContact O-CE 3.33Å; V137-I157 HydrophobicContact CG1-CG1 4.18Å; V137-I157 HydrophobicContact CG2-CG1 4.17Å
138G93.9Very high95.6Very high17 Ų1758.4 Ų58.418%0.17529%0.294CS..THydrogen-bonded Turntrans67.1-131.4-166.100000110.7R136 Y156R136-G138 VanDerWaalsContact CD-O 3.28Å; R136-G138 WeakPolarHBondContact CD-O 3.29Å; G138-Y156 PolarHBondContact N-O 3.22Å
139P93.3Very high95.6Very high102 Ų10256.2 Ų56.266%0.66228%0.28SS*.THydrogen-bonded Turntrans-77.7-25.5178.930.5-32.5000113.2
140D94.5Very high95.6Very high112 Ų11255.9 Ų55.960%0.59928%0.283SS*.EExtended strand (participates in β ladder)trans-92.1132.6-166.5-61.3-41.1000112.7R136 V137R136-D140 CarbonylContact C-O 3.57Å; R136-D140 VanDerWaalsContact CA-O 3.23Å; R136-D140 WeakPolarHBondContact CA-O 3.46Å; R136-D140 VanDerWaalsContact CB-O 3.26Å; R136-D140 WeakPolarHBondContact CB-O 2.93Å; V137-D140 PolarHBondContact N-O 3.23Å
141I95.6Very high95.5Very high96 Ų9661.5 Ų61.549%0.49230%0.304SS..EExtended strand (participates in β ladder)trans-79.2123.3173.3-63.8163000108.9G133 R136G133-I141 WeakPolarHBondContact O-CG2 3.37Å; R136-I141 HydrophobicContact CB-CG1 4.17Å
142I96.1Very high95.4Very high20 Ų2061.4 Ų61.410%0.10331%0.313CS..PPolyproline II helixtrans-103.6125.9-178-56.3-164.7000109.4L110 V135 V137 Y147L110-I142 HydrophobicContact CD2-CB 3.8Å; L110-I142 HydrophobicContact CD2-CD1 4.38Å; L110-I142 HydrophobicContact CD2-CG2 3.64Å; V135-I142 PolarHBondContact O-N 3.38Å; V135-I142 VanDerWaalsContact O-N 3.15Å; V137-I142 HydrophobicContact CB-CD1 3.64Å; V137-I142 HydrophobicContact CB-CG1 4.25Å; V137-I142 HydrophobicContact CG2-CD1 3.42Å; V137-I142 VanDerWaalsContact CG2-CD1 3.42Å; V137-I142 HydrophobicContact CG2-CG1 4Å; I142-Y147 HydrophobicContact CD1-CD1 3.41Å; I142-Y147 VanDerWaalsContact CD1-CD1 3.41Å; I142-Y147 HydrophobicContact CD1-CD2 3.88Å; I142-Y147 HydrophobicContact CD1-CE1 3.42Å; I142-Y147 VanDerWaalsContact CD1-CE1 3.42Å; I142-Y147 HydrophobicContact CD1-CE2 3.88Å; I142-Y147 HydrophobicContact CD1-CG 3.64Å; I142-Y147 HydrophobicContact CG2-CG 4.06Å
143R96Very high95.3Very high187 Ų18758 Ų5871%0.70630%0.298SS*.  trans-101.1-15.4176.8-63.4-175.6-179121.1-0.5114V130 P145V130-R143 WeakPolarHBondContact O-CA 3.23Å; R143-P145 WeakPolarHBondContact O-CD 3.45Å
144D95.5Very high95.3Very high89 Ų8959.2 Ų59.248%0.47630%0.299SS..  trans-91.9114.6-179.1-176.77.1000111.4A146 Y147D144-A146 PolarHBondContact O-N 3.09Å; D144-A146 WeakPolarHBondContact OD1-CB 3.31Å; D144-A146 PolarHBondContact OD1-N 3.28Å; D144-Y147 WeakPolarHBondContact O-CB 3.42Å; D144-Y147 PolarHBondContact O-N 2.99Å
145P95Very high95.2Very high6 Ų664 Ų644%0.03933%0.325CS..THydrogen-bonded Turntrans-66.9-14.4174.829.4-36.3000113.4R109 V127 V130 E131 R143 Y147R109-P145 PolarHBondContact NE-O 3.06Å; V127-P145 HydrophobicContact CG1-CB 4.18Å; V127-P145 HydrophobicContact CG1-CG 4.16Å; V127-P145 HydrophobicContact CG2-CB 4.2Å; V130-P145 HydrophobicContact CG1-CB 4.35Å; E131-P145 HydrophobicContact CG-CG 4.39Å; R143-P145 WeakPolarHBondContact O-CD 3.45Å; P145-Y147 VanDerWaalsContact C-N 3.28Å
146A95.5Very high95.1Very high19 Ų1970.5 Ų70.516%0.15735%0.351CS..THydrogen-bonded Turntrans-78.6-7.7174.900000114.4R109 D144 L148R109-A146 VanDerWaalsContact NH2-CA 3.3Å; D144-A146 PolarHBondContact O-N 3.09Å; D144-A146 WeakPolarHBondContact OD1-CB 3.31Å; D144-A146 PolarHBondContact OD1-N 3.28Å; A146-L148 PolarHBondContact O-N 3.41Å
147Y95.9Very high95.1Very high91 Ų9168.1 Ų68.136%0.35734%0.343SS..  trans-55.6122.4178.8-177-99000111.2R109 L110 V137 I142 D144 P145 V149R109-Y147 CarbonylContact C-O 3.55Å; R109-Y147 WeakPolarHBondContact CA-O 3.43Å; L110-Y147 HydrophobicContact CB-CD1 4.41Å; L110-Y147 WeakPolarHBondContact CB-O 3.36Å; L110-Y147 PolarHBondContact N-O 3.07Å; V137-Y147 HydrophobicContact CG1-CE1 4.43Å; V137-Y147 HydrophobicContact CG2-CE1 4.49Å; I142-Y147 HydrophobicContact CD1-CD1 3.41Å; I142-Y147 VanDerWaalsContact CD1-CD1 3.41Å; I142-Y147 HydrophobicContact CD1-CD2 3.88Å; I142-Y147 HydrophobicContact CD1-CE1 3.42Å; I142-Y147 VanDerWaalsContact CD1-CE1 3.42Å; I142-Y147 HydrophobicContact CD1-CE2 3.88Å; I142-Y147 HydrophobicContact CD1-CG 3.64Å; I142-Y147 HydrophobicContact CG2-CG 4.06Å; D144-Y147 WeakPolarHBondContact O-CB 3.42Å; D144-Y147 PolarHBondContact O-N 2.99Å; P145-Y147 VanDerWaalsContact C-N 3.28Å; Y147-V149 HydrophobicContact CD1-CG2 3.88Å; Y147-V149 HydrophobicContact CE1-CG2 4.08Å
148L95.3Very high95.1Very high67 Ų6770.7 Ų70.735%0.35136%0.359SS..BIsolated β-bridgetrans-87.2114.3178.4-73.4174.3000109.6Y47 F105 R108 R109 A146Y47-L148 HydrophobicContact CE1-CD1 4.25Å; F105-L148 HydrophobicContact CD1-CD1 4.14Å; F105-L148 WeakPolarHBondContact O-CD2 3.22Å; R108-L148 HydrophobicContact CB-CD2 4Å; R108-L148 WeakPolarHBondContact O-CA 3.2Å; R109-L148 HydrophobicContact CG-CD2 4.2Å; A146-L148 PolarHBondContact O-N 3.41Å
149V96.2Very high95.2Very high2 Ų271.3 Ų71.31%0.01236%0.356CS..  trans-87.5126.9179.6-169.30000109.2R108 L110 I113 Y147 M153 E154 I157R108-V149 VanDerWaalsContact CZ-O 3.31Å; R108-V149 PolarHBondContact NE-O 3Å; R108-V149 PolarHBondContact NH2-O 3.47Å; R108-V149 PolarHBondContact O-N 3.34Å; L110-V149 HydrophobicContact CB-CG2 4.01Å; L110-V149 HydrophobicContact CD1-CG2 3.69Å; L110-V149 HydrophobicContact CG-CG2 4.46Å; I113-V149 HydrophobicContact CD1-CB 3.49Å; I113-V149 VanDerWaalsContact CD1-CB 3.49Å; I113-V149 HydrophobicContact CD1-CG1 4.29Å; I113-V149 HydrophobicContact CD1-CG2 3.79Å; Y147-V149 HydrophobicContact CD1-CG2 3.88Å; Y147-V149 HydrophobicContact CE1-CG2 4.08Å; V149-M153 HydrophobicContact CG1-CB 3.89Å; V149-M153 HydrophobicContact CG1-CG 4.43Å; V149-E154 HydrophobicContact CG1-CB 4.46Å; V149-I157 HydrophobicContact CG1-CD1 3.94Å; V149-I157 HydrophobicContact CG1-CG1 4.41Å; V149-I157 HydrophobicContact CG2-CD1 4.17Å
150T96.1Very high95.2Very high45 Ų4566.7 Ų66.728%0.27633%0.326SS..  trans-72167.7171.565.40000111.1L85 R108 S152 M153 E154L85-T150 HydrophobicContact CD2-CG2 4.09Å; R108-T150 VanDerWaalsContact NH2-C 3.28Å; R108-T150 PolarHBondContact NH2-O 3.44Å; T150-S152 PolarHBondContact O-N 2.99Å; T150-S152 PolarHBondContact OG1-OG 3.2Å; T150-M153 PolarHBondContact O-N 3.39Å; T150-M153 WeakPolarHBondContact OG1-CB 3.42Å; T150-M153 PolarHBondContact OG1-N 3.31Å; T150-E154 PolarHBondContact O-N 3.46Å
151R94.7Very high94.9Very high117 Ų11764.6 Ų64.644%0.44232%0.32SS..THydrogen-bonded Turntrans-66.3-38.5-178.7-160.3172.8-165.8-179.32.2112.4H83 N84 P89 M153 E154H83-R151 PolarHBondContact CE1-NH1 3.36Å; H83-R151 PolarHBondContact NE2-NH1 3.5Å; N84-R151 WeakPolarHBondContact O-CB 3.38Å; N84-R151 PolarHBondContact O-N 2.88Å; P89-R151 PolarHBondContact O-NH1 3.43Å; R151-M153 VanDerWaalsContact C-N 3.3Å; R151-M153 PolarHBondContact O-N 3.09Å; R151-E154 WeakPolarHBondContact O-CB 3.37Å; R151-E154 PolarHBondContact O-N 3.45Å
152S94.7Very high94.4Very high84 Ų8469.8 Ų69.859%0.58733%0.334SS*.THydrogen-bonded Turntrans-68.9-28.9177.153.40000112.9T150 Y156T150-S152 PolarHBondContact O-N 2.99Å; T150-S152 PolarHBondContact OG1-OG 3.2Å; S152-Y156 WeakPolarHBondContact O-CD2 3.29Å; S152-Y156 VanDerWaalsContact O-CE2 3.3Å; S152-Y156 WeakPolarHBondContact O-CE2 3.49Å
153M94.5Very high94.2Very high46 Ų4669 Ų6923%0.22733%0.33CS..THydrogen-bonded Turntrans-84.9-12.9-177.6-156.772.7-174.800113.1V137 V149 T150 R151 D155 Y156V137-M153 VanDerWaalsContact C-CE 3.48Å; V137-M153 HydrophobicContact CB-CE 4.35Å; V137-M153 HydrophobicContact CG1-CB 4.37Å; V137-M153 HydrophobicContact CG1-CE 3.63Å; V137-M153 HydrophobicContact CG1-CG 3.22Å; V137-M153 HydrophobicContact CG1-SD 4.25Å; V137-M153 VanDerWaalsContact O-CE 3.29Å; V137-M153 WeakPolarHBondContact O-CE 3.33Å; V149-M153 HydrophobicContact CG1-CB 3.89Å; V149-M153 HydrophobicContact CG1-CG 4.43Å; T150-M153 PolarHBondContact O-N 3.39Å; T150-M153 WeakPolarHBondContact OG1-CB 3.42Å; T150-M153 PolarHBondContact OG1-N 3.31Å; R151-M153 VanDerWaalsContact C-N 3.3Å; R151-M153 PolarHBondContact O-N 3.09Å; M153-D155 VanDerWaalsContact C-N 3.29Å; M153-D155 PolarHBondContact O-N 3.3Å; M153-Y156 HydrophobicContact CE-CD2 4.49Å; M153-Y156 PolarHBondContact O-N 3.42Å; M153-Y156 HydrophobicContact SD-CD2 3.85Å
154E93.7Very high94.1Very high40 Ų4068.1 Ų68.119%0.18733%0.332CS..G310 helixtrans-61.2-36.2-178.3-173.1164.3169.900112.8R108 I113 R116 V149 T150 R151 Y156 I157R108-E154 IonicContact CZ-OE2 3.73Å; R108-E154 VanDerWaalsContact CZ-OE2 3.31Å; R108-E154 IonicContact NH1-OE2 3.17Å; R108-E154 PolarHBondContact NH1-OE2 3.04Å; R108-E154 IonicContact NH2-OE2 2.65Å; R108-E154 PolarHBondContact NH2-OE2 3.02Å; I113-E154 HydrophobicContact CG2-CG 3.87Å; R116-E154 IonicContact CZ-OE1 3.24Å; R116-E154 IonicContact NE-OE1 3.04Å; R116-E154 IonicContact NH2-OE1 3.35Å; R116-E154 PolarHBondContact NH2-OE1 2.93Å; R116-E154 IonicContact NH2-OE2 2.92Å; R116-E154 PolarHBondContact NH2-OE2 3.2Å; R116-E154 VanDerWaalsContact NH2-OE2 3.11Å; V149-E154 HydrophobicContact CG1-CB 4.46Å; T150-E154 PolarHBondContact O-N 3.46Å; R151-E154 WeakPolarHBondContact O-CB 3.37Å; R151-E154 PolarHBondContact O-N 3.45Å; E154-Y156 PolarHBondContact O-N 2.98Å; E154-I157 HydrophobicContact CG-CD1 4.46Å; E154-I157 WeakPolarHBondContact O-CG1 3.28Å; E154-I157 PolarHBondContact O-N 3.46Å
155D94.1Very high94Very high136 Ų13665.4 Ų65.473%0.72732%0.317SS*.G310 helixtrans-71-19.3-179.1-60.7-26.4000112.9M153M153-D155 VanDerWaalsContact C-N 3.29Å; M153-D155 PolarHBondContact O-N 3.3Å
156Y95.5Very high93.9Very high138 Ų13868.7 Ų68.754%0.54133%0.328SS..G310 helixtrans-95.26.5-179.7-52.7-63.2000113.3G138 S152 M153 E154 T158G138-Y156 PolarHBondContact N-O 3.22Å; S152-Y156 WeakPolarHBondContact O-CD2 3.29Å; S152-Y156 VanDerWaalsContact O-CE2 3.3Å; S152-Y156 WeakPolarHBondContact O-CE2 3.49Å; M153-Y156 HydrophobicContact CE-CD2 4.49Å; M153-Y156 PolarHBondContact O-N 3.42Å; M153-Y156 HydrophobicContact SD-CD2 3.85Å; E154-Y156 PolarHBondContact O-N 2.98Å; Y156-T158 PolarHBondContact O-N 2.97Å
157I96Very high93.8Very high15 Ų1570.2 Ų70.28%0.07733%0.331CS..EExtended strand (participates in β ladder)trans-74.6115175.2-59.9172.5000108.7L110 I113 V114 M119 V135 V137 V149 E154L110-I157 HydrophobicContact CD1-CD1 4.07Å; L110-I157 HydrophobicContact CD1-CG1 4.37Å; L110-I157 HydrophobicContact CD1-CG2 4.4Å; I113-I157 HydrophobicContact CB-CD1 4.2Å; I113-I157 HydrophobicContact CG2-CD1 3.32Å; V114-I157 HydrophobicContact CG2-CG2 4.16Å; M119-I157 HydrophobicContact SD-CG2 3.84Å; V135-I157 HydrophobicContact CG1-CG2 3.97Å; V137-I157 HydrophobicContact CG1-CG1 4.18Å; V137-I157 HydrophobicContact CG2-CG1 4.17Å; V149-I157 HydrophobicContact CG1-CD1 3.94Å; V149-I157 HydrophobicContact CG1-CG1 4.41Å; V149-I157 HydrophobicContact CG2-CD1 4.17Å; E154-I157 HydrophobicContact CG-CD1 4.46Å; E154-I157 WeakPolarHBondContact O-CG1 3.28Å; E154-I157 PolarHBondContact O-N 3.46Å
158T95.6Very high93.7Very high56 Ų5675.4 Ų75.434%0.34435%0.35SS..EExtended strand (participates in β ladder)trans-143171178.756.90000110.8R136 Y156R136-T158 WeakPolarHBondContact CG-O 3.09Å; R136-T158 WeakPolarHBondContact CG-OG1 3.5Å; R136-T158 PolarHBondContact N-O 2.75Å; R136-T158 PolarHBondContact NE-OG1 3.07Å; R136-T158 PolarHBondContact O-N 2.89Å; R136-T158 VanDerWaalsContact O-N 3.08Å; R136-T158 VanDerWaalsContact O-O 3.09Å; Y156-T158 PolarHBondContact O-N 2.97Å
159W95.3Very high93.6Very high30 Ų3075.5 Ų75.511%0.11435%0.351CS..EExtended strand (participates in β ladder)trans-69.2143168-60.3113.3000110.5M119 F129 H134 V135 R136 I165 R166 I169M119-W159 HydrophobicContact CB-CH2 4.31Å; M119-W159 HydrophobicContact CB-CZ2 3.86Å; M119-W159 HydrophobicContact CE-CD2 3.57Å; M119-W159 VanDerWaalsContact CE-CE2 3.49Å; M119-W159 HydrophobicContact CE-CE3 3.97Å; M119-W159 HydrophobicContact CE-CG 3.99Å; M119-W159 HydrophobicContact CE-CH2 4.22Å; M119-W159 HydrophobicContact CE-CZ2 3.85Å; M119-W159 HydrophobicContact CE-CZ3 4.27Å; M119-W159 VanDerWaalsContact O-CZ2 3.31Å; M119-W159 WeakPolarHBondContact O-CZ2 2.79Å; F129-W159 HydrophobicContact CB-CZ3 4.23Å; F129-W159 AromaticContact CD2-CH2 3.73Å; F129-W159 HydrophobicContact CD2-CH2 3.73Å; F129-W159 HydrophobicContact CD2-CZ3 4.2Å; F129-W159 HydrophobicContact CE2-CH2 4.18Å; F129-W159 HydrophobicContact CG-CH2 4.35Å; F129-W159 HydrophobicContact CG-CZ3 4.38Å; H134-W159 HydrophobicContact CB-CE3 3.99Å; H134-W159 HydrophobicContact CB-CZ3 3.97Å; H134-W159 CarbonylContact O-C 3.6Å; H134-W159 WeakPolarHBondContact O-CA 3.49Å; V135-W159 HydrophobicContact CG2-CE3 4.27Å; V135-W159 HydrophobicContact CG2-CZ3 3.95Å; R136-W159 PolarHBondContact NE-O 2.77Å; W159-I165 HydrophobicContact CD2-CG2 4.24Å; W159-I165 HydrophobicContact CE3-CB 4.32Å; W159-I165 HydrophobicContact CE3-CD1 4.48Å; W159-I165 HydrophobicContact CE3-CG2 4.28Å; W159-I165 HydrophobicContact CH2-CB 4.45Å; W159-I165 HydrophobicContact CH2-CD1 4.08Å; W159-I165 HydrophobicContact CH2-CG2 3.72Å; W159-I165 HydrophobicContact CZ2-CG2 3.64Å; W159-I165 HydrophobicContact CZ3-CB 4.29Å; W159-I165 HydrophobicContact CZ3-CD1 3.78Å; W159-I165 HydrophobicContact CZ3-CG2 4.04Å; W159-R166 HydrophobicContact CB-CB 3.79Å; W159-R166 HydrophobicContact CB-CG 4.3Å; W159-R166 HydrophobicContact CG-CB 4.19Å; W159-I169 HydrophobicContact CZ2-CD1 4.32Å
160G92.3Very high93.4Very high4 Ų477.6 Ų77.64%0.04136%0.36CS..  trans-59.9146.917000000111.2H134 R162 S163H134-G160 PolarHBondContact O-N 2.84Å; G160-R162 VanDerWaalsContact C-N 3.26Å; G160-R162 PolarHBondContact O-N 2.99Å; G160-S163 WeakPolarHBondContact O-CB 3.37Å; G160-S163 PolarHBondContact O-N 3.4Å
161S88.4Confident93.3Very high68 Ų6879.1 Ų79.148%0.47637%0.367SS..THydrogen-bonded Turntrans-55.5-40.8-175.1-490000112.6R136 S163R136-S161 PolarHBondContact NH1-OG 3.36Å; S161-S163 VanDerWaalsContact C-N 3.28Å; S161-S163 PolarHBondContact O-N 3.31Å
162R86.9Confident93.3Very high205 Ų20583.2 Ų83.277%0.77438%0.384SS*.THydrogen-bonded Turntrans-87.915.2179.5-63-178.1172.2175.8-6.1114.1G160 K164 V182G160-R162 VanDerWaalsContact C-N 3.26Å; G160-R162 PolarHBondContact O-N 2.99Å; R162-K164 PolarHBondContact O-N 3.01Å; R162-V182 PolarHBondContact NH2-OXT 3.37Å
163S91Very high93.3Very high4 Ų483.7 Ų83.73%0.02838%0.38CS..  trans-74123.3-176.3-178.20000111.5H134 G160 S161 I165 R166 K167H134-S163 PolarHBondContact ND1-OG 3.11Å; G160-S163 WeakPolarHBondContact O-CB 3.37Å; G160-S163 PolarHBondContact O-N 3.4Å; S161-S163 VanDerWaalsContact C-N 3.28Å; S161-S163 PolarHBondContact O-N 3.31Å; S163-I165 PolarHBondContact O-N 2.95Å; S163-I165 PolarHBondContact OG-N 3.04Å; S163-R166 WeakPolarHBondContact O-CB 3.46Å; S163-R166 PolarHBondContact O-N 3.46Å; S163-R166 VanDerWaalsContact O-N 3.09Å; S163-K167 PolarHBondContact O-N 2.83Å
164K92.9Very high93.2Very high168 Ų16884.8 Ų84.873%0.7340%0.402SS*.Hα-helixtrans-59.6-29.1172.1-68.3-177.7179.4-179.30112.9R162 R166 R168R162-K164 PolarHBondContact O-N 3.01Å; K164-R166 VanDerWaalsContact C-N 3.35Å; K164-R168 WeakPolarHBondContact O-CB 3.48Å; K164-R168 PolarHBondContact O-N 3.5Å
165I94.2Very high93.1Very high33 Ų3389.2 Ų89.217%0.16943%0.427CS..Hα-helixtrans-66.7-41.3177.1-58.4175.7000110F129 H134 W159 S163 R168 I169F129-I165 HydrophobicContact CB-CD1 4.33Å; F129-I165 HydrophobicContact CD1-CD1 3.4Å; F129-I165 HydrophobicContact CD2-CD1 4.17Å; F129-I165 HydrophobicContact CE1-CD1 3.59Å; F129-I165 HydrophobicContact CE2-CD1 4.31Å; F129-I165 HydrophobicContact CG-CD1 3.72Å; F129-I165 HydrophobicContact CZ-CD1 4.04Å; H134-I165 HydrophobicContact CB-CD1 3.91Å; W159-I165 HydrophobicContact CD2-CG2 4.24Å; W159-I165 HydrophobicContact CE3-CB 4.32Å; W159-I165 HydrophobicContact CE3-CD1 4.48Å; W159-I165 HydrophobicContact CE3-CG2 4.28Å; W159-I165 HydrophobicContact CH2-CB 4.45Å; W159-I165 HydrophobicContact CH2-CD1 4.08Å; W159-I165 HydrophobicContact CH2-CG2 3.72Å; W159-I165 HydrophobicContact CZ2-CG2 3.64Å; W159-I165 HydrophobicContact CZ3-CB 4.29Å; W159-I165 HydrophobicContact CZ3-CD1 3.78Å; W159-I165 HydrophobicContact CZ3-CG2 4.04Å; S163-I165 PolarHBondContact O-N 2.95Å; S163-I165 PolarHBondContact OG-N 3.04Å; I165-R168 PolarHBondContact O-N 3.31Å; I165-I169 HydrophobicContact CG2-CD1 3.97Å; I165-I169 VanDerWaalsContact O-CG1 3.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.36Å; I165-I169 PolarHBondContact O-N 3.34Å; I165-I169 VanDerWaalsContact O-N 3.08Å
166R93.1Very high92.7Very high74 Ų7487.7 Ų87.728%0.27941%0.411SS..Hα-helixtrans-61.2-51.4176.4-178.9179.1170.3175.4-8.8111W159 S163 K164 R168 I169 E170W159-R166 HydrophobicContact CB-CB 3.79Å; W159-R166 HydrophobicContact CB-CG 4.3Å; W159-R166 HydrophobicContact CG-CB 4.19Å; S163-R166 WeakPolarHBondContact O-CB 3.46Å; S163-R166 PolarHBondContact O-N 3.46Å; S163-R166 VanDerWaalsContact O-N 3.09Å; K164-R166 VanDerWaalsContact C-N 3.35Å; R166-R168 VanDerWaalsContact C-N 3.27Å; R166-R168 PolarHBondContact O-N 3.39Å; R166-I169 WeakPolarHBondContact O-CB 3.29Å; R166-I169 PolarHBondContact O-N 3.28Å; R166-E170 IonicContact CZ-OE1 3.11Å; R166-E170 IonicContact NE-OE1 2.73Å; R166-E170 PolarHBondContact NE-OE1 2.71Å; R166-E170 IonicContact NE-OE2 2.96Å; R166-E170 IonicContact NH2-OE1 3.31Å; R166-E170 PolarHBondContact NH2-OE1 3.43Å; R166-E170 PolarHBondContact O-N 3.07Å
167K92.5Very high92.3Very high51 Ų5186.1 Ų86.122%0.22241%0.412CS..Hα-helixtrans-53.3-46.4177.2-60.9-170.1-174.6-152.40111.7S163 I169 E170 D171 D181S163-K167 PolarHBondContact O-N 2.83Å; K167-I169 VanDerWaalsContact C-N 3.3Å; K167-I169 PolarHBondContact O-N 2.82Å; K167-E170 PolarHBondContact O-N 2.95Å; K167-D171 WeakPolarHBondContact O-CB 3.4Å; K167-D171 PolarHBondContact O-N 2.86Å; K167-D171 VanDerWaalsContact O-OD2 3.13Å; K167-D181 WeakPolarHBondContact CE-OD1 3.48Å; K167-D181 IonicContact NZ-OD1 3.79Å; K167-D181 PolarHBondContact NZ-OD1 3.38Å; K167-D181 IonicContact NZ-OD2 2.71Å; K167-D181 PolarHBondContact NZ-OD2 2.74Å
168R94.1Very high91.8Very high200 Ų20090.2 Ų90.276%0.75543%0.434SS*.Hα-helixtrans-61.9-35.5178.1-173.3175.6-178.3175.51113.2K164 I165 R166 Y172K164-R168 WeakPolarHBondContact O-CB 3.48Å; K164-R168 PolarHBondContact O-N 3.5Å; I165-R168 PolarHBondContact O-N 3.31Å; R166-R168 VanDerWaalsContact C-N 3.27Å; R166-R168 PolarHBondContact O-N 3.39Å; R168-Y172 WeakPolarHBondContact O-CB 3.38Å; R168-Y172 PolarHBondContact O-N 3.38Å
169I93.7Very high91.3Very high69 Ų6996.5 Ų96.535%0.35445%0.453SS..Hα-helixtrans-71.1-42.4176.5-67.1164.1000110.3W159 I165 R166 K167 Y172 N173W159-I169 HydrophobicContact CZ2-CD1 4.32Å; I165-I169 HydrophobicContact CG2-CD1 3.97Å; I165-I169 VanDerWaalsContact O-CG1 3.29Å; I165-I169 WeakPolarHBondContact O-CG1 3.36Å; I165-I169 PolarHBondContact O-N 3.34Å; I165-I169 VanDerWaalsContact O-N 3.08Å; R166-I169 WeakPolarHBondContact O-CB 3.29Å; R166-I169 PolarHBondContact O-N 3.28Å; K167-I169 VanDerWaalsContact C-N 3.3Å; K167-I169 PolarHBondContact O-N 2.82Å; I169-Y172 PolarHBondContact O-N 3.34Å; I169-N173 PolarHBondContact O-N 3.08Å; I169-N173 PolarHBondContact O-ND2 3.29Å
170E92.8Very high90.4Very high47 Ų47100.9 Ų100.922%0.2248%0.478CS..Hα-helixtrans-65-42.5176.8-71.4164.8167.700111.6R166 K167 Y172 N173 G174 L175 R176R166-E170 IonicContact CZ-OE1 3.11Å; R166-E170 IonicContact NE-OE1 2.73Å; R166-E170 PolarHBondContact NE-OE1 2.71Å; R166-E170 IonicContact NE-OE2 2.96Å; R166-E170 IonicContact NH2-OE1 3.31Å; R166-E170 PolarHBondContact NH2-OE1 3.43Å; R166-E170 PolarHBondContact O-N 3.07Å; K167-E170 PolarHBondContact O-N 2.95Å; E170-Y172 PolarHBondContact O-N 3.21Å; E170-N173 PolarHBondContact O-N 3.23Å; E170-G174 PolarHBondContact O-N 2.81Å; E170-L175 PolarHBondContact O-N 3.18Å; E170-R176 HydrophobicContact CB-CB 4.3Å
171D94.1Very high89.3Confident77 Ų77103.1 Ų103.141%0.41249%0.489SS..Hα-helixtrans-55.7-48.9171.1-80.6-46.6000111.3K167 N173 G174 R176K167-D171 WeakPolarHBondContact O-CB 3.4Å; K167-D171 PolarHBondContact O-N 2.86Å; K167-D171 VanDerWaalsContact O-OD2 3.13Å; D171-N173 VanDerWaalsContact C-N 3.3Å; D171-N173 PolarHBondContact O-N 3.46Å; D171-G174 PolarHBondContact O-N 3.17Å; D171-G174 VanDerWaalsContact O-N 3.11Å; D171-R176 WeakPolarHBondContact OD1-CD 3.44Å; D171-R176 IonicContact OD1-CZ 2.67Å; D171-R176 IonicContact OD1-NE 3.68Å; D171-R176 IonicContact OD1-NH1 2.86Å; D171-R176 PolarHBondContact OD1-NH1 3.07Å; D171-R176 IonicContact OD2-CZ 3.57Å; D171-R176 IonicContact OD2-NH1 3.14Å; D171-R176 PolarHBondContact OD2-NH1 3.22Å
172Y95Very high87.8Confident203 Ų203107.7 Ų107.780%0.79651%0.514SS*.Hα-helixtrans-62.4-37.3-180177.8-98.9000112.6R168 I169 E170 G174R168-Y172 WeakPolarHBondContact O-CB 3.38Å; R168-Y172 PolarHBondContact O-N 3.38Å; I169-Y172 PolarHBondContact O-N 3.34Å; E170-Y172 PolarHBondContact O-N 3.21Å; Y172-G174 VanDerWaalsContact C-N 3.3Å
173N94.5Very high87.9Confident94 Ų94102.8 Ų102.850%0.50350%0.501SS..Hα-helixtrans-81.5-7.8177.9-66.9-25.8000113.3I169 E170 D171 L175I169-N173 PolarHBondContact O-N 3.08Å; I169-N173 PolarHBondContact O-ND2 3.29Å; E170-N173 PolarHBondContact O-N 3.23Å; D171-N173 VanDerWaalsContact C-N 3.3Å; D171-N173 PolarHBondContact O-N 3.46Å; N173-L175 VanDerWaalsContact C-N 3.28Å; N173-L175 HydrophobicContact CB-CB 4.48Å; N173-L175 HydrophobicContact CB-CD1 3.95Å; N173-L175 HydrophobicContact CB-CG 4.11Å; N173-L175 PolarHBondContact O-N 3.36Å
174G92.6Very high87.7Confident68 Ų68108 Ų10870%0.70153%0.526SS*.THydrogen-bonded Turntrans68.524-174.900000114.1E170 D171 Y172E170-G174 PolarHBondContact O-N 2.81Å; D171-G174 PolarHBondContact O-N 3.17Å; D171-G174 VanDerWaalsContact O-N 3.11Å; Y172-G174 VanDerWaalsContact C-N 3.3Å
175L91Very high87.4Confident134 Ų134104.7 Ų104.770%0.70251%0.514SS*.  trans-107.811.7-175.9-67.4172.2000112.9E170 N173 D177E170-L175 PolarHBondContact O-N 3.18Å; N173-L175 VanDerWaalsContact C-N 3.28Å; N173-L175 HydrophobicContact CB-CB 4.48Å; N173-L175 HydrophobicContact CB-CD1 3.95Å; N173-L175 HydrophobicContact CB-CG 4.11Å; N173-L175 PolarHBondContact O-N 3.36Å; L175-D177 PolarHBondContact O-N 3.1Å
176R85.3Confident87Confident104 Ų104108.9 Ų108.939%0.39254%0.535SS..  trans-71.6126.8-174.1-178.8172.8173.8-178.4-0.2111.3E170 D171 D178 D181E170-R176 HydrophobicContact CB-CB 4.3Å; D171-R176 WeakPolarHBondContact OD1-CD 3.44Å; D171-R176 IonicContact OD1-CZ 2.67Å; D171-R176 IonicContact OD1-NE 3.68Å; D171-R176 IonicContact OD1-NH1 2.86Å; D171-R176 PolarHBondContact OD1-NH1 3.07Å; D171-R176 IonicContact OD2-CZ 3.57Å; D171-R176 IonicContact OD2-NH1 3.14Å; D171-R176 PolarHBondContact OD2-NH1 3.22Å; R176-D178 WeakPolarHBondContact CD-OD1 3.46Å; R176-D178 WeakPolarHBondContact CG-OD1 3.31Å; R176-D178 IonicContact CZ-OD1 3.64Å; R176-D178 IonicContact NE-OD1 3.63Å; R176-D178 PolarHBondContact NE-OD1 2.93Å; R176-D178 IonicContact NH2-OD1 2.83Å; R176-D178 PolarHBondContact NH2-OD1 3.14Å; R176-D181 IonicContact NH2-OD2 3.43Å
177D87Confident86.6Confident105 Ų105111.1 Ų111.156%0.56155%0.55SS**  trans-115.1118.9167.4-169.8-16000108.4L175 Y179L175-D177 PolarHBondContact O-N 3.1Å; D177-Y179 PolarHBondContact O-N 3.3Å; D177-Y179 VanDerWaalsContact OD1-CB 3.3Å; D177-Y179 WeakPolarHBondContact OD1-CB 3.38Å; D177-Y179 PolarHBondContact OD1-N 3.24Å
178D85.4Confident86.2Confident101 Ų101115.1 Ų115.154%0.5457%0.572SS.*G310 helixtrans-78.5-4.4-177.1-66.4-26.1000112.8R176R176-D178 WeakPolarHBondContact CD-OD1 3.46Å; R176-D178 WeakPolarHBondContact CG-OD1 3.31Å; R176-D178 IonicContact CZ-OD1 3.64Å; R176-D178 IonicContact NE-OD1 3.63Å; R176-D178 PolarHBondContact NE-OD1 2.93Å; R176-D178 IonicContact NH2-OD1 2.83Å; R176-D178 PolarHBondContact NH2-OD1 3.14Å
179Y86.1Confident85.7Confident188 Ų188109 Ų10974%0.73756%0.559SS**G310 helixtrans-65.7-39.1178.9-176.6-97.8000113D177 D181D177-Y179 PolarHBondContact O-N 3.3Å; D177-Y179 VanDerWaalsContact OD1-CB 3.3Å; D177-Y179 WeakPolarHBondContact OD1-CB 3.38Å; D177-Y179 PolarHBondContact OD1-N 3.24Å; Y179-D181 PolarHBondContact O-N 2.77Å
180D75.7Confident85.1Confident122 Ų122112.1 Ų112.165%0.65258%0.575SS**G310 helixtrans-79.1-2.7-175.6-75.5-19.7000113.9V182D180-V182 VanDerWaalsContact C-N 3.26Å; D180-V182 PolarHBondContact O-N 2.68Å
181D68.7Low84.4Confident51 Ų51117.5 Ų117.527%0.27361%0.605SS.*G310 helixtrans-79-3.7-173.9-89.5-14.7000114.7K167 R176 Y179K167-D181 WeakPolarHBondContact CE-OD1 3.48Å; K167-D181 IonicContact NZ-OD1 3.79Å; K167-D181 PolarHBondContact NZ-OD1 3.38Å; K167-D181 IonicContact NZ-OD2 2.71Å; K167-D181 PolarHBondContact NZ-OD2 2.74Å; R176-D181 IonicContact NH2-OD2 3.43Å; Y179-D181 PolarHBondContact O-N 2.77Å
182V57.7Low83.5Confident163 Ų163121.2 Ų121.299%0.98862%0.622SS**  trans-89.80-175.8-168.70000112.1R162 D180R162-V182 PolarHBondContact NH2-OXT 3.37Å; D180-V182 VanDerWaalsContact C-N 3.26Å; D180-V182 PolarHBondContact O-N 2.68Å

Retrieved 182 of 182 residues in 57.5 ms (Link to these results)

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