A0A077ZDF3_TRITR Loading...

DUF1647 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	24.1	Very low	33.7	Very low	173 Å²	173	53.5 Å²	53.5	85%	0.852	26%	0.263	S	S	*	.				0	130.8	0	-83.8	174.6	-87.4	0	0	107.9
2	L	32.3	Very low	34	Very low	28 Å²	28	58.4 Å²	58.4	15%	0.147	29%	0.29	C	S	.	.			trans	-138.3	157.2	174.7	-76.2	169.6	0	0	0	106.5	Y98 Y159 Y270	L2-Y98 PolarHBondContact O-OH 2.84Å; L2-Y98 VanDerWaalsContact O-OH 3.09Å; L2-Y159 WeakPolarHBondContact CA-OH 3.35Å; L2-Y159 HydrophobicContact CB-CD2 4.4Å; L2-Y159 HydrophobicContact CB-CE1 4.24Å; L2-Y159 HydrophobicContact CB-CE2 3.37Å; L2-Y159 WeakPolarHBondContact CB-OH 3.42Å; L2-Y159 HydrophobicContact CD1-CE2 3.97Å; L2-Y159 HydrophobicContact CG-CE2 4.32Å; L2-Y159 PolarHBondContact N-OH 3.38Å; L2-Y159 PolarHBondContact O-OH 2.93Å; L2-Y270 HydrophobicContact CD1-CD2 4.04Å; L2-Y270 HydrophobicContact CD1-CE2 4.23Å
3	Q	44.1	Very low	33.8	Very low	9 Å²	9	63.1 Å²	63.1	4%	0.042	33%	0.327	C	S	.	.			trans	-147.5	159.3	-142.6	-45.5	173.7	-105.4	0	0	113.5	Y98 R302 H303	Q3-Y98 HydrophobicContact CB-CD1 4.23Å; Q3-Y98 HydrophobicContact CB-CE1 3.96Å; Q3-Y98 HydrophobicContact CG-CD1 4.31Å; Q3-Y98 HydrophobicContact CG-CE1 3.6Å; Q3-R302 VanDerWaalsContact OE1-CB 3.25Å; Q3-R302 VanDerWaalsContact OE1-CD 3.27Å; Q3-H303 PolarHBondContact NE2-CD2 2.96Å; Q3-H303 PolarHBondContact NE2-CE1 3.07Å; Q3-H303 VanDerWaalsContact NE2-CG 3.32Å; Q3-H303 PolarHBondContact NE2-ND1 3.31Å; Q3-H303 PolarHBondContact NE2-NE2 2.8Å
4	P	33.7	Very low	33.4	Very low	15 Å²	15	72.8 Å²	72.8	10%	0.097	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-58	131.9	143.3	-14.8	32.4	0	0	0	108.6	A93 A94 Y98	P4-A93 WeakPolarHBondContact CB-O 3.08Å; P4-A93 WeakPolarHBondContact CG-O 3.41Å; P4-A94 HydrophobicContact CG-CB 4.04Å; P4-Y98 VanDerWaalsContact CD-CG 3.41Å; P4-Y98 HydrophobicContact CG-CD2 4.4Å; P4-Y98 HydrophobicContact CG-CG 4.1Å
5	Q	42.9	Very low	33.4	Very low	20 Å²	20	71.8 Å²	71.8	9%	0.093	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-102.3	123.6	-177.2	-71.6	-176.3	-2.3	0	0	109.4	V7 I300	Q5-V7 PolarHBondContact O-N 2.62Å; Q5-I300 HydrophobicContact CB-CG2 3.96Å; Q5-I300 HydrophobicContact CG-CG2 4.13Å
6	L	32.3	Very low	33.3	Very low	9 Å²	9	75.7 Å²	75.7	5%	0.047	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130.8	163.1	155.6	65.5	0	0	0	107.6	L8 M104 I300 E301 Q304	L6-L8 HydrophobicContact CD1-CD2 4.11Å; L6-L8 HydrophobicContact CD1-CG 4.1Å; L6-L8 HydrophobicContact CD2-CG 4.34Å; L6-L8 HydrophobicContact CG-CG 4.29Å; L6-M104 HydrophobicContact CD1-CB 4.07Å; L6-M104 WeakPolarHBondContact CD1-O 3.38Å; L6-M104 HydrophobicContact CD2-CB 4.01Å; L6-M104 HydrophobicContact CG-CB 4.49Å; L6-I300 WeakPolarHBondContact O-CA 3.25Å; L6-E301 WeakPolarHBondContact CB-O 3.1Å; L6-E301 HydrophobicContact CD2-CB 4.09Å; L6-Q304 HydrophobicContact CD2-CB 3.98Å; L6-Q304 HydrophobicContact CD2-CG 4.41Å
7	V	38.2	Very low	33.4	Very low	15 Å²	15	80.2 Å²	80.2	9%	0.091	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	97.7	169.6	-172.3	0	0	0	0	106.6	Q5 L9 S108 L218	Q5-V7 PolarHBondContact O-N 2.62Å; V7-L9 HydrophobicContact CG1-CD2 3.77Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; V7-L9 PolarHBondContact O-N 3.22Å; V7-S108 WeakPolarHBondContact O-CB 3.17Å; V7-S108 PolarHBondContact O-OG 2.9Å; V7-L218 HydrophobicContact CG1-CD1 4.1Å; V7-L218 HydrophobicContact CG1-CD2 3.76Å; V7-L218 HydrophobicContact CG1-CG 4.33Å; V7-L218 HydrophobicContact CG2-CB 3.8Å; V7-L218 HydrophobicContact CG2-CD1 4Å; V7-L218 HydrophobicContact CG2-CD2 4.48Å; V7-L218 HydrophobicContact CG2-CG 4.25Å
8	L	29.1	Very low	33.4	Very low	49 Å²	49	79.4 Å²	79.4	26%	0.257	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.8	158	-65.6	169.8	0	0	0	106.4	L6 S108 Y298 R299 E301	L6-L8 HydrophobicContact CD1-CD2 4.11Å; L6-L8 HydrophobicContact CD1-CG 4.1Å; L6-L8 HydrophobicContact CD2-CG 4.34Å; L6-L8 HydrophobicContact CG-CG 4.29Å; L8-S108 WeakPolarHBondContact CA-OG 3.5Å; L8-Y298 CarbonylContact O-C 3.48Å; L8-Y298 WeakPolarHBondContact O-CA 3.37Å; L8-Y298 WeakPolarHBondContact O-CB 3.44Å; L8-R299 HydrophobicContact CB-CB 4.16Å; L8-R299 HydrophobicContact CD1-CB 4.31Å; L8-R299 HydrophobicContact CD1-CG 4.39Å; L8-R299 PolarHBondContact N-O 3.1Å; L8-R299 PolarHBondContact O-N 2.71Å; L8-E301 HydrophobicContact CD1-CG 4.19Å
9	L	35.8	Very low	33.4	Very low	17 Å²	17	83.7 Å²	83.7	9%	0.089	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	157.6	170.7	-68.3	165.2	0	0	0	108.6	V7 S108 L109 H112 F113 F297	V7-L9 HydrophobicContact CG1-CD2 3.77Å; V7-L9 HydrophobicContact CG1-CG 3.92Å; V7-L9 PolarHBondContact O-N 3.22Å; L9-S108 PolarHBondContact N-OG 2.79Å; L9-L109 HydrophobicContact CD1-CD2 3.99Å; L9-H112 HydrophobicContact CB-CB 4.43Å; L9-H112 PolarHBondContact O-CE1 3.08Å; L9-H112 PolarHBondContact O-NE2 3.33Å; L9-H112 VanDerWaalsContact O-NE2 3.1Å; L9-F113 HydrophobicContact CB-CE2 4.45Å; L9-F113 HydrophobicContact CD1-CD2 4.19Å; L9-F113 HydrophobicContact CD1-CE2 3.43Å; L9-F113 VanDerWaalsContact CD1-CE2 3.43Å; L9-F113 HydrophobicContact CD1-CZ 4.21Å; L9-F297 CarbonylContact C-O 3.42Å; L9-F297 WeakPolarHBondContact CA-O 3.36Å; L9-F297 HydrophobicContact CD2-CD2 3.73Å; L9-F297 HydrophobicContact CD2-CE2 3.73Å
10	H	29.6	Very low	33.5	Very low	100 Å²	100	87.8 Å²	87.8	46%	0.463	48%	0.483	S	S	.	.			trans	-133.7	132.7	179.1	-70.7	-41	0	0	0	109.6	F297	H10-F297 PolarHBondContact N-O 2.65Å
11	H	28.7	Very low	33.9	Very low	154 Å²	154	88.6 Å²	88.6	71%	0.713	48%	0.482	S	S	*	.			trans	-67.4	134.2	170.4	-79.1	-16.6	0	0	0	111.1
12	L	37.3	Very low	34.4	Very low	112 Å²	112	86.1 Å²	86.1	59%	0.586	48%	0.476	S	S	*	.			trans	-136.6	157.3	167.1	-73.1	174.4	0	0	0	108.2
13	P	31.4	Very low	35	Very low	119 Å²	119	90.9 Å²	90.9	77%	0.773	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-58.8	156.6	171.3	-21.5	33.7	0	0	0	112.1	A15	P13-A15 PolarHBondContact O-N 2.72Å
14	E	28.4	Very low	35.1	Very low	199 Å²	199	102.3 Å²	102.3	93%	0.93	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-57.4	119.9	-177.3	-62.8	-172.4	143.7	0	0	112.3
15	A	33.4	Very low	35.9	Very low	58 Å²	58	104.7 Å²	104.7	48%	0.479	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-85.6	145.9	171.5	0	0	0	0	0	110.5	P13 V17 F294	P13-A15 PolarHBondContact O-N 2.72Å; A15-V17 PolarHBondContact O-N 2.84Å; A15-F294 HydrophobicContact CB-CZ 4.4Å
16	P	31	Very low	36.6	Very low	134 Å²	134	107.2 Å²	107.2	87%	0.87	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-58.6	122.9	-175.8	-26.4	35.3	0	0	0	113.7	G18	P16-G18 PolarHBondContact O-N 2.76Å
17	V	34.9	Very low	37.7	Very low	153 Å²	153	111.2 Å²	111.2	93%	0.927	60%	0.596	S	S	*	*			trans	-76.6	109.4	178	178.6	0	0	0	0	110.5	A15	A15-V17 PolarHBondContact O-N 2.84Å
18	G	34.4	Very low	38.8	Very low	65 Å²	65	114.4 Å²	114.4	67%	0.67	62%	0.617	S	S	*	*			trans	123.9	101.3	153.7	0	0	0	0	0	116.3	P16	P16-G18 PolarHBondContact O-N 2.76Å
19	Q	33.5	Very low	40.7	Very low	162 Å²	162	113.9 Å²	113.9	76%	0.757	62%	0.617	S	S	*	*			trans	-85.2	125.7	132.8	-72.9	-171.3	-8.5	0	0	107.7	F21	Q19-F21 PolarHBondContact O-N 3.2Å
20	Q	34.3	Very low	43.1	Very low	164 Å²	164	115.5 Å²	115.5	77%	0.766	63%	0.63	S	S	*	*			trans	-74.4	118.7	166.2	-71.4	-173.5	-15.8	0	0	108.3	T22	Q20-T22 VanDerWaalsContact C-N 3.28Å; Q20-T22 HydrophobicContact CB-CG2 3.77Å; Q20-T22 PolarHBondContact O-N 2.67Å; Q20-T22 PolarHBondContact O-OG1 3.37Å
21	F	43.1	Very low	46.1	Very low	106 Å²	106	112.7 Å²	112.7	47%	0.465	62%	0.618	S	S	.	*			trans	-70.3	81.8	174.4	-64.4	-74.2	0	0	0	110.6	Q19 K23	Q19-F21 PolarHBondContact O-N 3.2Å; F21-K23 PolarHBondContact O-N 2.69Å
22	T	34.8	Very low	49.3	Very low	121 Å²	121	109 Å²	109	74%	0.742	60%	0.598	S	S	*	*			trans	-93	33.3	-170.1	47.2	0	0	0	0	114.7	Q20	Q20-T22 VanDerWaalsContact C-N 3.28Å; Q20-T22 HydrophobicContact CB-CG2 3.77Å; Q20-T22 PolarHBondContact O-N 2.67Å; Q20-T22 PolarHBondContact O-OG1 3.37Å
23	K	43.3	Very low	52	Low	128 Å²	128	103.8 Å²	103.8	56%	0.557	57%	0.571	S	S	*	*	S	Bend	trans	-93.7	128.9	165.1	-78	178.5	175.5	171.8	0	109.9	F21 S25 E286	F21-K23 PolarHBondContact O-N 2.69Å; K23-S25 PolarHBondContact O-N 2.73Å; K23-S25 VanDerWaalsContact O-N 3.16Å; K23-E286 IonicContact NZ-OE1 3.99Å; K23-E286 PolarHBondContact NZ-OE1 2.68Å; K23-E286 IonicContact NZ-OE2 2.75Å; K23-E286 PolarHBondContact NZ-OE2 2.84Å
24	R	47.4	Very low	55	Low	249 Å²	249	102.7 Å²	102.7	94%	0.94	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-54.9	120.7	179.9	-74.7	-179.6	173.6	175.7	-2.5	109.4	L26	R24-L26 PolarHBondContact O-N 3Å
25	S	50.2	Low	57.9	Low	64 Å²	64	97.4 Å²	97.4	45%	0.448	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-60.1	129.8	167.3	53.2	0	0	0	0	109.2	K23 Q226	K23-S25 PolarHBondContact O-N 2.73Å; K23-S25 VanDerWaalsContact O-N 3.16Å; S25-Q226 VanDerWaalsContact CB-NE2 3.33Å
26	L	57.7	Low	60.6	Low	74 Å²	74	98.8 Å²	98.8	39%	0.387	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-55.9	152.9	168.8	-66.6	160.9	0	0	0	109.8	R24 P46	R24-L26 PolarHBondContact O-N 3Å; L26-P46 HydrophobicContact CD1-CB 3.65Å
27	P	54.5	Low	63.4	Low	92 Å²	92	93.8 Å²	93.8	60%	0.597	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-58.8	152.2	175.8	26.7	-35	0	0	0	110.9	S29	P27-S29 PolarHBondContact O-N 3.1Å
28	P	61.3	Low	66.1	Low	82 Å²	82	93.9 Å²	93.9	53%	0.532	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-68.1	121.4	174.1	28.5	-32.8	0	0	0	109.3
29	S	70.1	Confident	68.8	Low	39 Å²	39	93.6 Å²	93.6	27%	0.273	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-73.1	167.9	-179.9	57.7	0	0	0	0	112.1	P27 E49	P27-S29 PolarHBondContact O-N 3.1Å; S29-E49 WeakPolarHBondContact CA-OE1 3.34Å; S29-E49 WeakPolarHBondContact CB-OE1 3.49Å
30	S	86.4	Confident	71.8	Confident	50 Å²	50	88.5 Å²	88.5	35%	0.35	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-56.9	140.2	165.1	-177.9	0	0	0	0	110.5	W32 H44	S30-W32 PolarHBondContact OG-N 3.15Å; S30-W32 PolarHBondContact OG-O 2.88Å; S30-H44 PolarHBondContact O-CE1 3.15Å; S30-H44 PolarHBondContact O-ND1 3.08Å
31	I	92.6	Very high	74.7	Confident	41 Å²	41	80.8 Å²	80.8	21%	0.21	45%	0.446	C	S	.	.	S	Bend	trans	-86.7	-15.9	164	69.5	170.4	0	0	0	112.1	I41 C42 L70 L233 W234	I31-I41 HydrophobicContact CD1-CG2 4.33Å; I31-I41 HydrophobicContact CG1-CG2 4.31Å; I31-I41 CarbonylContact O-C 3.58Å; I31-I41 WeakPolarHBondContact O-CA 3.38Å; I31-I41 WeakPolarHBondContact O-CB 3.06Å; I31-I41 WeakPolarHBondContact O-CG2 3.44Å; I31-C42 PolarHBondContact O-N 3.28Å; I31-L70 HydrophobicContact CD1-CD2 4Å; I31-L233 HydrophobicContact CG2-CD2 3.95Å; I31-W234 HydrophobicContact CB-CH2 4.08Å; I31-W234 HydrophobicContact CB-CZ2 4.1Å; I31-W234 HydrophobicContact CG2-CH2 4.44Å; I31-W234 HydrophobicContact CG2-CZ2 3.96Å
32	W	94.6	Very high	77.3	Confident	76 Å²	76	75.8 Å²	75.8	29%	0.288	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-91	136	-171.8	-52.2	104	0	0	0	111.1	S30 S34 K38 H40 I41 H44 L61	S30-W32 PolarHBondContact OG-N 3.15Å; S30-W32 PolarHBondContact OG-O 2.88Å; W32-S34 PolarHBondContact O-N 3.34Å; W32-K38 HydrophobicContact CB-CG 4.38Å; W32-K38 HydrophobicContact CD2-CD 4.11Å; W32-K38 HydrophobicContact CD2-CG 3.78Å; W32-K38 HydrophobicContact CE3-CB 4.31Å; W32-K38 HydrophobicContact CE3-CD 4.38Å; W32-K38 HydrophobicContact CE3-CG 3.78Å; W32-K38 HydrophobicContact CG-CD 4.44Å; W32-K38 HydrophobicContact CG-CG 4.05Å; W32-K38 HydrophobicContact CZ3-CG 4.38Å; W32-H40 WeakPolarHBondContact CA-O 3.39Å; W32-I41 HydrophobicContact CE3-CG2 3.92Å; W32-I41 HydrophobicContact CZ3-CG2 3.99Å; W32-H44 PolarHBondContact O-CE1 3.49Å; W32-H44 VanDerWaalsContact O-CE1 3.26Å; W32-L61 HydrophobicContact CH2-CD1 4.16Å; W32-L61 HydrophobicContact CH2-CD2 4.16Å; W32-L61 HydrophobicContact CZ3-CD1 4.18Å; W32-L61 HydrophobicContact CZ3-CD2 3.89Å
33	C	95.6	Very high	80.2	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.02	39%	0.39	C	S	.	.			trans	-60.7	128.9	177.5	-56.8	0	0	0	0	111.7	V36 G37 H40 I41 C42 E52	C33-V36 HydrophobicContact CB-CB 4.19Å; C33-G37 WeakPolarHBondContact O-CA 3.34Å; C33-G37 PolarHBondContact O-N 2.94Å; C33-H40 HydrophobicContact CB-CB 4.14Å; C33-H40 PolarHBondContact N-O 2.66Å; C33-H40 VanDerWaalsContact SG-C 3.52Å; C33-H40 VanDerWaalsContact SG-CB 3.59Å; C33-I41 PolarHBondContact SG-O 3.35Å; C33-I41 VanDerWaalsContact SG-O 3.35Å; C33-C42 HydrophobicContact CB-CB 3.87Å; C33-C42 WeakPolarHBondContact CB-SG 3.21Å; C33-C42 WeakPolarHBondContact SG-CB 3.11Å; C33-C42 PolarHBondContact SG-N 3.46Å; C33-C42 VanDerWaalsContact SG-N 3.43Å; C33-C42 CovalentContact SG-SG 2.03Å; C33-C42 PolarHBondContact SG-SG 2.78Å; C33-E52 VanDerWaalsContact CA-OE1 3.3Å; C33-E52 WeakPolarHBondContact CA-OE1 3.46Å
34	S	92.9	Very high	82.7	Confident	96 Å²	96	64.3 Å²	64.3	67%	0.671	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-43.1	174.6	-59.2	0	0	0	0	111.5	W32 H44 E52	W32-S34 PolarHBondContact O-N 3.34Å; S34-H44 PolarHBondContact OG-NE2 3.12Å; S34-E52 WeakPolarHBondContact CB-OE1 3.45Å; S34-E52 PolarHBondContact N-OE1 3.18Å; S34-E52 PolarHBondContact N-OE2 3.43Å; S34-E52 PolarHBondContact OG-OE1 2.89Å
35	A	89.3	Confident	85	Confident	89 Å²	89	52.9 Å²	52.9	74%	0.736	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-27.6	-175.8	0	0	0	0	0	114.6	E52	A35-E52 PolarHBondContact N-OE2 3.11Å
36	V	90.2	Very high	86.9	Confident	87 Å²	87	51.1 Å²	51.1	53%	0.527	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-20.2	-173.5	-170.6	0	0	0	0	112.6	C33 H40	C33-V36 HydrophobicContact CB-CB 4.19Å; V36-H40 HydrophobicContact CB-CB 4.25Å; V36-H40 HydrophobicContact CG1-CB 4.15Å
37	G	89.6	Confident	88.4	Confident	29 Å²	29	50.5 Å²	50.5	30%	0.299	32%	0.32	S	S	.	.			trans	72.3	-165.6	-177.7	0	0	0	0	0	114.1	C33 H40	C33-G37 WeakPolarHBondContact O-CA 3.34Å; C33-G37 PolarHBondContact O-N 2.94Å; G37-H40 WeakPolarHBondContact O-CB 3.43Å; G37-H40 PolarHBondContact O-N 3.21Å
38	K	91.4	Very high	90.2	Very high	155 Å²	155	49.8 Å²	49.8	67%	0.674	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	146	-179.2	-60	-174.4	-178.1	173.8	0	110.7	W32	W32-K38 HydrophobicContact CB-CG 4.38Å; W32-K38 HydrophobicContact CD2-CD 4.11Å; W32-K38 HydrophobicContact CD2-CG 3.78Å; W32-K38 HydrophobicContact CE3-CB 4.31Å; W32-K38 HydrophobicContact CE3-CD 4.38Å; W32-K38 HydrophobicContact CE3-CG 3.78Å; W32-K38 HydrophobicContact CG-CD 4.44Å; W32-K38 HydrophobicContact CG-CG 4.05Å; W32-K38 HydrophobicContact CZ3-CG 4.38Å
39	P	92.7	Very high	91.5	Very high	59 Å²	59	49.8 Å²	49.8	38%	0.383	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.1	30.7	6	37.7	-34	0	0	0	113.7	V58 L61	P39-V58 HydrophobicContact CB-CG1 4.42Å; P39-V58 HydrophobicContact CG-CG1 3.88Å; P39-V58 HydrophobicContact CG-CG2 3.89Å; P39-L61 HydrophobicContact CB-CD2 3.93Å; P39-L61 WeakPolarHBondContact O-CD2 3.34Å
40	H	95.2	Very high	92.6	Very high	54 Å²	54	53.4 Å²	53.4	25%	0.25	33%	0.329	C	S	.	.			trans	-81.9	136.4	178.7	-70.4	-103.1	0	0	0	111.4	W32 C33 V36 G37 S55	W32-H40 WeakPolarHBondContact CA-O 3.39Å; C33-H40 HydrophobicContact CB-CB 4.14Å; C33-H40 PolarHBondContact N-O 2.66Å; C33-H40 VanDerWaalsContact SG-C 3.52Å; C33-H40 VanDerWaalsContact SG-CB 3.59Å; V36-H40 HydrophobicContact CB-CB 4.25Å; V36-H40 HydrophobicContact CG1-CB 4.15Å; G37-H40 WeakPolarHBondContact O-CB 3.43Å; G37-H40 PolarHBondContact O-N 3.21Å; H40-S55 WeakPolarHBondContact CB-OG 3.3Å; H40-S55 PolarHBondContact ND1-OG 2.89Å
41	I	96	Very high	93	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-110	142.7	173.4	63.1	175.7	0	0	0	111.9	I31 W32 C33 S55 F56 V60 L61 L64	I31-I41 HydrophobicContact CD1-CG2 4.33Å; I31-I41 HydrophobicContact CG1-CG2 4.31Å; I31-I41 CarbonylContact O-C 3.58Å; I31-I41 WeakPolarHBondContact O-CA 3.38Å; I31-I41 WeakPolarHBondContact O-CB 3.06Å; I31-I41 WeakPolarHBondContact O-CG2 3.44Å; W32-I41 HydrophobicContact CE3-CG2 3.92Å; W32-I41 HydrophobicContact CZ3-CG2 3.99Å; C33-I41 PolarHBondContact SG-O 3.35Å; C33-I41 VanDerWaalsContact SG-O 3.35Å; I41-S55 WeakPolarHBondContact O-CA 3.48Å; I41-S55 PolarHBondContact O-OG 2.04Å; I41-F56 HydrophobicContact CG1-CB 4.11Å; I41-F56 PolarHBondContact O-N 3.03Å; I41-V60 HydrophobicContact CD1-CG1 4.48Å; I41-L61 HydrophobicContact CD1-CB 4.36Å; I41-L61 HydrophobicContact CD1-CD1 4.48Å; I41-L61 HydrophobicContact CG2-CD1 3.78Å; I41-L64 HydrophobicContact CD1-CD1 3.47Å; I41-L64 VanDerWaalsContact CD1-CD1 3.47Å
42	C	97.2	Very high	93.1	Very high	2 Å²	2	55 Å²	55	1%	0.014	33%	0.332	C	S	.	.			trans	-144	144	-175	-72.9	0	0	0	0	109.3	I31 C33 H44 E52 G53 S55 W234	I31-C42 PolarHBondContact O-N 3.28Å; C33-C42 HydrophobicContact CB-CB 3.87Å; C33-C42 WeakPolarHBondContact CB-SG 3.21Å; C33-C42 WeakPolarHBondContact SG-CB 3.11Å; C33-C42 PolarHBondContact SG-N 3.46Å; C33-C42 VanDerWaalsContact SG-N 3.43Å; C33-C42 CovalentContact SG-SG 2.03Å; C33-C42 PolarHBondContact SG-SG 2.78Å; C42-H44 PolarHBondContact O-ND1 3.45Å; C42-E52 HydrophobicContact CB-CG 3.82Å; C42-G53 VanDerWaalsContact CB-O 3.25Å; C42-G53 WeakPolarHBondContact CB-O 3.42Å; C42-G53 PolarHBondContact SG-O 3.38Å; C42-S55 VanDerWaalsContact SG-CA 3.58Å; C42-W234 WeakPolarHBondContact O-CH2 3.47Å
43	Y	96.8	Very high	93.3	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.016	32%	0.32	C	S	.	.			trans	-82	130.5	175.2	-178.5	-90.2	0	0	0	110	P46 G53 Y198 I199 P200 W234 L278 N281	Y43-P46 WeakPolarHBondContact OH-CD 3.47Å; Y43-G53 PolarHBondContact O-N 3.25Å; Y43-Y198 WeakPolarHBondContact CB-O 3.49Å; Y43-I199 HydrophobicContact CD1-CG2 3.99Å; Y43-I199 HydrophobicContact CD2-CG2 4.4Å; Y43-I199 HydrophobicContact CE1-CG2 3.81Å; Y43-I199 HydrophobicContact CE2-CG2 4.27Å; Y43-I199 HydrophobicContact CG-CG2 4.27Å; Y43-P200 HydrophobicContact CD1-CG 4.21Å; Y43-W234 HydrophobicContact CD2-CB 4.11Å; Y43-W234 AromaticContact CD2-CD1 3.8Å; Y43-W234 AromaticContact CD2-CD2 3.69Å; Y43-W234 HydrophobicContact CD2-CD2 3.69Å; Y43-W234 AromaticContact CD2-CE2 3.96Å; Y43-W234 HydrophobicContact CD2-CE3 4.25Å; Y43-W234 AromaticContact CD2-CG 3.59Å; Y43-W234 HydrophobicContact CD2-CG 3.59Å; Y43-W234 HydrophobicContact CE2-CB 4.43Å; Y43-W234 AromaticContact CE2-CD1 3.91Å; Y43-W234 HydrophobicContact CE2-CG 4.03Å; Y43-L278 HydrophobicContact CD2-CD2 4.1Å; Y43-L278 HydrophobicContact CE2-CD2 3.43Å; Y43-L278 VanDerWaalsContact CE2-CD2 3.43Å; Y43-N281 WeakPolarHBondContact CE1-ND2 3.33Å; Y43-N281 VanDerWaalsContact OH-CB 3.25Å; Y43-N281 WeakPolarHBondContact OH-CB 3.29Å; Y43-N281 PolarHBondContact OH-ND2 3.4Å
44	H	95.5	Very high	93.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.019	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.7	173.6	-58.8	82.4	0	0	0	109.2	S30 W32 S34 C42 P46 E49 E52	S30-H44 PolarHBondContact O-CE1 3.15Å; S30-H44 PolarHBondContact O-ND1 3.08Å; W32-H44 PolarHBondContact O-CE1 3.49Å; W32-H44 VanDerWaalsContact O-CE1 3.26Å; S34-H44 PolarHBondContact OG-NE2 3.12Å; C42-H44 PolarHBondContact O-ND1 3.45Å; H44-P46 VanDerWaalsContact O-CD 3.3Å; H44-P46 WeakPolarHBondContact O-CD 3.49Å; H44-E49 HydrophobicContact CB-CB 4.4Å; H44-E49 HydrophobicContact CB-CG 4.49Å; H44-E49 PolarHBondContact CD2-O 3.49Å; H44-E52 IonicContact CD2-OE1 3.85Å; H44-E52 IonicContact CE1-OE1 3.59Å; H44-E52 IonicContact NE2-OE1 2.95Å; H44-E52 PolarHBondContact NE2-OE1 2.79Å
45	L	95.2	Very high	93.6	Very high	8 Å²	8	51 Å²	51	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	120.6	-178.3	-176.8	62.6	0	0	0	111.1	G47 N48 I51 N281	L45-G47 PolarHBondContact O-N 3.44Å; L45-G47 VanDerWaalsContact O-N 3.16Å; L45-N48 CarbonylContact O-C 3.55Å; L45-N48 PolarHBondContact O-N 3.45Å; L45-I51 HydrophobicContact CB-CB 4Å; L45-I51 HydrophobicContact CB-CG2 4.16Å; L45-I51 HydrophobicContact CD2-CB 4.34Å; L45-I51 HydrophobicContact CD2-CD1 4.01Å; L45-I51 HydrophobicContact CD2-CG2 4.29Å; L45-I51 PolarHBondContact N-O 3.33Å; L45-N281 HydrophobicContact CD1-CB 4.25Å
46	P	91	Very high	93.9	Very high	28 Å²	28	47 Å²	47	18%	0.182	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	123.3	177.4	-27.3	36.9	0	0	0	111.6	L26 Y43 H44	L26-P46 HydrophobicContact CD1-CB 3.65Å; Y43-P46 WeakPolarHBondContact OH-CD 3.47Å; H44-P46 VanDerWaalsContact O-CD 3.3Å; H44-P46 WeakPolarHBondContact O-CD 3.49Å
47	G	88.5	Confident	94.1	Very high	61 Å²	61	43.6 Å²	43.6	63%	0.629	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	-9.8	-179.1	0	0	0	0	0	114.7	L45	L45-G47 PolarHBondContact O-N 3.44Å; L45-G47 VanDerWaalsContact O-N 3.16Å
48	N	91.8	Very high	94.4	Very high	76 Å²	76	44.2 Å²	44.2	41%	0.406	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	77.4	167.3	-172.1	-6.1	0	0	0	110	L45 S50 I51	L45-N48 CarbonylContact O-C 3.55Å; L45-N48 PolarHBondContact O-N 3.45Å; N48-S50 PolarHBondContact O-N 2.95Å; N48-S50 VanDerWaalsContact O-N 3.1Å; N48-I51 HydrophobicContact CB-CD1 4.34Å; N48-I51 WeakPolarHBondContact ND2-CD1 3.46Å; N48-I51 PolarHBondContact O-N 2.86Å
49	E	89.4	Confident	94.6	Very high	83 Å²	83	42.8 Å²	42.8	39%	0.388	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	-13.3	-175.5	-62.5	-174	-174.5	0	0	113.7	S29 H44 I51	S29-E49 WeakPolarHBondContact CA-OE1 3.34Å; S29-E49 WeakPolarHBondContact CB-OE1 3.49Å; H44-E49 HydrophobicContact CB-CB 4.4Å; H44-E49 HydrophobicContact CB-CG 4.49Å; H44-E49 PolarHBondContact CD2-O 3.49Å; E49-I51 PolarHBondContact O-N 3.25Å
50	S	92.5	Very high	94.8	Very high	115 Å²	115	40.2 Å²	40.2	80%	0.804	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	-10.9	169.9	-54.4	0	0	0	0	113.4	N48	N48-S50 PolarHBondContact O-N 2.95Å; N48-S50 VanDerWaalsContact O-N 3.1Å
51	I	95.1	Very high	94.8	Very high	66 Å²	66	37.7 Å²	37.7	34%	0.338	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	95.4	172.2	-60.8	179.5	0	0	0	108.7	L45 N48 E49 P200	L45-I51 HydrophobicContact CB-CB 4Å; L45-I51 HydrophobicContact CB-CG2 4.16Å; L45-I51 HydrophobicContact CD2-CB 4.34Å; L45-I51 HydrophobicContact CD2-CD1 4.01Å; L45-I51 HydrophobicContact CD2-CG2 4.29Å; L45-I51 PolarHBondContact N-O 3.33Å; N48-I51 HydrophobicContact CB-CD1 4.34Å; N48-I51 WeakPolarHBondContact ND2-CD1 3.46Å; N48-I51 PolarHBondContact O-N 2.86Å; E49-I51 PolarHBondContact O-N 3.25Å; I51-P200 HydrophobicContact CG2-CB 3.59Å; I51-P200 HydrophobicContact CG2-CG 3.89Å
52	E	95.3	Very high	94.8	Very high	57 Å²	57	40.7 Å²	40.7	27%	0.266	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.1	178.7	170.5	161.4	-81.3	0	0	111.8	C33 S34 A35 C42 H44	C33-E52 VanDerWaalsContact CA-OE1 3.3Å; C33-E52 WeakPolarHBondContact CA-OE1 3.46Å; S34-E52 WeakPolarHBondContact CB-OE1 3.45Å; S34-E52 PolarHBondContact N-OE1 3.18Å; S34-E52 PolarHBondContact N-OE2 3.43Å; S34-E52 PolarHBondContact OG-OE1 2.89Å; A35-E52 PolarHBondContact N-OE2 3.11Å; C42-E52 HydrophobicContact CB-CG 3.82Å; H44-E52 IonicContact CD2-OE1 3.85Å; H44-E52 IonicContact CE1-OE1 3.59Å; H44-E52 IonicContact NE2-OE1 2.95Å; H44-E52 PolarHBondContact NE2-OE1 2.79Å
53	G	97.5	Very high	94.8	Very high	5 Å²	5	43.7 Å²	43.7	5%	0.052	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-88.8	157.9	170.3	0	0	0	0	0	113	C42 Y43	C42-G53 VanDerWaalsContact CB-O 3.25Å; C42-G53 WeakPolarHBondContact CB-O 3.42Å; C42-G53 PolarHBondContact SG-O 3.38Å; Y43-G53 PolarHBondContact O-N 3.25Å
54	S	97.2	Very high	94.7	Very high	60 Å²	60	43.5 Å²	43.5	42%	0.42	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-56.3	146.8	178.9	-57	0	0	0	0	112.6	F56 K197 Y198	S54-F56 PolarHBondContact O-N 3.36Å; S54-K197 WeakPolarHBondContact CB-O 3.41Å; S54-K197 PolarHBondContact N-O 2.61Å; S54-K197 PolarHBondContact OG-O 3.19Å; S54-Y198 WeakPolarHBondContact O-CD1 3.33Å
55	S	97.3	Very high	94.6	Very high	27 Å²	27	48.6 Å²	48.6	19%	0.189	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-63.8	128.9	-177	-169.7	0	0	0	0	113.5	H40 I41 C42 G57 K241	H40-S55 WeakPolarHBondContact CB-OG 3.3Å; H40-S55 PolarHBondContact ND1-OG 2.89Å; I41-S55 WeakPolarHBondContact O-CA 3.48Å; I41-S55 PolarHBondContact O-OG 2.04Å; C42-S55 VanDerWaalsContact SG-CA 3.58Å; S55-G57 PolarHBondContact O-N 3.27Å; S55-G57 PolarHBondContact OG-N 3.06Å; S55-G57 VanDerWaalsContact OG-N 3.16Å; S55-K241 PolarHBondContact O-NZ 2.77Å
56	F	97.4	Very high	94.4	Very high	4 Å²	4	54 Å²	54	2%	0.018	32%	0.317	C	S	.	.			trans	-66.3	-28.3	169	-65	-94.9	0	0	0	111.1	I41 S54 V60 I199 W234 A237 C238 K241	I41-F56 HydrophobicContact CG1-CB 4.11Å; I41-F56 PolarHBondContact O-N 3.03Å; S54-F56 PolarHBondContact O-N 3.36Å; F56-V60 HydrophobicContact CB-CB 4.01Å; F56-V60 HydrophobicContact CB-CG1 4Å; F56-V60 HydrophobicContact CB-CG2 4.18Å; F56-V60 WeakPolarHBondContact O-CG2 3.48Å; F56-I199 HydrophobicContact CZ-CG1 4.2Å; F56-W234 HydrophobicContact CD2-CE3 4.37Å; F56-W234 HydrophobicContact CD2-CZ3 4.06Å; F56-W234 AromaticContact CE2-CE3 3.84Å; F56-W234 HydrophobicContact CE2-CE3 3.84Å; F56-W234 AromaticContact CE2-CZ3 3.85Å; F56-W234 HydrophobicContact CE2-CZ3 3.85Å; F56-W234 HydrophobicContact CZ-CE3 4.25Å; F56-A237 HydrophobicContact CD1-CB 3.69Å; F56-A237 WeakPolarHBondContact CD1-O 3.45Å; F56-A237 HydrophobicContact CE1-CB 3.87Å; F56-A237 HydrophobicContact CG-CB 4.09Å; F56-A237 HydrophobicContact CZ-CB 4.41Å; F56-C238 HydrophobicContact CE1-CB 4.18Å; F56-K241 HydrophobicContact CD1-CB 3.9Å; F56-K241 HydrophobicContact CD1-CG 4.32Å; F56-K241 WeakPolarHBondContact O-CD 3.39Å; F56-K241 PolarHBondContact O-NZ 3.1Å
57	G	94	Very high	94.4	Very high	16 Å²	16	53.4 Å²	53.4	17%	0.165	31%	0.312	C	S	.	.			trans	91.2	163.9	176.1	0	0	0	0	0	114.2	S55 N59 V60 L61	S55-G57 PolarHBondContact O-N 3.27Å; S55-G57 PolarHBondContact OG-N 3.06Å; S55-G57 VanDerWaalsContact OG-N 3.16Å; G57-N59 PolarHBondContact O-N 3.32Å; G57-V60 PolarHBondContact O-N 3.08Å; G57-V60 VanDerWaalsContact O-N 3.14Å; G57-L61 PolarHBondContact O-N 3.39Å
58	V	95.3	Very high	94.4	Very high	43 Å²	43	51.4 Å²	51.4	26%	0.261	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-42	-169.2	-166.6	0	0	0	0	112.5	P39 V60 L61 D62	P39-V58 HydrophobicContact CB-CG1 4.42Å; P39-V58 HydrophobicContact CG-CG1 3.88Å; P39-V58 HydrophobicContact CG-CG2 3.89Å; V58-V60 PolarHBondContact O-N 3.16Å; V58-V60 VanDerWaalsContact O-N 3.16Å; V58-L61 WeakPolarHBondContact O-CA 3.5Å; V58-L61 VanDerWaalsContact O-CB 3.3Å; V58-L61 WeakPolarHBondContact O-CB 3.26Å; V58-L61 PolarHBondContact O-N 2.66Å; V58-D62 PolarHBondContact O-N 3.06Å
59	N	95.6	Very high	94.2	Very high	124 Å²	124	47.9 Å²	47.9	66%	0.663	27%	0.272	S	S	*	.	H	α-helix	trans	-57.5	-34.6	178.7	-56.7	15.7	0	0	0	112.3	G57 D62 Y63	G57-N59 PolarHBondContact O-N 3.32Å; N59-D62 PolarHBondContact O-N 3.04Å; N59-Y63 WeakPolarHBondContact O-CD2 3.42Å; N59-Y63 PolarHBondContact O-N 3.18Å
60	V	97.4	Very high	94.1	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.036	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-42.2	176.1	180	0	0	0	0	110.6	I41 F56 G57 V58 D62 Y63 L64 A237 L240 K241	I41-V60 HydrophobicContact CD1-CG1 4.48Å; F56-V60 HydrophobicContact CB-CB 4.01Å; F56-V60 HydrophobicContact CB-CG1 4Å; F56-V60 HydrophobicContact CB-CG2 4.18Å; F56-V60 WeakPolarHBondContact O-CG2 3.48Å; G57-V60 PolarHBondContact O-N 3.08Å; G57-V60 VanDerWaalsContact O-N 3.14Å; V58-V60 PolarHBondContact O-N 3.16Å; V58-V60 VanDerWaalsContact O-N 3.16Å; V60-D62 VanDerWaalsContact C-N 3.27Å; V60-D62 PolarHBondContact O-N 3.22Å; V60-Y63 PolarHBondContact O-N 3.4Å; V60-L64 HydrophobicContact CG1-CD1 4.05Å; V60-L64 HydrophobicContact CG1-CG 4.44Å; V60-L64 VanDerWaalsContact O-CG 3.25Å; V60-L64 WeakPolarHBondContact O-CG 3.36Å; V60-L64 PolarHBondContact O-N 2.91Å; V60-A237 HydrophobicContact CG1-CB 3.86Å; V60-L240 HydrophobicContact CG1-CB 4.18Å; V60-L240 HydrophobicContact CG2-CB 4.33Å; V60-K241 HydrophobicContact CG2-CB 4.49Å
61	L	95.9	Very high	93.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-56.4	-41.5	172.6	177.8	75	0	0	0	111.5	W32 P39 I41 G57 V58 L64 K65 L70	W32-L61 HydrophobicContact CH2-CD1 4.16Å; W32-L61 HydrophobicContact CH2-CD2 4.16Å; W32-L61 HydrophobicContact CZ3-CD1 4.18Å; W32-L61 HydrophobicContact CZ3-CD2 3.89Å; P39-L61 HydrophobicContact CB-CD2 3.93Å; P39-L61 WeakPolarHBondContact O-CD2 3.34Å; I41-L61 HydrophobicContact CD1-CB 4.36Å; I41-L61 HydrophobicContact CD1-CD1 4.48Å; I41-L61 HydrophobicContact CG2-CD1 3.78Å; G57-L61 PolarHBondContact O-N 3.39Å; V58-L61 WeakPolarHBondContact O-CA 3.5Å; V58-L61 VanDerWaalsContact O-CB 3.3Å; V58-L61 WeakPolarHBondContact O-CB 3.26Å; V58-L61 PolarHBondContact O-N 2.66Å; L61-L64 CarbonylContact O-C 3.59Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 3.12Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L61-K65 WeakPolarHBondContact O-CG 3.39Å; L61-K65 PolarHBondContact O-N 3.45Å; L61-L70 HydrophobicContact CD1-CD1 3.49Å; L61-L70 VanDerWaalsContact CD1-CD1 3.49Å; L61-L70 HydrophobicContact CD1-CD2 4.1Å; L61-L70 HydrophobicContact CD1-CG 4.45Å; L61-L70 HydrophobicContact CG-CD1 4.37Å
62	D	95.7	Very high	92.6	Very high	65 Å²	65	43 Å²	43	35%	0.348	24%	0.24	S	C	.	.	H	α-helix	trans	-70.7	-34.4	-177.9	-66.6	-35.2	0	0	0	113.4	V58 N59 V60 K65 T66	V58-D62 PolarHBondContact O-N 3.06Å; N59-D62 PolarHBondContact O-N 3.04Å; V60-D62 VanDerWaalsContact C-N 3.27Å; V60-D62 PolarHBondContact O-N 3.22Å; D62-K65 PolarHBondContact O-N 2.98Å; D62-K65 WeakPolarHBondContact OD1-CD 3.36Å; D62-K65 WeakPolarHBondContact OD1-CE 3.33Å; D62-K65 IonicContact OD1-NZ 2.71Å; D62-K65 PolarHBondContact OD1-NZ 2.8Å; D62-T66 WeakPolarHBondContact O-CB 3.16Å; D62-T66 PolarHBondContact O-N 3.2Å; D62-T66 PolarHBondContact O-OG1 3.08Å
63	Y	96.2	Very high	91.8	Very high	65 Å²	65	46.5 Å²	46.5	26%	0.255	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-40.9	165.8	-69.3	-56.8	0	0	0	112.1	N59 V60 K65 T66 L67 K148 Y149 P150 L240	N59-Y63 WeakPolarHBondContact O-CD2 3.42Å; N59-Y63 PolarHBondContact O-N 3.18Å; V60-Y63 PolarHBondContact O-N 3.4Å; Y63-K65 VanDerWaalsContact C-N 3.35Å; Y63-K65 PolarHBondContact O-N 3.34Å; Y63-T66 WeakPolarHBondContact O-CB 3.35Å; Y63-T66 PolarHBondContact O-N 3.12Å; Y63-T66 VanDerWaalsContact O-N 3.08Å; Y63-L67 WeakPolarHBondContact O-CG 3.38Å; Y63-L67 PolarHBondContact O-N 2.83Å; Y63-K148 VanDerWaalsContact CE1-O 3.23Å; Y63-K148 WeakPolarHBondContact CE1-O 3.47Å; Y63-Y149 HydrophobicContact CD1-CD1 4.44Å; Y63-P150 HydrophobicContact CE2-CG 3.62Å; Y63-L240 HydrophobicContact CD2-CB 4.48Å; Y63-L240 HydrophobicContact CD2-CD1 4.22Å; Y63-L240 HydrophobicContact CD2-CD2 4.19Å; Y63-L240 HydrophobicContact CG-CD1 4.1Å; Y63-L240 HydrophobicContact CG-CD2 4.36Å
64	L	95	Very high	90.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-32	178.1	-65.1	169.2	0	0	0	112.7	I41 V60 L61 G68 L69 L70 L233 V236 A237	I41-L64 HydrophobicContact CD1-CD1 3.47Å; I41-L64 VanDerWaalsContact CD1-CD1 3.47Å; V60-L64 HydrophobicContact CG1-CD1 4.05Å; V60-L64 HydrophobicContact CG1-CG 4.44Å; V60-L64 VanDerWaalsContact O-CG 3.25Å; V60-L64 WeakPolarHBondContact O-CG 3.36Å; V60-L64 PolarHBondContact O-N 2.91Å; L61-L64 CarbonylContact O-C 3.59Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 3.12Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L64-G68 PolarHBondContact O-N 3.2Å; L64-L69 HydrophobicContact CD2-CB 4.3Å; L64-L69 HydrophobicContact CD2-CD1 3.57Å; L64-L69 PolarHBondContact O-N 2.91Å; L64-L70 HydrophobicContact CB-CD2 4.11Å; L64-L70 HydrophobicContact CB-CG 4.35Å; L64-L233 HydrophobicContact CD1-CD1 3.86Å; L64-L233 HydrophobicContact CD2-CD1 4.09Å; L64-L233 HydrophobicContact CG-CD1 4.37Å; L64-V236 HydrophobicContact CD2-CB 4.05Å; L64-V236 HydrophobicContact CD2-CG1 3.59Å; L64-A237 HydrophobicContact CD1-CB 4.14Å
65	K	93.3	Very high	89.8	Confident	110 Å²	110	54.5 Å²	54.5	48%	0.478	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-47.7	165.3	-69.4	171.2	-170	158	0	110.9	L61 D62 Y63 G68 L70	L61-K65 WeakPolarHBondContact O-CG 3.39Å; L61-K65 PolarHBondContact O-N 3.45Å; D62-K65 PolarHBondContact O-N 2.98Å; D62-K65 WeakPolarHBondContact OD1-CD 3.36Å; D62-K65 WeakPolarHBondContact OD1-CE 3.33Å; D62-K65 IonicContact OD1-NZ 2.71Å; D62-K65 PolarHBondContact OD1-NZ 2.8Å; Y63-K65 VanDerWaalsContact C-N 3.35Å; Y63-K65 PolarHBondContact O-N 3.34Å; K65-G68 VanDerWaalsContact O-CA 3.31Å; K65-G68 WeakPolarHBondContact O-CA 3.26Å; K65-G68 PolarHBondContact O-N 3.24Å; K65-L70 HydrophobicContact CB-CD1 4.48Å; K65-L70 HydrophobicContact CG-CD1 3.54Å
66	T	91.6	Very high	89	Confident	122 Å²	122	55.6 Å²	55.6	75%	0.748	29%	0.286	S	S	*	.	H	α-helix	trans	-67.7	-38.7	-173.8	-58.1	0	0	0	0	113.4	D62 Y63 G68	D62-T66 WeakPolarHBondContact O-CB 3.16Å; D62-T66 PolarHBondContact O-N 3.2Å; D62-T66 PolarHBondContact O-OG1 3.08Å; Y63-T66 WeakPolarHBondContact O-CB 3.35Å; Y63-T66 PolarHBondContact O-N 3.12Å; Y63-T66 VanDerWaalsContact O-N 3.08Å; T66-G68 PolarHBondContact O-N 2.83Å
67	L	90.1	Very high	87.8	Confident	16 Å²	16	58 Å²	58	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-68.1	-20.9	169.3	-64.8	168.1	0	0	0	111.8	Y63 L69 R75 Y149 N168 V236 L240	Y63-L67 WeakPolarHBondContact O-CG 3.38Å; Y63-L67 PolarHBondContact O-N 2.83Å; L67-L69 HydrophobicContact CB-CD1 4.04Å; L67-L69 HydrophobicContact CB-CG 4.11Å; L67-L69 HydrophobicContact CD1-CD1 3.91Å; L67-R75 PolarHBondContact O-NH1 2.87Å; L67-Y149 HydrophobicContact CD2-CE1 4.27Å; L67-N168 WeakPolarHBondContact CD2-OD1 3.07Å; L67-V236 HydrophobicContact CD1-CG1 3.57Å; L67-L240 HydrophobicContact CD1-CD1 4.43Å
68	G	88.1	Confident	87.1	Confident	18 Å²	18	60 Å²	60	19%	0.186	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	83.1	-165.1	0	0	0	0	0	109.3	L64 K65 T66 Q72 R75	L64-G68 PolarHBondContact O-N 3.2Å; K65-G68 VanDerWaalsContact O-CA 3.31Å; K65-G68 WeakPolarHBondContact O-CA 3.26Å; K65-G68 PolarHBondContact O-N 3.24Å; T66-G68 PolarHBondContact O-N 2.83Å; G68-Q72 PolarHBondContact O-NE2 2.87Å; G68-Q72 PolarHBondContact O-OE1 2.88Å; G68-R75 PolarHBondContact O-NH1 3.26Å
69	L	88.9	Confident	86	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.016	31%	0.305	C	S	.	.			trans	-124.4	-5.4	173.9	-73.7	170	0	0	0	113.1	L64 L67 A167 L228 I232 L233 V236	L64-L69 HydrophobicContact CD2-CB 4.3Å; L64-L69 HydrophobicContact CD2-CD1 3.57Å; L64-L69 PolarHBondContact O-N 2.91Å; L67-L69 HydrophobicContact CB-CD1 4.04Å; L67-L69 HydrophobicContact CB-CG 4.11Å; L67-L69 HydrophobicContact CD1-CD1 3.91Å; L69-A167 HydrophobicContact CD1-CB 3.98Å; L69-A167 HydrophobicContact CD2-CB 4.17Å; L69-L228 HydrophobicContact CD2-CD2 4.31Å; L69-I232 HydrophobicContact CD2-CG2 4.27Å; L69-L233 HydrophobicContact CB-CD1 4.12Å; L69-V236 HydrophobicContact CD1-CB 4.1Å; L69-V236 HydrophobicContact CD1-CG1 3.96Å; L69-V236 HydrophobicContact CD1-CG2 4.06Å
70	L	87.4	Confident	85	Confident	67 Å²	67	57.9 Å²	57.9	35%	0.351	30%	0.304	S	S	.	.	S	Bend	trans	-92.4	-22.5	-176.5	-55.4	179.2	0	0	0	114.4	I31 L61 L64 K65 L233	I31-L70 HydrophobicContact CD1-CD2 4Å; L61-L70 HydrophobicContact CD1-CD1 3.49Å; L61-L70 VanDerWaalsContact CD1-CD1 3.49Å; L61-L70 HydrophobicContact CD1-CD2 4.1Å; L61-L70 HydrophobicContact CD1-CG 4.45Å; L61-L70 HydrophobicContact CG-CD1 4.37Å; L64-L70 HydrophobicContact CB-CD2 4.11Å; L64-L70 HydrophobicContact CB-CG 4.35Å; K65-L70 HydrophobicContact CB-CD1 4.48Å; K65-L70 HydrophobicContact CG-CD1 3.54Å; L70-L233 HydrophobicContact CD2-CD1 3.84Å
71	D	81.3	Confident	84.2	Confident	87 Å²	87	59.3 Å²	59.3	47%	0.465	31%	0.314	S	S	.	.			trans	-134.4	128.3	160.6	-163.1	-20	0	0	0	107.5	K73	D71-K73 VanDerWaalsContact OD1-CD 3.28Å; D71-K73 WeakPolarHBondContact OD1-CD 3.37Å; D71-K73 WeakPolarHBondContact OD1-CE 3.43Å; D71-K73 VanDerWaalsContact OD1-CG 3.29Å; D71-K73 WeakPolarHBondContact OD1-CG 3.37Å; D71-K73 PolarHBondContact OD1-N 3.48Å; D71-K73 IonicContact OD1-NZ 3.72Å; D71-K73 IonicContact OD2-NZ 3.47Å; D71-K73 PolarHBondContact OD2-NZ 3.09Å
72	Q	74.5	Confident	83.3	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.028	32%	0.319	C	S	.	.			trans	-138.3	15	-172.3	-66.7	-69.8	-102.4	0	0	112.7	G68 D74 R75 Y76 L228	G68-Q72 PolarHBondContact O-NE2 2.87Å; G68-Q72 PolarHBondContact O-OE1 2.88Å; Q72-D74 VanDerWaalsContact C-N 3.31Å; Q72-D74 PolarHBondContact O-N 2.97Å; Q72-R75 VanDerWaalsContact NE2-NH1 3.16Å; Q72-R75 CarbonylContact O-C 3.18Å; Q72-R75 VanDerWaalsContact O-CA 3.29Å; Q72-R75 WeakPolarHBondContact O-CA 3.32Å; Q72-R75 WeakPolarHBondContact O-CB 3.39Å; Q72-R75 PolarHBondContact O-N 2.82Å; Q72-Y76 HydrophobicContact CB-CD1 4.3Å; Q72-Y76 HydrophobicContact CB-CE1 3.37Å; Q72-Y76 WeakPolarHBondContact CB-OH 3.48Å; Q72-Y76 WeakPolarHBondContact O-CD1 3.49Å; Q72-Y76 WeakPolarHBondContact O-CE1 3.42Å; Q72-Y76 PolarHBondContact O-N 3Å; Q72-L228 HydrophobicContact CB-CB 4.38Å; Q72-L228 HydrophobicContact CB-CD1 3.8Å; Q72-L228 HydrophobicContact CG-CB 4.22Å; Q72-L228 HydrophobicContact CG-CD1 3.93Å
73	K	77.2	Confident	82.7	Confident	131 Å²	131	61.6 Å²	61.6	57%	0.57	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-51	-46.8	-176.5	-67.9	157.8	-165.3	147.2	0	113.3	D71 R75 Y76	D71-K73 VanDerWaalsContact OD1-CD 3.28Å; D71-K73 WeakPolarHBondContact OD1-CD 3.37Å; D71-K73 WeakPolarHBondContact OD1-CE 3.43Å; D71-K73 VanDerWaalsContact OD1-CG 3.29Å; D71-K73 WeakPolarHBondContact OD1-CG 3.37Å; D71-K73 PolarHBondContact OD1-N 3.48Å; D71-K73 IonicContact OD1-NZ 3.72Å; D71-K73 IonicContact OD2-NZ 3.47Å; D71-K73 PolarHBondContact OD2-NZ 3.09Å; K73-R75 PolarHBondContact O-N 3.22Å; K73-Y76 HydrophobicContact CG-CE2 4.27Å; K73-Y76 WeakPolarHBondContact O-CB 3.47Å; K73-Y76 PolarHBondContact O-N 3.41Å
74	D	78.7	Confident	82	Confident	165 Å²	165	67 Å²	67	88%	0.882	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-71.6	-8.9	179.9	-42.9	-44.4	0	0	0	113.1	Q72	Q72-D74 VanDerWaalsContact C-N 3.31Å; Q72-D74 PolarHBondContact O-N 2.97Å
75	R	74.4	Confident	81.4	Confident	69 Å²	69	71.9 Å²	71.9	26%	0.26	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-106	18.6	172	-48.4	-169.9	-164.1	160.4	-3.3	111.7	L67 G68 Q72 K73 I77 L228	L67-R75 PolarHBondContact O-NH1 2.87Å; G68-R75 PolarHBondContact O-NH1 3.26Å; Q72-R75 VanDerWaalsContact NE2-NH1 3.16Å; Q72-R75 CarbonylContact O-C 3.18Å; Q72-R75 VanDerWaalsContact O-CA 3.29Å; Q72-R75 WeakPolarHBondContact O-CA 3.32Å; Q72-R75 WeakPolarHBondContact O-CB 3.39Å; Q72-R75 PolarHBondContact O-N 2.82Å; K73-R75 PolarHBondContact O-N 3.22Å; R75-I77 WeakPolarHBondContact O-CD1 3.22Å; R75-L228 HydrophobicContact CB-CD1 4.33Å
76	Y	80.5	Confident	80.9	Confident	50 Å²	50	71.8 Å²	71.8	20%	0.196	37%	0.372	C	S	.	.			trans	-106.6	147.8	170.3	-55.8	-20.2	0	0	0	111.5	Q72 K73 K225 L228 E229	Q72-Y76 HydrophobicContact CB-CD1 4.3Å; Q72-Y76 HydrophobicContact CB-CE1 3.37Å; Q72-Y76 WeakPolarHBondContact CB-OH 3.48Å; Q72-Y76 WeakPolarHBondContact O-CD1 3.49Å; Q72-Y76 WeakPolarHBondContact O-CE1 3.42Å; Q72-Y76 PolarHBondContact O-N 3Å; K73-Y76 HydrophobicContact CG-CE2 4.27Å; K73-Y76 WeakPolarHBondContact O-CB 3.47Å; K73-Y76 PolarHBondContact O-N 3.41Å; Y76-K225 HydrophobicContact CD1-CB 4.27Å; Y76-K225 HydrophobicContact CD2-CB 3.82Å; Y76-K225 HydrophobicContact CD2-CG 4.25Å; Y76-K225 VanDerWaalsContact CE1-CA 3.44Å; Y76-K225 HydrophobicContact CE1-CB 4.14Å; Y76-K225 HydrophobicContact CE2-CB 3.67Å; Y76-K225 HydrophobicContact CE2-CD 4.1Å; Y76-K225 HydrophobicContact CE2-CG 3.63Å; Y76-K225 HydrophobicContact CG-CB 4.15Å; Y76-L228 HydrophobicContact CD1-CD1 4.26Å; Y76-L228 HydrophobicContact CE1-CB 4.24Å; Y76-L228 HydrophobicContact CE1-CD1 3.96Å; Y76-E229 VanDerWaalsContact OH-CD 3.29Å; Y76-E229 WeakPolarHBondContact OH-CG 3.39Å; Y76-E229 PolarHBondContact OH-OE1 3.44Å
77	I	73	Confident	80.4	Confident	53 Å²	53	69.5 Å²	69.5	27%	0.272	36%	0.361	S	S	.	.			trans	-160.1	-157.8	-153.5	52.2	-130.2	0	0	0	111.4	R75 P173 K174 R223	R75-I77 WeakPolarHBondContact O-CD1 3.22Å; I77-P173 HydrophobicContact CB-CB 4.14Å; I77-P173 HydrophobicContact CB-CG 3.59Å; I77-P173 HydrophobicContact CD1-CB 3.99Å; I77-P173 HydrophobicContact CD1-CG 3.51Å; I77-P173 HydrophobicContact CG1-CB 3.63Å; I77-P173 HydrophobicContact CG1-CG 3.42Å; I77-P173 VanDerWaalsContact CG1-CG 3.42Å; I77-P173 HydrophobicContact CG2-CG 3.85Å; I77-K174 HydrophobicContact CG1-CB 4Å; I77-K174 HydrophobicContact CG1-CG 3.9Å; I77-K174 VanDerWaalsContact CG1-N 3.27Å; I77-K174 WeakPolarHBondContact O-CD 3.44Å; I77-K174 WeakPolarHBondContact O-CE 3.48Å; I77-K174 WeakPolarHBondContact O-CG 3.44Å; I77-K174 PolarHBondContact O-NZ 3.18Å; I77-R223 HydrophobicContact CD1-CB 3.97Å; I77-R223 WeakPolarHBondContact CD1-O 3.32Å
78	V	78.2	Confident	80	Confident	58 Å²	58	71.2 Å²	71.2	35%	0.352	37%	0.373	S	S	.	.			trans	-145.3	138.9	169.1	-174.6	0	0	0	0	111.3	S81 F82	V78-S81 PolarHBondContact O-OG 3.22Å; V78-F82 WeakPolarHBondContact O-CB 3.23Å; V78-F82 PolarHBondContact O-N 3.36Å
79	P	74	Confident	79.9	Confident	33 Å²	33	72.5 Å²	72.5	21%	0.214	38%	0.377	C	S	.	.	H	α-helix	trans	-74.2	-46.1	-176.3	7.9	4.8	0	0	0	111.2	S81 F82 L83 P173 K174	P79-S81 PolarHBondContact O-N 3Å; P79-F82 PolarHBondContact O-N 3.3Å; P79-L83 WeakPolarHBondContact O-CB 3.38Å; P79-L83 WeakPolarHBondContact O-CG 3.45Å; P79-L83 PolarHBondContact O-N 3.01Å; P79-P173 WeakPolarHBondContact CA-O 3.23Å; P79-P173 WeakPolarHBondContact CB-O 3.5Å; P79-K174 HydrophobicContact CB-CB 4.42Å; P79-K174 VanDerWaalsContact CD-CB 3.45Å; P79-K174 HydrophobicContact CG-CB 3.7Å; P79-K174 WeakPolarHBondContact CG-O 3.27Å
80	S	74.6	Confident	80	Confident	90 Å²	90	74.6 Å²	74.6	63%	0.629	39%	0.386	S	S	*	.	H	α-helix	trans	-70.2	-5.8	177.8	53.2	0	0	0	0	114.7	R84	S80-R84 PolarHBondContact O-NH1 2.95Å
81	S	78.9	Confident	80.2	Confident	37 Å²	37	74.5 Å²	74.5	26%	0.259	39%	0.385	S	S	.	.	H	α-helix	trans	-94.4	-53.8	161.8	74	0	0	0	0	110.9	V78 P79 L83 R84 D85	V78-S81 PolarHBondContact O-OG 3.22Å; P79-S81 PolarHBondContact O-N 3Å; S81-L83 PolarHBondContact O-N 2.71Å; S81-R84 WeakPolarHBondContact O-CB 3.45Å; S81-R84 PolarHBondContact O-N 3.28Å; S81-R84 VanDerWaalsContact O-N 3.15Å; S81-R84 PolarHBondContact O-NE 2.73Å; S81-D85 VanDerWaalsContact O-OD2 3.11Å
82	F	78.5	Confident	80.7	Confident	26 Å²	26	71.3 Å²	71.3	11%	0.114	37%	0.369	C	S	.	.	H	α-helix	trans	-57.7	-44.1	-176.1	174.8	-102.6	0	0	0	113.9	V78 P79 R84 D85 H86 P173	V78-F82 WeakPolarHBondContact O-CB 3.23Å; V78-F82 PolarHBondContact O-N 3.36Å; P79-F82 PolarHBondContact O-N 3.3Å; F82-R84 PolarHBondContact O-N 3.41Å; F82-D85 CarbonylContact O-C 3.45Å; F82-D85 PolarHBondContact O-N 2.96Å; F82-H86 HydrophobicContact CD1-CB 4.1Å; F82-H86 HydrophobicContact CD2-CB 3.38Å; F82-H86 AromaticContact CD2-CD2 3.76Å; F82-H86 AromaticContact CD2-CE1 3.86Å; F82-H86 AromaticContact CD2-CG 3.26Å; F82-H86 AromaticContact CD2-ND1 3.31Å; F82-H86 VanDerWaalsContact CD2-ND1 3.31Å; F82-H86 WeakPolarHBondContact CD2-ND1 3.14Å; F82-H86 HydrophobicContact CE1-CB 3.89Å; F82-H86 HydrophobicContact CE2-CB 3.16Å; F82-H86 AromaticContact CE2-CD2 3.4Å; F82-H86 VanDerWaalsContact CE2-CD2 3.4Å; F82-H86 WeakPolarHBondContact CE2-CD2 3.47Å; F82-H86 AromaticContact CE2-CG 3.22Å; F82-H86 AromaticContact CE2-ND1 3.78Å; F82-H86 HydrophobicContact CG-CB 3.9Å; F82-H86 HydrophobicContact CZ-CB 3.44Å; F82-H86 VanDerWaalsContact CZ-CB 3.44Å; F82-H86 PolarHBondContact O-N 2.84Å; F82-H86 VanDerWaalsContact O-O 3.12Å; F82-P173 HydrophobicContact CB-CB 3.24Å; F82-P173 HydrophobicContact CB-CG 3.52Å; F82-P173 HydrophobicContact CD1-CB 3.49Å; F82-P173 VanDerWaalsContact CD1-CB 3.49Å; F82-P173 HydrophobicContact CD1-CG 3.9Å; F82-P173 HydrophobicContact CD2-CB 3.8Å; F82-P173 HydrophobicContact CD2-CG 3.24Å; F82-P173 HydrophobicContact CE1-CB 4.13Å; F82-P173 HydrophobicContact CE1-CG 4.31Å; F82-P173 HydrophobicContact CE2-CB 4.36Å; F82-P173 HydrophobicContact CE2-CG 3.68Å; F82-P173 HydrophobicContact CG-CB 3.26Å; F82-P173 HydrophobicContact CG-CG 3.31Å; F82-P173 HydrophobicContact CZ-CG 4.2Å
83	L	81.5	Confident	81.7	Confident	87 Å²	87	71.2 Å²	71.2	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-67.5	-5.6	-176.8	-69	173.5	0	0	0	114.2	P79 S81 F222	P79-L83 WeakPolarHBondContact O-CB 3.38Å; P79-L83 WeakPolarHBondContact O-CG 3.45Å; P79-L83 PolarHBondContact O-N 3.01Å; S81-L83 PolarHBondContact O-N 2.71Å; L83-F222 HydrophobicContact CD1-CE1 4.16Å; L83-F222 HydrophobicContact CD1-CZ 4.01Å; L83-F222 HydrophobicContact CD2-CE1 4.18Å; L83-F222 HydrophobicContact CG-CE1 4.39Å
84	R	82	Confident	82.6	Confident	179 Å²	179	65 Å²	65	68%	0.675	34%	0.343	S	S	*	.	H	α-helix	trans	-87.8	-32.8	167.3	-49.4	179.3	-50.2	-132.5	-1	112.1	S80 S81 F82	S80-R84 PolarHBondContact O-NH1 2.95Å; S81-R84 WeakPolarHBondContact O-CB 3.45Å; S81-R84 PolarHBondContact O-N 3.28Å; S81-R84 VanDerWaalsContact O-N 3.15Å; S81-R84 PolarHBondContact O-NE 2.73Å; F82-R84 PolarHBondContact O-N 3.41Å
85	D	82	Confident	83.4	Confident	102 Å²	102	58.2 Å²	58.2	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-107.8	-13.4	-164.6	-48.5	-32.3	0	0	0	111.5	S81 F82	S81-D85 VanDerWaalsContact O-OD2 3.11Å; F82-D85 CarbonylContact O-C 3.45Å; F82-D85 PolarHBondContact O-N 2.96Å
86	H	82.7	Confident	84.4	Confident	108 Å²	108	58.9 Å²	58.9	50%	0.5	32%	0.315	S	S	.	.			trans	-156.5	151.1	-173.7	-51.9	70	0	0	0	111.9	F82	F82-H86 HydrophobicContact CD1-CB 4.1Å; F82-H86 HydrophobicContact CD2-CB 3.38Å; F82-H86 AromaticContact CD2-CD2 3.76Å; F82-H86 AromaticContact CD2-CE1 3.86Å; F82-H86 AromaticContact CD2-CG 3.26Å; F82-H86 AromaticContact CD2-ND1 3.31Å; F82-H86 VanDerWaalsContact CD2-ND1 3.31Å; F82-H86 WeakPolarHBondContact CD2-ND1 3.14Å; F82-H86 HydrophobicContact CE1-CB 3.89Å; F82-H86 HydrophobicContact CE2-CB 3.16Å; F82-H86 AromaticContact CE2-CD2 3.4Å; F82-H86 VanDerWaalsContact CE2-CD2 3.4Å; F82-H86 WeakPolarHBondContact CE2-CD2 3.47Å; F82-H86 AromaticContact CE2-CG 3.22Å; F82-H86 AromaticContact CE2-ND1 3.78Å; F82-H86 HydrophobicContact CG-CB 3.9Å; F82-H86 HydrophobicContact CZ-CB 3.44Å; F82-H86 VanDerWaalsContact CZ-CB 3.44Å; F82-H86 PolarHBondContact O-N 2.84Å; F82-H86 VanDerWaalsContact O-O 3.12Å
87	S	82.3	Confident	85	Confident	74 Å²	74	61.2 Å²	61.2	52%	0.517	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-102.8	148	178.7	-49	0	0	0	0	113.3	Q116	S87-Q116 PolarHBondContact O-NE2 3.09Å
88	P	81.1	Confident	86	Confident	52 Å²	52	59.7 Å²	59.7	34%	0.338	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-73.2	127.9	-174.5	29.4	-35.3	0	0	0	113.2	Q116	P88-Q116 VanDerWaalsContact C-NE2 3.29Å; P88-Q116 WeakPolarHBondContact O-CG 3.5Å; P88-Q116 PolarHBondContact O-NE2 3.26Å
89	V	86	Confident	86.7	Confident	46 Å²	46	57.8 Å²	57.8	28%	0.279	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-76.1	127.5	176.9	178.6	0	0	0	0	110.3	K117 V119 A171	V89-K117 HydrophobicContact CG1-CG 4.42Å; V89-V119 HydrophobicContact CG1-CG2 3.77Å; V89-A171 HydrophobicContact CG2-CB 4.13Å
90	F	91.1	Very high	87.7	Confident	46 Å²	46	61.8 Å²	61.8	20%	0.202	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	138.2	173.4	-68.6	-71	0	0	0	110.9	L109 F113 Q116 K117 I118 V119	F90-L109 HydrophobicContact CB-CD1 3.89Å; F90-L109 HydrophobicContact CD1-CD1 4.26Å; F90-L109 HydrophobicContact CD1-CD2 3.57Å; F90-L109 HydrophobicContact CD2-CD1 4.39Å; F90-L109 HydrophobicContact CD2-CD2 3.96Å; F90-L109 HydrophobicContact CE1-CD2 3.53Å; F90-L109 HydrophobicContact CE2-CD2 3.91Å; F90-L109 HydrophobicContact CG-CD1 3.93Å; F90-L109 HydrophobicContact CG-CD2 3.8Å; F90-L109 HydrophobicContact CG-CG 4.42Å; F90-L109 HydrophobicContact CZ-CD2 3.71Å; F90-F113 HydrophobicContact CE2-CB 3.77Å; F90-F113 HydrophobicContact CE2-CD1 4.13Å; F90-F113 AromaticContact CE2-CD2 3.95Å; F90-F113 HydrophobicContact CE2-CD2 3.95Å; F90-F113 AromaticContact CE2-CG 3.66Å; F90-F113 HydrophobicContact CE2-CG 3.66Å; F90-F113 HydrophobicContact CZ-CB 4.37Å; F90-F113 HydrophobicContact CZ-CD1 4.02Å; F90-F113 AromaticContact CZ-CD2 3.73Å; F90-F113 HydrophobicContact CZ-CD2 3.73Å; F90-F113 HydrophobicContact CZ-CE1 4.28Å; F90-F113 HydrophobicContact CZ-CE2 4.06Å; F90-F113 AromaticContact CZ-CG 3.75Å; F90-F113 HydrophobicContact CZ-CG 3.75Å; F90-F113 HydrophobicContact CZ-CZ 4.32Å; F90-Q116 HydrophobicContact CD2-CB 4.17Å; F90-Q116 HydrophobicContact CD2-CG 3.69Å; F90-Q116 HydrophobicContact CE2-CB 3.96Å; F90-Q116 HydrophobicContact CE2-CG 3.59Å; F90-K117 PolarHBondContact N-O 3.25Å; F90-I118 HydrophobicContact CB-CG1 4.21Å; F90-I118 HydrophobicContact CD2-CG1 4.5Å; F90-V119 PolarHBondContact O-N 3.09Å
91	L	91.2	Very high	88.5	Confident	65 Å²	65	58 Å²	58	34%	0.34	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129.2	173	-68.6	-177.5	0	0	0	109.8	V119 Y121 I165 N169	L91-V119 HydrophobicContact CD2-CB 3.83Å; L91-V119 HydrophobicContact CD2-CG1 4.29Å; L91-Y121 HydrophobicContact CD2-CE2 4.08Å; L91-I165 HydrophobicContact CD1-CG2 3.95Å; L91-N169 HydrophobicContact CD1-CB 4.01Å; L91-N169 HydrophobicContact CD2-CB 4.03Å; L91-N169 VanDerWaalsContact CD2-ND2 3.3Å; L91-N169 WeakPolarHBondContact CD2-ND2 3.35Å
92	T	93.2	Very high	89.2	Confident	21 Å²	21	56.3 Å²	56.3	13%	0.129	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	167.6	167.7	-168.3	0	0	0	0	109.9	I118 V119 F120 Y121	T92-I118 HydrophobicContact CG2-CG2 3.98Å; T92-V119 PolarHBondContact N-O 2.83Å; T92-F120 HydrophobicContact CG2-CB 4.23Å; T92-F120 HydrophobicContact CG2-CD2 3.58Å; T92-F120 HydrophobicContact CG2-CE2 4.3Å; T92-F120 HydrophobicContact CG2-CG 4.19Å; T92-F120 WeakPolarHBondContact O-CA 3.3Å; T92-Y121 PolarHBondContact O-N 2.62Å
93	A	94.2	Very high	89.9	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	148.4	177.8	0	0	0	0	0	110.1	P4 Y121 L123 W161 I165	P4-A93 WeakPolarHBondContact CB-O 3.08Å; P4-A93 WeakPolarHBondContact CG-O 3.41Å; A93-Y121 CarbonylContact C-O 3.46Å; A93-Y121 WeakPolarHBondContact CA-O 3.17Å; A93-Y121 WeakPolarHBondContact CB-O 3.31Å; A93-L123 HydrophobicContact CB-CD1 3.88Å; A93-L123 HydrophobicContact CB-CD2 4.33Å; A93-L123 HydrophobicContact CB-CG 4.05Å; A93-W161 HydrophobicContact CB-CE3 4.18Å; A93-W161 HydrophobicContact CB-CH2 4.08Å; A93-W161 HydrophobicContact CB-CZ3 3.54Å; A93-I165 HydrophobicContact CB-CD1 3.92Å
94	A	95.7	Very high	90.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	158	169.7	0	0	0	0	0	113.1	P4 F120 Y121 L123	P4-A94 HydrophobicContact CG-CB 4.04Å; A94-F120 HydrophobicContact CB-CZ 3.84Å; A94-Y121 PolarHBondContact N-O 3.33Å; A94-Y121 VanDerWaalsContact N-O 3.11Å; A94-L123 WeakPolarHBondContact O-CB 3.5Å; A94-L123 PolarHBondContact O-N 2.81Å
95	D	96.2	Very high	90.8	Very high	23 Å²	23	43.8 Å²	43.8	12%	0.123	23%	0.232	C	C	.	.			trans	-92.2	178.4	162.1	58.8	11.7	0	0	0	110.4	V97 Y98 Y99 L123 L156	D95-V97 PolarHBondContact O-N 3.34Å; D95-V97 VanDerWaalsContact O-N 3.14Å; D95-V97 PolarHBondContact OD1-N 3.21Å; D95-Y98 PolarHBondContact O-N 3.14Å; D95-Y98 VanDerWaalsContact OD1-CD2 3.23Å; D95-Y98 WeakPolarHBondContact OD1-CD2 3.33Å; D95-Y98 PolarHBondContact OD1-N 3.01Å; D95-Y99 PolarHBondContact O-N 2.8Å; D95-L123 HydrophobicContact CB-CB 4.38Å; D95-L156 HydrophobicContact CB-CD1 3.66Å; D95-L156 WeakPolarHBondContact OD2-CD1 3.22Å
96	N	96.1	Very high	91.4	Very high	82 Å²	82	38.9 Å²	38.9	44%	0.439	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.5	176.2	64.9	-13.2	0	0	0	114.8	G124 T126 Q129	N96-G124 WeakPolarHBondContact CB-O 3.49Å; N96-G124 PolarHBondContact N-O 3.24Å; N96-T126 HydrophobicContact CB-CG2 4.36Å; N96-Q129 VanDerWaalsContact CA-OE1 3.25Å; N96-Q129 PolarHBondContact O-NE2 2.68Å; N96-Q129 VanDerWaalsContact O-NE2 3.12Å
97	V	93.2	Very high	91.9	Very high	99 Å²	99	35.7 Å²	35.7	60%	0.6	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-46.6	179	176.5	0	0	0	0	111.4	D95	D95-V97 PolarHBondContact O-N 3.34Å; D95-V97 VanDerWaalsContact O-N 3.14Å; D95-V97 PolarHBondContact OD1-N 3.21Å
98	Y	92.7	Very high	92.3	Very high	22 Å²	22	32.2 Å²	32.2	9%	0.086	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.8	-179.6	-64.2	-66.8	0	0	0	114.2	L2 Q3 P4 D95 R100 P101 S102 H303	L2-Y98 PolarHBondContact O-OH 2.84Å; L2-Y98 VanDerWaalsContact O-OH 3.09Å; Q3-Y98 HydrophobicContact CB-CD1 4.23Å; Q3-Y98 HydrophobicContact CB-CE1 3.96Å; Q3-Y98 HydrophobicContact CG-CD1 4.31Å; Q3-Y98 HydrophobicContact CG-CE1 3.6Å; P4-Y98 VanDerWaalsContact CD-CG 3.41Å; P4-Y98 HydrophobicContact CG-CD2 4.4Å; P4-Y98 HydrophobicContact CG-CG 4.1Å; D95-Y98 PolarHBondContact O-N 3.14Å; D95-Y98 VanDerWaalsContact OD1-CD2 3.23Å; D95-Y98 WeakPolarHBondContact OD1-CD2 3.33Å; D95-Y98 PolarHBondContact OD1-N 3.01Å; Y98-R100 PolarHBondContact O-N 2.78Å; Y98-P101 VanDerWaalsContact O-CD 3.3Å; Y98-P101 WeakPolarHBondContact O-CD 3.28Å; Y98-S102 WeakPolarHBondContact O-CB 3.35Å; Y98-S102 PolarHBondContact O-N 3.06Å; Y98-H303 AromaticContact CE1-CE1 3.84Å
99	Y	94.6	Very high	92.8	Very high	18 Å²	18	30.5 Å²	30.5	7%	0.071	15%	0.154	C	C	.	.	H	α-helix	trans	-44.7	-56.9	172.8	170.5	-104.8	0	0	0	113.5	D95 S102 L103 L125 Q129 H132 I133	D95-Y99 PolarHBondContact O-N 2.8Å; Y99-S102 WeakPolarHBondContact CA-OG 3.46Å; Y99-S102 WeakPolarHBondContact O-CB 2.99Å; Y99-S102 PolarHBondContact O-N 3.21Å; Y99-S102 PolarHBondContact O-OG 3.4Å; Y99-L103 HydrophobicContact CE1-CD1 3.98Å; Y99-L103 HydrophobicContact CE2-CD2 4.18Å; Y99-L103 HydrophobicContact CE2-CG 4.45Å; Y99-L103 PolarHBondContact O-N 3Å; Y99-L125 HydrophobicContact CD2-CD1 4.45Å; Y99-L125 HydrophobicContact CD2-CD2 3.74Å; Y99-L125 HydrophobicContact CG-CD2 4.22Å; Y99-Q129 HydrophobicContact CD1-CB 4.46Å; Y99-Q129 HydrophobicContact CD1-CG 3.75Å; Y99-Q129 VanDerWaalsContact CD1-NE2 3.33Å; Y99-Q129 HydrophobicContact CD2-CB 3.77Å; Y99-Q129 HydrophobicContact CD2-CG 3.96Å; Y99-Q129 HydrophobicContact CE1-CB 4.3Å; Y99-Q129 HydrophobicContact CE1-CG 3.7Å; Y99-Q129 HydrophobicContact CE2-CB 3.57Å; Y99-Q129 HydrophobicContact CE2-CG 3.9Å; Y99-Q129 HydrophobicContact CG-CB 4.19Å; Y99-Q129 HydrophobicContact CG-CG 3.85Å; Y99-H132 AromaticContact CZ-ND1 3.93Å; Y99-H132 PolarHBondContact OH-ND1 2.67Å; Y99-I133 HydrophobicContact CD2-CD1 4.32Å; Y99-I133 HydrophobicContact CE2-CD1 3.86Å; Y99-I133 HydrophobicContact CE2-CG1 4.03Å
100	R	93.1	Very high	93.2	Very high	117 Å²	117	28.7 Å²	28.7	44%	0.442	14%	0.142	S	C	.	.	H	α-helix	trans	-59.8	-48.6	-178.7	-76.4	-78.1	-174	-171.1	-2.4	112.5	Y98 S102 L103 V305 D307	Y98-R100 PolarHBondContact O-N 2.78Å; R100-S102 VanDerWaalsContact C-N 3.3Å; R100-S102 PolarHBondContact O-N 3.18Å; R100-L103 WeakPolarHBondContact O-CB 3.49Å; R100-L103 PolarHBondContact O-N 3.41Å; R100-V305 HydrophobicContact CB-CB 4.42Å; R100-V305 HydrophobicContact CB-CG1 3.87Å; R100-V305 HydrophobicContact CB-CG2 3.64Å; R100-V305 HydrophobicContact CG-CG1 4.27Å; R100-D307 WeakPolarHBondContact CD-OD1 3.45Å; R100-D307 IonicContact CZ-OD1 2.71Å; R100-D307 IonicContact CZ-OD2 3.45Å; R100-D307 IonicContact NE-OD1 2.68Å; R100-D307 IonicContact NE-OD2 2.71Å; R100-D307 IonicContact NH1-OD1 2.61Å; R100-D307 PolarHBondContact NH1-OD1 2.7Å; R100-D307 IonicContact NH1-OD2 3.8Å; R100-D307 PolarHBondContact NH1-OD2 3.45Å
101	P	92.1	Very high	93.3	Very high	11 Å²	11	30.6 Å²	30.6	7%	0.071	15%	0.152	C	C	.	.	H	α-helix	trans	-58.4	-32.9	169.6	-29.2	35.5	0	0	0	115.5	Y98 M104 A105 Q304 V305	Y98-P101 VanDerWaalsContact O-CD 3.3Å; Y98-P101 WeakPolarHBondContact O-CD 3.28Å; P101-M104 WeakPolarHBondContact O-CB 3.12Å; P101-M104 PolarHBondContact O-N 2.93Å; P101-A105 PolarHBondContact O-N 2.85Å; P101-Q304 WeakPolarHBondContact CA-O 3.11Å; P101-V305 HydrophobicContact CG-CG2 4.21Å
102	S	93.1	Very high	93.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-70.1	-31.8	177.8	76.2	0	0	0	0	112.8	Y98 Y99 R100 M104 A105 I106 F120	Y98-S102 WeakPolarHBondContact O-CB 3.35Å; Y98-S102 PolarHBondContact O-N 3.06Å; Y99-S102 WeakPolarHBondContact CA-OG 3.46Å; Y99-S102 WeakPolarHBondContact O-CB 2.99Å; Y99-S102 PolarHBondContact O-N 3.21Å; Y99-S102 PolarHBondContact O-OG 3.4Å; R100-S102 VanDerWaalsContact C-N 3.3Å; R100-S102 PolarHBondContact O-N 3.18Å; S102-M104 VanDerWaalsContact C-N 3.27Å; S102-M104 PolarHBondContact O-N 2.98Å; S102-A105 WeakPolarHBondContact O-CB 3.29Å; S102-A105 PolarHBondContact O-N 2.87Å; S102-A105 VanDerWaalsContact O-N 3.12Å; S102-I106 WeakPolarHBondContact O-CG1 3.35Å; S102-I106 PolarHBondContact O-N 2.91Å; S102-F120 WeakPolarHBondContact OG-CE2 2.94Å
103	L	94.2	Very high	93.2	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-38.6	170.6	-62.7	178.9	0	0	0	111.3	Y99 R100 A105 I106 R107 I133 L136 P311	Y99-L103 HydrophobicContact CE1-CD1 3.98Å; Y99-L103 HydrophobicContact CE2-CD2 4.18Å; Y99-L103 HydrophobicContact CE2-CG 4.45Å; Y99-L103 PolarHBondContact O-N 3Å; R100-L103 WeakPolarHBondContact O-CB 3.49Å; R100-L103 PolarHBondContact O-N 3.41Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.92Å; L103-I106 HydrophobicContact CD2-CD1 4.47Å; L103-I106 PolarHBondContact O-N 3.41Å; L103-R107 WeakPolarHBondContact O-CB 3.42Å; L103-R107 PolarHBondContact O-N 2.84Å; L103-I133 HydrophobicContact CD2-CD1 3.71Å; L103-L136 HydrophobicContact CD2-CD1 3.87Å; L103-P311 HydrophobicContact CB-CG 3.95Å; L103-P311 HydrophobicContact CD2-CG 4.22Å; L103-P311 WeakPolarHBondContact O-CG 3.44Å
104	M	92.1	Very high	93	Very high	18 Å²	18	35.6 Å²	35.6	9%	0.089	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-36.9	175.9	-59.9	-64.9	94.4	0	0	112.1	L6 P101 S102 R107 S108 N306	L6-M104 HydrophobicContact CD1-CB 4.07Å; L6-M104 WeakPolarHBondContact CD1-O 3.38Å; L6-M104 HydrophobicContact CD2-CB 4.01Å; L6-M104 HydrophobicContact CG-CB 4.49Å; P101-M104 WeakPolarHBondContact O-CB 3.12Å; P101-M104 PolarHBondContact O-N 2.93Å; S102-M104 VanDerWaalsContact C-N 3.27Å; S102-M104 PolarHBondContact O-N 2.98Å; M104-R107 PolarHBondContact O-N 2.76Å; M104-S108 PolarHBondContact O-N 3.33Å; M104-S108 VanDerWaalsContact O-N 3.08Å; M104-N306 WeakPolarHBondContact CE-O 3.38Å; M104-N306 HydrophobicContact SD-CB 3.62Å; M104-N306 PolarHBondContact SD-N 3.38Å
105	A	90.4	Very high	92.8	Very high	6 Å²	6	44.3 Å²	44.3	5%	0.05	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-45.3	173.9	0	0	0	0	0	111.2	P101 S102 L103 R107 S108 L109	P101-A105 PolarHBondContact O-N 2.85Å; S102-A105 WeakPolarHBondContact O-CB 3.29Å; S102-A105 PolarHBondContact O-N 2.87Å; S102-A105 VanDerWaalsContact O-N 3.12Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.92Å; A105-R107 PolarHBondContact O-N 3.01Å; A105-S108 PolarHBondContact O-N 3.11Å; A105-L109 VanDerWaalsContact O-CG 3.26Å; A105-L109 WeakPolarHBondContact O-CG 3.35Å; A105-L109 PolarHBondContact O-N 2.75Å; A105-L109 VanDerWaalsContact O-N 3.09Å
106	I	93.7	Very high	92.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-44.2	176.4	-61.5	167	0	0	0	110.7	S102 L103 S108 L109 Q110 I118 F120 I133 L136 V139 P311	S102-I106 WeakPolarHBondContact O-CG1 3.35Å; S102-I106 PolarHBondContact O-N 2.91Å; L103-I106 HydrophobicContact CD2-CD1 4.47Å; L103-I106 PolarHBondContact O-N 3.41Å; I106-S108 PolarHBondContact O-N 3.41Å; I106-L109 PolarHBondContact O-N 3Å; I106-Q110 HydrophobicContact CG2-CG 4.19Å; I106-Q110 WeakPolarHBondContact O-CG 3.46Å; I106-Q110 PolarHBondContact O-N 3.48Å; I106-I118 HydrophobicContact CG2-CD1 3.96Å; I106-F120 HydrophobicContact CD1-CD2 3.79Å; I106-F120 HydrophobicContact CD1-CE2 4.02Å; I106-I133 HydrophobicContact CD1-CD1 4.06Å; I106-L136 HydrophobicContact CD1-CD1 3.65Å; I106-L136 HydrophobicContact CG2-CD1 4.06Å; I106-V139 HydrophobicContact CG2-CG2 3.85Å; I106-P311 HydrophobicContact CB-CG 4.19Å; I106-P311 HydrophobicContact CG2-CB 4.09Å; I106-P311 HydrophobicContact CG2-CG 4.21Å
107	R	93.5	Very high	92.3	Very high	41 Å²	41	45.2 Å²	45.2	16%	0.155	21%	0.213	C	C	.	.	H	α-helix	trans	-56.2	-52.7	177.7	176.1	61.6	-175.1	-171.6	21.8	111.7	L103 M104 A105 L109 Q110 E111 P310 P311 F312	L103-R107 WeakPolarHBondContact O-CB 3.42Å; L103-R107 PolarHBondContact O-N 2.84Å; M104-R107 PolarHBondContact O-N 2.76Å; A105-R107 PolarHBondContact O-N 3.01Å; R107-L109 VanDerWaalsContact C-N 3.29Å; R107-L109 PolarHBondContact O-N 2.83Å; R107-Q110 PolarHBondContact O-N 2.82Å; R107-E111 IonicContact CZ-OE1 3.28Å; R107-E111 VanDerWaalsContact NE-CD 3.3Å; R107-E111 IonicContact NE-OE1 2.73Å; R107-E111 PolarHBondContact NE-OE1 2.97Å; R107-E111 IonicContact NH2-OE1 3.41Å; R107-E111 PolarHBondContact NH2-OE1 3.23Å; R107-E111 WeakPolarHBondContact O-CG 3.06Å; R107-E111 PolarHBondContact O-N 3.42Å; R107-P310 WeakPolarHBondContact CD-O 3.04Å; R107-P310 PolarHBondContact NH1-O 3.39Å; R107-P311 HydrophobicContact CB-CG 4.21Å; R107-F312 VanDerWaalsContact NH1-CZ 3.3Å
108	S	91.5	Very high	92.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-56.3	-42.8	177.2	172.1	0	0	0	0	112.4	V7 L8 L9 M104 A105 I106 E111 H112	V7-S108 WeakPolarHBondContact O-CB 3.17Å; V7-S108 PolarHBondContact O-OG 2.9Å; L8-S108 WeakPolarHBondContact CA-OG 3.5Å; L9-S108 PolarHBondContact N-OG 2.79Å; M104-S108 PolarHBondContact O-N 3.33Å; M104-S108 VanDerWaalsContact O-N 3.08Å; A105-S108 PolarHBondContact O-N 3.11Å; I106-S108 PolarHBondContact O-N 3.41Å; S108-E111 PolarHBondContact O-N 2.92Å; S108-H112 PolarHBondContact O-N 3.25Å; S108-H112 VanDerWaalsContact O-N 3.15Å; S108-H112 PolarHBondContact O-ND1 3.39Å
109	L	91.9	Very high	92.2	Very high	16 Å²	16	39.8 Å²	39.8	8%	0.084	18%	0.182	C	C	.	.	H	α-helix	trans	-67.1	-42.2	178.3	-68.7	174.2	0	0	0	112.1	L9 F90 A105 I106 R107 E111 F113 I118	L9-L109 HydrophobicContact CD1-CD2 3.99Å; F90-L109 HydrophobicContact CB-CD1 3.89Å; F90-L109 HydrophobicContact CD1-CD1 4.26Å; F90-L109 HydrophobicContact CD1-CD2 3.57Å; F90-L109 HydrophobicContact CD2-CD1 4.39Å; F90-L109 HydrophobicContact CD2-CD2 3.96Å; F90-L109 HydrophobicContact CE1-CD2 3.53Å; F90-L109 HydrophobicContact CE2-CD2 3.91Å; F90-L109 HydrophobicContact CG-CD1 3.93Å; F90-L109 HydrophobicContact CG-CD2 3.8Å; F90-L109 HydrophobicContact CG-CG 4.42Å; F90-L109 HydrophobicContact CZ-CD2 3.71Å; A105-L109 VanDerWaalsContact O-CG 3.26Å; A105-L109 WeakPolarHBondContact O-CG 3.35Å; A105-L109 PolarHBondContact O-N 2.75Å; A105-L109 VanDerWaalsContact O-N 3.09Å; I106-L109 PolarHBondContact O-N 3Å; R107-L109 VanDerWaalsContact C-N 3.29Å; R107-L109 PolarHBondContact O-N 2.83Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-F113 CarbonylContact O-C 3.51Å; L109-F113 WeakPolarHBondContact O-CA 3.48Å; L109-F113 WeakPolarHBondContact O-CB 3.35Å; L109-F113 PolarHBondContact O-N 2.93Å; L109-I118 HydrophobicContact CB-CD1 3.75Å; L109-I118 HydrophobicContact CB-CG1 4.42Å; L109-I118 HydrophobicContact CD1-CD1 4.13Å; L109-I118 HydrophobicContact CD1-CG1 4.27Å
110	Q	93.6	Very high	92.3	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-66.7	-33.1	175.8	-70.7	174.1	-29.9	0	0	112.6	I106 R107 P114 I118 C137 P311 F312	I106-Q110 HydrophobicContact CG2-CG 4.19Å; I106-Q110 WeakPolarHBondContact O-CG 3.46Å; I106-Q110 PolarHBondContact O-N 3.48Å; R107-Q110 PolarHBondContact O-N 2.82Å; Q110-P114 WeakPolarHBondContact O-CA 3.34Å; Q110-P114 WeakPolarHBondContact O-CB 3.24Å; Q110-I118 HydrophobicContact CG-CD1 4.28Å; Q110-C137 PolarHBondContact NE2-O 2.68Å; Q110-P311 VanDerWaalsContact OE1-CA 3.28Å; Q110-F312 HydrophobicContact CB-CD2 3.9Å; Q110-F312 HydrophobicContact CB-CE2 4.33Å; Q110-F312 PolarHBondContact NE2-O 3.2Å
111	E	92.3	Very high	92.4	Very high	86 Å²	86	33.9 Å²	33.9	40%	0.402	16%	0.16	S	C	.	.	H	α-helix	trans	-69.7	-42.3	176.7	-74.8	175.8	154	0	0	112.6	R107 S108 L109 F312	R107-E111 IonicContact CZ-OE1 3.28Å; R107-E111 VanDerWaalsContact NE-CD 3.3Å; R107-E111 IonicContact NE-OE1 2.73Å; R107-E111 PolarHBondContact NE-OE1 2.97Å; R107-E111 IonicContact NH2-OE1 3.41Å; R107-E111 PolarHBondContact NH2-OE1 3.23Å; R107-E111 WeakPolarHBondContact O-CG 3.06Å; R107-E111 PolarHBondContact O-N 3.42Å; S108-E111 PolarHBondContact O-N 2.92Å; L109-E111 VanDerWaalsContact C-N 3.34Å; E111-F312 HydrophobicContact CG-CE2 4.41Å
112	H	90.6	Very high	92.6	Very high	46 Å²	46	33.9 Å²	33.9	21%	0.213	16%	0.159	C	C	.	.	H	α-helix	trans	-93.6	-18.8	-174.9	-63.1	90.1	0	0	0	113.8	L9 S108	L9-H112 HydrophobicContact CB-CB 4.43Å; L9-H112 PolarHBondContact O-CE1 3.08Å; L9-H112 PolarHBondContact O-NE2 3.33Å; L9-H112 VanDerWaalsContact O-NE2 3.1Å; S108-H112 PolarHBondContact O-N 3.25Å; S108-H112 VanDerWaalsContact O-N 3.15Å; S108-H112 PolarHBondContact O-ND1 3.39Å
113	F	91.3	Very high	92.8	Very high	81 Å²	81	34.4 Å²	34.4	36%	0.355	16%	0.162	S	C	.	.	S	Bend	trans	-140	61.2	-177.6	-55.8	-93.8	0	0	0	110.6	L9 F90 L109 F115 Q116	L9-F113 HydrophobicContact CB-CE2 4.45Å; L9-F113 HydrophobicContact CD1-CD2 4.19Å; L9-F113 HydrophobicContact CD1-CE2 3.43Å; L9-F113 VanDerWaalsContact CD1-CE2 3.43Å; L9-F113 HydrophobicContact CD1-CZ 4.21Å; F90-F113 HydrophobicContact CE2-CB 3.77Å; F90-F113 HydrophobicContact CE2-CD1 4.13Å; F90-F113 AromaticContact CE2-CD2 3.95Å; F90-F113 HydrophobicContact CE2-CD2 3.95Å; F90-F113 AromaticContact CE2-CG 3.66Å; F90-F113 HydrophobicContact CE2-CG 3.66Å; F90-F113 HydrophobicContact CZ-CB 4.37Å; F90-F113 HydrophobicContact CZ-CD1 4.02Å; F90-F113 AromaticContact CZ-CD2 3.73Å; F90-F113 HydrophobicContact CZ-CD2 3.73Å; F90-F113 HydrophobicContact CZ-CE1 4.28Å; F90-F113 HydrophobicContact CZ-CE2 4.06Å; F90-F113 AromaticContact CZ-CG 3.75Å; F90-F113 HydrophobicContact CZ-CG 3.75Å; F90-F113 HydrophobicContact CZ-CZ 4.32Å; L109-F113 CarbonylContact O-C 3.51Å; L109-F113 WeakPolarHBondContact O-CA 3.48Å; L109-F113 WeakPolarHBondContact O-CB 3.35Å; L109-F113 PolarHBondContact O-N 2.93Å; F113-F115 PolarHBondContact O-N 2.97Å; F113-Q116 HydrophobicContact CB-CB 3.67Å; F113-Q116 WeakPolarHBondContact O-CB 3.29Å; F113-Q116 PolarHBondContact O-N 3.36Å
114	P	91	Very high	92.9	Very high	67 Å²	67	36.1 Å²	36.1	44%	0.435	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-13.9	-165.3	23.2	-35.5	0	0	0	116.5	Q110 N138	Q110-P114 WeakPolarHBondContact O-CA 3.34Å; Q110-P114 WeakPolarHBondContact O-CB 3.24Å; P114-N138 PolarHBondContact O-ND2 2.84Å
115	F	91.7	Very high	93.2	Very high	183 Å²	183	36.4 Å²	36.4	80%	0.803	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.3	3.1	176.7	-52.4	-64.1	0	0	0	113.3	F113	F113-F115 PolarHBondContact O-N 2.97Å
116	Q	89.9	Confident	93.6	Very high	30 Å²	30	39.2 Å²	39.2	14%	0.14	20%	0.199	C	C	.	.			trans	-91.4	132.8	-168	-163.2	53.4	38.3	0	0	112.7	S87 P88 F90 F113 I118 N138	S87-Q116 PolarHBondContact O-NE2 3.09Å; P88-Q116 VanDerWaalsContact C-NE2 3.29Å; P88-Q116 WeakPolarHBondContact O-CG 3.5Å; P88-Q116 PolarHBondContact O-NE2 3.26Å; F90-Q116 HydrophobicContact CD2-CB 4.17Å; F90-Q116 HydrophobicContact CD2-CG 3.69Å; F90-Q116 HydrophobicContact CE2-CB 3.96Å; F90-Q116 HydrophobicContact CE2-CG 3.59Å; F113-Q116 HydrophobicContact CB-CB 3.67Å; F113-Q116 WeakPolarHBondContact O-CB 3.29Å; F113-Q116 PolarHBondContact O-N 3.36Å; Q116-I118 PolarHBondContact O-N 3.47Å; Q116-N138 WeakPolarHBondContact O-CB 3.39Å
117	K	91.3	Very high	93.8	Very high	95 Å²	95	47.4 Å²	47.4	41%	0.413	24%	0.237	S	C	.	.			trans	-66.3	128.7	179.4	-174.4	169.7	-177.8	172.7	0	111.5	V89 F90 V119 E140	V89-K117 HydrophobicContact CG1-CG 4.42Å; F90-K117 PolarHBondContact N-O 3.25Å; K117-V119 HydrophobicContact CG-CG2 4.49Å; K117-E140 WeakPolarHBondContact CE-OE2 3.43Å; K117-E140 IonicContact NZ-OE2 3.15Å; K117-E140 PolarHBondContact NZ-OE2 3.15Å
118	I	93.1	Very high	94	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.6	172.3	-57.6	170.1	0	0	0	107.1	F90 T92 I106 L109 Q110 Q116 N138 V139 E140	F90-I118 HydrophobicContact CB-CG1 4.21Å; F90-I118 HydrophobicContact CD2-CG1 4.5Å; T92-I118 HydrophobicContact CG2-CG2 3.98Å; I106-I118 HydrophobicContact CG2-CD1 3.96Å; L109-I118 HydrophobicContact CB-CD1 3.75Å; L109-I118 HydrophobicContact CB-CG1 4.42Å; L109-I118 HydrophobicContact CD1-CD1 4.13Å; L109-I118 HydrophobicContact CD1-CG1 4.27Å; Q110-I118 HydrophobicContact CG-CD1 4.28Å; Q116-I118 PolarHBondContact O-N 3.47Å; I118-N138 PolarHBondContact N-O 3.38Å; I118-V139 HydrophobicContact CB-CG2 4.2Å; I118-V139 HydrophobicContact CD1-CG2 4.33Å; I118-V139 HydrophobicContact CG2-CG2 4.47Å; I118-V139 CarbonylContact O-C 3.5Å; I118-V139 VanDerWaalsContact O-CA 3.32Å; I118-V139 WeakPolarHBondContact O-CA 3.36Å; I118-E140 PolarHBondContact O-N 3.37Å
119	V	92.2	Very high	94.3	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.4	169.4	178.2	0	0	0	0	108.2	V89 F90 L91 T92 K117 Y121 E140 I142	V89-V119 HydrophobicContact CG1-CG2 3.77Å; F90-V119 PolarHBondContact O-N 3.09Å; L91-V119 HydrophobicContact CD2-CB 3.83Å; L91-V119 HydrophobicContact CD2-CG1 4.29Å; T92-V119 PolarHBondContact N-O 2.83Å; K117-V119 HydrophobicContact CG-CG2 4.49Å; V119-Y121 HydrophobicContact CG1-CD2 4.07Å; V119-Y121 HydrophobicContact CG1-CE2 3.62Å; V119-E140 WeakPolarHBondContact CA-O 3.39Å; V119-I142 HydrophobicContact CG1-CD1 3.56Å; V119-I142 HydrophobicContact CG1-CG1 4.01Å
120	F	95	Very high	94.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.7	179.3	-172.1	-73.9	0	0	0	109.7	T92 A94 S102 I106 D122 L125 I133 V139 E140 R141 I142	T92-F120 HydrophobicContact CG2-CB 4.23Å; T92-F120 HydrophobicContact CG2-CD2 3.58Å; T92-F120 HydrophobicContact CG2-CE2 4.3Å; T92-F120 HydrophobicContact CG2-CG 4.19Å; T92-F120 WeakPolarHBondContact O-CA 3.3Å; A94-F120 HydrophobicContact CB-CZ 3.84Å; S102-F120 WeakPolarHBondContact OG-CE2 2.94Å; I106-F120 HydrophobicContact CD1-CD2 3.79Å; I106-F120 HydrophobicContact CD1-CE2 4.02Å; F120-D122 HydrophobicContact CE1-CB 4.49Å; F120-L125 HydrophobicContact CE1-CD1 3.75Å; F120-L125 HydrophobicContact CE1-CG 4.36Å; F120-L125 HydrophobicContact CZ-CD1 4.15Å; F120-I133 HydrophobicContact CB-CG2 4.02Å; F120-I133 HydrophobicContact CD1-CG2 4.04Å; F120-I133 HydrophobicContact CD2-CD1 4.18Å; F120-I133 HydrophobicContact CD2-CG2 4.16Å; F120-I133 HydrophobicContact CE1-CG1 4.34Å; F120-I133 HydrophobicContact CE2-CD1 3.8Å; F120-I133 HydrophobicContact CE2-CG1 4.3Å; F120-I133 HydrophobicContact CG-CG2 3.81Å; F120-I133 HydrophobicContact CZ-CD1 4.08Å; F120-I133 HydrophobicContact CZ-CG1 4.16Å; F120-V139 HydrophobicContact CB-CG1 3.72Å; F120-E140 PolarHBondContact N-O 2.87Å; F120-R141 HydrophobicContact CD1-CG 4.25Å; F120-R141 CarbonylContact O-C 3.12Å; F120-R141 WeakPolarHBondContact O-CA 3.04Å; F120-I142 PolarHBondContact O-N 3.44Å
121	Y	95.4	Very high	94.9	Very high	12 Å²	12	54.7 Å²	54.7	5%	0.047	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.3	171.1	-76.3	-91.2	0	0	0	111.3	L91 T92 A93 A94 V119 L123 I142 F144 I165	L91-Y121 HydrophobicContact CD2-CE2 4.08Å; T92-Y121 PolarHBondContact O-N 2.62Å; A93-Y121 CarbonylContact C-O 3.46Å; A93-Y121 WeakPolarHBondContact CA-O 3.17Å; A93-Y121 WeakPolarHBondContact CB-O 3.31Å; A94-Y121 PolarHBondContact N-O 3.33Å; A94-Y121 VanDerWaalsContact N-O 3.11Å; V119-Y121 HydrophobicContact CG1-CD2 4.07Å; V119-Y121 HydrophobicContact CG1-CE2 3.62Å; Y121-L123 PolarHBondContact O-N 3.14Å; Y121-I142 CarbonylContact C-O 3.4Å; Y121-I142 VanDerWaalsContact CA-O 3.29Å; Y121-I142 WeakPolarHBondContact CA-O 3.11Å; Y121-I142 HydrophobicContact CD1-CB 3.98Å; Y121-I142 HydrophobicContact CD1-CG2 3.98Å; Y121-I142 HydrophobicContact CE1-CB 3.9Å; Y121-I142 HydrophobicContact CE1-CD1 4.37Å; Y121-I142 HydrophobicContact CE1-CG2 3.63Å; Y121-F144 HydrophobicContact CD1-CD2 4.3Å; Y121-I165 VanDerWaalsContact CB-CD1 3.44Å; Y121-I165 HydrophobicContact CD1-CD1 4.08Å; Y121-I165 HydrophobicContact CD1-CG1 3.87Å; Y121-I165 HydrophobicContact CD2-CB 4.37Å; Y121-I165 HydrophobicContact CD2-CD1 3.72Å; Y121-I165 HydrophobicContact CD2-CG1 3.85Å; Y121-I165 HydrophobicContact CD2-CG2 3.66Å; Y121-I165 HydrophobicContact CE1-CG1 4.16Å; Y121-I165 HydrophobicContact CE2-CB 4.34Å; Y121-I165 HydrophobicContact CE2-CD1 4.48Å; Y121-I165 HydrophobicContact CE2-CG1 4.15Å; Y121-I165 HydrophobicContact CE2-CG2 3.54Å; Y121-I165 HydrophobicContact CG-CD1 3.46Å; Y121-I165 VanDerWaalsContact CG-CD1 3.46Å; Y121-I165 HydrophobicContact CG-CG1 3.69Å; Y121-I165 HydrophobicContact CG-CG2 4.39Å
122	D	96.8	Very high	95.1	Very high	10 Å²	10	52 Å²	52	5%	0.053	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	114.7	175.1	178.6	-11.9	0	0	0	108.9	F120 G124 L125 R141 I142 V143 F144	F120-D122 HydrophobicContact CE1-CB 4.49Å; D122-G124 PolarHBondContact OD1-N 3.33Å; D122-L125 HydrophobicContact CB-CD1 4.43Å; D122-L125 HydrophobicContact CB-CG 4.46Å; D122-L125 WeakPolarHBondContact OD1-CB 3.42Å; D122-L125 WeakPolarHBondContact OD1-CG 3.48Å; D122-L125 PolarHBondContact OD1-N 3.39Å; D122-R141 HydrophobicContact CB-CG 3.9Å; D122-R141 IonicContact OD2-CZ 2.72Å; D122-R141 IonicContact OD2-NH1 2.69Å; D122-R141 PolarHBondContact OD2-NH1 2.68Å; D122-I142 PolarHBondContact N-O 2.85Å; D122-V143 HydrophobicContact CB-CG2 4.41Å; D122-F144 WeakPolarHBondContact O-CB 3.34Å; D122-F144 PolarHBondContact O-N 3.48Å
123	L	97.4	Very high	95.5	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.068	27%	0.266	C	S	.	.	S	Bend	trans	-100.1	7.9	-178.7	-54.3	178.2	0	0	0	112.4	A93 A94 D95 Y121 F144 F146 L156 W161	A93-L123 HydrophobicContact CB-CD1 3.88Å; A93-L123 HydrophobicContact CB-CD2 4.33Å; A93-L123 HydrophobicContact CB-CG 4.05Å; A94-L123 WeakPolarHBondContact O-CB 3.5Å; A94-L123 PolarHBondContact O-N 2.81Å; D95-L123 HydrophobicContact CB-CB 4.38Å; Y121-L123 PolarHBondContact O-N 3.14Å; L123-F144 HydrophobicContact CD2-CB 3.78Å; L123-F144 HydrophobicContact CD2-CD2 4.43Å; L123-F144 HydrophobicContact CD2-CG 4.05Å; L123-F146 HydrophobicContact CB-CZ 4.11Å; L123-F146 HydrophobicContact CD2-CZ 4Å; L123-L156 HydrophobicContact CB-CD1 3.96Å; L123-L156 HydrophobicContact CB-CD2 4.36Å; L123-L156 HydrophobicContact CD1-CD1 4.43Å; L123-L156 HydrophobicContact CD1-CD2 4.46Å; L123-W161 HydrophobicContact CD1-CD2 3.77Å; L123-W161 HydrophobicContact CD1-CE3 3.98Å; L123-W161 HydrophobicContact CD1-CG 4.34Å; L123-W161 HydrophobicContact CD1-CH2 4.01Å; L123-W161 HydrophobicContact CD1-CZ2 3.81Å; L123-W161 HydrophobicContact CD1-CZ3 4.1Å; L123-W161 HydrophobicContact CD2-CB 4.38Å; L123-W161 HydrophobicContact CD2-CD2 4.3Å; L123-W161 HydrophobicContact CD2-CE3 4.33Å; L123-W161 HydrophobicContact CD2-CG 4.35Å
124	G	97	Very high	95.8	Very high	40 Å²	40	49.8 Å²	49.8	41%	0.412	27%	0.27	S	S	.	.	S	Bend	trans	127.8	51.8	-172.2	0	0	0	0	0	113.1	N96 D122	N96-G124 WeakPolarHBondContact CB-O 3.49Å; N96-G124 PolarHBondContact N-O 3.24Å; D122-G124 PolarHBondContact OD1-N 3.33Å
125	L	98	Very high	96.1	Very high	24 Å²	24	52 Å²	52	13%	0.126	27%	0.269	C	S	.	.			trans	-71.9	159.2	166.8	-64.9	-174.4	0	0	0	111.6	Y99 F120 D122 Q129 A130 I133	Y99-L125 HydrophobicContact CD2-CD1 4.45Å; Y99-L125 HydrophobicContact CD2-CD2 3.74Å; Y99-L125 HydrophobicContact CG-CD2 4.22Å; F120-L125 HydrophobicContact CE1-CD1 3.75Å; F120-L125 HydrophobicContact CE1-CG 4.36Å; F120-L125 HydrophobicContact CZ-CD1 4.15Å; D122-L125 HydrophobicContact CB-CD1 4.43Å; D122-L125 HydrophobicContact CB-CG 4.46Å; D122-L125 WeakPolarHBondContact OD1-CB 3.42Å; D122-L125 WeakPolarHBondContact OD1-CG 3.48Å; D122-L125 PolarHBondContact OD1-N 3.39Å; L125-Q129 HydrophobicContact CB-CB 3.96Å; L125-Q129 HydrophobicContact CD1-CB 4.34Å; L125-Q129 HydrophobicContact CD2-CB 4.18Å; L125-Q129 HydrophobicContact CG-CB 4.39Å; L125-A130 HydrophobicContact CB-CB 4.38Å; L125-I133 HydrophobicContact CD1-CG1 3.78Å
126	T	98.4	Very high	96.4	Very high	65 Å²	65	43.6 Å²	43.6	40%	0.399	23%	0.233	S	C	.	.			trans	-78.4	160.9	162.7	72	0	0	0	0	110.9	N96 V128 Q129 A130	N96-T126 HydrophobicContact CB-CG2 4.36Å; T126-V128 PolarHBondContact O-N 3.43Å; T126-Q129 WeakPolarHBondContact O-CA 3.3Å; T126-Q129 WeakPolarHBondContact O-CB 3.28Å; T126-Q129 PolarHBondContact O-N 2.86Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.34Å; T126-Q129 PolarHBondContact OG1-N 3.35Å; T126-A130 WeakPolarHBondContact O-CB 3.38Å; T126-A130 PolarHBondContact O-N 3.25Å
127	E	98.1	Very high	96.7	Very high	171 Å²	171	43 Å²	43	80%	0.799	23%	0.231	S	C	*	.	H	α-helix	trans	-55	-38.2	179.6	-62.5	178.4	165.2	0	0	113.3	S131	E127-S131 VanDerWaalsContact O-CB 3.26Å; E127-S131 WeakPolarHBondContact O-CB 3.35Å; E127-S131 PolarHBondContact O-N 2.81Å; E127-S131 PolarHBondContact O-OG 2.79Å
128	V	98.2	Very high	96.9	Very high	119 Å²	119	42.1 Å²	42.1	72%	0.721	23%	0.231	S	C	*	.	H	α-helix	trans	-68.6	-37.3	176.7	-179.4	0	0	0	0	111.6	T126 H132	T126-V128 PolarHBondContact O-N 3.43Å; V128-H132 PolarHBondContact O-N 3.29Å
129	Q	98.2	Very high	97.1	Very high	30 Å²	30	43 Å²	43	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-70.4	-46.2	176	-70.2	175.3	-32.1	0	0	110.9	N96 Y99 L125 T126 H132 I133	N96-Q129 VanDerWaalsContact CA-OE1 3.25Å; N96-Q129 PolarHBondContact O-NE2 2.68Å; N96-Q129 VanDerWaalsContact O-NE2 3.12Å; Y99-Q129 HydrophobicContact CD1-CB 4.46Å; Y99-Q129 HydrophobicContact CD1-CG 3.75Å; Y99-Q129 VanDerWaalsContact CD1-NE2 3.33Å; Y99-Q129 HydrophobicContact CD2-CB 3.77Å; Y99-Q129 HydrophobicContact CD2-CG 3.96Å; Y99-Q129 HydrophobicContact CE1-CB 4.3Å; Y99-Q129 HydrophobicContact CE1-CG 3.7Å; Y99-Q129 HydrophobicContact CE2-CB 3.57Å; Y99-Q129 HydrophobicContact CE2-CG 3.9Å; Y99-Q129 HydrophobicContact CG-CB 4.19Å; Y99-Q129 HydrophobicContact CG-CG 3.85Å; L125-Q129 HydrophobicContact CB-CB 3.96Å; L125-Q129 HydrophobicContact CD1-CB 4.34Å; L125-Q129 HydrophobicContact CD2-CB 4.18Å; L125-Q129 HydrophobicContact CG-CB 4.39Å; T126-Q129 WeakPolarHBondContact O-CA 3.3Å; T126-Q129 WeakPolarHBondContact O-CB 3.28Å; T126-Q129 PolarHBondContact O-N 2.86Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.34Å; T126-Q129 PolarHBondContact OG1-N 3.35Å; Q129-H132 PolarHBondContact O-N 3.38Å; Q129-I133 WeakPolarHBondContact O-CG1 3.32Å; Q129-I133 PolarHBondContact O-N 3.29Å
130	A	98.3	Very high	97.2	Very high	9 Å²	9	46.7 Å²	46.7	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-57.3	-51.5	175.9	0	0	0	0	0	111.9	L125 T126 H132 I133 D134	L125-A130 HydrophobicContact CB-CB 4.38Å; T126-A130 WeakPolarHBondContact O-CB 3.38Å; T126-A130 PolarHBondContact O-N 3.25Å; A130-H132 PolarHBondContact O-N 3.49Å; A130-H132 VanDerWaalsContact O-N 3.12Å; A130-I133 PolarHBondContact O-N 2.9Å; A130-I133 VanDerWaalsContact O-N 3.08Å; A130-D134 VanDerWaalsContact O-CG 3.26Å; A130-D134 PolarHBondContact O-N 2.79Å
131	S	98.1	Very high	97.3	Very high	62 Å²	62	50 Å²	50	43%	0.434	27%	0.266	S	S	.	.	H	α-helix	trans	-65.6	-11.1	177.9	-57.9	0	0	0	0	114.6	E127 R135	E127-S131 VanDerWaalsContact O-CB 3.26Å; E127-S131 WeakPolarHBondContact O-CB 3.35Å; E127-S131 PolarHBondContact O-N 2.81Å; E127-S131 PolarHBondContact O-OG 2.79Å; S131-R135 WeakPolarHBondContact O-CG 3.2Å; S131-R135 PolarHBondContact O-NH1 2.03Å
132	H	98	Very high	97.3	Very high	29 Å²	29	52 Å²	52	13%	0.134	28%	0.277	C	S	.	.	H	α-helix	trans	-90.8	-42	168.8	177.5	-144.5	0	0	0	111.1	Y99 V128 Q129 A130 D134 R135 L136 E313	Y99-H132 AromaticContact CZ-ND1 3.93Å; Y99-H132 PolarHBondContact OH-ND1 2.67Å; V128-H132 PolarHBondContact O-N 3.29Å; Q129-H132 PolarHBondContact O-N 3.38Å; A130-H132 PolarHBondContact O-N 3.49Å; A130-H132 VanDerWaalsContact O-N 3.12Å; H132-D134 PolarHBondContact O-N 3.06Å; H132-R135 PolarHBondContact O-N 3.23Å; H132-L136 WeakPolarHBondContact O-CG 3.45Å; H132-E313 IonicContact CD2-OE1 2.67Å; H132-E313 IonicContact CD2-OE2 2.67Å; H132-E313 IonicContact NE2-OE1 3.33Å
133	I	97.9	Very high	97.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-39.1	172.1	-61.3	-56.8	0	0	0	111.2	Y99 L103 I106 F120 L125 Q129 A130 R135 L136 V139 R141	Y99-I133 HydrophobicContact CD2-CD1 4.32Å; Y99-I133 HydrophobicContact CE2-CD1 3.86Å; Y99-I133 HydrophobicContact CE2-CG1 4.03Å; L103-I133 HydrophobicContact CD2-CD1 3.71Å; I106-I133 HydrophobicContact CD1-CD1 4.06Å; F120-I133 HydrophobicContact CB-CG2 4.02Å; F120-I133 HydrophobicContact CD1-CG2 4.04Å; F120-I133 HydrophobicContact CD2-CD1 4.18Å; F120-I133 HydrophobicContact CD2-CG2 4.16Å; F120-I133 HydrophobicContact CE1-CG1 4.34Å; F120-I133 HydrophobicContact CE2-CD1 3.8Å; F120-I133 HydrophobicContact CE2-CG1 4.3Å; F120-I133 HydrophobicContact CG-CG2 3.81Å; F120-I133 HydrophobicContact CZ-CD1 4.08Å; F120-I133 HydrophobicContact CZ-CG1 4.16Å; L125-I133 HydrophobicContact CD1-CG1 3.78Å; Q129-I133 WeakPolarHBondContact O-CG1 3.32Å; Q129-I133 PolarHBondContact O-N 3.29Å; A130-I133 PolarHBondContact O-N 2.9Å; A130-I133 VanDerWaalsContact O-N 3.08Å; I133-R135 PolarHBondContact O-N 3.49Å; I133-R135 VanDerWaalsContact O-N 3.16Å; I133-L136 HydrophobicContact CD1-CD1 3.84Å; I133-L136 PolarHBondContact O-N 2.79Å; I133-L136 VanDerWaalsContact O-N 3.08Å; I133-V139 HydrophobicContact CG2-CG1 3.83Å; I133-R141 HydrophobicContact CG2-CB 3.97Å; I133-R141 HydrophobicContact CG2-CG 4.14Å
134	D	97.9	Very high	97.1	Very high	81 Å²	81	54.6 Å²	54.6	43%	0.433	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13	178.5	-66	-22.5	0	0	0	114.1	A130 H132 R141	A130-D134 VanDerWaalsContact O-CG 3.26Å; A130-D134 PolarHBondContact O-N 2.79Å; H132-D134 PolarHBondContact O-N 3.06Å; D134-R141 VanDerWaalsContact OD1-CB 3.28Å; D134-R141 WeakPolarHBondContact OD1-CB 3.05Å; D134-R141 IonicContact OD1-CZ 3.17Å; D134-R141 IonicContact OD1-NE 3.12Å; D134-R141 PolarHBondContact OD1-NE 2.93Å; D134-R141 IonicContact OD1-NH2 2.67Å; D134-R141 PolarHBondContact OD1-NH2 2.91Å; D134-R141 IonicContact OD2-CZ 3.83Å; D134-R141 IonicContact OD2-NE 3.77Å; D134-R141 PolarHBondContact OD2-NE 2.89Å; D134-R141 IonicContact OD2-NH2 2.76Å; D134-R141 PolarHBondContact OD2-NH2 3.07Å
135	R	97.7	Very high	97	Very high	113 Å²	113	53.6 Å²	53.6	43%	0.426	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	12.9	174.6	-57.5	-170.4	-45.2	-103.8	3.8	112.9	S131 H132 I133 E313 C314	S131-R135 WeakPolarHBondContact O-CG 3.2Å; S131-R135 PolarHBondContact O-NH1 2.03Å; H132-R135 PolarHBondContact O-N 3.23Å; I133-R135 PolarHBondContact O-N 3.49Å; I133-R135 VanDerWaalsContact O-N 3.16Å; R135-E313 IonicContact CZ-OE2 2.79Å; R135-E313 IonicContact NE-OE2 3.85Å; R135-E313 PolarHBondContact NE-OE2 3.03Å; R135-E313 IonicContact NH2-OE1 3.13Å; R135-E313 IonicContact NH2-OE2 2.62Å; R135-E313 PolarHBondContact NH2-OE2 2.96Å; R135-E313 CarbonylContact O-C 3.57Å; R135-E313 WeakPolarHBondContact O-CA 3.33Å; R135-E313 WeakPolarHBondContact O-CB 3.42Å; R135-C314 WeakPolarHBondContact CA-OXT 3.22Å; R135-C314 PolarHBondContact O-N 3.38Å
136	L	97.9	Very high	97	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-91	129.7	-179.7	-62.9	-171.7	0	0	0	111.6	L103 I106 H132 I133 N138 V139 P311 E313	L103-L136 HydrophobicContact CD2-CD1 3.87Å; I106-L136 HydrophobicContact CD1-CD1 3.65Å; I106-L136 HydrophobicContact CG2-CD1 4.06Å; H132-L136 WeakPolarHBondContact O-CG 3.45Å; I133-L136 HydrophobicContact CD1-CD1 3.84Å; I133-L136 PolarHBondContact O-N 2.79Å; I133-L136 VanDerWaalsContact O-N 3.08Å; L136-N138 PolarHBondContact O-N 2.96Å; L136-V139 HydrophobicContact CB-CB 3.89Å; L136-V139 HydrophobicContact CB-CG2 3.46Å; L136-V139 VanDerWaalsContact CB-CG2 3.46Å; L136-V139 HydrophobicContact CD1-CG2 4.48Å; L136-V139 WeakPolarHBondContact O-CB 3.45Å; L136-V139 PolarHBondContact O-N 2.98Å; L136-P311 HydrophobicContact CD1-CB 4Å; L136-P311 HydrophobicContact CD1-CG 4.23Å; L136-P311 HydrophobicContact CD2-CB 3.77Å; L136-P311 HydrophobicContact CG-CB 4.42Å; L136-E313 HydrophobicContact CD2-CG 3.83Å
137	C	96.8	Very high	96.8	Very high	17 Å²	17	59.6 Å²	59.6	12%	0.115	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	127.2	-178.8	-62.3	0	0	0	0	112.2	Q110 V139 F312 E313 C314	Q110-C137 PolarHBondContact NE2-O 2.68Å; C137-V139 PolarHBondContact O-N 3.28Å; C137-F312 HydrophobicContact CB-CB 4.34Å; C137-F312 PolarHBondContact N-O 3.03Å; C137-F312 PolarHBondContact SG-O 3.34Å; C137-E313 PolarHBondContact SG-O 3.29Å; C137-C314 VanDerWaalsContact CA-SG 3.55Å; C137-C314 HydrophobicContact CB-CB 3.97Å; C137-C314 WeakPolarHBondContact CB-SG 3.23Å; C137-C314 WeakPolarHBondContact SG-CB 3.45Å; C137-C314 CovalentContact SG-SG 2.04Å; C137-C314 PolarHBondContact SG-SG 2.89Å
138	N	95.5	Very high	96.7	Very high	77 Å²	77	57.3 Å²	57.3	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	14.5	-177.7	-53.3	-53.4	0	0	0	116.1	P114 Q116 I118 L136	P114-N138 PolarHBondContact O-ND2 2.84Å; Q116-N138 WeakPolarHBondContact O-CB 3.39Å; I118-N138 PolarHBondContact N-O 3.38Å; L136-N138 PolarHBondContact O-N 2.96Å
139	V	96.5	Very high	96.6	Very high	22 Å²	22	52.6 Å²	52.6	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129	176.6	-172	0	0	0	0	111.4	I106 I118 F120 I133 L136 C137	I106-V139 HydrophobicContact CG2-CG2 3.85Å; I118-V139 HydrophobicContact CB-CG2 4.2Å; I118-V139 HydrophobicContact CD1-CG2 4.33Å; I118-V139 HydrophobicContact CG2-CG2 4.47Å; I118-V139 CarbonylContact O-C 3.5Å; I118-V139 VanDerWaalsContact O-CA 3.32Å; I118-V139 WeakPolarHBondContact O-CA 3.36Å; F120-V139 HydrophobicContact CB-CG1 3.72Å; I133-V139 HydrophobicContact CG2-CG1 3.83Å; L136-V139 HydrophobicContact CB-CB 3.89Å; L136-V139 HydrophobicContact CB-CG2 3.46Å; L136-V139 VanDerWaalsContact CB-CG2 3.46Å; L136-V139 HydrophobicContact CD1-CG2 4.48Å; L136-V139 WeakPolarHBondContact O-CB 3.45Å; L136-V139 PolarHBondContact O-N 2.98Å; C137-V139 PolarHBondContact O-N 3.28Å
140	E	95	Very high	96.6	Very high	80 Å²	80	52 Å²	52	37%	0.374	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.2	165.5	178.5	-175.2	-172.6	0	0	109.1	K117 I118 V119 F120 I142	K117-E140 WeakPolarHBondContact CE-OE2 3.43Å; K117-E140 IonicContact NZ-OE2 3.15Å; K117-E140 PolarHBondContact NZ-OE2 3.15Å; I118-E140 PolarHBondContact O-N 3.37Å; V119-E140 WeakPolarHBondContact CA-O 3.39Å; F120-E140 PolarHBondContact N-O 2.87Å; E140-I142 HydrophobicContact CG-CG1 4.23Å
141	R	96	Very high	96.5	Very high	69 Å²	69	58 Å²	58	26%	0.26	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.4	173.5	-168.1	172.6	56.3	91.3	9	111.6	F120 D122 I133 D134	F120-R141 HydrophobicContact CD1-CG 4.25Å; F120-R141 CarbonylContact O-C 3.12Å; F120-R141 WeakPolarHBondContact O-CA 3.04Å; D122-R141 HydrophobicContact CB-CG 3.9Å; D122-R141 IonicContact OD2-CZ 2.72Å; D122-R141 IonicContact OD2-NH1 2.69Å; D122-R141 PolarHBondContact OD2-NH1 2.68Å; I133-R141 HydrophobicContact CG2-CB 3.97Å; I133-R141 HydrophobicContact CG2-CG 4.14Å; D134-R141 VanDerWaalsContact OD1-CB 3.28Å; D134-R141 WeakPolarHBondContact OD1-CB 3.05Å; D134-R141 IonicContact OD1-CZ 3.17Å; D134-R141 IonicContact OD1-NE 3.12Å; D134-R141 PolarHBondContact OD1-NE 2.93Å; D134-R141 IonicContact OD1-NH2 2.67Å; D134-R141 PolarHBondContact OD1-NH2 2.91Å; D134-R141 IonicContact OD2-CZ 3.83Å; D134-R141 IonicContact OD2-NE 3.77Å; D134-R141 PolarHBondContact OD2-NE 2.89Å; D134-R141 IonicContact OD2-NH2 2.76Å; D134-R141 PolarHBondContact OD2-NH2 3.07Å
142	I	95.1	Very high	96.3	Very high	54 Å²	54	58.5 Å²	58.5	28%	0.277	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.2	174.3	-56.8	-176.9	0	0	0	109	V119 F120 Y121 D122 E140 F144	V119-I142 HydrophobicContact CG1-CD1 3.56Å; V119-I142 HydrophobicContact CG1-CG1 4.01Å; F120-I142 PolarHBondContact O-N 3.44Å; Y121-I142 CarbonylContact C-O 3.4Å; Y121-I142 VanDerWaalsContact CA-O 3.29Å; Y121-I142 WeakPolarHBondContact CA-O 3.11Å; Y121-I142 HydrophobicContact CD1-CB 3.98Å; Y121-I142 HydrophobicContact CD1-CG2 3.98Å; Y121-I142 HydrophobicContact CE1-CB 3.9Å; Y121-I142 HydrophobicContact CE1-CD1 4.37Å; Y121-I142 HydrophobicContact CE1-CG2 3.63Å; D122-I142 PolarHBondContact N-O 2.85Å; E140-I142 HydrophobicContact CG-CG1 4.23Å; I142-F144 PolarHBondContact O-N 3.2Å
143	V	96.4	Very high	96.2	Very high	78 Å²	78	57.1 Å²	57.1	47%	0.473	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.2	172.4	-178.6	0	0	0	0	109.6	D122 P145	D122-V143 HydrophobicContact CB-CG2 4.41Å; V143-P145 WeakPolarHBondContact O-CD 3.42Å
144	F	95	Very high	96.1	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	29%	0.289	C	S	.	.			trans	-69	122.9	-179.9	-176.4	-87.7	0	0	0	110.1	Y121 D122 L123 I142 F146 Y149 V153 W161 I164 I165	Y121-F144 HydrophobicContact CD1-CD2 4.3Å; D122-F144 WeakPolarHBondContact O-CB 3.34Å; D122-F144 PolarHBondContact O-N 3.48Å; L123-F144 HydrophobicContact CD2-CB 3.78Å; L123-F144 HydrophobicContact CD2-CD2 4.43Å; L123-F144 HydrophobicContact CD2-CG 4.05Å; I142-F144 PolarHBondContact O-N 3.2Å; F144-F146 VanDerWaalsContact C-N 3.29Å; F144-F146 HydrophobicContact CB-CD2 4.5Å; F144-F146 HydrophobicContact CB-CE2 4.07Å; F144-F146 HydrophobicContact CB-CZ 4.31Å; F144-F146 HydrophobicContact CD1-CB 4.44Å; F144-F146 AromaticContact CD1-CD1 3.5Å; F144-F146 HydrophobicContact CD1-CD1 3.5Å; F144-F146 AromaticContact CD1-CD2 3.77Å; F144-F146 HydrophobicContact CD1-CD2 3.77Å; F144-F146 AromaticContact CD1-CE1 3.49Å; F144-F146 HydrophobicContact CD1-CE1 3.49Å; F144-F146 VanDerWaalsContact CD1-CE1 3.49Å; F144-F146 AromaticContact CD1-CE2 3.76Å; F144-F146 HydrophobicContact CD1-CE2 3.76Å; F144-F146 AromaticContact CD1-CG 3.63Å; F144-F146 HydrophobicContact CD1-CG 3.63Å; F144-F146 AromaticContact CD1-CZ 3.61Å; F144-F146 HydrophobicContact CD1-CZ 3.61Å; F144-F146 AromaticContact CE1-CD1 3.59Å; F144-F146 HydrophobicContact CE1-CD1 3.59Å; F144-F146 AromaticContact CE1-CE1 3.74Å; F144-F146 HydrophobicContact CE1-CE1 3.74Å; F144-F146 HydrophobicContact CE1-CG 4.05Å; F144-F146 HydrophobicContact CE1-CZ 4.32Å; F144-F146 HydrophobicContact CG-CE1 4.49Å; F144-F146 HydrophobicContact CG-CE2 4.36Å; F144-F146 HydrophobicContact CG-CZ 4.27Å; F144-F146 VanDerWaalsContact O-CD2 3.25Å; F144-F146 WeakPolarHBondContact O-CD2 3.2Å; F144-F146 PolarHBondContact O-N 2.88Å; F144-Y149 AromaticContact CE1-CD2 3.86Å; F144-Y149 HydrophobicContact CE1-CD2 3.86Å; F144-Y149 HydrophobicContact CE1-CE2 4.1Å; F144-Y149 AromaticContact CZ-CD2 3.92Å; F144-Y149 HydrophobicContact CZ-CD2 3.92Å; F144-Y149 AromaticContact CZ-CE2 3.85Å; F144-Y149 HydrophobicContact CZ-CE2 3.85Å; F144-V153 HydrophobicContact CE1-CG1 4Å; F144-V153 HydrophobicContact CZ-CG1 4.19Å; F144-W161 HydrophobicContact CE1-CB 4.3Å; F144-W161 HydrophobicContact CE2-CB 4.1Å; F144-W161 HydrophobicContact CZ-CB 3.95Å; F144-I164 HydrophobicContact CE2-CB 4.12Å; F144-I164 HydrophobicContact CE2-CG2 3.74Å; F144-I164 HydrophobicContact CZ-CB 4.05Å; F144-I164 HydrophobicContact CZ-CD1 4.36Å; F144-I164 HydrophobicContact CZ-CG2 3.67Å; F144-I165 HydrophobicContact CD2-CD1 4.21Å; F144-I165 HydrophobicContact CD2-CG1 3.76Å; F144-I165 HydrophobicContact CE2-CG1 3.86Å
145	P	94.8	Very high	96	Very high	18 Å²	18	60.7 Å²	60.7	12%	0.117	28%	0.283	C	S	.	.			trans	-85.2	67.9	-167.8	34.4	-36.2	0	0	0	111.8	V143 W147 K148 Y149	V143-P145 WeakPolarHBondContact O-CD 3.42Å; P145-W147 HydrophobicContact CB-CD2 4.26Å; P145-W147 HydrophobicContact CB-CE3 4.23Å; P145-W147 HydrophobicContact CB-CH2 3.68Å; P145-W147 HydrophobicContact CB-CZ2 3.7Å; P145-W147 HydrophobicContact CB-CZ3 3.96Å; P145-W147 PolarHBondContact O-N 3.25Å; P145-W147 VanDerWaalsContact O-N 3.09Å; P145-K148 HydrophobicContact CB-CD 3.97Å; P145-K148 HydrophobicContact CB-CG 4.14Å; P145-K148 HydrophobicContact CG-CD 4.14Å; P145-K148 WeakPolarHBondContact O-CB 3.37Å; P145-K148 PolarHBondContact O-N 3.04Å; P145-Y149 HydrophobicContact CG-CE2 4.13Å; P145-Y149 WeakPolarHBondContact O-CD2 3.04Å
146	F	96.4	Very high	95.9	Very high	26 Å²	26	56.7 Å²	56.7	11%	0.114	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-52.3	-34.9	-175.3	-67.2	-82.6	0	0	0	113.8	L123 F144 K148 Y149 V153 H154 L156	L123-F146 HydrophobicContact CB-CZ 4.11Å; L123-F146 HydrophobicContact CD2-CZ 4Å; F144-F146 VanDerWaalsContact C-N 3.29Å; F144-F146 HydrophobicContact CB-CD2 4.5Å; F144-F146 HydrophobicContact CB-CE2 4.07Å; F144-F146 HydrophobicContact CB-CZ 4.31Å; F144-F146 HydrophobicContact CD1-CB 4.44Å; F144-F146 AromaticContact CD1-CD1 3.5Å; F144-F146 HydrophobicContact CD1-CD1 3.5Å; F144-F146 AromaticContact CD1-CD2 3.77Å; F144-F146 HydrophobicContact CD1-CD2 3.77Å; F144-F146 AromaticContact CD1-CE1 3.49Å; F144-F146 HydrophobicContact CD1-CE1 3.49Å; F144-F146 VanDerWaalsContact CD1-CE1 3.49Å; F144-F146 AromaticContact CD1-CE2 3.76Å; F144-F146 HydrophobicContact CD1-CE2 3.76Å; F144-F146 AromaticContact CD1-CG 3.63Å; F144-F146 HydrophobicContact CD1-CG 3.63Å; F144-F146 AromaticContact CD1-CZ 3.61Å; F144-F146 HydrophobicContact CD1-CZ 3.61Å; F144-F146 AromaticContact CE1-CD1 3.59Å; F144-F146 HydrophobicContact CE1-CD1 3.59Å; F144-F146 AromaticContact CE1-CE1 3.74Å; F144-F146 HydrophobicContact CE1-CE1 3.74Å; F144-F146 HydrophobicContact CE1-CG 4.05Å; F144-F146 HydrophobicContact CE1-CZ 4.32Å; F144-F146 HydrophobicContact CG-CE1 4.49Å; F144-F146 HydrophobicContact CG-CE2 4.36Å; F144-F146 HydrophobicContact CG-CZ 4.27Å; F144-F146 VanDerWaalsContact O-CD2 3.25Å; F144-F146 WeakPolarHBondContact O-CD2 3.2Å; F144-F146 PolarHBondContact O-N 2.88Å; F146-K148 PolarHBondContact O-N 3.15Å; F146-Y149 PolarHBondContact O-N 3.32Å; F146-V153 HydrophobicContact CD1-CG1 4.43Å; F146-H154 VanDerWaalsContact CB-NE2 3.29Å; F146-H154 WeakPolarHBondContact CB-NE2 3.43Å; F146-H154 HydrophobicContact CD1-CB 4.43Å; F146-H154 AromaticContact CG-CD2 3.82Å; F146-L156 HydrophobicContact CE1-CD2 3.7Å; F146-L156 HydrophobicContact CZ-CD2 3.68Å
147	W	95.8	Very high	95.6	Very high	189 Å²	189	63.5 Å²	63.5	72%	0.716	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-61.5	-12.8	178	69.5	89.6	0	0	0	114.6	P145	P145-W147 HydrophobicContact CB-CD2 4.26Å; P145-W147 HydrophobicContact CB-CE3 4.23Å; P145-W147 HydrophobicContact CB-CH2 3.68Å; P145-W147 HydrophobicContact CB-CZ2 3.7Å; P145-W147 HydrophobicContact CB-CZ3 3.96Å; P145-W147 PolarHBondContact O-N 3.25Å; P145-W147 VanDerWaalsContact O-N 3.09Å
148	K	95.3	Very high	95.5	Very high	124 Å²	124	64 Å²	64	54%	0.539	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-88	-3.2	174.2	-62.3	-173.2	-179.7	-179.2	0	113.5	Y63 P145 F146	Y63-K148 VanDerWaalsContact CE1-O 3.23Å; Y63-K148 WeakPolarHBondContact CE1-O 3.47Å; P145-K148 HydrophobicContact CB-CD 3.97Å; P145-K148 HydrophobicContact CB-CG 4.14Å; P145-K148 HydrophobicContact CG-CD 4.14Å; P145-K148 WeakPolarHBondContact O-CB 3.37Å; P145-K148 PolarHBondContact O-N 3.04Å; F146-K148 PolarHBondContact O-N 3.15Å
149	Y	96.5	Very high	95.4	Very high	20 Å²	20	60.9 Å²	60.9	8%	0.078	28%	0.283	C	S	.	.	S	Bend	trans	-130	163.7	-171.6	-56.4	-63.8	0	0	0	111.4	Y63 L67 F144 P145 F146 I164 N168 L240	Y63-Y149 HydrophobicContact CD1-CD1 4.44Å; L67-Y149 HydrophobicContact CD2-CE1 4.27Å; F144-Y149 AromaticContact CE1-CD2 3.86Å; F144-Y149 HydrophobicContact CE1-CD2 3.86Å; F144-Y149 HydrophobicContact CE1-CE2 4.1Å; F144-Y149 AromaticContact CZ-CD2 3.92Å; F144-Y149 HydrophobicContact CZ-CD2 3.92Å; F144-Y149 AromaticContact CZ-CE2 3.85Å; F144-Y149 HydrophobicContact CZ-CE2 3.85Å; P145-Y149 HydrophobicContact CG-CE2 4.13Å; P145-Y149 WeakPolarHBondContact O-CD2 3.04Å; F146-Y149 PolarHBondContact O-N 3.32Å; Y149-I164 HydrophobicContact CD1-CD1 4.22Å; Y149-I164 HydrophobicContact CD2-CG2 4.35Å; Y149-I164 HydrophobicContact CE1-CG2 3.87Å; Y149-I164 HydrophobicContact CE2-CG2 3.66Å; Y149-I164 HydrophobicContact CG-CD1 4.24Å; Y149-I164 WeakPolarHBondContact OH-CG2 3.27Å; Y149-N168 PolarHBondContact OH-ND2 3.21Å; Y149-L240 HydrophobicContact CD1-CD2 3.99Å
150	P	96.7	Very high	95.4	Very high	18 Å²	18	59.9 Å²	59.9	12%	0.117	28%	0.277	C	S	.	.			trans	-59.2	145	179.1	-24.4	35.2	0	0	0	112.1	Y63 Y152 V153	Y63-P150 HydrophobicContact CE2-CG 3.62Å; P150-Y152 HydrophobicContact CB-CD1 4.07Å; P150-Y152 HydrophobicContact CB-CD2 4.2Å; P150-Y152 HydrophobicContact CB-CE1 3.53Å; P150-Y152 HydrophobicContact CB-CE2 3.69Å; P150-Y152 HydrophobicContact CB-CG 4.38Å; P150-Y152 HydrophobicContact CG-CE2 4.18Å; P150-Y152 PolarHBondContact O-N 2.86Å; P150-V153 WeakPolarHBondContact O-CB 3.25Å; P150-V153 WeakPolarHBondContact O-CG2 3.29Å; P150-V153 PolarHBondContact O-N 3.03Å
151	N	96.6	Very high	95.3	Very high	135 Å²	135	56.7 Å²	56.7	72%	0.722	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-52.5	-34.2	-171.4	-68.5	0.3	0	0	0	114.5	V153 H154	N151-V153 PolarHBondContact O-N 2.99Å; N151-V153 VanDerWaalsContact O-N 3.17Å; N151-H154 WeakPolarHBondContact O-CB 3.34Å; N151-H154 PolarHBondContact O-N 2.89Å; N151-H154 PolarHBondContact O-ND1 2.75Å
152	Y	95.2	Very high	95.1	Very high	72 Å²	72	54.7 Å²	54.7	28%	0.282	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.8	-15.1	176.5	46.1	-99.6	0	0	0	114.9	P150 H154 N155 L240 K242	P150-Y152 HydrophobicContact CB-CD1 4.07Å; P150-Y152 HydrophobicContact CB-CD2 4.2Å; P150-Y152 HydrophobicContact CB-CE1 3.53Å; P150-Y152 HydrophobicContact CB-CE2 3.69Å; P150-Y152 HydrophobicContact CB-CG 4.38Å; P150-Y152 HydrophobicContact CG-CE2 4.18Å; P150-Y152 PolarHBondContact O-N 2.86Å; Y152-H154 PolarHBondContact O-N 3.13Å; Y152-N155 PolarHBondContact O-N 3.17Å; Y152-L240 PolarHBondContact OH-O 3.05Å; Y152-K242 HydrophobicContact CD1-CB 4.36Å; Y152-K242 HydrophobicContact CD1-CG 4.36Å; Y152-K242 HydrophobicContact CE1-CB 3.82Å; Y152-K242 HydrophobicContact CE1-CG 4.28Å; Y152-K242 HydrophobicContact CE2-CB 4.43Å; Y152-K242 PolarHBondContact OH-N 2.76Å
153	V	96.2	Very high	94.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.7	-21.7	170.7	179.6	0	0	0	0	112.2	F144 F146 P150 N151 N155 R160 I164	F144-V153 HydrophobicContact CE1-CG1 4Å; F144-V153 HydrophobicContact CZ-CG1 4.19Å; F146-V153 HydrophobicContact CD1-CG1 4.43Å; P150-V153 WeakPolarHBondContact O-CB 3.25Å; P150-V153 WeakPolarHBondContact O-CG2 3.29Å; P150-V153 PolarHBondContact O-N 3.03Å; N151-V153 PolarHBondContact O-N 2.99Å; N151-V153 VanDerWaalsContact O-N 3.17Å; V153-N155 PolarHBondContact O-N 2.74Å; V153-R160 HydrophobicContact CG1-CB 4.29Å; V153-R160 HydrophobicContact CG2-CB 4.18Å; V153-I164 HydrophobicContact CG1-CD1 3.86Å; V153-I164 HydrophobicContact CG2-CD1 4.24Å
154	H	95.5	Very high	94.6	Very high	95 Å²	95	48.4 Å²	48.4	44%	0.44	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68.1	-18.3	170.4	-60.5	79.7	0	0	0	112.8	F146 N151 Y152 L156	F146-H154 VanDerWaalsContact CB-NE2 3.29Å; F146-H154 WeakPolarHBondContact CB-NE2 3.43Å; F146-H154 HydrophobicContact CD1-CB 4.43Å; F146-H154 AromaticContact CG-CD2 3.82Å; N151-H154 WeakPolarHBondContact O-CB 3.34Å; N151-H154 PolarHBondContact O-N 2.89Å; N151-H154 PolarHBondContact O-ND1 2.75Å; Y152-H154 PolarHBondContact O-N 3.13Å; H154-L156 VanDerWaalsContact C-N 3.34Å; H154-L156 PolarHBondContact O-N 2.91Å
155	N	95.4	Very high	94.4	Very high	60 Å²	60	48.8 Å²	48.8	32%	0.321	22%	0.221	S	C	.	.			trans	-76.1	89.2	175.6	-170	7.2	0	0	0	110	Y152 V153 K157 E158	Y152-N155 PolarHBondContact O-N 3.17Å; V153-N155 PolarHBondContact O-N 2.74Å; N155-K157 PolarHBondContact O-N 2.8Å; N155-K157 WeakPolarHBondContact OD1-CB 3.39Å; N155-K157 PolarHBondContact OD1-N 3.14Å; N155-E158 HydrophobicContact CB-CG 4.38Å; N155-E158 PolarHBondContact ND2-OE1 2.88Å; N155-E158 PolarHBondContact O-N 3Å
156	L	94.7	Very high	94	Very high	30 Å²	30	49.7 Å²	49.7	16%	0.157	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.8	-19.7	-177	-51.8	-173.3	0	0	0	113.2	D95 L123 F146 H154 E158 Y159 W161	D95-L156 HydrophobicContact CB-CD1 3.66Å; D95-L156 WeakPolarHBondContact OD2-CD1 3.22Å; L123-L156 HydrophobicContact CB-CD1 3.96Å; L123-L156 HydrophobicContact CB-CD2 4.36Å; L123-L156 HydrophobicContact CD1-CD1 4.43Å; L123-L156 HydrophobicContact CD1-CD2 4.46Å; F146-L156 HydrophobicContact CE1-CD2 3.7Å; F146-L156 HydrophobicContact CZ-CD2 3.68Å; H154-L156 VanDerWaalsContact C-N 3.34Å; H154-L156 PolarHBondContact O-N 2.91Å; L156-E158 PolarHBondContact O-N 2.8Å; L156-Y159 WeakPolarHBondContact O-CD1 3.31Å; L156-Y159 WeakPolarHBondContact O-CE1 3.28Å; L156-Y159 PolarHBondContact O-N 3.06Å; L156-Y159 PolarHBondContact O-OH 2.7Å; L156-W161 HydrophobicContact CD2-CG 4.43Å; L156-W161 PolarHBondContact O-NE1 3.12Å
157	K	92.6	Very high	93.3	Very high	148 Å²	148	48.5 Å²	48.5	64%	0.643	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-67.9	-10.8	174.5	-57.6	172.7	-176.8	168.4	0	114.3	N155 Y159 Y270	N155-K157 PolarHBondContact O-N 2.8Å; N155-K157 WeakPolarHBondContact OD1-CB 3.39Å; N155-K157 PolarHBondContact OD1-N 3.14Å; K157-Y159 VanDerWaalsContact C-CE2 3.41Å; K157-Y159 WeakPolarHBondContact CA-OH 3.4Å; K157-Y159 WeakPolarHBondContact O-CE2 3.43Å; K157-Y270 WeakPolarHBondContact O-CE2 3.25Å
158	E	94.4	Very high	92.5	Very high	29 Å²	29	41.7 Å²	41.7	14%	0.136	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-107.8	-1.2	179.3	-62.9	173.2	-141.1	0	0	112.9	N155 L156 R160 Y270	N155-E158 HydrophobicContact CB-CG 4.38Å; N155-E158 PolarHBondContact ND2-OE1 2.88Å; N155-E158 PolarHBondContact O-N 3Å; L156-E158 PolarHBondContact O-N 2.8Å; E158-R160 HydrophobicContact CB-CG 4.18Å; E158-R160 PolarHBondContact O-N 2.9Å; E158-R160 IonicContact OE2-CZ 2.73Å; E158-R160 IonicContact OE2-NE 3.94Å; E158-R160 PolarHBondContact OE2-NE 2.96Å; E158-R160 IonicContact OE2-NH2 3.54Å; E158-R160 PolarHBondContact OE2-NH2 3.34Å; E158-Y270 HydrophobicContact CB-CD1 4.27Å; E158-Y270 HydrophobicContact CG-CD1 4.18Å; E158-Y270 HydrophobicContact CG-CE1 4.17Å
159	Y	93.2	Very high	91.1	Very high	10 Å²	10	36.9 Å²	36.9	4%	0.039	18%	0.177	C	C	.	.			trans	55.8	10.5	173.3	-54.9	-69.2	0	0	0	117.6	L2 L156 K157 W161 K162 P163 Y270 D271	L2-Y159 WeakPolarHBondContact CA-OH 3.35Å; L2-Y159 HydrophobicContact CB-CD2 4.4Å; L2-Y159 HydrophobicContact CB-CE1 4.24Å; L2-Y159 HydrophobicContact CB-CE2 3.37Å; L2-Y159 WeakPolarHBondContact CB-OH 3.42Å; L2-Y159 HydrophobicContact CD1-CE2 3.97Å; L2-Y159 HydrophobicContact CG-CE2 4.32Å; L2-Y159 PolarHBondContact N-OH 3.38Å; L2-Y159 PolarHBondContact O-OH 2.93Å; L156-Y159 WeakPolarHBondContact O-CD1 3.31Å; L156-Y159 WeakPolarHBondContact O-CE1 3.28Å; L156-Y159 PolarHBondContact O-N 3.06Å; L156-Y159 PolarHBondContact O-OH 2.7Å; K157-Y159 VanDerWaalsContact C-CE2 3.41Å; K157-Y159 WeakPolarHBondContact CA-OH 3.4Å; K157-Y159 WeakPolarHBondContact O-CE2 3.43Å; Y159-W161 AromaticContact CD1-CE2 3.85Å; Y159-W161 AromaticContact CD1-CZ2 3.6Å; Y159-W161 HydrophobicContact CD1-CZ2 3.6Å; Y159-W161 AromaticContact CD1-NE1 3.83Å; Y159-W161 HydrophobicContact CE1-CZ2 4.01Å; Y159-W161 PolarHBondContact O-N 3.02Å; Y159-K162 WeakPolarHBondContact O-CB 3.23Å; Y159-K162 PolarHBondContact O-N 3.27Å; Y159-P163 WeakPolarHBondContact O-CD 3.38Å; Y159-Y270 HydrophobicContact CD2-CD2 4.27Å; Y159-Y270 HydrophobicContact CE2-CD2 4.29Å; Y159-D271 WeakPolarHBondContact CB-OD1 3.5Å; Y159-D271 WeakPolarHBondContact CD2-OD1 3.4Å
160	R	95.5	Very high	89.1	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-29	175.7	-61.5	174.7	-174.3	-91.7	1.8	113.8	V153 E158 K162 P163 I164 A239 K241 K242 M245 G246	V153-R160 HydrophobicContact CG1-CB 4.29Å; V153-R160 HydrophobicContact CG2-CB 4.18Å; E158-R160 HydrophobicContact CB-CG 4.18Å; E158-R160 PolarHBondContact O-N 2.9Å; E158-R160 IonicContact OE2-CZ 2.73Å; E158-R160 IonicContact OE2-NE 3.94Å; E158-R160 PolarHBondContact OE2-NE 2.96Å; E158-R160 IonicContact OE2-NH2 3.54Å; E158-R160 PolarHBondContact OE2-NH2 3.34Å; R160-K162 VanDerWaalsContact C-N 3.33Å; R160-K162 PolarHBondContact O-N 3.31Å; R160-P163 WeakPolarHBondContact O-CD 3.47Å; R160-P163 WeakPolarHBondContact O-CG 3.4Å; R160-I164 WeakPolarHBondContact O-CD1 3.31Å; R160-I164 WeakPolarHBondContact O-CG1 3.47Å; R160-A239 HydrophobicContact CB-CB 4.02Å; R160-A239 VanDerWaalsContact CD-O 3.26Å; R160-A239 WeakPolarHBondContact CD-O 3.4Å; R160-A239 HydrophobicContact CG-CB 4.32Å; R160-A239 WeakPolarHBondContact CG-O 3.34Å; R160-A239 PolarHBondContact NH1-O 2.77Å; R160-K241 PolarHBondContact NH1-O 3.07Å; R160-K242 PolarHBondContact NH1-O 2.87Å; R160-K242 PolarHBondContact NH2-O 2.92Å; R160-M245 HydrophobicContact CB-SD 4.44Å; R160-M245 HydrophobicContact CG-CB 4.33Å; R160-M245 HydrophobicContact CG-CG 4.27Å; R160-M245 HydrophobicContact CG-SD 4.03Å; R160-G246 VanDerWaalsContact NH2-N 3.15Å; R160-G246 PolarHBondContact NH2-O 2.99Å; R160-G246 VanDerWaalsContact NH2-O 3.13Å
161	W	94.2	Very high	86.7	Confident	14 Å²	14	45.1 Å²	45.1	5%	0.053	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-32.1	174.7	54.9	-99.2	0	0	0	113.4	A93 L123 F144 L156 Y159 I164 I165	A93-W161 HydrophobicContact CB-CE3 4.18Å; A93-W161 HydrophobicContact CB-CH2 4.08Å; A93-W161 HydrophobicContact CB-CZ3 3.54Å; L123-W161 HydrophobicContact CD1-CD2 3.77Å; L123-W161 HydrophobicContact CD1-CE3 3.98Å; L123-W161 HydrophobicContact CD1-CG 4.34Å; L123-W161 HydrophobicContact CD1-CH2 4.01Å; L123-W161 HydrophobicContact CD1-CZ2 3.81Å; L123-W161 HydrophobicContact CD1-CZ3 4.1Å; L123-W161 HydrophobicContact CD2-CB 4.38Å; L123-W161 HydrophobicContact CD2-CD2 4.3Å; L123-W161 HydrophobicContact CD2-CE3 4.33Å; L123-W161 HydrophobicContact CD2-CG 4.35Å; F144-W161 HydrophobicContact CE1-CB 4.3Å; F144-W161 HydrophobicContact CE2-CB 4.1Å; F144-W161 HydrophobicContact CZ-CB 3.95Å; L156-W161 HydrophobicContact CD2-CG 4.43Å; L156-W161 PolarHBondContact O-NE1 3.12Å; Y159-W161 AromaticContact CD1-CE2 3.85Å; Y159-W161 AromaticContact CD1-CZ2 3.6Å; Y159-W161 HydrophobicContact CD1-CZ2 3.6Å; Y159-W161 AromaticContact CD1-NE1 3.83Å; Y159-W161 HydrophobicContact CE1-CZ2 4.01Å; Y159-W161 PolarHBondContact O-N 3.02Å; W161-I164 PolarHBondContact O-N 2.87Å; W161-I165 HydrophobicContact CE3-CD1 3.68Å; W161-I165 HydrophobicContact CZ3-CD1 4.11Å; W161-I165 WeakPolarHBondContact O-CB 3.48Å; W161-I165 WeakPolarHBondContact O-CG1 3.31Å; W161-I165 PolarHBondContact O-N 2.92Å
162	K	92	Very high	84.3	Confident	27 Å²	27	39.7 Å²	39.7	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-57.5	-179.4	-71.8	-177	-171	172.7	0	114.2	Y159 R160 I164 I165 I166 A216 D271	Y159-K162 WeakPolarHBondContact O-CB 3.23Å; Y159-K162 PolarHBondContact O-N 3.27Å; R160-K162 VanDerWaalsContact C-N 3.33Å; R160-K162 PolarHBondContact O-N 3.31Å; K162-I164 PolarHBondContact O-N 3.14Å; K162-I165 WeakPolarHBondContact O-CB 3.45Å; K162-I165 PolarHBondContact O-N 2.87Å; K162-I165 VanDerWaalsContact O-N 3.14Å; K162-I166 WeakPolarHBondContact O-CG1 3.34Å; K162-I166 PolarHBondContact O-N 3.3Å; K162-A216 PolarHBondContact NZ-O 3.46Å; K162-D271 VanDerWaalsContact CD-OD2 3.23Å; K162-D271 WeakPolarHBondContact CD-OD2 3.38Å; K162-D271 WeakPolarHBondContact CE-OD2 3.35Å; K162-D271 IonicContact NZ-OD1 2.72Å; K162-D271 IonicContact NZ-OD2 2.7Å; K162-D271 PolarHBondContact NZ-OD2 2.94Å
163	P	90.5	Very high	81.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-34.1	178.3	22.9	-33.7	0	0	0	111.9	Y159 R160 I166 A167 Y235 V236 A239 M245	Y159-P163 WeakPolarHBondContact O-CD 3.38Å; R160-P163 WeakPolarHBondContact O-CD 3.47Å; R160-P163 WeakPolarHBondContact O-CG 3.4Å; P163-I166 PolarHBondContact O-N 2.88Å; P163-A167 WeakPolarHBondContact O-CB 3.25Å; P163-A167 PolarHBondContact O-N 3.08Å; P163-Y235 HydrophobicContact CB-CD1 3.66Å; P163-Y235 HydrophobicContact CB-CD2 3.96Å; P163-Y235 HydrophobicContact CB-CE1 3.85Å; P163-Y235 HydrophobicContact CB-CE2 4.13Å; P163-Y235 HydrophobicContact CB-CG 3.71Å; P163-Y235 HydrophobicContact CG-CD2 4.19Å; P163-Y235 HydrophobicContact CG-CE2 4.12Å; P163-Y235 HydrophobicContact CG-CG 4.44Å; P163-V236 HydrophobicContact CB-CG2 3.84Å; P163-V236 WeakPolarHBondContact O-CG2 3.41Å; P163-A239 HydrophobicContact CG-CB 3.5Å; P163-A239 VanDerWaalsContact CG-CB 3.5Å; P163-M245 HydrophobicContact CG-CE 4.15Å; P163-M245 HydrophobicContact CG-SD 4.33Å
164	I	90.9	Very high	78.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-41.9	175.4	-62.7	170.9	0	0	0	110.9	F144 Y149 V153 R160 W161 K162 N168 L240	F144-I164 HydrophobicContact CE2-CB 4.12Å; F144-I164 HydrophobicContact CE2-CG2 3.74Å; F144-I164 HydrophobicContact CZ-CB 4.05Å; F144-I164 HydrophobicContact CZ-CD1 4.36Å; F144-I164 HydrophobicContact CZ-CG2 3.67Å; Y149-I164 HydrophobicContact CD1-CD1 4.22Å; Y149-I164 HydrophobicContact CD2-CG2 4.35Å; Y149-I164 HydrophobicContact CE1-CG2 3.87Å; Y149-I164 HydrophobicContact CE2-CG2 3.66Å; Y149-I164 HydrophobicContact CG-CD1 4.24Å; Y149-I164 WeakPolarHBondContact OH-CG2 3.27Å; V153-I164 HydrophobicContact CG1-CD1 3.86Å; V153-I164 HydrophobicContact CG2-CD1 4.24Å; R160-I164 WeakPolarHBondContact O-CD1 3.31Å; R160-I164 WeakPolarHBondContact O-CG1 3.47Å; W161-I164 PolarHBondContact O-N 2.87Å; K162-I164 PolarHBondContact O-N 3.14Å; I164-N168 WeakPolarHBondContact CG2-ND2 3.36Å; I164-N168 WeakPolarHBondContact O-CB 3.39Å; I164-N168 VanDerWaalsContact O-CG 3.31Å; I164-N168 PolarHBondContact O-N 3.5Å; I164-N168 PolarHBondContact O-ND2 3.41Å; I164-L240 HydrophobicContact CD1-CD2 3.85Å; I164-L240 HydrophobicContact CD1-CG 4.46Å
165	I	89.6	Confident	76.5	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-50.3	170.8	-78	174.1	0	0	0	111.3	L91 A93 Y121 F144 W161 K162 A167 N168 N169	L91-I165 HydrophobicContact CD1-CG2 3.95Å; A93-I165 HydrophobicContact CB-CD1 3.92Å; Y121-I165 VanDerWaalsContact CB-CD1 3.44Å; Y121-I165 HydrophobicContact CD1-CD1 4.08Å; Y121-I165 HydrophobicContact CD1-CG1 3.87Å; Y121-I165 HydrophobicContact CD2-CB 4.37Å; Y121-I165 HydrophobicContact CD2-CD1 3.72Å; Y121-I165 HydrophobicContact CD2-CG1 3.85Å; Y121-I165 HydrophobicContact CD2-CG2 3.66Å; Y121-I165 HydrophobicContact CE1-CG1 4.16Å; Y121-I165 HydrophobicContact CE2-CB 4.34Å; Y121-I165 HydrophobicContact CE2-CD1 4.48Å; Y121-I165 HydrophobicContact CE2-CG1 4.15Å; Y121-I165 HydrophobicContact CE2-CG2 3.54Å; Y121-I165 HydrophobicContact CG-CD1 3.46Å; Y121-I165 VanDerWaalsContact CG-CD1 3.46Å; Y121-I165 HydrophobicContact CG-CG1 3.69Å; Y121-I165 HydrophobicContact CG-CG2 4.39Å; F144-I165 HydrophobicContact CD2-CD1 4.21Å; F144-I165 HydrophobicContact CD2-CG1 3.76Å; F144-I165 HydrophobicContact CE2-CG1 3.86Å; W161-I165 HydrophobicContact CE3-CD1 3.68Å; W161-I165 HydrophobicContact CZ3-CD1 4.11Å; W161-I165 WeakPolarHBondContact O-CB 3.48Å; W161-I165 WeakPolarHBondContact O-CG1 3.31Å; W161-I165 PolarHBondContact O-N 2.92Å; K162-I165 WeakPolarHBondContact O-CB 3.45Å; K162-I165 PolarHBondContact O-N 2.87Å; K162-I165 VanDerWaalsContact O-N 3.14Å; I165-A167 VanDerWaalsContact C-N 3.25Å; I165-A167 PolarHBondContact O-N 3.13Å; I165-N168 PolarHBondContact O-N 3.36Å; I165-N168 VanDerWaalsContact O-N 3.08Å; I165-N169 PolarHBondContact O-N 2.88Å
166	I	85.6	Confident	74.7	Confident	37 Å²	37	35.1 Å²	35.1	19%	0.19	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-37.9	-177.4	-67.3	160.2	0	0	0	110.7	K162 P163 R223 I232 Y235	K162-I166 WeakPolarHBondContact O-CG1 3.34Å; K162-I166 PolarHBondContact O-N 3.3Å; P163-I166 PolarHBondContact O-N 2.88Å; I166-R223 PolarHBondContact O-NH2 3.19Å; I166-I232 HydrophobicContact CG2-CD1 3.7Å; I166-I232 HydrophobicContact CG2-CG1 4.39Å; I166-Y235 HydrophobicContact CD1-CE1 4.25Å
167	A	82.7	Confident	73.8	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-72	-39.2	173	0	0	0	0	0	113.6	L69 P163 I165 R223 I232 V236	L69-A167 HydrophobicContact CD1-CB 3.98Å; L69-A167 HydrophobicContact CD2-CB 4.17Å; P163-A167 WeakPolarHBondContact O-CB 3.25Å; P163-A167 PolarHBondContact O-N 3.08Å; I165-A167 VanDerWaalsContact C-N 3.25Å; I165-A167 PolarHBondContact O-N 3.13Å; A167-R223 VanDerWaalsContact C-NH2 3.32Å; A167-R223 PolarHBondContact O-NH2 3.42Å; A167-I232 HydrophobicContact CB-CG2 4.09Å; A167-V236 HydrophobicContact CB-CG2 3.85Å
168	N	78.4	Confident	73.2	Confident	47 Å²	47	27.9 Å²	27.9	25%	0.251	15%	0.147	S	C	.	.	H	α-helix	trans	-72.2	-35.7	-179.5	-85.5	-31	0	0	0	114	L67 Y149 I164 I165 K170	L67-N168 WeakPolarHBondContact CD2-OD1 3.07Å; Y149-N168 PolarHBondContact OH-ND2 3.21Å; I164-N168 WeakPolarHBondContact CG2-ND2 3.36Å; I164-N168 WeakPolarHBondContact O-CB 3.39Å; I164-N168 VanDerWaalsContact O-CG 3.31Å; I164-N168 PolarHBondContact O-N 3.5Å; I164-N168 PolarHBondContact O-ND2 3.41Å; I165-N168 PolarHBondContact O-N 3.36Å; I165-N168 VanDerWaalsContact O-N 3.08Å; N168-K170 PolarHBondContact O-N 3.31Å
169	N	67.3	Low	72.8	Confident	23 Å²	23	26.5 Å²	26.5	12%	0.123	14%	0.141	C	C	.	.			trans	-68.1	97.9	-179.9	175.4	20	0	0	0	110.7	L91 I165 A171 R223	L91-N169 HydrophobicContact CD1-CB 4.01Å; L91-N169 HydrophobicContact CD2-CB 4.03Å; L91-N169 VanDerWaalsContact CD2-ND2 3.3Å; L91-N169 WeakPolarHBondContact CD2-ND2 3.35Å; I165-N169 PolarHBondContact O-N 2.88Å; N169-A171 PolarHBondContact O-N 3.32Å; N169-A171 PolarHBondContact OD1-N 2.9Å; N169-R223 PolarHBondContact O-NE 2.69Å; N169-R223 PolarHBondContact O-NH2 2.68Å
170	K	54.1	Low	72.2	Confident	166 Å²	166	26.7 Å²	26.7	72%	0.722	14%	0.142	S	C	*	.			trans	-65.2	-7.9	-173.2	-66.1	179.7	-177.1	174.2	0	114.8	N168	N168-K170 PolarHBondContact O-N 3.31Å
171	A	46.3	Very low	71.7	Confident	44 Å²	44	27.2 Å²	27.2	36%	0.364	15%	0.146	S	C	.	.			trans	-81.7	131.9	174.3	0	0	0	0	0	113.2	V89 N169	V89-A171 HydrophobicContact CG2-CB 4.13Å; N169-A171 PolarHBondContact O-N 3.32Å; N169-A171 PolarHBondContact OD1-N 2.9Å
172	G	45.5	Very low	71.5	Confident	21 Å²	21	29.1 Å²	29.1	22%	0.216	16%	0.162	C	C	.	.			trans	126.2	99.4	143.9	0	0	0	0	0	121.9	R223	G172-R223 VanDerWaalsContact O-CB 3.23Å; G172-R223 WeakPolarHBondContact O-CB 3.22Å; G172-R223 VanDerWaalsContact O-CG 3.25Å; G172-R223 WeakPolarHBondContact O-CG 3.13Å; G172-R223 PolarHBondContact O-N 3.29Å
173	P	39	Very low	71.4	Confident	10 Å²	10	29.5 Å²	29.5	7%	0.065	17%	0.167	C	C	.	.	B	Isolated β-bridge		74.3	14.5	116.6	-7	25.9	0	0	0	131.7	I77 P79 F82 F222	I77-P173 HydrophobicContact CB-CB 4.14Å; I77-P173 HydrophobicContact CB-CG 3.59Å; I77-P173 HydrophobicContact CD1-CB 3.99Å; I77-P173 HydrophobicContact CD1-CG 3.51Å; I77-P173 HydrophobicContact CG1-CB 3.63Å; I77-P173 HydrophobicContact CG1-CG 3.42Å; I77-P173 VanDerWaalsContact CG1-CG 3.42Å; I77-P173 HydrophobicContact CG2-CG 3.85Å; P79-P173 WeakPolarHBondContact CA-O 3.23Å; P79-P173 WeakPolarHBondContact CB-O 3.5Å; F82-P173 HydrophobicContact CB-CB 3.24Å; F82-P173 HydrophobicContact CB-CG 3.52Å; F82-P173 HydrophobicContact CD1-CB 3.49Å; F82-P173 VanDerWaalsContact CD1-CB 3.49Å; F82-P173 HydrophobicContact CD1-CG 3.9Å; F82-P173 HydrophobicContact CD2-CB 3.8Å; F82-P173 HydrophobicContact CD2-CG 3.24Å; F82-P173 HydrophobicContact CE1-CB 4.13Å; F82-P173 HydrophobicContact CE1-CG 4.31Å; F82-P173 HydrophobicContact CE2-CB 4.36Å; F82-P173 HydrophobicContact CE2-CG 3.68Å; F82-P173 HydrophobicContact CG-CB 3.26Å; F82-P173 HydrophobicContact CG-CG 3.31Å; F82-P173 HydrophobicContact CZ-CG 4.2Å; P173-F222 VanDerWaalsContact O-CD1 3.28Å; P173-F222 WeakPolarHBondContact O-CD1 3.49Å
174	K	32.7	Very low	71.5	Confident	65 Å²	65	31.6 Å²	31.6	28%	0.283	19%	0.188	S	C	.	.			trans	60.3	110.6	174.7	-102.5	-142.6	171.3	112.4	0	119.2	I77 P79 F222 R223 T224	I77-K174 HydrophobicContact CG1-CB 4Å; I77-K174 HydrophobicContact CG1-CG 3.9Å; I77-K174 VanDerWaalsContact CG1-N 3.27Å; I77-K174 WeakPolarHBondContact O-CD 3.44Å; I77-K174 WeakPolarHBondContact O-CE 3.48Å; I77-K174 WeakPolarHBondContact O-CG 3.44Å; I77-K174 PolarHBondContact O-NZ 3.18Å; P79-K174 HydrophobicContact CB-CB 4.42Å; P79-K174 VanDerWaalsContact CD-CB 3.45Å; P79-K174 HydrophobicContact CG-CB 3.7Å; P79-K174 WeakPolarHBondContact CG-O 3.27Å; K174-F222 WeakPolarHBondContact O-CB 3.27Å; K174-F222 WeakPolarHBondContact O-CG 3.48Å; K174-R223 WeakPolarHBondContact CA-O 3.38Å; K174-R223 VanDerWaalsContact N-N 3.18Å; K174-R223 PolarHBondContact N-O 3.38Å; K174-T224 HydrophobicContact CB-CG2 3.7Å; K174-T224 HydrophobicContact CD-CG2 3.41Å; K174-T224 VanDerWaalsContact CD-CG2 3.41Å; K174-T224 HydrophobicContact CG-CG2 3.32Å
175	F	52.6	Low	71.7	Confident	27 Å²	27	32 Å²	32	12%	0.118	19%	0.19	C	C	.	.			trans	-44.1	150.1	165.6	165.3	-60.4	0	0	0	112.7	I177 F222 T224 A227 I231 L279 L283	F175-I177 HydrophobicContact CD2-CB 3.58Å; F175-I177 HydrophobicContact CD2-CD1 3.81Å; F175-I177 HydrophobicContact CD2-CG1 3.55Å; F175-I177 HydrophobicContact CE2-CB 3.67Å; F175-I177 HydrophobicContact CE2-CD1 4.22Å; F175-I177 HydrophobicContact CE2-CG1 4.1Å; F175-I177 HydrophobicContact CG-CG1 4.46Å; F175-F222 WeakPolarHBondContact CA-O 3.41Å; F175-F222 WeakPolarHBondContact CB-O 3.46Å; F175-F222 VanDerWaalsContact N-C 3.3Å; F175-F222 VanDerWaalsContact N-CB 3.3Å; F175-F222 PolarHBondContact N-O 3.37Å; F175-T224 HydrophobicContact CB-CG2 3.73Å; F175-T224 WeakPolarHBondContact CB-OG1 3.41Å; F175-T224 VanDerWaalsContact N-CG2 3.29Å; F175-T224 WeakPolarHBondContact O-CG2 3.4Å; F175-A227 HydrophobicContact CB-CB 3.45Å; F175-A227 VanDerWaalsContact CB-CB 3.45Å; F175-A227 HydrophobicContact CD2-CB 3.78Å; F175-A227 HydrophobicContact CG-CB 3.97Å; F175-I231 HydrophobicContact CE2-CG1 4.1Å; F175-L279 HydrophobicContact CE2-CD2 3.76Å; F175-L279 HydrophobicContact CZ-CD2 4.03Å; F175-L283 HydrophobicContact CZ-CD1 4.24Å
176	S	57.1	Low	72	Confident	30 Å²	30	31.6 Å²	31.6	21%	0.21	19%	0.188	C	C	.	.			cis	-53.1	124.5	29	-51.4	0	0	0	0	118.9	V178 F222	S176-V178 VanDerWaalsContact CB-CG2 3.48Å; S176-F222 WeakPolarHBondContact O-CD2 3.39Å
177	I	75.3	Confident	72.6	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.021	18%	0.179	C	C	.	.			trans	-76.5	114.9	150.7	-75.7	164.5	0	0	0	105	F175 L179 V219 L220 A221 A227 I231 I232 L279	F175-I177 HydrophobicContact CD2-CB 3.58Å; F175-I177 HydrophobicContact CD2-CD1 3.81Å; F175-I177 HydrophobicContact CD2-CG1 3.55Å; F175-I177 HydrophobicContact CE2-CB 3.67Å; F175-I177 HydrophobicContact CE2-CD1 4.22Å; F175-I177 HydrophobicContact CE2-CG1 4.1Å; F175-I177 HydrophobicContact CG-CG1 4.46Å; I177-L179 HydrophobicContact CG2-CD2 4.48Å; I177-V219 HydrophobicContact CG2-CG1 3.65Å; I177-L220 WeakPolarHBondContact CA-O 3.46Å; I177-A221 HydrophobicContact CG1-CB 4.23Å; I177-A227 HydrophobicContact CD1-CB 4.46Å; I177-I231 HydrophobicContact CD1-CG2 4.09Å; I177-I232 HydrophobicContact CD1-CD1 3.8Å; I177-I232 HydrophobicContact CD1-CG1 4.23Å; I177-L279 HydrophobicContact CB-CD2 4.46Å; I177-L279 HydrophobicContact CG2-CD1 4.45Å
178	V	79.5	Confident	73.3	Confident	22 Å²	22	32.2 Å²	32.2	13%	0.133	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.2	-179.1	-170.5	0	0	0	0	109	S176 H180 L220 S292	S176-V178 VanDerWaalsContact CB-CG2 3.48Å; V178-H180 PolarHBondContact O-CD2 3.31Å; V178-H180 PolarHBondContact O-NE2 2.99Å; V178-L220 HydrophobicContact CB-CB 4.27Å; V178-L220 PolarHBondContact N-O 3Å; V178-L220 PolarHBondContact O-N 3.38Å; V178-L220 VanDerWaalsContact O-N 3.09Å; V178-S292 VanDerWaalsContact CG1-N 3.34Å
179	L	85.7	Confident	74.2	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150.8	168.2	-53.5	-175.3	0	0	0	108.8	I177 Y214 V219 L275 N276 L279 W290 S291 S292	I177-L179 HydrophobicContact CG2-CD2 4.48Å; L179-Y214 HydrophobicContact CB-CG 4.31Å; L179-V219 HydrophobicContact CD2-CB 4.38Å; L179-V219 HydrophobicContact CD2-CG1 3.98Å; L179-V219 HydrophobicContact CD2-CG2 3.76Å; L179-L275 HydrophobicContact CD2-CD2 3.9Å; L179-N276 WeakPolarHBondContact CD1-ND2 3.36Å; L179-N276 WeakPolarHBondContact CD1-OD1 3.07Å; L179-L279 HydrophobicContact CD1-CD1 3.72Å; L179-L279 HydrophobicContact CG-CD1 4Å; L179-W290 PolarHBondContact N-O 3.27Å; L179-S291 CarbonylContact O-C 3.55Å; L179-S291 VanDerWaalsContact O-CA 3.24Å; L179-S291 WeakPolarHBondContact O-CA 3.34Å; L179-S292 PolarHBondContact O-N 3.07Å
180	H	82.6	Confident	75.7	Confident	13 Å²	13	28.9 Å²	28.9	6%	0.06	17%	0.17	C	C	.	.			trans	-116.6	-67.8	-165.4	-65.3	-79.8	0	0	0	112.5	V178 Y214 L218 L220 S292 F297 Y298	V178-H180 PolarHBondContact O-CD2 3.31Å; V178-H180 PolarHBondContact O-NE2 2.99Å; H180-Y214 WeakPolarHBondContact O-CD1 3.38Å; H180-L218 HydrophobicContact CB-CD2 3.84Å; H180-L218 HydrophobicContact CB-CG 4.3Å; H180-L220 WeakPolarHBondContact NE2-CB 3.22Å; H180-L220 PolarHBondContact NE2-N 3.43Å; H180-S292 VanDerWaalsContact ND1-CB 3.29Å; H180-S292 WeakPolarHBondContact ND1-CB 3.37Å; H180-S292 PolarHBondContact ND1-OG 3.25Å; H180-F297 AromaticContact CE1-CZ 3.77Å; H180-F297 AromaticContact ND1-CE1 3.83Å; H180-F297 AromaticContact ND1-CZ 3.53Å; H180-Y298 HydrophobicContact CB-CD1 4.43Å; H180-Y298 HydrophobicContact CB-CE1 3.76Å; H180-Y298 HydrophobicContact CB-CE2 4.3Å; H180-Y298 PolarHBondContact O-OH 3Å; H180-Y298 VanDerWaalsContact O-OH 3.06Å
181	A	84.1	Confident	77.8	Confident	12 Å²	12	21 Å²	21	10%	0.099	14%	0.136	C	C	.	.	S	Bend	trans	-78.8	130.4	-179.1	0	0	0	0	0	111.5	Y214 Q215 Y298 I300	A181-Y214 CarbonylContact O-C 3.5Å; A181-Y214 WeakPolarHBondContact O-CA 3.33Å; A181-Q215 HydrophobicContact CB-CB 4.22Å; A181-Q215 HydrophobicContact CB-CG 4.11Å; A181-Q215 PolarHBondContact O-N 2.85Å; A181-Y298 WeakPolarHBondContact CA-OH 3.3Å; A181-Y298 HydrophobicContact CB-CE2 4.06Å; A181-Y298 PolarHBondContact N-OH 2.98Å; A181-I300 HydrophobicContact CB-CD1 3.91Å
182	S	89	Confident	80.2	Confident	54 Å²	54	18.9 Å²	18.9	38%	0.378	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	160.8	167.2	-175.2	0	0	0	0	111.2	G184 Q215	S182-G184 PolarHBondContact OG-N 3.47Å; S182-Q215 PolarHBondContact O-NE2 3.41Å
183	T	91	Very high	82.7	Confident	36 Å²	36	20.6 Å²	20.6	22%	0.221	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-12.3	170.5	63.2	0	0	0	0	113.6	H185 M213 Q215	T183-H185 VanDerWaalsContact C-N 3.29Å; T183-H185 PolarHBondContact OG1-CE1 3.27Å; T183-H185 PolarHBondContact OG1-N 3.25Å; T183-H185 PolarHBondContact OG1-ND1 2.96Å; T183-H185 PolarHBondContact OG1-O 2.84Å; T183-M213 WeakPolarHBondContact CB-O 3.41Å; T183-M213 HydrophobicContact CG2-CB 4.21Å; T183-M213 HydrophobicContact CG2-CG 4.05Å; T183-M213 VanDerWaalsContact CG2-O 3.31Å; T183-M213 WeakPolarHBondContact CG2-O 3.49Å; T183-M213 PolarHBondContact N-O 2.85Å; T183-M213 PolarHBondContact OG1-O 2.99Å; T183-Q215 HydrophobicContact CG2-CG 3.89Å
184	G	92.3	Very high	85.5	Confident	43 Å²	43	22.5 Å²	22.5	44%	0.443	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.1	17.3	-172	0	0	0	0	0	114.7	S182 H261	S182-G184 PolarHBondContact OG-N 3.47Å; G184-H261 PolarHBondContact O-ND1 2.7Å
185	H	95.4	Very high	88.6	Confident	8 Å²	8	19.4 Å²	19.4	4%	0.037	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	164.3	174.6	63.9	69.7	0	0	0	112.7	T183 S189 A190 M212 M213 F256 H261	T183-H185 VanDerWaalsContact C-N 3.29Å; T183-H185 PolarHBondContact OG1-CE1 3.27Å; T183-H185 PolarHBondContact OG1-N 3.25Å; T183-H185 PolarHBondContact OG1-ND1 2.96Å; T183-H185 PolarHBondContact OG1-O 2.84Å; H185-S189 PolarHBondContact ND1-OG 3.09Å; H185-A190 WeakPolarHBondContact CE1-CB 3.44Å; H185-M212 VanDerWaalsContact C-CE 3.49Å; H185-M213 PolarHBondContact O-N 2.88Å; H185-F256 HydrophobicContact CB-CE1 3.63Å; H185-F256 HydrophobicContact CB-CZ 3.74Å; H185-F256 AromaticContact CD2-CZ 3.75Å; H185-F256 AromaticContact CG-CZ 3.84Å; H185-H261 HydrophobicContact CB-CB 3.67Å
186	G	96.5	Very high	90.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	167.9	178.9	0	0	0	0	0	114.4	S189 M213 H261	G186-S189 PolarHBondContact N-OG 3.07Å; G186-S189 PolarHBondContact O-OG 2.97Å; G186-M213 WeakPolarHBondContact O-CB 3.43Å; G186-H261 PolarHBondContact N-O 3.33Å
187	I	97.6	Very high	92.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-70.8	-48.6	166.3	-68.6	169.1	0	0	0	110	S189 A190 T191 V206 A211 M213 N276 L277 A280 W290	I187-S189 VanDerWaalsContact C-N 3.28Å; I187-S189 PolarHBondContact O-N 3.13Å; I187-A190 PolarHBondContact O-N 2.69Å; I187-T191 WeakPolarHBondContact O-CB 3.5Å; I187-T191 PolarHBondContact O-N 3.04Å; I187-T191 PolarHBondContact O-OG1 3.17Å; I187-V206 HydrophobicContact CB-CG2 3.99Å; I187-V206 HydrophobicContact CG2-CG2 3.73Å; I187-A211 WeakPolarHBondContact CB-O 3.47Å; I187-A211 HydrophobicContact CD1-CB 4.37Å; I187-A211 VanDerWaalsContact CG1-O 3.27Å; I187-A211 WeakPolarHBondContact CG1-O 3.11Å; I187-A211 PolarHBondContact N-O 2.79Å; I187-M213 HydrophobicContact CG1-CB 4.04Å; I187-N276 HydrophobicContact CD1-CB 3.85Å; I187-N276 HydrophobicContact CG1-CB 3.88Å; I187-L277 HydrophobicContact CG2-CB 4.34Å; I187-L277 HydrophobicContact CG2-CD1 4.4Å; I187-A280 HydrophobicContact CD1-CB 3.63Å; I187-W290 HydrophobicContact CD1-CH2 4.46Å; I187-W290 HydrophobicContact CD1-CZ2 3.85Å
188	Y	98	Very high	93.9	Very high	51 Å²	51	23.8 Å²	23.8	20%	0.2	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-61.9	-33.3	179.2	-175.5	-105.6	0	0	0	113.6	A190 Y196 F203 V206 K207 L262	Y188-A190 PolarHBondContact O-N 2.71Å; Y188-Y196 WeakPolarHBondContact CA-OH 3.47Å; Y188-Y196 AromaticContact CD2-CE2 3.88Å; Y188-Y196 HydrophobicContact CD2-CE2 3.88Å; Y188-Y196 HydrophobicContact CE2-CE2 4.03Å; Y188-F203 HydrophobicContact CD2-CD1 4.08Å; Y188-F203 HydrophobicContact CD2-CE1 4.1Å; Y188-F203 AromaticContact CE2-CD1 3.85Å; Y188-F203 HydrophobicContact CE2-CD1 3.85Å; Y188-F203 AromaticContact CE2-CE1 3.75Å; Y188-F203 HydrophobicContact CE2-CE1 3.75Å; Y188-V206 WeakPolarHBondContact CB-O 3.21Å; Y188-V206 HydrophobicContact CD2-CG1 4.3Å; Y188-K207 HydrophobicContact CD1-CD 4Å; Y188-K207 HydrophobicContact CD1-CG 3.68Å; Y188-K207 HydrophobicContact CD2-CG 4.13Å; Y188-K207 HydrophobicContact CE1-CD 4Å; Y188-K207 HydrophobicContact CE1-CG 4.2Å; Y188-K207 HydrophobicContact CG-CD 4.29Å; Y188-K207 HydrophobicContact CG-CG 3.63Å; Y188-K207 VanDerWaalsContact CZ-CE 3.4Å; Y188-L262 WeakPolarHBondContact CD1-O 3.29Å
189	S	97.3	Very high	94.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-64.8	-26.2	-175.5	67	0	0	0	0	113.8	H185 G186 I187 H261 A263 A265	H185-S189 PolarHBondContact ND1-OG 3.09Å; G186-S189 PolarHBondContact N-OG 3.07Å; G186-S189 PolarHBondContact O-OG 2.97Å; I187-S189 VanDerWaalsContact C-N 3.28Å; I187-S189 PolarHBondContact O-N 3.13Å; S189-H261 WeakPolarHBondContact CB-O 3.14Å; S189-H261 PolarHBondContact OG-O 3.38Å; S189-A263 VanDerWaalsContact CA-O 3.23Å; S189-A263 WeakPolarHBondContact CA-O 3.45Å; S189-A263 WeakPolarHBondContact CB-O 3.39Å; S189-A265 VanDerWaalsContact O-CB 3.27Å; S189-A265 WeakPolarHBondContact O-CB 3.46Å; S189-A265 PolarHBondContact O-N 2.67Å
190	A	97.5	Very high	95.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-134.1	36	-170.6	0	0	0	0	0	113.2	H185 I187 Y188 M213 C267 H268 R269 S273	H185-A190 WeakPolarHBondContact CE1-CB 3.44Å; I187-A190 PolarHBondContact O-N 2.69Å; Y188-A190 PolarHBondContact O-N 2.71Å; A190-M213 HydrophobicContact CB-CE 3.97Å; A190-C267 CarbonylContact C-O 3.55Å; A190-C267 VanDerWaalsContact CA-O 3.27Å; A190-C267 WeakPolarHBondContact CA-O 3.31Å; A190-H268 WeakPolarHBondContact O-CA 3.46Å; A190-R269 HydrophobicContact CB-CG 4.01Å; A190-R269 PolarHBondContact O-N 3.35Å; A190-S273 PolarHBondContact O-OG 2.81Å
191	T	98.3	Very high	96	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-125.2	124.8	174.9	-59.9	0	0	0	0	108.6	I187 V195 Y196 Y264 C267 S273 L277	I187-T191 WeakPolarHBondContact O-CB 3.5Å; I187-T191 PolarHBondContact O-N 3.04Å; I187-T191 PolarHBondContact O-OG1 3.17Å; T191-V195 HydrophobicContact CG2-CB 3.79Å; T191-V195 HydrophobicContact CG2-CG1 4.07Å; T191-V195 HydrophobicContact CG2-CG2 3.87Å; T191-Y196 WeakPolarHBondContact CB-OH 3.44Å; T191-Y196 HydrophobicContact CG2-CE1 4.16Å; T191-Y196 HydrophobicContact CG2-CE2 4.03Å; T191-Y264 VanDerWaalsContact O-CE2 3.31Å; T191-Y264 WeakPolarHBondContact O-CE2 3.37Å; T191-C267 PolarHBondContact N-O 3.17Å; T191-S273 WeakPolarHBondContact OG1-CB 3.4Å; T191-L277 HydrophobicContact CG2-CD2 4.49Å
192	S	97.7	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.			trans	-61.4	139.3	178.9	169.6	0	0	0	0	111	E194 V195 P247 D249 H268	S192-E194 PolarHBondContact O-N 2.85Å; S192-E194 VanDerWaalsContact O-N 3.09Å; S192-E194 PolarHBondContact OG-N 2.99Å; S192-V195 WeakPolarHBondContact O-CB 3.43Å; S192-V195 WeakPolarHBondContact O-CG2 3.34Å; S192-V195 PolarHBondContact O-N 2.97Å; S192-P247 WeakPolarHBondContact OG-CG 3.29Å; S192-D249 PolarHBondContact OG-OD1 3.34Å; S192-H268 PolarHBondContact N-ND1 2.84Å
193	P	97.5	Very high	97.1	Very high	57 Å²	57	26.7 Å²	26.7	37%	0.37	14%	0.141	S	C	.	.	H	α-helix	trans	-51.2	-29	173.4	-29.5	36.6	0	0	0	114.7	V195 Y196 Y264	P193-V195 VanDerWaalsContact C-N 3.27Å; P193-V195 PolarHBondContact O-N 3.05Å; P193-Y196 PolarHBondContact O-N 3.42Å; P193-Y264 WeakPolarHBondContact CD-OH 3.31Å; P193-Y264 HydrophobicContact CG-CE1 4.16Å
194	E	97.9	Very high	97.3	Very high	51 Å²	51	31.7 Å²	31.7	24%	0.238	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-30.9	177.2	-59.8	-56.4	116.2	0	0	112.7	S192 Y196 K197 Y198 P247	S192-E194 PolarHBondContact O-N 2.85Å; S192-E194 VanDerWaalsContact O-N 3.09Å; S192-E194 PolarHBondContact OG-N 2.99Å; E194-Y196 VanDerWaalsContact C-N 3.29Å; E194-Y196 PolarHBondContact O-N 2.86Å; E194-K197 WeakPolarHBondContact O-CB 3.44Å; E194-K197 PolarHBondContact O-N 3.4Å; E194-K197 WeakPolarHBondContact OE1-CE 3.49Å; E194-K197 IonicContact OE1-NZ 3.5Å; E194-K197 PolarHBondContact OE1-NZ 2.86Å; E194-K197 WeakPolarHBondContact OE2-CD 3.12Å; E194-K197 WeakPolarHBondContact OE2-CE 3.36Å; E194-K197 IonicContact OE2-NZ 3.74Å; E194-K197 PolarHBondContact OE2-NZ 3.32Å; E194-Y198 WeakPolarHBondContact O-CD2 3.26Å; E194-P247 HydrophobicContact CB-CB 3.72Å; E194-P247 HydrophobicContact CB-CG 3.98Å; E194-P247 HydrophobicContact CG-CB 3.77Å; E194-P247 HydrophobicContact CG-CG 4.31Å
195	V	98.4	Very high	97.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-42.7	175.1	-174.9	0	0	0	0	110.3	T191 S192 P193 K197 Y198 I199 H268 V274 L277	T191-V195 HydrophobicContact CG2-CB 3.79Å; T191-V195 HydrophobicContact CG2-CG1 4.07Å; T191-V195 HydrophobicContact CG2-CG2 3.87Å; S192-V195 WeakPolarHBondContact O-CB 3.43Å; S192-V195 WeakPolarHBondContact O-CG2 3.34Å; S192-V195 PolarHBondContact O-N 2.97Å; P193-V195 VanDerWaalsContact C-N 3.27Å; P193-V195 PolarHBondContact O-N 3.05Å; V195-K197 PolarHBondContact O-N 3.2Å; V195-Y198 PolarHBondContact O-N 3.29Å; V195-I199 PolarHBondContact O-N 3.46Å; V195-H268 VanDerWaalsContact CG2-CE1 3.44Å; V195-H268 WeakPolarHBondContact CG2-CE1 3.48Å; V195-V274 HydrophobicContact CG1-CG2 4.1Å; V195-L277 HydrophobicContact CG1-CD2 3.77Å
196	Y	98.3	Very high	97.6	Very high	23 Å²	23	33.2 Å²	33.2	9%	0.09	16%	0.158	C	C	.	.	H	α-helix	trans	-68.2	-18	-178.8	-60.7	-55.6	0	0	0	113.6	Y188 T191 P193 E194 Y198 I199 T201 F203 L277	Y188-Y196 WeakPolarHBondContact CA-OH 3.47Å; Y188-Y196 AromaticContact CD2-CE2 3.88Å; Y188-Y196 HydrophobicContact CD2-CE2 3.88Å; Y188-Y196 HydrophobicContact CE2-CE2 4.03Å; T191-Y196 WeakPolarHBondContact CB-OH 3.44Å; T191-Y196 HydrophobicContact CG2-CE1 4.16Å; T191-Y196 HydrophobicContact CG2-CE2 4.03Å; P193-Y196 PolarHBondContact O-N 3.42Å; E194-Y196 VanDerWaalsContact C-N 3.29Å; E194-Y196 PolarHBondContact O-N 2.86Å; Y196-Y198 VanDerWaalsContact C-N 3.26Å; Y196-Y198 PolarHBondContact O-N 2.66Å; Y196-I199 WeakPolarHBondContact CA-O 3.14Å; Y196-T201 HydrophobicContact CD1-CG2 3.55Å; Y196-T201 HydrophobicContact CE1-CG2 3.49Å; Y196-T201 VanDerWaalsContact CE1-CG2 3.49Å; Y196-T201 HydrophobicContact CG-CG2 4.45Å; Y196-F203 HydrophobicContact CD1-CE1 4.19Å; Y196-F203 HydrophobicContact CD1-CZ 4.24Å; Y196-F203 AromaticContact CD2-CE1 3.77Å; Y196-F203 HydrophobicContact CD2-CE1 3.77Å; Y196-F203 AromaticContact CD2-CZ 3.92Å; Y196-F203 HydrophobicContact CD2-CZ 3.92Å; Y196-F203 HydrophobicContact CE1-CE1 4.33Å; Y196-F203 AromaticContact CE2-CE1 3.94Å; Y196-F203 HydrophobicContact CE2-CE1 3.94Å; Y196-F203 AromaticContact CG-CE1 3.92Å; Y196-F203 HydrophobicContact CG-CE1 3.92Å; Y196-F203 AromaticContact CG-CZ 3.76Å; Y196-F203 HydrophobicContact CG-CZ 3.76Å; Y196-L277 HydrophobicContact CD1-CD1 4.45Å; Y196-L277 HydrophobicContact CD1-CD2 3.79Å; Y196-L277 HydrophobicContact CE1-CD1 3.73Å; Y196-L277 HydrophobicContact CE1-CD2 3.55Å; Y196-L277 HydrophobicContact CE1-CG 4.29Å
197	K	98	Very high	97.6	Very high	103 Å²	103	37.4 Å²	37.4	45%	0.448	18%	0.177	S	C	.	.	H	α-helix	trans	-68.9	-26.3	170.2	-61.1	-178.5	-177.1	170	0	112.3	S54 E194 V195	S54-K197 WeakPolarHBondContact CB-O 3.41Å; S54-K197 PolarHBondContact N-O 2.61Å; S54-K197 PolarHBondContact OG-O 3.19Å; E194-K197 WeakPolarHBondContact O-CB 3.44Å; E194-K197 PolarHBondContact O-N 3.4Å; E194-K197 WeakPolarHBondContact OE1-CE 3.49Å; E194-K197 IonicContact OE1-NZ 3.5Å; E194-K197 PolarHBondContact OE1-NZ 2.86Å; E194-K197 WeakPolarHBondContact OE2-CD 3.12Å; E194-K197 WeakPolarHBondContact OE2-CE 3.36Å; E194-K197 IonicContact OE2-NZ 3.74Å; E194-K197 PolarHBondContact OE2-NZ 3.32Å; V195-K197 PolarHBondContact O-N 3.2Å
198	Y	98.3	Very high	97.5	Very high	26 Å²	26	39 Å²	39	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-105	-34.4	-178.7	-66	-69.1	0	0	0	113.3	Y43 S54 E194 V195 Y196 K241 D243 C244	Y43-Y198 WeakPolarHBondContact CB-O 3.49Å; S54-Y198 WeakPolarHBondContact O-CD1 3.33Å; E194-Y198 WeakPolarHBondContact O-CD2 3.26Å; V195-Y198 PolarHBondContact O-N 3.29Å; Y196-Y198 VanDerWaalsContact C-N 3.26Å; Y196-Y198 PolarHBondContact O-N 2.66Å; Y198-K241 HydrophobicContact CD1-CG 4.36Å; Y198-K241 HydrophobicContact CE1-CD 4.26Å; Y198-K241 HydrophobicContact CE1-CG 4Å; Y198-K241 HydrophobicContact CE2-CG 4.42Å; Y198-K241 VanDerWaalsContact CZ-CE 3.46Å; Y198-K241 WeakPolarHBondContact OH-CE 3.3Å; Y198-D243 HydrophobicContact CE2-CB 4.26Å; Y198-C244 HydrophobicContact CD2-CB 3.6Å; Y198-C244 HydrophobicContact CE2-CB 4.11Å; Y198-C244 HydrophobicContact CG-CB 4.01Å
199	I	98.2	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-126.7	80.2	179.8	-55.8	170.7	0	0	0	106.8	Y43 F56 V195 Y196 C238 V274 L277 L278	Y43-I199 HydrophobicContact CD1-CG2 3.99Å; Y43-I199 HydrophobicContact CD2-CG2 4.4Å; Y43-I199 HydrophobicContact CE1-CG2 3.81Å; Y43-I199 HydrophobicContact CE2-CG2 4.27Å; Y43-I199 HydrophobicContact CG-CG2 4.27Å; F56-I199 HydrophobicContact CZ-CG1 4.2Å; V195-I199 PolarHBondContact O-N 3.46Å; Y196-I199 WeakPolarHBondContact CA-O 3.14Å; I199-C238 HydrophobicContact CD1-CB 4.09Å; I199-V274 HydrophobicContact CD1-CG1 3.89Å; I199-L277 HydrophobicContact CB-CD2 4.12Å; I199-L277 HydrophobicContact CG2-CD2 3.88Å; I199-L277 HydrophobicContact CG2-CG 4.09Å; I199-L278 HydrophobicContact CD1-CD1 4.36Å; I199-L278 HydrophobicContact CD1-CD2 4.08Å; I199-L278 HydrophobicContact CD1-CG 4.21Å; I199-L278 HydrophobicContact CG2-CD2 3.8Å; I199-L278 HydrophobicContact CG2-CG 4.42Å
200	P	97.8	Very high	97	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.091	23%	0.225	C	C	.	.			trans	-59.9	166.6	176.6	24.7	-36.9	0	0	0	112.7	Y43 I51 N281	Y43-P200 HydrophobicContact CD1-CG 4.21Å; I51-P200 HydrophobicContact CG2-CB 3.59Å; I51-P200 HydrophobicContact CG2-CG 3.89Å; P200-N281 PolarHBondContact O-ND2 3.19Å
201	T	97.7	Very high	96.9	Very high	8 Å²	8	45.2 Å²	45.2	5%	0.049	23%	0.225	C	C	.	.			trans	-155.8	164	-171.3	-164.5	0	0	0	0	111.5	Y196 F203 V206 L277 N281 Y285	Y196-T201 HydrophobicContact CD1-CG2 3.55Å; Y196-T201 HydrophobicContact CE1-CG2 3.49Å; Y196-T201 VanDerWaalsContact CE1-CG2 3.49Å; Y196-T201 HydrophobicContact CG-CG2 4.45Å; T201-F203 HydrophobicContact CG2-CD1 3.85Å; T201-F203 HydrophobicContact CG2-CE1 3.66Å; T201-F203 HydrophobicContact CG2-CE2 4.43Å; T201-F203 HydrophobicContact CG2-CG 4.31Å; T201-F203 HydrophobicContact CG2-CZ 3.99Å; T201-F203 PolarHBondContact O-N 3.22Å; T201-V206 HydrophobicContact CG2-CB 4.38Å; T201-V206 HydrophobicContact CG2-CG1 3.85Å; T201-L277 HydrophobicContact CG2-CD1 4.42Å; T201-N281 WeakPolarHBondContact CB-OD1 3.15Å; T201-N281 PolarHBondContact OG1-OD1 3.03Å; T201-Y285 WeakPolarHBondContact OG1-CE1 3.46Å; T201-Y285 PolarHBondContact OG1-OH 3.16Å
202	D	97.2	Very high	96.8	Very high	54 Å²	54	46.8 Å²	46.8	29%	0.289	23%	0.233	S	C	.	.			trans	-81	103.1	167.8	-175.9	-23	0	0	0	109.6	N204 R205 V206 Y285	D202-N204 PolarHBondContact O-N 2.7Å; D202-N204 WeakPolarHBondContact OD1-CB 3.33Å; D202-N204 PolarHBondContact OD1-N 3.31Å; D202-R205 HydrophobicContact CB-CB 4.19Å; D202-R205 HydrophobicContact CB-CG 4.21Å; D202-R205 PolarHBondContact O-N 3.26Å; D202-R205 PolarHBondContact OD1-N 3.34Å; D202-R205 WeakPolarHBondContact OD2-CD 3.25Å; D202-R205 VanDerWaalsContact OD2-CG 3.29Å; D202-R205 WeakPolarHBondContact OD2-CG 3.2Å; D202-V206 WeakPolarHBondContact O-CG1 3.2Å; D202-V206 PolarHBondContact O-N 3.22Å; D202-Y285 HydrophobicContact CB-CE2 4Å; D202-Y285 PolarHBondContact N-OH 2.55Å
203	F	97.3	Very high	96.7	Very high	86 Å²	86	46.8 Å²	46.8	38%	0.377	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.7	-178.5	-75.7	-61	0	0	0	115.1	Y188 Y196 T201 V206 K207	Y188-F203 HydrophobicContact CD2-CD1 4.08Å; Y188-F203 HydrophobicContact CD2-CE1 4.1Å; Y188-F203 AromaticContact CE2-CD1 3.85Å; Y188-F203 HydrophobicContact CE2-CD1 3.85Å; Y188-F203 AromaticContact CE2-CE1 3.75Å; Y188-F203 HydrophobicContact CE2-CE1 3.75Å; Y196-F203 HydrophobicContact CD1-CE1 4.19Å; Y196-F203 HydrophobicContact CD1-CZ 4.24Å; Y196-F203 AromaticContact CD2-CE1 3.77Å; Y196-F203 HydrophobicContact CD2-CE1 3.77Å; Y196-F203 AromaticContact CD2-CZ 3.92Å; Y196-F203 HydrophobicContact CD2-CZ 3.92Å; Y196-F203 HydrophobicContact CE1-CE1 4.33Å; Y196-F203 AromaticContact CE2-CE1 3.94Å; Y196-F203 HydrophobicContact CE2-CE1 3.94Å; Y196-F203 AromaticContact CG-CE1 3.92Å; Y196-F203 HydrophobicContact CG-CE1 3.92Å; Y196-F203 AromaticContact CG-CZ 3.76Å; Y196-F203 HydrophobicContact CG-CZ 3.76Å; T201-F203 HydrophobicContact CG2-CD1 3.85Å; T201-F203 HydrophobicContact CG2-CE1 3.66Å; T201-F203 HydrophobicContact CG2-CE2 4.43Å; T201-F203 HydrophobicContact CG2-CG 4.31Å; T201-F203 HydrophobicContact CG2-CZ 3.99Å; T201-F203 PolarHBondContact O-N 3.22Å; F203-V206 HydrophobicContact CD1-CG1 4.07Å; F203-K207 WeakPolarHBondContact O-CB 3.35Å; F203-K207 WeakPolarHBondContact O-CD 3.44Å; F203-K207 WeakPolarHBondContact O-CE 3.03Å; F203-K207 WeakPolarHBondContact O-CG 3.41Å
204	N	95.9	Very high	96.5	Very high	141 Å²	141	45.5 Å²	45.5	75%	0.754	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-27.1	173.2	-61.9	-41.9	0	0	0	111.3	D202	D202-N204 PolarHBondContact O-N 2.7Å; D202-N204 WeakPolarHBondContact OD1-CB 3.33Å; D202-N204 PolarHBondContact OD1-N 3.31Å
205	R	96.8	Very high	96.2	Very high	84 Å²	84	44.4 Å²	44.4	32%	0.317	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-38	-172.8	-57	-175.3	75.1	-158.3	-2.3	112.8	D202 K207 S208 A211 N284 Y285	D202-R205 HydrophobicContact CB-CB 4.19Å; D202-R205 HydrophobicContact CB-CG 4.21Å; D202-R205 PolarHBondContact O-N 3.26Å; D202-R205 PolarHBondContact OD1-N 3.34Å; D202-R205 WeakPolarHBondContact OD2-CD 3.25Å; D202-R205 VanDerWaalsContact OD2-CG 3.29Å; D202-R205 WeakPolarHBondContact OD2-CG 3.2Å; R205-K207 PolarHBondContact O-N 2.84Å; R205-S208 WeakPolarHBondContact O-CB 3.48Å; R205-S208 PolarHBondContact O-N 2.82Å; R205-S208 PolarHBondContact O-OG 3.48Å; R205-A211 WeakPolarHBondContact O-CB 3.42Å; R205-N284 PolarHBondContact NH1-OD1 3.03Å; R205-N284 VanDerWaalsContact NH2-CG 3.31Å; R205-N284 PolarHBondContact NH2-ND2 3.32Å; R205-N284 VanDerWaalsContact NH2-ND2 3.1Å; R205-N284 PolarHBondContact NH2-O 2.7Å; R205-N284 PolarHBondContact NH2-OD1 3.34Å; R205-Y285 HydrophobicContact CB-CD1 4.06Å; R205-Y285 HydrophobicContact CB-CD2 3.59Å; R205-Y285 HydrophobicContact CB-CE1 4.44Å; R205-Y285 HydrophobicContact CB-CE2 4.01Å; R205-Y285 HydrophobicContact CB-CG 3.63Å; R205-Y285 HydrophobicContact CG-CD2 4.39Å
206	V	97.3	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.8	174.1	78.5	0	0	0	0	113.6	I187 Y188 T201 D202 F203 L277 Y285	I187-V206 HydrophobicContact CB-CG2 3.99Å; I187-V206 HydrophobicContact CG2-CG2 3.73Å; Y188-V206 WeakPolarHBondContact CB-O 3.21Å; Y188-V206 HydrophobicContact CD2-CG1 4.3Å; T201-V206 HydrophobicContact CG2-CB 4.38Å; T201-V206 HydrophobicContact CG2-CG1 3.85Å; D202-V206 WeakPolarHBondContact O-CG1 3.2Å; D202-V206 PolarHBondContact O-N 3.22Å; F203-V206 HydrophobicContact CD1-CG1 4.07Å; V206-L277 HydrophobicContact CG2-CD1 4.25Å; V206-Y285 HydrophobicContact CB-CD1 4.16Å; V206-Y285 HydrophobicContact CB-CE1 3.97Å; V206-Y285 HydrophobicContact CG2-CE1 4.43Å
207	K	96.4	Very high	95.2	Very high	88 Å²	88	44.7 Å²	44.7	38%	0.383	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	26.9	175.3	-63.1	-176.9	-163.4	-177.7	0	113	Y188 F203 R205	Y188-K207 HydrophobicContact CD1-CD 4Å; Y188-K207 HydrophobicContact CD1-CG 3.68Å; Y188-K207 HydrophobicContact CD2-CG 4.13Å; Y188-K207 HydrophobicContact CE1-CD 4Å; Y188-K207 HydrophobicContact CE1-CG 4.2Å; Y188-K207 HydrophobicContact CG-CD 4.29Å; Y188-K207 HydrophobicContact CG-CG 3.63Å; Y188-K207 VanDerWaalsContact CZ-CE 3.4Å; F203-K207 WeakPolarHBondContact O-CB 3.35Å; F203-K207 WeakPolarHBondContact O-CD 3.44Å; F203-K207 WeakPolarHBondContact O-CE 3.03Å; F203-K207 WeakPolarHBondContact O-CG 3.41Å; R205-K207 PolarHBondContact O-N 2.84Å
208	S	95.2	Very high	94.7	Very high	33 Å²	33	41.4 Å²	41.4	23%	0.231	21%	0.212	C	C	.	.	S	Bend	trans	-122.6	161.4	-176.7	76.9	0	0	0	0	112	R205 S210 A211	R205-S208 WeakPolarHBondContact O-CB 3.48Å; R205-S208 PolarHBondContact O-N 2.82Å; R205-S208 PolarHBondContact O-OG 3.48Å; S208-S210 PolarHBondContact O-N 3.43Å; S208-S210 VanDerWaalsContact O-N 3.14Å; S208-S210 PolarHBondContact OG-OG 2.77Å; S208-A211 PolarHBondContact O-N 3.03Å
209	M	93.8	Very high	94.1	Very high	138 Å²	138	42 Å²	42	68%	0.68	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.9	-179.6	-60.5	-169.2	-55.8	0	0	114.5	A211 M212 L262	M209-A211 VanDerWaalsContact C-N 3.3Å; M209-M212 WeakPolarHBondContact O-CG 3.46Å; M209-L262 HydrophobicContact CG-CD1 4Å
210	S	92.4	Very high	93.5	Very high	44 Å²	44	45.5 Å²	45.5	31%	0.308	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.1	173	69	0	0	0	0	113	S208 Y285 Q287	S208-S210 PolarHBondContact O-N 3.43Å; S208-S210 VanDerWaalsContact O-N 3.14Å; S208-S210 PolarHBondContact OG-OG 2.77Å; S210-Y285 CarbonylContact C-O 3.5Å; S210-Y285 WeakPolarHBondContact CB-O 3.43Å; S210-Y285 PolarHBondContact OG-O 3.28Å; S210-Q287 VanDerWaalsContact O-CB 3.31Å; S210-Q287 WeakPolarHBondContact O-CB 3.14Å; S210-Q287 PolarHBondContact O-N 3.48Å
211	A	94.7	Very high	92.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-114.8	48.4	179.7	0	0	0	0	0	111.8	I187 R205 S208 M209	I187-A211 WeakPolarHBondContact CB-O 3.47Å; I187-A211 HydrophobicContact CD1-CB 4.37Å; I187-A211 VanDerWaalsContact CG1-O 3.27Å; I187-A211 WeakPolarHBondContact CG1-O 3.11Å; I187-A211 PolarHBondContact N-O 2.79Å; R205-A211 WeakPolarHBondContact O-CB 3.42Å; S208-A211 PolarHBondContact O-N 3.03Å; M209-A211 VanDerWaalsContact C-N 3.3Å
212	M	95.3	Very high	92	Very high	33 Å²	33	47.8 Å²	47.8	16%	0.163	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	150	173.8	-54.3	-60.1	-81.6	0	0	111.6	H185 M209 L262 Q287	H185-M212 VanDerWaalsContact C-CE 3.49Å; M209-M212 WeakPolarHBondContact O-CG 3.46Å; M212-L262 HydrophobicContact SD-CD2 3.85Å; M212-Q287 VanDerWaalsContact CB-OE1 3.29Å
213	M	96.2	Very high	91.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.1	178.8	-170.1	-179.4	-61.8	0	0	111	T183 H185 G186 I187 A190 R269 Q272 N276	T183-M213 WeakPolarHBondContact CB-O 3.41Å; T183-M213 HydrophobicContact CG2-CB 4.21Å; T183-M213 HydrophobicContact CG2-CG 4.05Å; T183-M213 VanDerWaalsContact CG2-O 3.31Å; T183-M213 WeakPolarHBondContact CG2-O 3.49Å; T183-M213 PolarHBondContact N-O 2.85Å; T183-M213 PolarHBondContact OG1-O 2.99Å; H185-M213 PolarHBondContact O-N 2.88Å; G186-M213 WeakPolarHBondContact O-CB 3.43Å; I187-M213 HydrophobicContact CG1-CB 4.04Å; A190-M213 HydrophobicContact CB-CE 3.97Å; M213-R269 HydrophobicContact SD-CB 4.05Å; M213-R269 HydrophobicContact SD-CG 3.85Å; M213-Q272 HydrophobicContact CG-CG 4.25Å; M213-Q272 HydrophobicContact SD-CG 3.98Å; M213-Q272 PolarHBondContact SD-NE2 3.03Å; M213-N276 HydrophobicContact CG-CB 4.13Å
214	Y	92.9	Very high	90.3	Very high	30 Å²	30	42.2 Å²	42.2	12%	0.118	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	158.7	173.1	-74.3	-107.7	0	0	0	111	L179 H180 A181 Q272 N276 Q287 W290 S291	L179-Y214 HydrophobicContact CB-CG 4.31Å; H180-Y214 WeakPolarHBondContact O-CD1 3.38Å; A181-Y214 CarbonylContact O-C 3.5Å; A181-Y214 WeakPolarHBondContact O-CA 3.33Å; Y214-Q272 WeakPolarHBondContact O-CG 3.29Å; Y214-N276 PolarHBondContact N-OD1 2.95Å; Y214-N276 PolarHBondContact O-ND2 2.94Å; Y214-Q287 HydrophobicContact CE2-CB 4.09Å; Y214-W290 AromaticContact CD2-NE1 3.96Å; Y214-S291 VanDerWaalsContact CZ-CB 3.41Å
215	Q	91.5	Very high	89.6	Confident	28 Å²	28	39.9 Å²	39.9	13%	0.131	21%	0.209	C	C	.	.			trans	-77.5	139.1	-174.8	-61.4	-178	47.4	0	0	111.9	A181 S182 T183	A181-Q215 HydrophobicContact CB-CB 4.22Å; A181-Q215 HydrophobicContact CB-CG 4.11Å; A181-Q215 PolarHBondContact O-N 2.85Å; S182-Q215 PolarHBondContact O-NE2 3.41Å; T183-Q215 HydrophobicContact CG2-CG 3.89Å
216	A	89.9	Confident	88.9	Confident	2 Å²	2	39 Å²	39	2%	0.017	21%	0.209	C	C	.	.	S	Bend	trans	-106.6	41.5	-177.7	0	0	0	0	0	112.8	K162 V219 Q272 L275	K162-A216 PolarHBondContact NZ-O 3.46Å; A216-V219 HydrophobicContact CB-CG2 4.46Å; A216-Q272 HydrophobicContact CB-CB 3.81Å; A216-Q272 HydrophobicContact CB-CG 3.88Å; A216-L275 HydrophobicContact CB-CD2 4.12Å
217	G	86.1	Confident	88.3	Confident	27 Å²	27	39 Å²	39	28%	0.278	21%	0.209	S	C	.	.	S	Bend	trans	-123.9	-23.7	176.1	0	0	0	0	0	115
218	L	86.9	Confident	87.8	Confident	33 Å²	33	35 Å²	35	17%	0.173	19%	0.191	C	C	.	.	S	Bend	trans	-104.4	121.7	147.8	174.6	60.5	0	0	0	107.6	V7 H180 Y298 I300	V7-L218 HydrophobicContact CG1-CD1 4.1Å; V7-L218 HydrophobicContact CG1-CD2 3.76Å; V7-L218 HydrophobicContact CG1-CG 4.33Å; V7-L218 HydrophobicContact CG2-CB 3.8Å; V7-L218 HydrophobicContact CG2-CD1 4Å; V7-L218 HydrophobicContact CG2-CD2 4.48Å; V7-L218 HydrophobicContact CG2-CG 4.25Å; H180-L218 HydrophobicContact CB-CD2 3.84Å; H180-L218 HydrophobicContact CB-CG 4.3Å; L218-Y298 HydrophobicContact CD2-CD1 4.21Å; L218-Y298 HydrophobicContact CD2-CD2 4.17Å; L218-Y298 HydrophobicContact CD2-CG 3.9Å; L218-I300 HydrophobicContact CB-CD1 4.02Å
219	V	87.2	Confident	87.4	Confident	40 Å²	40	35.8 Å²	35.8	24%	0.242	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	112.3	178	-175.8	0	0	0	0	108	I177 L179 A216 A221	I177-V219 HydrophobicContact CG2-CG1 3.65Å; L179-V219 HydrophobicContact CD2-CB 4.38Å; L179-V219 HydrophobicContact CD2-CG1 3.98Å; L179-V219 HydrophobicContact CD2-CG2 3.76Å; A216-V219 HydrophobicContact CB-CG2 4.46Å; V219-A221 HydrophobicContact CG1-CB 4.11Å; V219-A221 PolarHBondContact O-N 2.84Å; V219-A221 VanDerWaalsContact O-N 3.12Å
220	L	84.7	Confident	87.2	Confident	72 Å²	72	30.5 Å²	30.5	38%	0.377	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	100.9	165.4	175.2	58	0	0	0	107.3	I177 V178 H180 F222	I177-L220 WeakPolarHBondContact CA-O 3.46Å; V178-L220 HydrophobicContact CB-CB 4.27Å; V178-L220 PolarHBondContact N-O 3Å; V178-L220 PolarHBondContact O-N 3.38Å; V178-L220 VanDerWaalsContact O-N 3.09Å; H180-L220 WeakPolarHBondContact NE2-CB 3.22Å; H180-L220 PolarHBondContact NE2-N 3.43Å; L220-F222 HydrophobicContact CD1-CD2 4.16Å; L220-F222 HydrophobicContact CD1-CE1 4.47Å; L220-F222 HydrophobicContact CD1-CE2 3.62Å; L220-F222 HydrophobicContact CD1-CZ 3.8Å; L220-F222 HydrophobicContact CD2-CE2 3.72Å; L220-F222 HydrophobicContact CD2-CZ 4.24Å; L220-F222 HydrophobicContact CG-CD2 4.02Å; L220-F222 HydrophobicContact CG-CE2 3.51Å; L220-F222 HydrophobicContact CG-CZ 4.16Å
221	A	84.2	Confident	87.1	Confident	41 Å²	41	28.5 Å²	28.5	34%	0.339	15%	0.152	S	C	.	.			trans	-110.9	140.1	-177.2	0	0	0	0	0	111.5	I177 V219	I177-A221 HydrophobicContact CG1-CB 4.23Å; V219-A221 HydrophobicContact CG1-CB 4.11Å; V219-A221 PolarHBondContact O-N 2.84Å; V219-A221 VanDerWaalsContact O-N 3.12Å
222	F	80.2	Confident	87	Confident	29 Å²	29	28.7 Å²	28.7	13%	0.127	15%	0.153	C	C	.	.			trans	-148.4	152.7	180	-61.9	-89.4	0	0	0	109.3	L83 P173 K174 F175 S176 L220 T224 A227	L83-F222 HydrophobicContact CD1-CE1 4.16Å; L83-F222 HydrophobicContact CD1-CZ 4.01Å; L83-F222 HydrophobicContact CD2-CE1 4.18Å; L83-F222 HydrophobicContact CG-CE1 4.39Å; P173-F222 VanDerWaalsContact O-CD1 3.28Å; P173-F222 WeakPolarHBondContact O-CD1 3.49Å; K174-F222 WeakPolarHBondContact O-CB 3.27Å; K174-F222 WeakPolarHBondContact O-CG 3.48Å; F175-F222 WeakPolarHBondContact CA-O 3.41Å; F175-F222 WeakPolarHBondContact CB-O 3.46Å; F175-F222 VanDerWaalsContact N-C 3.3Å; F175-F222 VanDerWaalsContact N-CB 3.3Å; F175-F222 PolarHBondContact N-O 3.37Å; S176-F222 WeakPolarHBondContact O-CD2 3.39Å; L220-F222 HydrophobicContact CD1-CD2 4.16Å; L220-F222 HydrophobicContact CD1-CE1 4.47Å; L220-F222 HydrophobicContact CD1-CE2 3.62Å; L220-F222 HydrophobicContact CD1-CZ 3.8Å; L220-F222 HydrophobicContact CD2-CE2 3.72Å; L220-F222 HydrophobicContact CD2-CZ 4.24Å; L220-F222 HydrophobicContact CG-CD2 4.02Å; L220-F222 HydrophobicContact CG-CE2 3.51Å; L220-F222 HydrophobicContact CG-CZ 4.16Å; F222-T224 PolarHBondContact O-N 3.35Å; F222-A227 WeakPolarHBondContact O-CB 3.46Å
223	R	78.7	Confident	86.9	Confident	15 Å²	15	27.4 Å²	27.4	6%	0.057	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-94.2	86.4	-170.1	-63.8	165.6	163.9	-103.7	-26.7	114	I77 I166 A167 N169 G172 K174 L228	I77-R223 HydrophobicContact CD1-CB 3.97Å; I77-R223 WeakPolarHBondContact CD1-O 3.32Å; I166-R223 PolarHBondContact O-NH2 3.19Å; A167-R223 VanDerWaalsContact C-NH2 3.32Å; A167-R223 PolarHBondContact O-NH2 3.42Å; N169-R223 PolarHBondContact O-NE 2.69Å; N169-R223 PolarHBondContact O-NH2 2.68Å; G172-R223 VanDerWaalsContact O-CB 3.23Å; G172-R223 WeakPolarHBondContact O-CB 3.22Å; G172-R223 VanDerWaalsContact O-CG 3.25Å; G172-R223 WeakPolarHBondContact O-CG 3.13Å; G172-R223 PolarHBondContact O-N 3.29Å; K174-R223 WeakPolarHBondContact CA-O 3.38Å; K174-R223 VanDerWaalsContact N-N 3.18Å; K174-R223 PolarHBondContact N-O 3.38Å; R223-L228 HydrophobicContact CB-CD1 3.99Å; R223-L228 HydrophobicContact CB-CD2 4.46Å; R223-L228 HydrophobicContact CB-CG 4.23Å; R223-L228 HydrophobicContact CG-CD1 4.43Å; R223-L228 HydrophobicContact CG-CD2 4.25Å
224	T	79.3	Confident	86.9	Confident	9 Å²	9	27.8 Å²	27.8	6%	0.055	15%	0.148	C	C	.	.			trans	-86.5	168.6	164.9	61.8	0	0	0	0	110	K174 F175 F222 Q226 A227 L228	K174-T224 HydrophobicContact CB-CG2 3.7Å; K174-T224 HydrophobicContact CD-CG2 3.41Å; K174-T224 VanDerWaalsContact CD-CG2 3.41Å; K174-T224 HydrophobicContact CG-CG2 3.32Å; F175-T224 HydrophobicContact CB-CG2 3.73Å; F175-T224 WeakPolarHBondContact CB-OG1 3.41Å; F175-T224 VanDerWaalsContact N-CG2 3.29Å; F175-T224 WeakPolarHBondContact O-CG2 3.4Å; F222-T224 PolarHBondContact O-N 3.35Å; T224-Q226 VanDerWaalsContact C-N 3.32Å; T224-Q226 PolarHBondContact O-N 3.09Å; T224-Q226 WeakPolarHBondContact OG1-CA 3.31Å; T224-Q226 WeakPolarHBondContact OG1-CB 3.5Å; T224-Q226 PolarHBondContact OG1-N 2.93Å; T224-A227 WeakPolarHBondContact O-CB 3.48Å; T224-A227 PolarHBondContact O-N 3.36Å; T224-A227 WeakPolarHBondContact OG1-CB 3.32Å; T224-A227 PolarHBondContact OG1-N 3.15Å; T224-L228 WeakPolarHBondContact O-CB 3.49Å; T224-L228 WeakPolarHBondContact O-CG 3.42Å; T224-L228 PolarHBondContact O-N 2.87Å
225	K	82.9	Confident	87.1	Confident	92 Å²	92	26.5 Å²	26.5	40%	0.4	14%	0.143	S	C	.	.	H	α-helix	trans	-40.1	-59.3	151.9	-173.7	175.1	-179.6	-177.6	0	112.2	Y76 A227 L228 E229	Y76-K225 HydrophobicContact CD1-CB 4.27Å; Y76-K225 HydrophobicContact CD2-CB 3.82Å; Y76-K225 HydrophobicContact CD2-CG 4.25Å; Y76-K225 VanDerWaalsContact CE1-CA 3.44Å; Y76-K225 HydrophobicContact CE1-CB 4.14Å; Y76-K225 HydrophobicContact CE2-CB 3.67Å; Y76-K225 HydrophobicContact CE2-CD 4.1Å; Y76-K225 HydrophobicContact CE2-CG 3.63Å; Y76-K225 HydrophobicContact CG-CB 4.15Å; K225-A227 VanDerWaalsContact C-N 3.29Å; K225-A227 PolarHBondContact O-N 2.98Å; K225-L228 PolarHBondContact O-N 3.09Å; K225-E229 WeakPolarHBondContact CE-OE1 3.19Å; K225-E229 WeakPolarHBondContact CE-OE2 3.26Å; K225-E229 VanDerWaalsContact CG-CD 3.49Å; K225-E229 HydrophobicContact CG-CG 4.27Å; K225-E229 WeakPolarHBondContact CG-OE1 3.26Å; K225-E229 IonicContact NZ-OE2 2.78Å; K225-E229 VanDerWaalsContact O-CB 3.29Å; K225-E229 WeakPolarHBondContact O-CB 3.24Å; K225-E229 WeakPolarHBondContact O-CG 3.33Å; K225-E229 PolarHBondContact O-N 3.19Å
226	Q	81	Confident	87.4	Confident	66 Å²	66	25.1 Å²	25.1	31%	0.308	14%	0.136	S	C	.	.	I	π-helix	trans	-64.3	-29.4	-178.2	-58	-179.1	10.7	0	0	113.5	S25 T224 D230 I231	S25-Q226 VanDerWaalsContact CB-NE2 3.33Å; T224-Q226 VanDerWaalsContact C-N 3.32Å; T224-Q226 PolarHBondContact O-N 3.09Å; T224-Q226 WeakPolarHBondContact OG1-CA 3.31Å; T224-Q226 WeakPolarHBondContact OG1-CB 3.5Å; T224-Q226 PolarHBondContact OG1-N 2.93Å; Q226-D230 VanDerWaalsContact CA-OD2 3.31Å; Q226-D230 WeakPolarHBondContact CA-OD2 3.05Å; Q226-D230 VanDerWaalsContact CB-OD2 3.24Å; Q226-D230 WeakPolarHBondContact CB-OD2 3.42Å; Q226-D230 WeakPolarHBondContact CG-OD2 3.33Å; Q226-D230 VanDerWaalsContact O-CA 3.31Å; Q226-D230 WeakPolarHBondContact O-CA 3.35Å; Q226-D230 WeakPolarHBondContact O-CB 3.09Å; Q226-D230 PolarHBondContact O-N 2.99Å; Q226-I231 PolarHBondContact O-N 3.49Å
227	A	84.1	Confident	87.8	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	I	π-helix	trans	-71.8	-49.3	175.5	0	0	0	0	0	109.7	F175 I177 F222 T224 K225 I231 I232	F175-A227 HydrophobicContact CB-CB 3.45Å; F175-A227 VanDerWaalsContact CB-CB 3.45Å; F175-A227 HydrophobicContact CD2-CB 3.78Å; F175-A227 HydrophobicContact CG-CB 3.97Å; I177-A227 HydrophobicContact CD1-CB 4.46Å; F222-A227 WeakPolarHBondContact O-CB 3.46Å; T224-A227 WeakPolarHBondContact O-CB 3.48Å; T224-A227 PolarHBondContact O-N 3.36Å; T224-A227 WeakPolarHBondContact OG1-CB 3.32Å; T224-A227 PolarHBondContact OG1-N 3.15Å; K225-A227 VanDerWaalsContact C-N 3.29Å; K225-A227 PolarHBondContact O-N 2.98Å; A227-I231 CarbonylContact O-C 3.55Å; A227-I231 WeakPolarHBondContact O-CB 3.23Å; A227-I231 PolarHBondContact O-N 3.41Å; A227-I232 WeakPolarHBondContact O-CB 3.46Å; A227-I232 VanDerWaalsContact O-CG1 3.32Å; A227-I232 WeakPolarHBondContact O-CG1 3.17Å; A227-I232 PolarHBondContact O-N 3.38Å
228	L	86.7	Confident	88.4	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.01	12%	0.122	C	C	.	.	I	π-helix	trans	-74.9	-47.7	-174.5	-67.5	179.9	0	0	0	110.9	L69 Q72 R75 Y76 R223 T224 K225 I232 L233	L69-L228 HydrophobicContact CD2-CD2 4.31Å; Q72-L228 HydrophobicContact CB-CB 4.38Å; Q72-L228 HydrophobicContact CB-CD1 3.8Å; Q72-L228 HydrophobicContact CG-CB 4.22Å; Q72-L228 HydrophobicContact CG-CD1 3.93Å; R75-L228 HydrophobicContact CB-CD1 4.33Å; Y76-L228 HydrophobicContact CD1-CD1 4.26Å; Y76-L228 HydrophobicContact CE1-CB 4.24Å; Y76-L228 HydrophobicContact CE1-CD1 3.96Å; R223-L228 HydrophobicContact CB-CD1 3.99Å; R223-L228 HydrophobicContact CB-CD2 4.46Å; R223-L228 HydrophobicContact CB-CG 4.23Å; R223-L228 HydrophobicContact CG-CD1 4.43Å; R223-L228 HydrophobicContact CG-CD2 4.25Å; T224-L228 WeakPolarHBondContact O-CB 3.49Å; T224-L228 WeakPolarHBondContact O-CG 3.42Å; T224-L228 PolarHBondContact O-N 2.87Å; K225-L228 PolarHBondContact O-N 3.09Å; L228-I232 HydrophobicContact CD2-CB 4.26Å; L228-I232 HydrophobicContact CD2-CG1 4.42Å; L228-I232 HydrophobicContact CD2-CG2 4.32Å; L228-L233 WeakPolarHBondContact O-CB 3.14Å; L228-L233 PolarHBondContact O-N 3.35Å
229	E	87.8	Confident	88.9	Confident	51 Å²	51	22.2 Å²	22.2	24%	0.238	11%	0.114	C	C	.	.	I	π-helix	trans	-76.8	-48	179.6	-61.4	178.4	-167.6	0	0	112.9	Y76 K225 L233 W234	Y76-E229 VanDerWaalsContact OH-CD 3.29Å; Y76-E229 WeakPolarHBondContact OH-CG 3.39Å; Y76-E229 PolarHBondContact OH-OE1 3.44Å; K225-E229 WeakPolarHBondContact CE-OE1 3.19Å; K225-E229 WeakPolarHBondContact CE-OE2 3.26Å; K225-E229 VanDerWaalsContact CG-CD 3.49Å; K225-E229 HydrophobicContact CG-CG 4.27Å; K225-E229 WeakPolarHBondContact CG-OE1 3.26Å; K225-E229 IonicContact NZ-OE2 2.78Å; K225-E229 VanDerWaalsContact O-CB 3.29Å; K225-E229 WeakPolarHBondContact O-CB 3.24Å; K225-E229 WeakPolarHBondContact O-CG 3.33Å; K225-E229 PolarHBondContact O-N 3.19Å; E229-L233 WeakPolarHBondContact O-CB 3.33Å; E229-L233 WeakPolarHBondContact O-CD2 3.45Å; E229-W234 PolarHBondContact O-NE1 2.04Å
230	D	88	Confident	89.5	Confident	26 Å²	26	20.3 Å²	20.3	14%	0.139	10%	0.103	C	C	.	.	I	π-helix	trans	-91.7	-19.7	-169	-37.6	-22.9	0	0	0	113.8	Q226 R282	Q226-D230 VanDerWaalsContact CA-OD2 3.31Å; Q226-D230 WeakPolarHBondContact CA-OD2 3.05Å; Q226-D230 VanDerWaalsContact CB-OD2 3.24Å; Q226-D230 WeakPolarHBondContact CB-OD2 3.42Å; Q226-D230 WeakPolarHBondContact CG-OD2 3.33Å; Q226-D230 VanDerWaalsContact O-CA 3.31Å; Q226-D230 WeakPolarHBondContact O-CA 3.35Å; Q226-D230 WeakPolarHBondContact O-CB 3.09Å; Q226-D230 PolarHBondContact O-N 2.99Å; D230-R282 HydrophobicContact CB-CG 3.93Å; D230-R282 IonicContact OD2-CZ 3.46Å; D230-R282 IonicContact OD2-NE 3.13Å; D230-R282 PolarHBondContact OD2-NE 3.14Å; D230-R282 IonicContact OD2-NH2 2.68Å; D230-R282 PolarHBondContact OD2-NH2 3.16Å
231	I	91.4	Very high	90.1	Very high	2 Å²	2	19 Å²	19	1%	0.01	9%	0.094	C	C	.	.	I	π-helix	trans	-122.7	-68.5	-174.6	-52.1	-66.5	0	0	0	112.5	F175 I177 Q226 A227 L233 W234 Y235 L275 L278 L279 R282	F175-I231 HydrophobicContact CE2-CG1 4.1Å; I177-I231 HydrophobicContact CD1-CG2 4.09Å; Q226-I231 PolarHBondContact O-N 3.49Å; A227-I231 CarbonylContact O-C 3.55Å; A227-I231 WeakPolarHBondContact O-CB 3.23Å; A227-I231 PolarHBondContact O-N 3.41Å; I231-L233 PolarHBondContact O-N 2.85Å; I231-W234 PolarHBondContact O-N 2.82Å; I231-Y235 VanDerWaalsContact O-CB 3.26Å; I231-Y235 WeakPolarHBondContact O-CB 3.49Å; I231-Y235 PolarHBondContact O-N 3.26Å; I231-L275 HydrophobicContact CG2-CD1 3.82Å; I231-L278 HydrophobicContact CD1-CB 4.04Å; I231-L278 WeakPolarHBondContact CD1-O 3.14Å; I231-L278 HydrophobicContact CG2-CB 4.38Å; I231-L279 HydrophobicContact CD1-CD2 4.18Å; I231-R282 HydrophobicContact CD1-CB 3.99Å; I231-R282 HydrophobicContact CD1-CG 4.23Å
232	I	91.9	Very high	90.7	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	9%	0.094	C	C	.	.	I	π-helix	trans	-63	-39.8	-172.5	-60.9	-56.6	0	0	0	111.7	L69 I166 A167 I177 A227 L228 W234 Y235 V236	L69-I232 HydrophobicContact CD2-CG2 4.27Å; I166-I232 HydrophobicContact CG2-CD1 3.7Å; I166-I232 HydrophobicContact CG2-CG1 4.39Å; A167-I232 HydrophobicContact CB-CG2 4.09Å; I177-I232 HydrophobicContact CD1-CD1 3.8Å; I177-I232 HydrophobicContact CD1-CG1 4.23Å; A227-I232 WeakPolarHBondContact O-CB 3.46Å; A227-I232 VanDerWaalsContact O-CG1 3.32Å; A227-I232 WeakPolarHBondContact O-CG1 3.17Å; A227-I232 PolarHBondContact O-N 3.38Å; L228-I232 HydrophobicContact CD2-CB 4.26Å; L228-I232 HydrophobicContact CD2-CG1 4.42Å; L228-I232 HydrophobicContact CD2-CG2 4.32Å; I232-W234 VanDerWaalsContact C-N 3.3Å; I232-W234 PolarHBondContact O-N 3.29Å; I232-Y235 HydrophobicContact CD1-CD1 3.97Å; I232-Y235 PolarHBondContact O-N 3.23Å; I232-V236 HydrophobicContact CG2-CG2 3.97Å; I232-V236 VanDerWaalsContact O-CB 3.26Å; I232-V236 WeakPolarHBondContact O-CB 3.27Å; I232-V236 WeakPolarHBondContact O-CG2 3.18Å; I232-V236 PolarHBondContact O-N 2.68Å
233	L	93.9	Very high	91.4	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-49	-52.5	172.4	177.3	68.4	0	0	0	111.3	I31 L64 L69 L70 L228 E229 I231 A237	I31-L233 HydrophobicContact CG2-CD2 3.95Å; L64-L233 HydrophobicContact CD1-CD1 3.86Å; L64-L233 HydrophobicContact CD2-CD1 4.09Å; L64-L233 HydrophobicContact CG-CD1 4.37Å; L69-L233 HydrophobicContact CB-CD1 4.12Å; L70-L233 HydrophobicContact CD2-CD1 3.84Å; L228-L233 WeakPolarHBondContact O-CB 3.14Å; L228-L233 PolarHBondContact O-N 3.35Å; E229-L233 WeakPolarHBondContact O-CB 3.33Å; E229-L233 WeakPolarHBondContact O-CD2 3.45Å; I231-L233 PolarHBondContact O-N 2.85Å; L233-A237 VanDerWaalsContact O-CB 3.32Å; L233-A237 WeakPolarHBondContact O-CB 3.47Å; L233-A237 PolarHBondContact O-N 3.36Å
234	W	96.6	Very high	92.4	Very high	8 Å²	8	20.8 Å²	20.8	3%	0.03	10%	0.097	C	C	.	.	H	α-helix	trans	-79.5	-32.8	-176.1	-57.9	113.1	0	0	0	113.3	I31 C42 Y43 F56 E229 I231 I232 V236 A237 C238 L278	I31-W234 HydrophobicContact CB-CH2 4.08Å; I31-W234 HydrophobicContact CB-CZ2 4.1Å; I31-W234 HydrophobicContact CG2-CH2 4.44Å; I31-W234 HydrophobicContact CG2-CZ2 3.96Å; C42-W234 WeakPolarHBondContact O-CH2 3.47Å; Y43-W234 HydrophobicContact CD2-CB 4.11Å; Y43-W234 AromaticContact CD2-CD1 3.8Å; Y43-W234 AromaticContact CD2-CD2 3.69Å; Y43-W234 HydrophobicContact CD2-CD2 3.69Å; Y43-W234 AromaticContact CD2-CE2 3.96Å; Y43-W234 HydrophobicContact CD2-CE3 4.25Å; Y43-W234 AromaticContact CD2-CG 3.59Å; Y43-W234 HydrophobicContact CD2-CG 3.59Å; Y43-W234 HydrophobicContact CE2-CB 4.43Å; Y43-W234 AromaticContact CE2-CD1 3.91Å; Y43-W234 HydrophobicContact CE2-CG 4.03Å; F56-W234 HydrophobicContact CD2-CE3 4.37Å; F56-W234 HydrophobicContact CD2-CZ3 4.06Å; F56-W234 AromaticContact CE2-CE3 3.84Å; F56-W234 HydrophobicContact CE2-CE3 3.84Å; F56-W234 AromaticContact CE2-CZ3 3.85Å; F56-W234 HydrophobicContact CE2-CZ3 3.85Å; F56-W234 HydrophobicContact CZ-CE3 4.25Å; E229-W234 PolarHBondContact O-NE1 2.04Å; I231-W234 PolarHBondContact O-N 2.82Å; I232-W234 VanDerWaalsContact C-N 3.3Å; I232-W234 PolarHBondContact O-N 3.29Å; W234-V236 VanDerWaalsContact C-N 3.34Å; W234-A237 HydrophobicContact CE3-CB 4.31Å; W234-A237 PolarHBondContact O-N 3.33Å; W234-C238 VanDerWaalsContact O-CB 3.31Å; W234-C238 WeakPolarHBondContact O-CB 3.44Å; W234-C238 PolarHBondContact O-N 2.71Å; W234-L278 HydrophobicContact CB-CD1 4.07Å; W234-L278 HydrophobicContact CB-CD2 3.69Å; W234-L278 HydrophobicContact CG-CD2 4.44Å
235	Y	97.2	Very high	93.3	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-42.1	173.7	-172.7	-158	0	0	0	110.8	P163 I166 I231 I232 A239 M245 D271 V274 L275	P163-Y235 HydrophobicContact CB-CD1 3.66Å; P163-Y235 HydrophobicContact CB-CD2 3.96Å; P163-Y235 HydrophobicContact CB-CE1 3.85Å; P163-Y235 HydrophobicContact CB-CE2 4.13Å; P163-Y235 HydrophobicContact CB-CG 3.71Å; P163-Y235 HydrophobicContact CG-CD2 4.19Å; P163-Y235 HydrophobicContact CG-CE2 4.12Å; P163-Y235 HydrophobicContact CG-CG 4.44Å; I166-Y235 HydrophobicContact CD1-CE1 4.25Å; I231-Y235 VanDerWaalsContact O-CB 3.26Å; I231-Y235 WeakPolarHBondContact O-CB 3.49Å; I231-Y235 PolarHBondContact O-N 3.26Å; I232-Y235 HydrophobicContact CD1-CD1 3.97Å; I232-Y235 PolarHBondContact O-N 3.23Å; Y235-A239 WeakPolarHBondContact O-CB 3.24Å; Y235-A239 PolarHBondContact O-N 3.28Å; Y235-A239 VanDerWaalsContact O-N 3.09Å; Y235-M245 HydrophobicContact CD2-CE 3.54Å; Y235-M245 HydrophobicContact CE2-CE 3.6Å; Y235-M245 WeakPolarHBondContact O-CE 3.04Å; Y235-D271 HydrophobicContact CE2-CB 4Å; Y235-D271 WeakPolarHBondContact CE2-O 3.49Å; Y235-V274 HydrophobicContact CD2-CB 4.36Å; Y235-V274 HydrophobicContact CD2-CG1 3.83Å; Y235-L275 HydrophobicContact CD1-CD1 3.97Å; Y235-L275 HydrophobicContact CD2-CB 4.48Å; Y235-L275 HydrophobicContact CE1-CB 4.24Å; Y235-L275 HydrophobicContact CE1-CD1 3.92Å; Y235-L275 HydrophobicContact CE1-CD2 3.97Å; Y235-L275 HydrophobicContact CE1-CG 4.27Å; Y235-L275 HydrophobicContact CE2-CB 4Å
236	V	97	Very high	94	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-70.3	-42.6	171.6	173.9	0	0	0	0	111.4	L64 L67 L69 P163 A167 I232 W234 C238 A239 L240	L64-V236 HydrophobicContact CD2-CB 4.05Å; L64-V236 HydrophobicContact CD2-CG1 3.59Å; L67-V236 HydrophobicContact CD1-CG1 3.57Å; L69-V236 HydrophobicContact CD1-CB 4.1Å; L69-V236 HydrophobicContact CD1-CG1 3.96Å; L69-V236 HydrophobicContact CD1-CG2 4.06Å; P163-V236 HydrophobicContact CB-CG2 3.84Å; P163-V236 WeakPolarHBondContact O-CG2 3.41Å; A167-V236 HydrophobicContact CB-CG2 3.85Å; I232-V236 HydrophobicContact CG2-CG2 3.97Å; I232-V236 VanDerWaalsContact O-CB 3.26Å; I232-V236 WeakPolarHBondContact O-CB 3.27Å; I232-V236 WeakPolarHBondContact O-CG2 3.18Å; I232-V236 PolarHBondContact O-N 2.68Å; W234-V236 VanDerWaalsContact C-N 3.34Å; V236-C238 VanDerWaalsContact C-N 3.29Å; V236-C238 PolarHBondContact O-N 3.28Å; V236-A239 WeakPolarHBondContact O-CB 3.16Å; V236-A239 PolarHBondContact O-N 2.97Å; V236-A239 VanDerWaalsContact O-N 3.15Å; V236-L240 HydrophobicContact CG1-CD1 3.58Å; V236-L240 HydrophobicContact CG1-CG 4.27Å; V236-L240 WeakPolarHBondContact O-CB 3.43Å; V236-L240 WeakPolarHBondContact O-CG 3.31Å; V236-L240 PolarHBondContact O-N 2.67Å
237	A	98.2	Very high	94.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.9	-42.8	176.6	0	0	0	0	0	111.8	F56 V60 L64 L233 W234 L240 K241	F56-A237 HydrophobicContact CD1-CB 3.69Å; F56-A237 WeakPolarHBondContact CD1-O 3.45Å; F56-A237 HydrophobicContact CE1-CB 3.87Å; F56-A237 HydrophobicContact CG-CB 4.09Å; F56-A237 HydrophobicContact CZ-CB 4.41Å; V60-A237 HydrophobicContact CG1-CB 3.86Å; L64-A237 HydrophobicContact CD1-CB 4.14Å; L233-A237 VanDerWaalsContact O-CB 3.32Å; L233-A237 WeakPolarHBondContact O-CB 3.47Å; L233-A237 PolarHBondContact O-N 3.36Å; W234-A237 HydrophobicContact CE3-CB 4.31Å; W234-A237 PolarHBondContact O-N 3.33Å; A237-L240 CarbonylContact O-C 3.56Å; A237-L240 PolarHBondContact O-N 2.7Å; A237-K241 WeakPolarHBondContact O-CB 3.17Å; A237-K241 PolarHBondContact O-N 2.75Å
238	C	98.6	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.2	-35	176.4	-169.1	0	0	0	0	112.8	F56 I199 W234 V236 L240 K241 C244 M245 V274	F56-C238 HydrophobicContact CE1-CB 4.18Å; I199-C238 HydrophobicContact CD1-CB 4.09Å; W234-C238 VanDerWaalsContact O-CB 3.31Å; W234-C238 WeakPolarHBondContact O-CB 3.44Å; W234-C238 PolarHBondContact O-N 2.71Å; V236-C238 VanDerWaalsContact C-N 3.29Å; V236-C238 PolarHBondContact O-N 3.28Å; C238-L240 VanDerWaalsContact C-N 3.31Å; C238-L240 PolarHBondContact O-N 3.16Å; C238-K241 PolarHBondContact O-N 3.25Å; C238-K241 VanDerWaalsContact O-O 3.09Å; C238-C244 VanDerWaalsContact CA-SG 3.51Å; C238-C244 HydrophobicContact CB-CB 4Å; C238-C244 WeakPolarHBondContact CB-SG 3.48Å; C238-C244 WeakPolarHBondContact SG-CB 3.44Å; C238-C244 CovalentContact SG-SG 2.04Å; C238-C244 PolarHBondContact SG-SG 2.7Å; C238-M245 HydrophobicContact CB-CE 4.42Å; C238-M245 VanDerWaalsContact O-CB 3.31Å; C238-M245 WeakPolarHBondContact O-CB 3.29Å; C238-M245 PolarHBondContact O-N 3.3Å; C238-M245 PolarHBondContact SG-N 3.22Å; C238-M245 VanDerWaalsContact SG-N 3.35Å; C238-V274 HydrophobicContact CB-CG1 3.93Å; C238-V274 VanDerWaalsContact SG-CG2 3.55Å
239	A	98.3	Very high	95.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-37.1	171.6	0	0	0	0	0	112.4	R160 P163 Y235 V236 M245	R160-A239 HydrophobicContact CB-CB 4.02Å; R160-A239 VanDerWaalsContact CD-O 3.26Å; R160-A239 WeakPolarHBondContact CD-O 3.4Å; R160-A239 HydrophobicContact CG-CB 4.32Å; R160-A239 WeakPolarHBondContact CG-O 3.34Å; R160-A239 PolarHBondContact NH1-O 2.77Å; P163-A239 HydrophobicContact CG-CB 3.5Å; P163-A239 VanDerWaalsContact CG-CB 3.5Å; Y235-A239 WeakPolarHBondContact O-CB 3.24Å; Y235-A239 PolarHBondContact O-N 3.28Å; Y235-A239 VanDerWaalsContact O-N 3.09Å; V236-A239 WeakPolarHBondContact O-CB 3.16Å; V236-A239 PolarHBondContact O-N 2.97Å; V236-A239 VanDerWaalsContact O-N 3.15Å; A239-M245 HydrophobicContact CB-CE 3.89Å; A239-M245 HydrophobicContact CB-SD 3.78Å
240	L	98.2	Very high	95.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.7	-179	-65	169.6	0	0	0	114.2	V60 Y63 L67 Y149 Y152 I164 V236 A237 C238	V60-L240 HydrophobicContact CG1-CB 4.18Å; V60-L240 HydrophobicContact CG2-CB 4.33Å; Y63-L240 HydrophobicContact CD2-CB 4.48Å; Y63-L240 HydrophobicContact CD2-CD1 4.22Å; Y63-L240 HydrophobicContact CD2-CD2 4.19Å; Y63-L240 HydrophobicContact CG-CD1 4.1Å; Y63-L240 HydrophobicContact CG-CD2 4.36Å; L67-L240 HydrophobicContact CD1-CD1 4.43Å; Y149-L240 HydrophobicContact CD1-CD2 3.99Å; Y152-L240 PolarHBondContact OH-O 3.05Å; I164-L240 HydrophobicContact CD1-CD2 3.85Å; I164-L240 HydrophobicContact CD1-CG 4.46Å; V236-L240 HydrophobicContact CG1-CD1 3.58Å; V236-L240 HydrophobicContact CG1-CG 4.27Å; V236-L240 WeakPolarHBondContact O-CB 3.43Å; V236-L240 WeakPolarHBondContact O-CG 3.31Å; V236-L240 PolarHBondContact O-N 2.67Å; A237-L240 CarbonylContact O-C 3.56Å; A237-L240 PolarHBondContact O-N 2.7Å; C238-L240 VanDerWaalsContact C-N 3.31Å; C238-L240 PolarHBondContact O-N 3.16Å
241	K	97.7	Very high	96.1	Very high	44 Å²	44	25.1 Å²	25.1	19%	0.191	13%	0.131	C	C	.	.	S	Bend	trans	-101.7	119.8	171.3	179.7	65.6	170.1	-155.2	0	109.3	S55 F56 V60 R160 Y198 A237 C238 D243 C244	S55-K241 PolarHBondContact O-NZ 2.77Å; F56-K241 HydrophobicContact CD1-CB 3.9Å; F56-K241 HydrophobicContact CD1-CG 4.32Å; F56-K241 WeakPolarHBondContact O-CD 3.39Å; F56-K241 PolarHBondContact O-NZ 3.1Å; V60-K241 HydrophobicContact CG2-CB 4.49Å; R160-K241 PolarHBondContact NH1-O 3.07Å; Y198-K241 HydrophobicContact CD1-CG 4.36Å; Y198-K241 HydrophobicContact CE1-CD 4.26Å; Y198-K241 HydrophobicContact CE1-CG 4Å; Y198-K241 HydrophobicContact CE2-CG 4.42Å; Y198-K241 VanDerWaalsContact CZ-CE 3.46Å; Y198-K241 WeakPolarHBondContact OH-CE 3.3Å; A237-K241 WeakPolarHBondContact O-CB 3.17Å; A237-K241 PolarHBondContact O-N 2.75Å; C238-K241 PolarHBondContact O-N 3.25Å; C238-K241 VanDerWaalsContact O-O 3.09Å; K241-D243 PolarHBondContact O-N 3.23Å; K241-C244 HydrophobicContact CB-CB 3.91Å; K241-C244 HydrophobicContact CG-CB 3.94Å; K241-C244 PolarHBondContact O-N 3.1Å
242	K	96.5	Very high	96.2	Very high	78 Å²	78	27.4 Å²	27.4	34%	0.339	15%	0.147	S	C	.	.	H	α-helix	trans	-40.8	-62.9	-179.1	-179.2	-177.5	169.2	-89.5	0	111.6	Y152 R160 C244 E248	Y152-K242 HydrophobicContact CD1-CB 4.36Å; Y152-K242 HydrophobicContact CD1-CG 4.36Å; Y152-K242 HydrophobicContact CE1-CB 3.82Å; Y152-K242 HydrophobicContact CE1-CG 4.28Å; Y152-K242 HydrophobicContact CE2-CB 4.43Å; Y152-K242 PolarHBondContact OH-N 2.76Å; R160-K242 PolarHBondContact NH1-O 2.87Å; R160-K242 PolarHBondContact NH2-O 2.92Å; K242-C244 VanDerWaalsContact C-N 3.31Å; K242-C244 PolarHBondContact O-N 2.72Å; K242-E248 VanDerWaalsContact CE-OE1 3.27Å; K242-E248 WeakPolarHBondContact CE-OE1 3.18Å; K242-E248 IonicContact NZ-OE1 2.65Å; K242-E248 PolarHBondContact NZ-OE1 2.87Å
243	D	96.5	Very high	96.3	Very high	45 Å²	45	33.7 Å²	33.7	24%	0.241	18%	0.175	C	C	.	.	H	α-helix	trans	-90.6	12.2	-166.6	-36.2	-80.6	0	0	0	113.9	Y198 K241	Y198-D243 HydrophobicContact CE2-CB 4.26Å; K241-D243 PolarHBondContact O-N 3.23Å
244	C	98.4	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-94.9	-67.8	179.9	-172.4	0	0	0	0	112.4	Y198 C238 K241 K242	Y198-C244 HydrophobicContact CD2-CB 3.6Å; Y198-C244 HydrophobicContact CE2-CB 4.11Å; Y198-C244 HydrophobicContact CG-CB 4.01Å; C238-C244 VanDerWaalsContact CA-SG 3.51Å; C238-C244 HydrophobicContact CB-CB 4Å; C238-C244 WeakPolarHBondContact CB-SG 3.48Å; C238-C244 WeakPolarHBondContact SG-CB 3.44Å; C238-C244 CovalentContact SG-SG 2.04Å; C238-C244 PolarHBondContact SG-SG 2.7Å; K241-C244 HydrophobicContact CB-CB 3.91Å; K241-C244 HydrophobicContact CG-CB 3.94Å; K241-C244 PolarHBondContact O-N 3.1Å; K242-C244 VanDerWaalsContact C-N 3.31Å; K242-C244 PolarHBondContact O-N 2.72Å
245	M	98.2	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-75	-34.9	-175	-174	161	-71.5	0	0	113.2	R160 P163 Y235 C238 A239 H268 Y270 D271 V274	R160-M245 HydrophobicContact CB-SD 4.44Å; R160-M245 HydrophobicContact CG-CB 4.33Å; R160-M245 HydrophobicContact CG-CG 4.27Å; R160-M245 HydrophobicContact CG-SD 4.03Å; P163-M245 HydrophobicContact CG-CE 4.15Å; P163-M245 HydrophobicContact CG-SD 4.33Å; Y235-M245 HydrophobicContact CD2-CE 3.54Å; Y235-M245 HydrophobicContact CE2-CE 3.6Å; Y235-M245 WeakPolarHBondContact O-CE 3.04Å; C238-M245 HydrophobicContact CB-CE 4.42Å; C238-M245 VanDerWaalsContact O-CB 3.31Å; C238-M245 WeakPolarHBondContact O-CB 3.29Å; C238-M245 PolarHBondContact O-N 3.3Å; C238-M245 PolarHBondContact SG-N 3.22Å; C238-M245 VanDerWaalsContact SG-N 3.35Å; A239-M245 HydrophobicContact CB-CE 3.89Å; A239-M245 HydrophobicContact CB-SD 3.78Å; M245-H268 PolarHBondContact O-NE2 3.45Å; M245-Y270 WeakPolarHBondContact O-CA 3.5Å; M245-D271 HydrophobicContact SD-CB 4.11Å; M245-V274 HydrophobicContact CE-CB 4.07Å; M245-V274 HydrophobicContact CE-CG1 3.99Å; M245-V274 HydrophobicContact CE-CG2 4.17Å; M245-V274 HydrophobicContact CG-CG2 4.48Å
246	G	97	Very high	96.3	Very high	8 Å²	8	45.9 Å²	45.9	8%	0.082	23%	0.225	C	C	.	.	S	Bend	trans	-134.6	79.3	175.9	0	0	0	0	0	110.7	R160	R160-G246 VanDerWaalsContact NH2-N 3.15Å; R160-G246 PolarHBondContact NH2-O 2.99Å; R160-G246 VanDerWaalsContact NH2-O 3.13Å
247	P	97	Very high	96	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.045	26%	0.263	C	S	.	.			trans	-65.5	157.3	169.5	27.9	-33.6	0	0	0	111	S192 E194 D249 A250	S192-P247 WeakPolarHBondContact OG-CG 3.29Å; E194-P247 HydrophobicContact CB-CB 3.72Å; E194-P247 HydrophobicContact CB-CG 3.98Å; E194-P247 HydrophobicContact CG-CB 3.77Å; E194-P247 HydrophobicContact CG-CG 4.31Å; P247-D249 WeakPolarHBondContact CG-OD1 3.07Å; P247-D249 PolarHBondContact O-N 3.48Å; P247-A250 HydrophobicContact CG-CB 4.12Å; P247-A250 WeakPolarHBondContact O-CB 3.31Å; P247-A250 PolarHBondContact O-N 2.99Å; P247-A250 VanDerWaalsContact O-N 3.07Å
248	E	94.5	Very high	95.8	Very high	167 Å²	167	56.4 Å²	56.4	78%	0.78	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.3	-174.6	-65	178.8	175.9	0	0	113.5	K242	K242-E248 VanDerWaalsContact CE-OE1 3.27Å; K242-E248 WeakPolarHBondContact CE-OE1 3.18Å; K242-E248 IonicContact NZ-OE1 2.65Å; K242-E248 PolarHBondContact NZ-OE1 2.87Å
249	D	91.1	Very high	95.5	Very high	87 Å²	87	67.1 Å²	67.1	47%	0.465	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.5	175.5	84	-35.8	0	0	0	114.2	S192 P247 S251	S192-D249 PolarHBondContact OG-OD1 3.34Å; P247-D249 WeakPolarHBondContact CG-OD1 3.07Å; P247-D249 PolarHBondContact O-N 3.48Å; D249-S251 PolarHBondContact O-N 2.82Å
250	A	94.7	Very high	95.2	Very high	20 Å²	20	72.1 Å²	72.1	17%	0.165	34%	0.337	C	S	.	.			trans	-69.1	94.2	-167	0	0	0	0	0	114.6	P247 H268 Y270	P247-A250 HydrophobicContact CG-CB 4.12Å; P247-A250 WeakPolarHBondContact O-CB 3.31Å; P247-A250 PolarHBondContact O-N 2.99Å; P247-A250 VanDerWaalsContact O-N 3.07Å; A250-H268 HydrophobicContact CB-CB 4.13Å; A250-Y270 HydrophobicContact CB-CD1 4.37Å; A250-Y270 HydrophobicContact CB-CE1 3.54Å; A250-Y270 PolarHBondContact O-OH 3.23Å
251	S	95.4	Very high	95	Very high	47 Å²	47	75 Å²	75	33%	0.329	35%	0.35	S	S	.	.			trans	-81.9	136.6	167.7	173.5	0	0	0	0	112.4	D249 F253 C267 H268	D249-S251 PolarHBondContact O-N 2.82Å; S251-F253 PolarHBondContact OG-N 3.18Å; S251-F253 PolarHBondContact OG-O 2.85Å; S251-C267 CarbonylContact O-C 3.33Å; S251-C267 WeakPolarHBondContact O-CA 3.14Å; S251-C267 WeakPolarHBondContact O-CB 3.43Å; S251-H268 PolarHBondContact O-N 3.45Å
252	S	92.6	Very high	94.9	Very high	51 Å²	51	74.1 Å²	74.1	36%	0.357	35%	0.347	S	S	.	.	S	Bend	trans	-90.1	2.6	167.7	57.8	0	0	0	0	113.9	R269	S252-R269 PolarHBondContact O-NH1 3.19Å
253	F	94.6	Very high	94.9	Very high	136 Å²	136	72.3 Å²	72.3	60%	0.596	35%	0.347	S	S	*	.			trans	-100	118.2	176.7	-178	-88.5	0	0	0	110.7	S251 R255 C267	S251-F253 PolarHBondContact OG-N 3.18Å; S251-F253 PolarHBondContact OG-O 2.85Å; F253-R255 HydrophobicContact CD1-CG 4.19Å; F253-R255 HydrophobicContact CE1-CG 3.74Å; F253-C267 WeakPolarHBondContact O-CB 3.36Å
254	C	96	Very high	94.9	Very high	22 Å²	22	73.3 Å²	73.3	15%	0.149	35%	0.348	C	S	.	.			trans	-98.8	143.4	-175.9	-55.5	0	0	0	0	112.4	F256 A265 C267 R269	C254-F256 HydrophobicContact CB-CD2 4.28Å; C254-F256 HydrophobicContact CB-CE1 4.43Å; C254-F256 HydrophobicContact CB-CE2 3.63Å; C254-F256 HydrophobicContact CB-CZ 3.71Å; C254-A265 HydrophobicContact CB-CB 3.99Å; C254-C267 VanDerWaalsContact CA-SG 3.58Å; C254-C267 HydrophobicContact CB-CB 3.84Å; C254-C267 WeakPolarHBondContact CB-SG 3.4Å; C254-C267 WeakPolarHBondContact SG-CB 3.43Å; C254-C267 CovalentContact SG-SG 2.03Å; C254-C267 PolarHBondContact SG-SG 2.72Å; C254-R269 PolarHBondContact SG-NH2 3.33Å
255	R	96.4	Very high	94.9	Very high	183 Å²	183	73.5 Å²	73.5	69%	0.691	35%	0.349	S	S	*	.			trans	-123.8	82.8	173.1	-64.4	179.6	-176.4	169.3	1	109.5	F253 A265	F253-R255 HydrophobicContact CD1-CG 4.19Å; F253-R255 HydrophobicContact CE1-CG 3.74Å; R255-A265 PolarHBondContact N-O 3.23Å; R255-A265 WeakPolarHBondContact O-CA 3.15Å
256	F	94.9	Very high	94.8	Very high	68 Å²	68	75.3 Å²	75.3	30%	0.298	37%	0.368	S	S	.	.			trans	-64.4	151.2	174.5	-56.8	-74.7	0	0	0	110.9	H185 C254 H261 A265	H185-F256 HydrophobicContact CB-CE1 3.63Å; H185-F256 HydrophobicContact CB-CZ 3.74Å; H185-F256 AromaticContact CD2-CZ 3.75Å; H185-F256 AromaticContact CG-CZ 3.84Å; C254-F256 HydrophobicContact CB-CD2 4.28Å; C254-F256 HydrophobicContact CB-CE1 4.43Å; C254-F256 HydrophobicContact CB-CE2 3.63Å; C254-F256 HydrophobicContact CB-CZ 3.71Å; F256-H261 HydrophobicContact CD1-CB 3.73Å; F256-H261 AromaticContact CD1-CD2 3.83Å; F256-H261 AromaticContact CD1-CG 3.85Å; F256-H261 HydrophobicContact CE1-CB 3.96Å; F256-H261 HydrophobicContact CG-CB 4.38Å; F256-H261 AromaticContact CG-CD2 3.58Å; F256-H261 AromaticContact CG-CG 3.99Å; F256-A265 HydrophobicContact CD1-CB 3.54Å; F256-A265 HydrophobicContact CE1-CB 3.66Å; F256-A265 HydrophobicContact CG-CB 4.12Å; F256-A265 HydrophobicContact CZ-CB 4.34Å
257	K	92.3	Very high	94.8	Very high	180 Å²	180	74.9 Å²	74.9	78%	0.783	36%	0.364	S	S	*	.			trans	-130.3	-22.3	-173.7	-61.6	179.3	-176.6	174.1	0	113.2
258	D	93.7	Very high	94.9	Very high	40 Å²	40	74.6 Å²	74.6	21%	0.214	36%	0.361	C	S	.	.	S	Bend	trans	-109.8	159.7	178.2	56.9	-41.8	0	0	0	109.8	H261 L262 A263	D258-H261 PolarHBondContact O-CD2 2.98Å; D258-H261 PolarHBondContact OD2-N 2.89Å; D258-L262 WeakPolarHBondContact OD2-CA 3.5Å; D258-L262 PolarHBondContact OD2-N 2.79Å; D258-A263 HydrophobicContact CB-CB 4.44Å; D258-A263 WeakPolarHBondContact OD1-CB 3.36Å; D258-A263 PolarHBondContact OD1-N 3.45Å; D258-A263 PolarHBondContact OD2-N 3.34Å
259	R	90.9	Very high	95	Very high	226 Å²	226	69 Å²	69	85%	0.853	33%	0.333	S	S	*	.	S	Bend	trans	-81.4	-26	-176.6	-68.1	-179.9	173.3	-172.3	-2.2	112.4	H261	R259-H261 VanDerWaalsContact C-N 3.26Å
260	E	91.9	Very high	95.3	Very high	104 Å²	104	66 Å²	66	49%	0.486	32%	0.316	S	S	.	.	S	Bend	trans	-80.6	-12.8	-176.5	-58.9	67	-150.2	0	0	111.3	L262	E260-L262 VanDerWaalsContact C-N 3.25Å; E260-L262 HydrophobicContact CB-CD1 3.93Å; E260-L262 HydrophobicContact CB-CG 3.89Å; E260-L262 PolarHBondContact O-N 3.1Å
261	H	95.2	Very high	95.4	Very high	63 Å²	63	65.2 Å²	65.2	29%	0.292	31%	0.309	S	S	.	.	S	Bend	trans	52.4	40.5	-176.2	-56.6	156.8	0	0	0	113	G184 H185 G186 S189 F256 D258 R259	G184-H261 PolarHBondContact O-ND1 2.7Å; H185-H261 HydrophobicContact CB-CB 3.67Å; G186-H261 PolarHBondContact N-O 3.33Å; S189-H261 WeakPolarHBondContact CB-O 3.14Å; S189-H261 PolarHBondContact OG-O 3.38Å; F256-H261 HydrophobicContact CD1-CB 3.73Å; F256-H261 AromaticContact CD1-CD2 3.83Å; F256-H261 AromaticContact CD1-CG 3.85Å; F256-H261 HydrophobicContact CE1-CB 3.96Å; F256-H261 HydrophobicContact CG-CB 4.38Å; F256-H261 AromaticContact CG-CD2 3.58Å; F256-H261 AromaticContact CG-CG 3.99Å; D258-H261 PolarHBondContact O-CD2 2.98Å; D258-H261 PolarHBondContact OD2-N 2.89Å; R259-H261 VanDerWaalsContact C-N 3.26Å
262	L	95.4	Very high	95.4	Very high	25 Å²	25	63.6 Å²	63.6	13%	0.131	30%	0.296	C	S	.	.			trans	-100.9	-22.6	178	-61.9	177.9	0	0	0	112.7	Y188 M209 M212 D258 E260	Y188-L262 WeakPolarHBondContact CD1-O 3.29Å; M209-L262 HydrophobicContact CG-CD1 4Å; M212-L262 HydrophobicContact SD-CD2 3.85Å; D258-L262 WeakPolarHBondContact OD2-CA 3.5Å; D258-L262 PolarHBondContact OD2-N 2.79Å; E260-L262 VanDerWaalsContact C-N 3.25Å; E260-L262 HydrophobicContact CB-CD1 3.93Å; E260-L262 HydrophobicContact CB-CG 3.89Å; E260-L262 PolarHBondContact O-N 3.1Å
263	A	96.1	Very high	95.7	Very high	39 Å²	39	61.2 Å²	61.2	32%	0.322	28%	0.279	S	S	.	.	S	Bend	trans	-77	153.1	176.3	0	0	0	0	0	112.6	S189 D258 A265	S189-A263 VanDerWaalsContact CA-O 3.23Å; S189-A263 WeakPolarHBondContact CA-O 3.45Å; S189-A263 WeakPolarHBondContact CB-O 3.39Å; D258-A263 HydrophobicContact CB-CB 4.44Å; D258-A263 WeakPolarHBondContact OD1-CB 3.36Å; D258-A263 PolarHBondContact OD1-N 3.45Å; D258-A263 PolarHBondContact OD2-N 3.34Å; A263-A265 PolarHBondContact O-N 2.93Å; A263-A265 VanDerWaalsContact O-N 3.13Å
264	Y	97.5	Very high	95.9	Very high	67 Å²	67	54.7 Å²	54.7	26%	0.263	25%	0.251	S	S	.	.			trans	-63.3	116.4	-179.7	-177.4	-124.5	0	0	0	111.8	T191 P193 C267	T191-Y264 VanDerWaalsContact O-CE2 3.31Å; T191-Y264 WeakPolarHBondContact O-CE2 3.37Å; P193-Y264 WeakPolarHBondContact CD-OH 3.31Å; P193-Y264 HydrophobicContact CG-CE1 4.16Å; Y264-C267 WeakPolarHBondContact CE2-O 3.25Å
265	A	97.3	Very high	95.9	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.025	24%	0.244	C	C	.	.			trans	-92.8	11.6	-173.2	0	0	0	0	0	113.4	S189 C254 R255 F256 A263 C267	S189-A265 VanDerWaalsContact O-CB 3.27Å; S189-A265 WeakPolarHBondContact O-CB 3.46Å; S189-A265 PolarHBondContact O-N 2.67Å; C254-A265 HydrophobicContact CB-CB 3.99Å; R255-A265 PolarHBondContact N-O 3.23Å; R255-A265 WeakPolarHBondContact O-CA 3.15Å; F256-A265 HydrophobicContact CD1-CB 3.54Å; F256-A265 HydrophobicContact CE1-CB 3.66Å; F256-A265 HydrophobicContact CG-CB 4.12Å; F256-A265 HydrophobicContact CZ-CB 4.34Å; A263-A265 PolarHBondContact O-N 2.93Å; A263-A265 VanDerWaalsContact O-N 3.13Å; A265-C267 VanDerWaalsContact C-N 3.35Å; A265-C267 PolarHBondContact O-N 3.04Å
266	G	96.6	Very high	95.9	Very high	38 Å²	38	45 Å²	45	39%	0.392	21%	0.211	S	C	.	.	S	Bend	trans	68.2	31.7	179.7	0	0	0	0	0	113.7
267	C	97.5	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.197	C	C	.	.			trans	-144.1	163.7	-177.2	69.5	0	0	0	0	113.3	A190 T191 S251 F253 C254 Y264 A265	A190-C267 CarbonylContact C-O 3.55Å; A190-C267 VanDerWaalsContact CA-O 3.27Å; A190-C267 WeakPolarHBondContact CA-O 3.31Å; T191-C267 PolarHBondContact N-O 3.17Å; S251-C267 CarbonylContact O-C 3.33Å; S251-C267 WeakPolarHBondContact O-CA 3.14Å; S251-C267 WeakPolarHBondContact O-CB 3.43Å; F253-C267 WeakPolarHBondContact O-CB 3.36Å; C254-C267 VanDerWaalsContact CA-SG 3.58Å; C254-C267 HydrophobicContact CB-CB 3.84Å; C254-C267 WeakPolarHBondContact CB-SG 3.4Å; C254-C267 WeakPolarHBondContact SG-CB 3.43Å; C254-C267 CovalentContact SG-SG 2.03Å; C254-C267 PolarHBondContact SG-SG 2.72Å; Y264-C267 WeakPolarHBondContact CE2-O 3.25Å; A265-C267 VanDerWaalsContact C-N 3.35Å; A265-C267 PolarHBondContact O-N 3.04Å
268	H	97.9	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.			trans	-135.4	148.7	-179	-170.8	36.1	0	0	0	109.9	A190 S192 V195 M245 A250 S251 Y270 S273	A190-H268 WeakPolarHBondContact O-CA 3.46Å; S192-H268 PolarHBondContact N-ND1 2.84Å; V195-H268 VanDerWaalsContact CG2-CE1 3.44Å; V195-H268 WeakPolarHBondContact CG2-CE1 3.48Å; M245-H268 PolarHBondContact O-NE2 3.45Å; A250-H268 HydrophobicContact CB-CB 4.13Å; S251-H268 PolarHBondContact O-N 3.45Å; H268-Y270 AromaticContact CD2-CD1 3.84Å; H268-Y270 WeakPolarHBondContact NE2-CA 3.36Å; H268-S273 PolarHBondContact ND1-OG 3.06Å
269	R	97.1	Very high	96.2	Very high	50 Å²	50	31.3 Å²	31.3	19%	0.189	15%	0.149	C	C	.	.			trans	-116.6	21.6	175.7	-53.9	-65	-167.4	-160.9	0.2	112.2	A190 M213 S252 C254 D271 Q272 S273	A190-R269 HydrophobicContact CB-CG 4.01Å; A190-R269 PolarHBondContact O-N 3.35Å; M213-R269 HydrophobicContact SD-CB 4.05Å; M213-R269 HydrophobicContact SD-CG 3.85Å; S252-R269 PolarHBondContact O-NH1 3.19Å; C254-R269 PolarHBondContact SG-NH2 3.33Å; R269-D271 PolarHBondContact O-N 3.03Å; R269-Q272 HydrophobicContact CB-CB 3.87Å; R269-Q272 HydrophobicContact CB-CG 4.39Å; R269-Q272 WeakPolarHBondContact O-CB 3.46Å; R269-Q272 PolarHBondContact O-N 2.89Å; R269-S273 VanDerWaalsContact CA-OG 3.32Å; R269-S273 WeakPolarHBondContact CA-OG 3.47Å; R269-S273 VanDerWaalsContact CB-OG 3.28Å; R269-S273 WeakPolarHBondContact CB-OG 3.31Å; R269-S273 PolarHBondContact N-OG 3.38Å
270	Y	97.2	Very high	96.4	Very high	24 Å²	24	20.6 Å²	20.6	9%	0.094	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	-117.9	173.4	-48.8	-80.6	0	0	0	112.6	L2 K157 E158 Y159 M245 A250 H268 Q272 S273 V274	L2-Y270 HydrophobicContact CD1-CD2 4.04Å; L2-Y270 HydrophobicContact CD1-CE2 4.23Å; K157-Y270 WeakPolarHBondContact O-CE2 3.25Å; E158-Y270 HydrophobicContact CB-CD1 4.27Å; E158-Y270 HydrophobicContact CG-CD1 4.18Å; E158-Y270 HydrophobicContact CG-CE1 4.17Å; Y159-Y270 HydrophobicContact CD2-CD2 4.27Å; Y159-Y270 HydrophobicContact CE2-CD2 4.29Å; M245-Y270 WeakPolarHBondContact O-CA 3.5Å; A250-Y270 HydrophobicContact CB-CD1 4.37Å; A250-Y270 HydrophobicContact CB-CE1 3.54Å; A250-Y270 PolarHBondContact O-OH 3.23Å; H268-Y270 AromaticContact CD2-CD1 3.84Å; H268-Y270 WeakPolarHBondContact NE2-CA 3.36Å; Y270-Q272 VanDerWaalsContact C-N 3.26Å; Y270-Q272 PolarHBondContact O-N 3.17Å; Y270-S273 PolarHBondContact O-N 2.72Å; Y270-V274 WeakPolarHBondContact O-CG2 3.32Å; Y270-V274 PolarHBondContact O-N 2.86Å
271	D	96.4	Very high	96.5	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-53.4	-40.9	176.9	68.2	-58.8	0	0	0	113.1	Y159 K162 Y235 M245 R269 V274 L275	Y159-D271 WeakPolarHBondContact CB-OD1 3.5Å; Y159-D271 WeakPolarHBondContact CD2-OD1 3.4Å; K162-D271 VanDerWaalsContact CD-OD2 3.23Å; K162-D271 WeakPolarHBondContact CD-OD2 3.38Å; K162-D271 WeakPolarHBondContact CE-OD2 3.35Å; K162-D271 IonicContact NZ-OD1 2.72Å; K162-D271 IonicContact NZ-OD2 2.7Å; K162-D271 PolarHBondContact NZ-OD2 2.94Å; Y235-D271 HydrophobicContact CE2-CB 4Å; Y235-D271 WeakPolarHBondContact CE2-O 3.49Å; M245-D271 HydrophobicContact SD-CB 4.11Å; R269-D271 PolarHBondContact O-N 3.03Å; D271-V274 PolarHBondContact O-N 3.39Å; D271-L275 VanDerWaalsContact O-CB 3.31Å; D271-L275 WeakPolarHBondContact O-CB 3.45Å; D271-L275 PolarHBondContact O-N 2.92Å
272	Q	96.4	Very high	96.3	Very high	13 Å²	13	14 Å²	14	6%	0.061	8%	0.077	C	C	.	.	H	α-helix	trans	-66.1	-42.2	-177.4	-173.1	-175.5	-78.2	0	0	111.3	M213 Y214 A216 R269 Y270 N276	M213-Q272 HydrophobicContact CG-CG 4.25Å; M213-Q272 HydrophobicContact SD-CG 3.98Å; M213-Q272 PolarHBondContact SD-NE2 3.03Å; Y214-Q272 WeakPolarHBondContact O-CG 3.29Å; A216-Q272 HydrophobicContact CB-CB 3.81Å; A216-Q272 HydrophobicContact CB-CG 3.88Å; R269-Q272 HydrophobicContact CB-CB 3.87Å; R269-Q272 HydrophobicContact CB-CG 4.39Å; R269-Q272 WeakPolarHBondContact O-CB 3.46Å; R269-Q272 PolarHBondContact O-N 2.89Å; Y270-Q272 VanDerWaalsContact C-N 3.26Å; Y270-Q272 PolarHBondContact O-N 3.17Å; Q272-N276 WeakPolarHBondContact O-CB 3.37Å; Q272-N276 PolarHBondContact O-N 3.28Å; Q272-N276 VanDerWaalsContact O-N 3.07Å; Q272-N276 PolarHBondContact O-ND2 2.84Å
273	S	98.2	Very high	95.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63	-47.8	175.9	-56.9	0	0	0	0	111.2	A190 T191 H268 R269 Y270 L277	A190-S273 PolarHBondContact O-OG 2.81Å; T191-S273 WeakPolarHBondContact OG1-CB 3.4Å; H268-S273 PolarHBondContact ND1-OG 3.06Å; R269-S273 VanDerWaalsContact CA-OG 3.32Å; R269-S273 WeakPolarHBondContact CA-OG 3.47Å; R269-S273 VanDerWaalsContact CB-OG 3.28Å; R269-S273 WeakPolarHBondContact CB-OG 3.31Å; R269-S273 PolarHBondContact N-OG 3.38Å; Y270-S273 PolarHBondContact O-N 2.72Å; S273-L277 VanDerWaalsContact O-CB 3.24Å; S273-L277 WeakPolarHBondContact O-CB 3.35Å; S273-L277 PolarHBondContact O-N 2.86Å
274	V	98.4	Very high	95.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-45.6	-179.5	174.7	0	0	0	0	111.3	V195 I199 Y235 C238 M245 Y270 D271 L277 L278	V195-V274 HydrophobicContact CG1-CG2 4.1Å; I199-V274 HydrophobicContact CD1-CG1 3.89Å; Y235-V274 HydrophobicContact CD2-CB 4.36Å; Y235-V274 HydrophobicContact CD2-CG1 3.83Å; C238-V274 HydrophobicContact CB-CG1 3.93Å; C238-V274 VanDerWaalsContact SG-CG2 3.55Å; M245-V274 HydrophobicContact CE-CB 4.07Å; M245-V274 HydrophobicContact CE-CG1 3.99Å; M245-V274 HydrophobicContact CE-CG2 4.17Å; M245-V274 HydrophobicContact CG-CG2 4.48Å; Y270-V274 WeakPolarHBondContact O-CG2 3.32Å; Y270-V274 PolarHBondContact O-N 2.86Å; D271-V274 PolarHBondContact O-N 3.39Å; V274-L277 PolarHBondContact O-N 3.31Å; V274-L278 HydrophobicContact CG1-CD1 3.89Å; V274-L278 WeakPolarHBondContact O-CG 3.13Å; V274-L278 PolarHBondContact O-N 3.14Å
275	L	96.5	Very high	95.4	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-65.1	-46.8	-179.5	-178.5	56	0	0	0	111.8	L179 A216 I231 Y235 D271 L277 L278 L279	L179-L275 HydrophobicContact CD2-CD2 3.9Å; A216-L275 HydrophobicContact CB-CD2 4.12Å; I231-L275 HydrophobicContact CG2-CD1 3.82Å; Y235-L275 HydrophobicContact CD1-CD1 3.97Å; Y235-L275 HydrophobicContact CD2-CB 4.48Å; Y235-L275 HydrophobicContact CE1-CB 4.24Å; Y235-L275 HydrophobicContact CE1-CD1 3.92Å; Y235-L275 HydrophobicContact CE1-CD2 3.97Å; Y235-L275 HydrophobicContact CE1-CG 4.27Å; Y235-L275 HydrophobicContact CE2-CB 4Å; D271-L275 VanDerWaalsContact O-CB 3.31Å; D271-L275 WeakPolarHBondContact O-CB 3.45Å; D271-L275 PolarHBondContact O-N 2.92Å; L275-L277 VanDerWaalsContact C-N 3.32Å; L275-L277 PolarHBondContact O-N 2.88Å; L275-L278 PolarHBondContact O-N 3.01Å; L275-L279 HydrophobicContact CD1-CD1 4.05Å; L275-L279 HydrophobicContact CD1-CG 4.33Å; L275-L279 HydrophobicContact CG-CD1 3.95Å; L275-L279 WeakPolarHBondContact O-CB 3.46Å; L275-L279 WeakPolarHBondContact O-CD1 3.16Å; L275-L279 VanDerWaalsContact O-CG 3.22Å; L275-L279 WeakPolarHBondContact O-CG 2.76Å; L275-L279 PolarHBondContact O-N 3.48Å
276	N	97.4	Very high	94.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64	-38.1	176.8	-79.4	-97.7	0	0	0	111.9	L179 I187 M213 Y214 Q272 L279 A280	L179-N276 WeakPolarHBondContact CD1-ND2 3.36Å; L179-N276 WeakPolarHBondContact CD1-OD1 3.07Å; I187-N276 HydrophobicContact CD1-CB 3.85Å; I187-N276 HydrophobicContact CG1-CB 3.88Å; M213-N276 HydrophobicContact CG-CB 4.13Å; Y214-N276 PolarHBondContact N-OD1 2.95Å; Y214-N276 PolarHBondContact O-ND2 2.94Å; Q272-N276 WeakPolarHBondContact O-CB 3.37Å; Q272-N276 PolarHBondContact O-N 3.28Å; Q272-N276 VanDerWaalsContact O-N 3.07Å; Q272-N276 PolarHBondContact O-ND2 2.84Å; N276-L279 PolarHBondContact O-N 2.88Å; N276-A280 VanDerWaalsContact O-CB 3.29Å; N276-A280 WeakPolarHBondContact O-CB 3.4Å; N276-A280 PolarHBondContact O-N 2.99Å
277	L	98.1	Very high	94.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.5	-46.6	177.3	179.1	58.5	0	0	0	112.1	I187 T191 V195 Y196 I199 T201 V206 S273 V274 L275 L279 A280 N281	I187-L277 HydrophobicContact CG2-CB 4.34Å; I187-L277 HydrophobicContact CG2-CD1 4.4Å; T191-L277 HydrophobicContact CG2-CD2 4.49Å; V195-L277 HydrophobicContact CG1-CD2 3.77Å; Y196-L277 HydrophobicContact CD1-CD1 4.45Å; Y196-L277 HydrophobicContact CD1-CD2 3.79Å; Y196-L277 HydrophobicContact CE1-CD1 3.73Å; Y196-L277 HydrophobicContact CE1-CD2 3.55Å; Y196-L277 HydrophobicContact CE1-CG 4.29Å; I199-L277 HydrophobicContact CB-CD2 4.12Å; I199-L277 HydrophobicContact CG2-CD2 3.88Å; I199-L277 HydrophobicContact CG2-CG 4.09Å; T201-L277 HydrophobicContact CG2-CD1 4.42Å; V206-L277 HydrophobicContact CG2-CD1 4.25Å; S273-L277 VanDerWaalsContact O-CB 3.24Å; S273-L277 WeakPolarHBondContact O-CB 3.35Å; S273-L277 PolarHBondContact O-N 2.86Å; V274-L277 PolarHBondContact O-N 3.31Å; L275-L277 VanDerWaalsContact C-N 3.32Å; L275-L277 PolarHBondContact O-N 2.88Å; L277-L279 VanDerWaalsContact C-N 3.34Å; L277-L279 PolarHBondContact O-N 3.08Å; L277-A280 PolarHBondContact O-N 3.24Å; L277-N281 WeakPolarHBondContact O-CB 3.41Å; L277-N281 VanDerWaalsContact O-CG 3.31Å; L277-N281 PolarHBondContact O-N 3.18Å
278	L	96	Very high	93.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-42.6	176.9	-72.4	167.4	0	0	0	111.6	Y43 I199 I231 W234 V274 L275 R282	Y43-L278 HydrophobicContact CD2-CD2 4.1Å; Y43-L278 HydrophobicContact CE2-CD2 3.43Å; Y43-L278 VanDerWaalsContact CE2-CD2 3.43Å; I199-L278 HydrophobicContact CD1-CD1 4.36Å; I199-L278 HydrophobicContact CD1-CD2 4.08Å; I199-L278 HydrophobicContact CD1-CG 4.21Å; I199-L278 HydrophobicContact CG2-CD2 3.8Å; I199-L278 HydrophobicContact CG2-CG 4.42Å; I231-L278 HydrophobicContact CD1-CB 4.04Å; I231-L278 WeakPolarHBondContact CD1-O 3.14Å; I231-L278 HydrophobicContact CG2-CB 4.38Å; W234-L278 HydrophobicContact CB-CD1 4.07Å; W234-L278 HydrophobicContact CB-CD2 3.69Å; W234-L278 HydrophobicContact CG-CD2 4.44Å; V274-L278 HydrophobicContact CG1-CD1 3.89Å; V274-L278 WeakPolarHBondContact O-CG 3.13Å; V274-L278 PolarHBondContact O-N 3.14Å; L275-L278 PolarHBondContact O-N 3.01Å; L278-R282 WeakPolarHBondContact O-CB 3.3Å; L278-R282 PolarHBondContact O-N 3.34Å; L278-R282 VanDerWaalsContact O-N 3.1Å
279	L	93.1	Very high	92.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.7	-50.1	174.5	-70.2	164.1	0	0	0	111.3	F175 I177 L179 I231 L275 N276 L277 R282 L283 W290	F175-L279 HydrophobicContact CE2-CD2 3.76Å; F175-L279 HydrophobicContact CZ-CD2 4.03Å; I177-L279 HydrophobicContact CB-CD2 4.46Å; I177-L279 HydrophobicContact CG2-CD1 4.45Å; L179-L279 HydrophobicContact CD1-CD1 3.72Å; L179-L279 HydrophobicContact CG-CD1 4Å; I231-L279 HydrophobicContact CD1-CD2 4.18Å; L275-L279 HydrophobicContact CD1-CD1 4.05Å; L275-L279 HydrophobicContact CD1-CG 4.33Å; L275-L279 HydrophobicContact CG-CD1 3.95Å; L275-L279 WeakPolarHBondContact O-CB 3.46Å; L275-L279 WeakPolarHBondContact O-CD1 3.16Å; L275-L279 VanDerWaalsContact O-CG 3.22Å; L275-L279 WeakPolarHBondContact O-CG 2.76Å; L275-L279 PolarHBondContact O-N 3.48Å; N276-L279 PolarHBondContact O-N 2.88Å; L277-L279 VanDerWaalsContact C-N 3.34Å; L277-L279 PolarHBondContact O-N 3.08Å; L279-R282 PolarHBondContact O-N 3Å; L279-L283 HydrophobicContact CB-CD1 4.41Å; L279-L283 HydrophobicContact CD2-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CB 3.09Å; L279-L283 WeakPolarHBondContact O-CG 3.16Å; L279-L283 PolarHBondContact O-N 3.5Å; L279-W290 HydrophobicContact CB-CB 4.07Å; L279-W290 HydrophobicContact CB-CD2 4.07Å; L279-W290 HydrophobicContact CB-CE3 4.41Å; L279-W290 HydrophobicContact CB-CG 3.93Å; L279-W290 HydrophobicContact CD1-CB 4.07Å; L279-W290 HydrophobicContact CD1-CG 4.17Å; L279-W290 HydrophobicContact CD2-CB 4.09Å; L279-W290 HydrophobicContact CG-CB 4.3Å
280	A	94.5	Very high	91.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-46.6	-178.5	0	0	0	0	0	112.9	I187 N276 L277 R282 L283 N284 Y285 W290	I187-A280 HydrophobicContact CD1-CB 3.63Å; N276-A280 VanDerWaalsContact O-CB 3.29Å; N276-A280 WeakPolarHBondContact O-CB 3.4Å; N276-A280 PolarHBondContact O-N 2.99Å; L277-A280 PolarHBondContact O-N 3.24Å; A280-R282 VanDerWaalsContact C-N 3.27Å; A280-R282 PolarHBondContact O-N 3.34Å; A280-L283 PolarHBondContact O-N 3.17Å; A280-N284 PolarHBondContact O-N 3.4Å; A280-Y285 HydrophobicContact CB-CD1 3.85Å; A280-Y285 HydrophobicContact CB-CE1 4.3Å; A280-Y285 PolarHBondContact O-N 2.75Å; A280-W290 HydrophobicContact CB-CH2 3.53Å; A280-W290 HydrophobicContact CB-CZ2 4.01Å; A280-W290 HydrophobicContact CB-CZ3 3.96Å
281	N	94.5	Very high	91	Very high	4 Å²	4	18 Å²	18	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-53.9	-45.3	173.1	-79.7	3	0	0	0	111.4	Y43 L45 P200 T201 L277 Y285	Y43-N281 WeakPolarHBondContact CE1-ND2 3.33Å; Y43-N281 VanDerWaalsContact OH-CB 3.25Å; Y43-N281 WeakPolarHBondContact OH-CB 3.29Å; Y43-N281 PolarHBondContact OH-ND2 3.4Å; L45-N281 HydrophobicContact CD1-CB 4.25Å; P200-N281 PolarHBondContact O-ND2 3.19Å; T201-N281 WeakPolarHBondContact CB-OD1 3.15Å; T201-N281 PolarHBondContact OG1-OD1 3.03Å; L277-N281 WeakPolarHBondContact O-CB 3.41Å; L277-N281 VanDerWaalsContact O-CG 3.31Å; L277-N281 PolarHBondContact O-N 3.18Å; N281-Y285 PolarHBondContact OD1-OH 3.01Å
282	R	89.8	Confident	90.1	Very high	25 Å²	25	18.9 Å²	18.9	9%	0.094	9%	0.094	C	C	.	.	H	α-helix	trans	-85	-20.7	-172	-176	52	-173.3	65.2	18.6	114.2	D230 I231 L278 L279 A280	D230-R282 HydrophobicContact CB-CG 3.93Å; D230-R282 IonicContact OD2-CZ 3.46Å; D230-R282 IonicContact OD2-NE 3.13Å; D230-R282 PolarHBondContact OD2-NE 3.14Å; D230-R282 IonicContact OD2-NH2 2.68Å; D230-R282 PolarHBondContact OD2-NH2 3.16Å; I231-R282 HydrophobicContact CD1-CB 3.99Å; I231-R282 HydrophobicContact CD1-CG 4.23Å; L278-R282 WeakPolarHBondContact O-CB 3.3Å; L278-R282 PolarHBondContact O-N 3.34Å; L278-R282 VanDerWaalsContact O-N 3.1Å; L279-R282 PolarHBondContact O-N 3Å; A280-R282 VanDerWaalsContact C-N 3.27Å; A280-R282 PolarHBondContact O-N 3.34Å
283	L	88.5	Confident	89.1	Confident	25 Å²	25	21.6 Å²	21.6	13%	0.131	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	32.6	-178.4	-58	168.7	0	0	0	112.1	F175 L279 A280 Y285 E286 Q289 W290	F175-L283 HydrophobicContact CZ-CD1 4.24Å; L279-L283 HydrophobicContact CB-CD1 4.41Å; L279-L283 HydrophobicContact CD2-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CB 3.09Å; L279-L283 WeakPolarHBondContact O-CG 3.16Å; L279-L283 PolarHBondContact O-N 3.5Å; A280-L283 PolarHBondContact O-N 3.17Å; L283-Y285 PolarHBondContact O-N 2.74Å; L283-Y285 VanDerWaalsContact O-N 3.1Å; L283-E286 PolarHBondContact O-N 2.8Å; L283-Q289 HydrophobicContact CB-CB 3.87Å; L283-Q289 HydrophobicContact CB-CG 4.47Å; L283-Q289 HydrophobicContact CD1-CB 4.02Å; L283-Q289 HydrophobicContact CD2-CB 4.39Å; L283-Q289 HydrophobicContact CG-CB 4.33Å; L283-W290 HydrophobicContact CB-CE3 4.04Å; L283-W290 HydrophobicContact CB-CZ3 4.38Å; L283-W290 HydrophobicContact CD1-CB 3.75Å; L283-W290 HydrophobicContact CD1-CE3 4.01Å
284	N	89.1	Confident	87.9	Confident	71 Å²	71	27.1 Å²	27.1	38%	0.38	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	26.8	168.5	-160.7	56.3	0	0	0	114.9	R205 A280 E286	R205-N284 PolarHBondContact NH1-OD1 3.03Å; R205-N284 VanDerWaalsContact NH2-CG 3.31Å; R205-N284 PolarHBondContact NH2-ND2 3.32Å; R205-N284 VanDerWaalsContact NH2-ND2 3.1Å; R205-N284 PolarHBondContact NH2-O 2.7Å; R205-N284 PolarHBondContact NH2-OD1 3.34Å; A280-N284 PolarHBondContact O-N 3.4Å; N284-E286 VanDerWaalsContact C-N 3.25Å; N284-E286 PolarHBondContact ND2-OE1 3.43Å; N284-E286 PolarHBondContact O-N 3.06Å
285	Y	92.1	Very high	86.6	Confident	8 Å²	8	33.2 Å²	33.2	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	33.7	-179.8	-46.9	-93.2	0	0	0	114.1	T201 D202 R205 V206 S210 A280 N281 L283	T201-Y285 WeakPolarHBondContact OG1-CE1 3.46Å; T201-Y285 PolarHBondContact OG1-OH 3.16Å; D202-Y285 HydrophobicContact CB-CE2 4Å; D202-Y285 PolarHBondContact N-OH 2.55Å; R205-Y285 HydrophobicContact CB-CD1 4.06Å; R205-Y285 HydrophobicContact CB-CD2 3.59Å; R205-Y285 HydrophobicContact CB-CE1 4.44Å; R205-Y285 HydrophobicContact CB-CE2 4.01Å; R205-Y285 HydrophobicContact CB-CG 3.63Å; R205-Y285 HydrophobicContact CG-CD2 4.39Å; V206-Y285 HydrophobicContact CB-CD1 4.16Å; V206-Y285 HydrophobicContact CB-CE1 3.97Å; V206-Y285 HydrophobicContact CG2-CE1 4.43Å; S210-Y285 CarbonylContact C-O 3.5Å; S210-Y285 WeakPolarHBondContact CB-O 3.43Å; S210-Y285 PolarHBondContact OG-O 3.28Å; A280-Y285 HydrophobicContact CB-CD1 3.85Å; A280-Y285 HydrophobicContact CB-CE1 4.3Å; A280-Y285 PolarHBondContact O-N 2.75Å; N281-Y285 PolarHBondContact OD1-OH 3.01Å; L283-Y285 PolarHBondContact O-N 2.74Å; L283-Y285 VanDerWaalsContact O-N 3.1Å
286	E	85.3	Confident	85.4	Confident	39 Å²	39	36.1 Å²	36.1	18%	0.182	20%	0.203	C	C	.	.			trans	-109.1	95.5	174.8	-66.2	167.4	-144	0	0	109.3	K23 L283 N284 E288 Q289 W290	K23-E286 IonicContact NZ-OE1 3.99Å; K23-E286 PolarHBondContact NZ-OE1 2.68Å; K23-E286 IonicContact NZ-OE2 2.75Å; K23-E286 PolarHBondContact NZ-OE2 2.84Å; L283-E286 PolarHBondContact O-N 2.8Å; N284-E286 VanDerWaalsContact C-N 3.25Å; N284-E286 PolarHBondContact ND2-OE1 3.43Å; N284-E286 PolarHBondContact O-N 3.06Å; E286-E288 PolarHBondContact O-N 2.77Å; E286-Q289 HydrophobicContact CB-CG 3.75Å; E286-Q289 VanDerWaalsContact O-CB 3.25Å; E286-Q289 WeakPolarHBondContact O-CB 3.41Å; E286-Q289 VanDerWaalsContact O-CG 3.3Å; E286-Q289 WeakPolarHBondContact O-CG 3.3Å; E286-Q289 PolarHBondContact O-N 2.75Å; E286-W290 WeakPolarHBondContact O-CZ3 3.45Å
287	Q	82.8	Confident	84.3	Confident	30 Å²	30	38.7 Å²	38.7	14%	0.14	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-54.4	-25.7	-174.8	63.5	-176.2	-0.2	0	0	114.8	S210 M212 Y214 Q289 W290 S291	S210-Q287 VanDerWaalsContact O-CB 3.31Å; S210-Q287 WeakPolarHBondContact O-CB 3.14Å; S210-Q287 PolarHBondContact O-N 3.48Å; M212-Q287 VanDerWaalsContact CB-OE1 3.29Å; Y214-Q287 HydrophobicContact CE2-CB 4.09Å; Q287-Q289 PolarHBondContact O-N 3.33Å; Q287-Q289 VanDerWaalsContact O-N 3.17Å; Q287-W290 VanDerWaalsContact CA-CH2 3.48Å; Q287-W290 HydrophobicContact CB-CH2 4.04Å; Q287-W290 HydrophobicContact CB-CZ2 3.71Å; Q287-W290 PolarHBondContact O-N 3.16Å; Q287-W290 VanDerWaalsContact O-N 3.13Å; Q287-S291 WeakPolarHBondContact O-CB 3.44Å; Q287-S291 PolarHBondContact O-N 3.16Å; Q287-S291 PolarHBondContact O-OG 3.41Å
288	E	82	Confident	83.4	Confident	104 Å²	104	39.7 Å²	39.7	49%	0.486	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-65.3	-13.5	176.2	-59.9	70.8	-153.1	0	0	112	E286	E286-E288 PolarHBondContact O-N 2.77Å
289	Q	80.3	Confident	82.5	Confident	34 Å²	34	46.4 Å²	46.4	16%	0.159	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-86.7	-18.1	175.1	-54.2	-63.9	-86	0	0	113.7	L283 E286 Q287	L283-Q289 HydrophobicContact CB-CB 3.87Å; L283-Q289 HydrophobicContact CB-CG 4.47Å; L283-Q289 HydrophobicContact CD1-CB 4.02Å; L283-Q289 HydrophobicContact CD2-CB 4.39Å; L283-Q289 HydrophobicContact CG-CB 4.33Å; E286-Q289 HydrophobicContact CB-CG 3.75Å; E286-Q289 VanDerWaalsContact O-CB 3.25Å; E286-Q289 WeakPolarHBondContact O-CB 3.41Å; E286-Q289 VanDerWaalsContact O-CG 3.3Å; E286-Q289 WeakPolarHBondContact O-CG 3.3Å; E286-Q289 PolarHBondContact O-N 2.75Å; Q287-Q289 PolarHBondContact O-N 3.33Å; Q287-Q289 VanDerWaalsContact O-N 3.17Å
290	W	81.2	Confident	81.6	Confident	2 Å²	2	48 Å²	48	1%	0.008	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-3.7	179.3	70.1	82.4	0	0	0	115.3	L179 I187 Y214 L279 A280 L283 E286 Q287	L179-W290 PolarHBondContact N-O 3.27Å; I187-W290 HydrophobicContact CD1-CH2 4.46Å; I187-W290 HydrophobicContact CD1-CZ2 3.85Å; Y214-W290 AromaticContact CD2-NE1 3.96Å; L279-W290 HydrophobicContact CB-CB 4.07Å; L279-W290 HydrophobicContact CB-CD2 4.07Å; L279-W290 HydrophobicContact CB-CE3 4.41Å; L279-W290 HydrophobicContact CB-CG 3.93Å; L279-W290 HydrophobicContact CD1-CB 4.07Å; L279-W290 HydrophobicContact CD1-CG 4.17Å; L279-W290 HydrophobicContact CD2-CB 4.09Å; L279-W290 HydrophobicContact CG-CB 4.3Å; A280-W290 HydrophobicContact CB-CH2 3.53Å; A280-W290 HydrophobicContact CB-CZ2 4.01Å; A280-W290 HydrophobicContact CB-CZ3 3.96Å; L283-W290 HydrophobicContact CB-CE3 4.04Å; L283-W290 HydrophobicContact CB-CZ3 4.38Å; L283-W290 HydrophobicContact CD1-CB 3.75Å; L283-W290 HydrophobicContact CD1-CE3 4.01Å; E286-W290 WeakPolarHBondContact O-CZ3 3.45Å; Q287-W290 VanDerWaalsContact CA-CH2 3.48Å; Q287-W290 HydrophobicContact CB-CH2 4.04Å; Q287-W290 HydrophobicContact CB-CZ2 3.71Å; Q287-W290 PolarHBondContact O-N 3.16Å; Q287-W290 VanDerWaalsContact O-N 3.13Å
291	S	81.5	Confident	80.8	Confident	16 Å²	16	50.4 Å²	50.4	11%	0.112	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-100.3	151	172.7	63.3	0	0	0	0	111.7	L179 Y214 Q287 G293	L179-S291 CarbonylContact O-C 3.55Å; L179-S291 VanDerWaalsContact O-CA 3.24Å; L179-S291 WeakPolarHBondContact O-CA 3.34Å; Y214-S291 VanDerWaalsContact CZ-CB 3.41Å; Q287-S291 WeakPolarHBondContact O-CB 3.44Å; Q287-S291 PolarHBondContact O-N 3.16Å; Q287-S291 PolarHBondContact O-OG 3.41Å; S291-G293 VanDerWaalsContact C-N 3.27Å; S291-G293 PolarHBondContact O-N 3.35Å
292	S	76.7	Confident	79.9	Confident	23 Å²	23	55.3 Å²	55.3	16%	0.161	28%	0.281	C	S	.	.			trans	-75.1	-12.2	179.3	57.6	0	0	0	0	114.8	V178 L179 H180 F294	V178-S292 VanDerWaalsContact CG1-N 3.34Å; L179-S292 PolarHBondContact O-N 3.07Å; H180-S292 VanDerWaalsContact ND1-CB 3.29Å; H180-S292 WeakPolarHBondContact ND1-CB 3.37Å; H180-S292 PolarHBondContact ND1-OG 3.25Å; S292-F294 WeakPolarHBondContact O-CD2 3.47Å; S292-F294 PolarHBondContact O-N 3.38Å; S292-F294 PolarHBondContact OG-O 2.98Å
293	G	74.8	Confident	79.3	Confident	70 Å²	70	58.6 Å²	58.6	72%	0.722	30%	0.297	S	S	*	.	S	Bend	trans	68.2	-40.9	-165.9	0	0	0	0	0	114	S291	S291-G293 VanDerWaalsContact C-N 3.27Å; S291-G293 PolarHBondContact O-N 3.35Å
294	F	72.7	Confident	79	Confident	116 Å²	116	61.7 Å²	61.7	51%	0.509	31%	0.311	S	S	.	.			trans	-68.6	141.6	177.9	-47.6	-67.5	0	0	0	113.1	A15 S292 F297 Y298	A15-F294 HydrophobicContact CB-CZ 4.4Å; S292-F294 WeakPolarHBondContact O-CD2 3.47Å; S292-F294 PolarHBondContact O-N 3.38Å; S292-F294 PolarHBondContact OG-O 2.98Å; F294-F297 HydrophobicContact CB-CD1 3.64Å; F294-F297 HydrophobicContact CB-CE1 3.89Å; F294-F297 HydrophobicContact CD2-CD1 4.48Å; F294-F297 HydrophobicContact CD2-CE1 4.39Å; F294-F297 HydrophobicContact CG-CD1 4.33Å; F294-Y298 WeakPolarHBondContact O-CE1 3.28Å; F294-Y298 PolarHBondContact O-OH 3.31Å
295	N	70.8	Confident	78.7	Confident	128 Å²	128	61.4 Å²	61.4	68%	0.684	31%	0.312	S	S	*	.			trans	-132.8	4.5	177.3	63.5	-5.8	0	0	0	113.6
296	S	73.2	Confident	78.4	Confident	63 Å²	63	64.2 Å²	64.2	44%	0.441	33%	0.327	S	S	.	.	S	Bend	trans	-111	-27.2	-170.1	53.8	0	0	0	0	114.5	Y298	S296-Y298 PolarHBondContact O-N 3.38Å
297	F	73.7	Confident	78.3	Confident	55 Å²	55	66.6 Å²	66.6	24%	0.241	34%	0.341	C	S	.	.	S	Bend	trans	-74.4	-4.6	179.9	83.4	-94.5	0	0	0	113.4	L9 H10 H180 F294	L9-F297 CarbonylContact C-O 3.42Å; L9-F297 WeakPolarHBondContact CA-O 3.36Å; L9-F297 HydrophobicContact CD2-CD2 3.73Å; L9-F297 HydrophobicContact CD2-CE2 3.73Å; H10-F297 PolarHBondContact N-O 2.65Å; H180-F297 AromaticContact CE1-CZ 3.77Å; H180-F297 AromaticContact ND1-CE1 3.83Å; H180-F297 AromaticContact ND1-CZ 3.53Å; F294-F297 HydrophobicContact CB-CD1 3.64Å; F294-F297 HydrophobicContact CB-CE1 3.89Å; F294-F297 HydrophobicContact CD2-CD1 4.48Å; F294-F297 HydrophobicContact CD2-CE1 4.39Å; F294-F297 HydrophobicContact CG-CD1 4.33Å
298	Y	79.4	Confident	78.5	Confident	20 Å²	20	70.3 Å²	70.3	8%	0.078	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.4	179.9	67.8	-86.7	0	0	0	112.6	L8 H180 A181 L218 F294 S296 I300	L8-Y298 CarbonylContact O-C 3.48Å; L8-Y298 WeakPolarHBondContact O-CA 3.37Å; L8-Y298 WeakPolarHBondContact O-CB 3.44Å; H180-Y298 HydrophobicContact CB-CD1 4.43Å; H180-Y298 HydrophobicContact CB-CE1 3.76Å; H180-Y298 HydrophobicContact CB-CE2 4.3Å; H180-Y298 PolarHBondContact O-OH 3Å; H180-Y298 VanDerWaalsContact O-OH 3.06Å; A181-Y298 WeakPolarHBondContact CA-OH 3.3Å; A181-Y298 HydrophobicContact CB-CE2 4.06Å; A181-Y298 PolarHBondContact N-OH 2.98Å; L218-Y298 HydrophobicContact CD2-CD1 4.21Å; L218-Y298 HydrophobicContact CD2-CD2 4.17Å; L218-Y298 HydrophobicContact CD2-CG 3.9Å; F294-Y298 WeakPolarHBondContact O-CE1 3.28Å; F294-Y298 PolarHBondContact O-OH 3.31Å; S296-Y298 PolarHBondContact O-N 3.38Å; Y298-I300 HydrophobicContact CD2-CD1 4.35Å; Y298-I300 HydrophobicContact CD2-CG1 4.01Å; Y298-I300 HydrophobicContact CE2-CD1 4.29Å; Y298-I300 HydrophobicContact CE2-CG1 4.34Å
299	R	77.4	Confident	78.8	Confident	142 Å²	142	70 Å²	70	54%	0.536	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.9	169.1	178.6	176.9	171.9	161.2	-9.7	109.5	L8 E301	L8-R299 HydrophobicContact CB-CB 4.16Å; L8-R299 HydrophobicContact CD1-CB 4.31Å; L8-R299 HydrophobicContact CD1-CG 4.39Å; L8-R299 PolarHBondContact N-O 3.1Å; L8-R299 PolarHBondContact O-N 2.71Å; R299-E301 HydrophobicContact CG-CG 3.8Å; R299-E301 IonicContact CZ-OE1 2.67Å; R299-E301 VanDerWaalsContact NE-CD 3.29Å; R299-E301 IonicContact NE-OE1 2.71Å; R299-E301 PolarHBondContact NE-OE1 3.38Å; R299-E301 IonicContact NH2-OE1 3.52Å; R299-E301 PolarHBondContact NH2-OE1 3.27Å
300	I	73.8	Confident	79.4	Confident	33 Å²	33	71.5 Å²	71.5	17%	0.169	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	104.4	178.5	-63	174.8	0	0	0	109	Q5 L6 A181 L218 Y298	Q5-I300 HydrophobicContact CB-CG2 3.96Å; Q5-I300 HydrophobicContact CG-CG2 4.13Å; L6-I300 WeakPolarHBondContact O-CA 3.25Å; A181-I300 HydrophobicContact CB-CD1 3.91Å; L218-I300 HydrophobicContact CB-CD1 4.02Å; Y298-I300 HydrophobicContact CD2-CD1 4.35Å; Y298-I300 HydrophobicContact CD2-CG1 4.01Å; Y298-I300 HydrophobicContact CE2-CD1 4.29Å; Y298-I300 HydrophobicContact CE2-CG1 4.34Å
301	E	78.2	Confident	80	Confident	51 Å²	51	71.6 Å²	71.6	24%	0.238	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.4	176.1	-50.5	-150.9	112	0	0	111.3	L6 L8 R299 Q304	L6-E301 WeakPolarHBondContact CB-O 3.1Å; L6-E301 HydrophobicContact CD2-CB 4.09Å; L8-E301 HydrophobicContact CD1-CG 4.19Å; R299-E301 HydrophobicContact CG-CG 3.8Å; R299-E301 IonicContact CZ-OE1 2.67Å; R299-E301 VanDerWaalsContact NE-CD 3.29Å; R299-E301 IonicContact NE-OE1 2.71Å; R299-E301 PolarHBondContact NE-OE1 3.38Å; R299-E301 IonicContact NH2-OE1 3.52Å; R299-E301 PolarHBondContact NH2-OE1 3.27Å; E301-Q304 HydrophobicContact CB-CB 4.47Å; E301-Q304 HydrophobicContact CB-CG 3.44Å; E301-Q304 VanDerWaalsContact CB-CG 3.44Å; E301-Q304 HydrophobicContact CG-CG 4.47Å
302	R	75	Confident	80.7	Confident	106 Å²	106	75.7 Å²	75.7	40%	0.4	39%	0.394	S	S	.	.	S	Bend	trans	-103.4	139.4	-171.4	-69.8	177.6	-176	-179.5	2.9	110.3	Q3 Q304	Q3-R302 VanDerWaalsContact OE1-CB 3.25Å; Q3-R302 VanDerWaalsContact OE1-CD 3.27Å; R302-Q304 PolarHBondContact O-N 3.37Å; R302-Q304 VanDerWaalsContact O-N 3.11Å; R302-Q304 PolarHBondContact O-NE2 2.95Å
303	H	77.6	Confident	81.7	Confident	94 Å²	94	79.5 Å²	79.5	44%	0.435	41%	0.409	S	S	.	.	S	Bend	trans	58.3	14.2	-179.1	-56.4	-87	0	0	0	115.8	Q3 Y98	Q3-H303 PolarHBondContact NE2-CD2 2.96Å; Q3-H303 PolarHBondContact NE2-CE1 3.07Å; Q3-H303 VanDerWaalsContact NE2-CG 3.32Å; Q3-H303 PolarHBondContact NE2-ND1 3.31Å; Q3-H303 PolarHBondContact NE2-NE2 2.8Å; Y98-H303 AromaticContact CE1-CE1 3.84Å
304	Q	80.5	Confident	82.4	Confident	91 Å²	91	82.4 Å²	82.4	43%	0.425	42%	0.417	S	S	.	.			trans	-68.3	142.7	177.9	-64.3	-52.3	-54.2	0	0	111.9	L6 P101 E301 R302	L6-Q304 HydrophobicContact CD2-CB 3.98Å; L6-Q304 HydrophobicContact CD2-CG 4.41Å; P101-Q304 WeakPolarHBondContact CA-O 3.11Å; E301-Q304 HydrophobicContact CB-CB 4.47Å; E301-Q304 HydrophobicContact CB-CG 3.44Å; E301-Q304 VanDerWaalsContact CB-CG 3.44Å; E301-Q304 HydrophobicContact CG-CG 4.47Å; R302-Q304 PolarHBondContact O-N 3.37Å; R302-Q304 VanDerWaalsContact O-N 3.11Å; R302-Q304 PolarHBondContact O-NE2 2.95Å
305	V	84	Confident	82.9	Confident	65 Å²	65	80.7 Å²	80.7	39%	0.394	41%	0.413	S	S	.	.			trans	-144.1	126.4	175.4	-177.7	0	0	0	0	107.1	R100 P101 D307	R100-V305 HydrophobicContact CB-CB 4.42Å; R100-V305 HydrophobicContact CB-CG1 3.87Å; R100-V305 HydrophobicContact CB-CG2 3.64Å; R100-V305 HydrophobicContact CG-CG1 4.27Å; P101-V305 HydrophobicContact CG-CG2 4.21Å; V305-D307 WeakPolarHBondContact CG1-OD1 3.42Å
306	N	85.1	Confident	83.6	Confident	66 Å²	66	78.2 Å²	78.2	35%	0.353	40%	0.398	S	S	.	.			trans	-133.9	86.1	174.5	-178.1	10.3	0	0	0	109.9	M104 T308 H309	M104-N306 WeakPolarHBondContact CE-O 3.38Å; M104-N306 HydrophobicContact SD-CB 3.62Å; M104-N306 PolarHBondContact SD-N 3.38Å; N306-T308 PolarHBondContact O-N 3.26Å; N306-T308 VanDerWaalsContact O-N 3.08Å; N306-T308 PolarHBondContact OD1-N 2.98Å; N306-T308 PolarHBondContact OD1-OG1 3.4Å; N306-H309 PolarHBondContact ND2-ND1 2.03Å; N306-H309 PolarHBondContact O-N 3.18Å; N306-H309 VanDerWaalsContact O-N 3.07Å
307	D	83.2	Confident	84.1	Confident	89 Å²	89	79.1 Å²	79.1	48%	0.476	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-5.1	-178.8	-67.2	-27.7	0	0	0	113.5	R100 V305	R100-D307 WeakPolarHBondContact CD-OD1 3.45Å; R100-D307 IonicContact CZ-OD1 2.71Å; R100-D307 IonicContact CZ-OD2 3.45Å; R100-D307 IonicContact NE-OD1 2.68Å; R100-D307 IonicContact NE-OD2 2.71Å; R100-D307 IonicContact NH1-OD1 2.61Å; R100-D307 PolarHBondContact NH1-OD1 2.7Å; R100-D307 IonicContact NH1-OD2 3.8Å; R100-D307 PolarHBondContact NH1-OD2 3.45Å; V305-D307 WeakPolarHBondContact CG1-OD1 3.42Å
308	T	88.4	Confident	84.8	Confident	108 Å²	108	80.5 Å²	80.5	66%	0.663	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-15	171.4	72.7	0	0	0	0	113.5	N306 P310	N306-T308 PolarHBondContact O-N 3.26Å; N306-T308 VanDerWaalsContact O-N 3.08Å; N306-T308 PolarHBondContact OD1-N 2.98Å; N306-T308 PolarHBondContact OD1-OG1 3.4Å; T308-P310 VanDerWaalsContact C-CD 3.46Å
309	H	87.4	Confident	85.1	Confident	98 Å²	98	84.3 Å²	84.3	45%	0.454	43%	0.425	S	S	.	.	S	Bend	trans	-127.9	65.3	179.4	-69.7	61.7	0	0	0	110.1	N306	N306-H309 PolarHBondContact ND2-ND1 2.03Å; N306-H309 PolarHBondContact O-N 3.18Å; N306-H309 VanDerWaalsContact O-N 3.07Å
310	P	92.3	Very high	85.6	Confident	65 Å²	65	80.4 Å²	80.4	42%	0.422	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-67.1	155.9	-179.9	30.3	-36.4	0	0	0	111.9	R107 T308	R107-P310 WeakPolarHBondContact CD-O 3.04Å; R107-P310 PolarHBondContact NH1-O 3.39Å; T308-P310 VanDerWaalsContact C-CD 3.46Å
311	P	94.7	Very high	86.5	Confident	5 Å²	5	83.8 Å²	83.8	3%	0.032	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-46.7	154.1	161.8	-31.1	39.5	0	0	0	113.1	L103 I106 R107 Q110 L136	L103-P311 HydrophobicContact CB-CG 3.95Å; L103-P311 HydrophobicContact CD2-CG 4.22Å; L103-P311 WeakPolarHBondContact O-CG 3.44Å; I106-P311 HydrophobicContact CB-CG 4.19Å; I106-P311 HydrophobicContact CG2-CB 4.09Å; I106-P311 HydrophobicContact CG2-CG 4.21Å; R107-P311 HydrophobicContact CB-CG 4.21Å; Q110-P311 VanDerWaalsContact OE1-CA 3.28Å; L136-P311 HydrophobicContact CD1-CB 4Å; L136-P311 HydrophobicContact CD1-CG 4.23Å; L136-P311 HydrophobicContact CD2-CB 3.77Å; L136-P311 HydrophobicContact CG-CB 4.42Å
312	F	96.4	Very high	87.1	Confident	102 Å²	102	86.3 Å²	86.3	45%	0.447	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-73.3	129.6	172.1	-58.1	-81.7	0	0	0	110.1	R107 Q110 E111 C137	R107-F312 VanDerWaalsContact NH1-CZ 3.3Å; Q110-F312 HydrophobicContact CB-CD2 3.9Å; Q110-F312 HydrophobicContact CB-CE2 4.33Å; Q110-F312 PolarHBondContact NE2-O 3.2Å; E111-F312 HydrophobicContact CG-CE2 4.41Å; C137-F312 HydrophobicContact CB-CB 4.34Å; C137-F312 PolarHBondContact N-O 3.03Å; C137-F312 PolarHBondContact SG-O 3.34Å
313	E	96.3	Very high	88.1	Confident	102 Å²	102	84.7 Å²	84.7	48%	0.477	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-92.3	146.1	173.1	-73.9	-173.4	-100.2	0	0	111.9	H132 R135 L136 C137	H132-E313 IonicContact CD2-OE1 2.67Å; H132-E313 IonicContact CD2-OE2 2.67Å; H132-E313 IonicContact NE2-OE1 3.33Å; R135-E313 IonicContact CZ-OE2 2.79Å; R135-E313 IonicContact NE-OE2 3.85Å; R135-E313 PolarHBondContact NE-OE2 3.03Å; R135-E313 IonicContact NH2-OE1 3.13Å; R135-E313 IonicContact NH2-OE2 2.62Å; R135-E313 PolarHBondContact NH2-OE2 2.96Å; R135-E313 CarbonylContact O-C 3.57Å; R135-E313 WeakPolarHBondContact O-CA 3.33Å; R135-E313 WeakPolarHBondContact O-CB 3.42Å; L136-E313 HydrophobicContact CD2-CG 3.83Å; C137-E313 PolarHBondContact SG-O 3.29Å
314	C	91.3	Very high	89.1	Confident	131 Å²	131	83.8 Å²	83.8	89%	0.885	46%	0.457	S	S	*	.			trans	-139.4	0	-178.8	-82.1	0	0	0	0	109.8	R135 C137	R135-C314 WeakPolarHBondContact CA-OXT 3.22Å; R135-C314 PolarHBondContact O-N 3.38Å; C137-C314 VanDerWaalsContact CA-SG 3.55Å; C137-C314 HydrophobicContact CB-CB 3.97Å; C137-C314 WeakPolarHBondContact CB-SG 3.23Å; C137-C314 WeakPolarHBondContact SG-CB 3.45Å; C137-C314 CovalentContact SG-SG 2.04Å; C137-C314 PolarHBondContact SG-SG 2.89Å

Retrieved 314 of 314 residues in 68.4 ms (Link to these results)

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