G4VHZ6_SCHMA Loading...

Putative ribose-phosphate pyrophosphokinase 1,2

AlphaFold DB , UniProt , Accession G4VHZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 379 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	36.4	Very low	29.8	Very low	235 Å²	235	164.4 Å²	164.4	100%	1.158	86%	0.858	S	S	*	*				0	118.6	0	-83.8	176	171.3	0	0	107.9	C3	M1-C3 PolarHBondContact O-N 2.75Å
2	Y	33.7	Very low	29.6	Very low	235 Å²	235	168.3 Å²	168.3	92%	0.922	86%	0.864	S	S	*	*			trans	-72.1	110	-177.4	-92.3	-96.7	0	0	0	110.6	R4	Y2-R4 PolarHBondContact O-N 3.16Å
3	C	27.9	Very low	29.4	Very low	130 Å²	130	163.9 Å²	163.9	88%	0.878	85%	0.849	S	S	*	*			trans	-73	101.7	167.8	-69.8	0	0	0	0	108.9	M1 G5	M1-C3 PolarHBondContact O-N 2.75Å; C3-G5 PolarHBondContact O-N 3.27Å
4	R	33.5	Very low	29	Very low	232 Å²	232	165.9 Å²	165.9	88%	0.875	85%	0.852	S	S	*	*			trans	-71.1	123.8	170.4	-74.8	-176.1	174	-176.9	-1.7	109.2	Y2	Y2-R4 PolarHBondContact O-N 3.16Å
5	G	27.4	Very low	28.8	Very low	80 Å²	80	170.2 Å²	170.2	83%	0.825	85%	0.853	S	S	*	*			trans	-65.7	127.6	165.6	0	0	0	0	0	110.4	C3	C3-G5 PolarHBondContact O-N 3.27Å
6	I	32.5	Very low	28.5	Very low	161 Å²	161	165.1 Å²	165.1	83%	0.826	86%	0.857	S	S	*	*			trans	-123.5	105.4	164.4	-63.1	177.8	0	0	0	105.3
7	N	26.1	Very low	28.5	Very low	153 Å²	153	159.1 Å²	159.1	82%	0.818	84%	0.844	S	S	*	*			trans	-75.7	153.4	170.9	-138	4.1	0	0	0	109
8	P	32.4	Very low	28.3	Very low	106 Å²	106	160.2 Å²	160.2	69%	0.688	85%	0.851	S	S	*	*			trans	-90	-174.9	-165.9	37.1	-32.4	0	0	0	112.2
9	V	29.1	Very low	28.3	Very low	134 Å²	134	158.4 Å²	158.4	81%	0.812	85%	0.846	S	S	*	*			trans	115.1	111.3	161.5	-172.2	0	0	0	0	115
10	S	25.1	Very low	28.3	Very low	108 Å²	108	157.6 Å²	157.6	76%	0.755	85%	0.847	S	S	*	*			trans	62.1	97.3	142.3	-169.5	0	0	0	0	119.4
11	R	23.7	Very low	28.3	Very low	234 Å²	234	152.6 Å²	152.6	88%	0.883	83%	0.833	S	S	*	*			trans	-144.2	91.9	143.9	-99.8	-175.5	-175.3	169.7	2.3	108.6
12	F	28.1	Very low	27.9	Very low	212 Å²	212	149.8 Å²	149.8	93%	0.93	82%	0.819	S	S	*	*			trans	-114.1	108.4	160.7	-100.6	-88.4	0	0	0	109.4
13	V	25.8	Very low	27.7	Very low	111 Å²	111	141.4 Å²	141.4	67%	0.673	80%	0.804	S	S	*	*			trans	-71.3	122.9	-177.6	174.9	0	0	0	0	108.8	R15	V13-R15 HydrophobicContact CG1-CG 4.35Å; V13-R15 PolarHBondContact O-N 3.43Å
14	H	23.7	Very low	28	Very low	191 Å²	191	142.7 Å²	142.7	88%	0.884	80%	0.801	S	S	*	*			trans	-60	113.5	165.5	-92.1	19.9	0	0	0	109.6
15	R	27.2	Very low	27.8	Very low	231 Å²	231	139.1 Å²	139.1	87%	0.872	80%	0.799	S	S	*	*			trans	-120	119.1	160.5	-79.7	-168.2	175.8	-164.9	-0.3	108.4	V13	V13-R15 HydrophobicContact CG1-CG 4.35Å; V13-R15 PolarHBondContact O-N 3.43Å
16	G	23.8	Very low	28.4	Very low	89 Å²	89	146.3 Å²	146.3	92%	0.918	80%	0.801	S	S	*	*			trans	-59.9	138.8	174.8	0	0	0	0	0	111.3
17	G	27.9	Very low	29.1	Very low	62 Å²	62	142.9 Å²	142.9	64%	0.639	79%	0.791	S	S	*	*			trans	179.4	110.3	175.7	0	0	0	0	0	108	V19	G17-V19 VanDerWaalsContact C-N 3.33Å; G17-V19 PolarHBondContact O-N 3.43Å
18	N	25.5	Very low	30.5	Very low	180 Å²	180	141.6 Å²	141.6	96%	0.963	78%	0.778	S	S	*	*			trans	-57.9	95	172.2	-78.1	-22.8	0	0	0	109.1
19	V	28.1	Very low	32.8	Very low	126 Å²	126	136.9 Å²	136.9	76%	0.764	75%	0.749	S	S	*	*			trans	-127.4	111.6	168.8	-172.4	0	0	0	0	106.6	G17 G21	G17-V19 VanDerWaalsContact C-N 3.33Å; G17-V19 PolarHBondContact O-N 3.43Å; V19-G21 VanDerWaalsContact C-N 3.31Å; V19-G21 PolarHBondContact O-N 3.23Å
20	V	29	Very low	35.9	Very low	141 Å²	141	132.4 Å²	132.4	86%	0.855	72%	0.72	S	S	*	*			trans	-50.5	99.8	165.3	177.2	0	0	0	0	106.6	M22	V20-M22 PolarHBondContact O-N 3.41Å
21	G	27.4	Very low	39.3	Very low	53 Å²	53	127.5 Å²	127.5	55%	0.546	69%	0.685	S	S	.	*			trans	-68.6	97.3	-167.6	0	0	0	0	0	111.4	V19 G23 L24	V19-G21 VanDerWaalsContact C-N 3.31Å; V19-G21 PolarHBondContact O-N 3.23Å; G21-G23 PolarHBondContact O-N 3.05Å; G21-L24 PolarHBondContact O-N 3.37Å
22	M	29	Very low	42.9	Very low	176 Å²	176	116.5 Å²	116.5	87%	0.867	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	15.3	158.1	-78.2	-178.9	78	0	0	113	V20	V20-M22 PolarHBondContact O-N 3.41Å
23	G	29.2	Very low	46.2	Very low	59 Å²	59	106.4 Å²	106.4	61%	0.608	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-14.5	169.9	0	0	0	0	0	114.5	G21 L25	G21-G23 PolarHBondContact O-N 3.05Å; G23-L25 VanDerWaalsContact C-N 3.31Å; G23-L25 PolarHBondContact O-N 3.38Å
24	L	33.3	Very low	49.5	Very low	158 Å²	158	102.1 Å²	102.1	83%	0.827	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-76.1	-14.9	-175.8	-126	81.8	0	0	0	114.3	G21 R26	G21-L24 PolarHBondContact O-N 3.37Å; L24-R26 PolarHBondContact O-N 3.07Å
25	L	30.1	Very low	52.9	Low	156 Å²	156	93.3 Å²	93.3	82%	0.817	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-78.9	2.4	179.1	-81.4	161.1	0	0	0	114.2	G23	G23-L25 VanDerWaalsContact C-N 3.31Å; G23-L25 PolarHBondContact O-N 3.38Å
26	R	39.8	Very low	56.2	Low	232 Å²	232	86 Å²	86	88%	0.875	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-102.4	-3.7	177.8	-78.8	-167	173.3	-156.8	-0.6	115.7	L24 K28	L24-R26 PolarHBondContact O-N 3.07Å; R26-K28 VanDerWaalsContact C-N 3.33Å; R26-K28 PolarHBondContact O-N 2.85Å; R26-K28 VanDerWaalsContact O-N 3.09Å
27	S	46.4	Very low	59.7	Low	89 Å²	89	82.3 Å²	82.3	62%	0.622	48%	0.475	S	S	*	.			trans	-81.1	90.4	163.1	-174.7	0	0	0	0	107.4	G29	S27-G29 PolarHBondContact O-N 2.9Å; S27-G29 WeakPolarHBondContact OG-CA 3.38Å; S27-G29 PolarHBondContact OG-N 3.06Å
28	K	55.3	Low	63	Low	125 Å²	125	79.7 Å²	79.7	54%	0.543	45%	0.446	S	S	.	.			trans	-64	54.7	157	-84.5	-172.2	179.7	176.4	0	108.3	R26 M30 R109 Y363	R26-K28 VanDerWaalsContact C-N 3.33Å; R26-K28 PolarHBondContact O-N 2.85Å; R26-K28 VanDerWaalsContact O-N 3.09Å; K28-M30 PolarHBondContact O-N 3.21Å; K28-R109 PolarHBondContact O-NH2 3.29Å; K28-Y363 VanDerWaalsContact C-OH 3.3Å; K28-Y363 HydrophobicContact CB-CE2 4.45Å; K28-Y363 PolarHBondContact N-OH 3.09Å; K28-Y363 VanDerWaalsContact O-CE2 3.31Å; K28-Y363 WeakPolarHBondContact O-CE2 3.34Å; K28-Y363 PolarHBondContact O-OH 3.16Å; K28-Y363 VanDerWaalsContact O-OH 3.1Å
29	G	81.9	Confident	66.4	Low	8 Å²	8	74.2 Å²	74.2	8%	0.082	42%	0.421	C	S	.	.			trans	-42.4	121.2	-145	0	0	0	0	0	115	S27 R77 D78	S27-G29 PolarHBondContact O-N 2.9Å; S27-G29 WeakPolarHBondContact OG-CA 3.38Å; S27-G29 PolarHBondContact OG-N 3.06Å; G29-R77 WeakPolarHBondContact O-CA 3.44Å; G29-R77 WeakPolarHBondContact O-CB 3.49Å; G29-R77 WeakPolarHBondContact O-CG 3.5Å; G29-D78 PolarHBondContact O-N 3.05Å
30	M	93.8	Very high	69.6	Low	39 Å²	39	73 Å²	73	19%	0.192	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	141.9	166.5	-178.4	170.9	65.7	0	0	109.3	K28 I32 L49 V51 D78 Y80 I359 Y363	K28-M30 PolarHBondContact O-N 3.21Å; M30-I32 HydrophobicContact CE-CD1 4.15Å; M30-I32 HydrophobicContact CE-CG1 4.42Å; M30-I32 HydrophobicContact CG-CG1 4.32Å; M30-I32 HydrophobicContact SD-CD1 4.46Å; M30-I32 HydrophobicContact SD-CG1 4.4Å; M30-L49 HydrophobicContact CE-CD1 4.17Å; M30-V51 HydrophobicContact CE-CG1 3.78Å; M30-V51 HydrophobicContact CE-CG2 4.2Å; M30-D78 CarbonylContact C-O 3.55Å; M30-D78 WeakPolarHBondContact CA-O 3.42Å; M30-Y80 HydrophobicContact CG-CD2 3.59Å; M30-Y80 HydrophobicContact CG-CE2 3.66Å; M30-Y80 HydrophobicContact SD-CD2 3.8Å; M30-Y80 HydrophobicContact SD-CE2 3.66Å; M30-I359 HydrophobicContact CE-CG2 4.48Å; M30-I359 HydrophobicContact SD-CG2 3.49Å; M30-I359 WeakPolarHBondContact SD-CG2 3.37Å; M30-Y363 HydrophobicContact CB-CD2 3.95Å; M30-Y363 HydrophobicContact CB-CE2 3.7Å; M30-Y363 HydrophobicContact CG-CD2 4.41Å; M30-Y363 HydrophobicContact SD-CD2 4.43Å; M30-Y363 HydrophobicContact SD-CG 4.44Å
31	V	96.7	Very high	72.9	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.03	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.1	168.9	177.6	0	0	0	0	108.2	L33 E72 V74 R77 D78 V79 Y80	V31-L33 HydrophobicContact CG1-CD2 3.53Å; V31-L33 HydrophobicContact CG1-CG 3.91Å; V31-E72 WeakPolarHBondContact CG1-OE1 3.47Å; V31-V74 HydrophobicContact CG1-CG1 4.3Å; V31-R77 HydrophobicContact CG2-CB 4.27Å; V31-R77 HydrophobicContact CG2-CG 4.46Å; V31-D78 PolarHBondContact N-O 3.46Å; V31-V79 CarbonylContact O-C 3.49Å; V31-V79 WeakPolarHBondContact O-CA 3.19Å; V31-Y80 PolarHBondContact O-N 3.05Å
32	I	98	Very high	76.3	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.015	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112	174.7	-56.9	-174.7	0	0	0	108.2	M30 L49 V51 G54 Y80 I82	M30-I32 HydrophobicContact CE-CD1 4.15Å; M30-I32 HydrophobicContact CE-CG1 4.42Å; M30-I32 HydrophobicContact CG-CG1 4.32Å; M30-I32 HydrophobicContact SD-CD1 4.46Å; M30-I32 HydrophobicContact SD-CG1 4.4Å; I32-L49 HydrophobicContact CD1-CD1 3.47Å; I32-L49 VanDerWaalsContact CD1-CD1 3.47Å; I32-V51 HydrophobicContact CD1-CG2 3.62Å; I32-V51 HydrophobicContact CG1-CG2 4.34Å; I32-G54 WeakPolarHBondContact O-CA 3.23Å; I32-G54 PolarHBondContact O-N 2.97Å; I32-Y80 CarbonylContact C-O 3.58Å; I32-Y80 WeakPolarHBondContact CA-O 3.4Å; I32-I82 HydrophobicContact CG2-CD1 3.58Å; I32-I82 HydrophobicContact CG2-CG1 4.01Å
33	L	98	Very high	79.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	162.7	173.4	-53.2	178.4	0	0	0	109.3	V31 C56 I70 V74 V79 Y80 I81 I82 I99 C103	V31-L33 HydrophobicContact CG1-CD2 3.53Å; V31-L33 HydrophobicContact CG1-CG 3.91Å; L33-C56 HydrophobicContact CB-CB 4.42Å; L33-C56 HydrophobicContact CD2-CB 4.04Å; L33-I70 HydrophobicContact CD1-CD1 4.13Å; L33-I70 HydrophobicContact CD1-CG1 4.48Å; L33-I70 HydrophobicContact CD1-CG2 4.49Å; L33-V74 HydrophobicContact CD1-CG1 4.4Å; L33-V79 HydrophobicContact CD1-CG1 3.71Å; L33-V79 HydrophobicContact CG-CG1 3.96Å; L33-Y80 PolarHBondContact N-O 3.41Å; L33-I81 WeakPolarHBondContact O-CA 3.35Å; L33-I82 PolarHBondContact O-N 2.79Å; L33-I99 HydrophobicContact CB-CG2 4.39Å; L33-I99 HydrophobicContact CD1-CG2 3.99Å; L33-C103 WeakPolarHBondContact CD1-SG 3.44Å
34	A	96.4	Very high	82.8	Confident	21 Å²	21	59.6 Å²	59.6	17%	0.174	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.7	175.2	0	0	0	0	0	110.8	V42 I82	A34-V42 HydrophobicContact CB-CB 4.19Å; A34-V42 HydrophobicContact CB-CG1 3.82Å; A34-V42 HydrophobicContact CB-CG2 3.41Å; A34-V42 VanDerWaalsContact CB-CG2 3.41Å; A34-I82 WeakPolarHBondContact CA-O 3.45Å
35	G	95	Very high	86	Confident	6 Å²	6	52.1 Å²	52.1	6%	0.062	27%	0.266	C	S	.	.			trans	-84.3	-161.8	158	0	0	0	0	0	110.9	I82 E95	G35-I82 PolarHBondContact N-O 2.86Å; G35-E95 WeakPolarHBondContact CA-OE2 3.06Å
36	N	96.4	Very high	89.2	Confident	79 Å²	79	44.8 Å²	44.8	42%	0.422	23%	0.228	S	C	.	.	S	Bend	trans	-89.2	-5.2	-176.1	-68.7	-47.4	0	0	0	114.1	H38 V58 E95	N36-H38 PolarHBondContact O-N 3.16Å; N36-V58 PolarHBondContact ND2-O 3Å; N36-E95 PolarHBondContact N-OE2 2.8Å; N36-E95 PolarHBondContact ND2-OE1 3.46Å
37	S	96.6	Very high	91.9	Very high	10 Å²	10	41 Å²	41	7%	0.07	22%	0.22	C	C	.	.	S	Bend	trans	-59	-45.3	-170.8	59	0	0	0	0	114.7	Q83 S84 T86	S37-Q83 WeakPolarHBondContact OG-CA 3.28Å; S37-Q83 PolarHBondContact OG-OE1 2.92Å; S37-S84 WeakPolarHBondContact CB-O 3.39Å; S37-S84 PolarHBondContact OG-N 3.46Å; S37-T86 WeakPolarHBondContact O-CG2 3.42Å
38	H	97.1	Very high	94.3	Very high	8 Å²	8	41 Å²	41	4%	0.037	21%	0.21	C	C	.	.			trans	-154.5	75	-175.4	-160.5	-4.6	0	0	0	113.6	N36 E40 L41 V42 N332	N36-H38 PolarHBondContact O-N 3.16Å; H38-E40 VanDerWaalsContact C-N 3.27Å; H38-E40 PolarHBondContact O-N 2.89Å; H38-L41 HydrophobicContact CB-CB 4.07Å; H38-L41 VanDerWaalsContact CD2-CB 3.45Å; H38-L41 WeakPolarHBondContact CD2-CB 3.34Å; H38-L41 PolarHBondContact ND1-N 3.11Å; H38-L41 PolarHBondContact O-N 3.46Å; H38-V42 WeakPolarHBondContact O-CG2 3.4Å; H38-V42 PolarHBondContact O-N 2.91Å; H38-N332 PolarHBondContact CD2-O 3.42Å; H38-N332 PolarHBondContact NE2-O 3.05Å
39	P	96.2	Very high	96.3	Very high	65 Å²	65	36.5 Å²	36.5	42%	0.422	19%	0.192	S	C	.	.	H	α-helix	trans	-58.1	-34	-178.2	-26.5	35.6	0	0	0	114.5	V42 K43	P39-V42 WeakPolarHBondContact O-CB 3.21Å; P39-V42 PolarHBondContact O-N 2.85Å; P39-K43 WeakPolarHBondContact O-CG 3.29Å; P39-K43 PolarHBondContact O-N 3.36Å
40	E	96.6	Very high	96.9	Very high	101 Å²	101	43.5 Å²	43.5	47%	0.472	23%	0.227	S	C	.	.	H	α-helix	trans	-66.9	-41.5	178.6	-63.7	-52.2	120.8	0	0	112.6	H38 V42 K43 A44	H38-E40 VanDerWaalsContact C-N 3.27Å; H38-E40 PolarHBondContact O-N 2.89Å; E40-V42 VanDerWaalsContact C-N 3.31Å; E40-V42 PolarHBondContact O-N 2.74Å; E40-K43 PolarHBondContact O-N 3.37Å; E40-K43 IonicContact OE1-NZ 3.09Å; E40-K43 PolarHBondContact OE1-NZ 2.86Å; E40-K43 IonicContact OE2-NZ 3.52Å; E40-A44 PolarHBondContact O-N 3.38Å
41	L	98.3	Very high	96.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-41.5	173.8	177.6	66.3	0	0	0	111.3	H38 K43 A44 V45 P116 I351 L355	H38-L41 HydrophobicContact CB-CB 4.07Å; H38-L41 VanDerWaalsContact CD2-CB 3.45Å; H38-L41 WeakPolarHBondContact CD2-CB 3.34Å; H38-L41 PolarHBondContact ND1-N 3.11Å; H38-L41 PolarHBondContact O-N 3.46Å; L41-K43 PolarHBondContact O-N 2.83Å; L41-A44 PolarHBondContact O-N 3.37Å; L41-V45 HydrophobicContact CD1-CG2 4.28Å; L41-V45 HydrophobicContact CG-CG2 4.45Å; L41-V45 WeakPolarHBondContact O-CG2 3.26Å; L41-V45 PolarHBondContact O-N 2.9Å; L41-P116 HydrophobicContact CD2-CG 3.88Å; L41-I351 HydrophobicContact CD1-CD1 3.71Å; L41-I351 HydrophobicContact CD2-CD1 4.48Å; L41-L355 HydrophobicContact CD1-CD1 4.16Å; L41-L355 HydrophobicContact CD2-CD1 4.06Å; L41-L355 HydrophobicContact CG-CD1 4.39Å
42	V	98	Very high	96.8	Very high	7 Å²	7	54 Å²	54	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-47.3	177.6	178.2	0	0	0	0	110.6	A34 H38 P39 E40 A44 V45 C46 I82	A34-V42 HydrophobicContact CB-CB 4.19Å; A34-V42 HydrophobicContact CB-CG1 3.82Å; A34-V42 HydrophobicContact CB-CG2 3.41Å; A34-V42 VanDerWaalsContact CB-CG2 3.41Å; H38-V42 WeakPolarHBondContact O-CG2 3.4Å; H38-V42 PolarHBondContact O-N 2.91Å; P39-V42 WeakPolarHBondContact O-CB 3.21Å; P39-V42 PolarHBondContact O-N 2.85Å; E40-V42 VanDerWaalsContact C-N 3.31Å; E40-V42 PolarHBondContact O-N 2.74Å; V42-A44 VanDerWaalsContact C-N 3.32Å; V42-A44 PolarHBondContact O-N 3.25Å; V42-V45 PolarHBondContact O-N 3.31Å; V42-C46 WeakPolarHBondContact O-CB 3.46Å; V42-C46 PolarHBondContact O-N 2.97Å; V42-C46 PolarHBondContact O-SG 2.88Å; V42-C46 VanDerWaalsContact O-SG 3.35Å; V42-I82 HydrophobicContact CG1-CD1 4.47Å; V42-I82 HydrophobicContact CG2-CB 4Å; V42-I82 HydrophobicContact CG2-CG2 3.88Å
43	K	97.7	Very high	96.7	Very high	113 Å²	113	56.4 Å²	56.4	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-44.1	176.6	-71.5	171.2	-172.2	167.9	0	111.4	P39 E40 L41 C46 H47	P39-K43 WeakPolarHBondContact O-CG 3.29Å; P39-K43 PolarHBondContact O-N 3.36Å; E40-K43 PolarHBondContact O-N 3.37Å; E40-K43 IonicContact OE1-NZ 3.09Å; E40-K43 PolarHBondContact OE1-NZ 2.86Å; E40-K43 IonicContact OE2-NZ 3.52Å; L41-K43 PolarHBondContact O-N 2.83Å; K43-C46 PolarHBondContact O-N 2.96Å; K43-H47 VanDerWaalsContact O-CB 3.3Å; K43-H47 WeakPolarHBondContact O-CB 3.01Å; K43-H47 PolarHBondContact O-N 2.9Å
44	A	98.5	Very high	96.5	Very high	26 Å²	26	57 Å²	57	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-45.1	179.6	0	0	0	0	0	112	E40 L41 V42 H47 H48 S352	E40-A44 PolarHBondContact O-N 3.38Å; L41-A44 PolarHBondContact O-N 3.37Å; V42-A44 VanDerWaalsContact C-N 3.32Å; V42-A44 PolarHBondContact O-N 3.25Å; A44-H47 WeakPolarHBondContact O-CB 3.39Å; A44-H47 PolarHBondContact O-N 2.87Å; A44-H48 PolarHBondContact O-CD2 3.5Å; A44-H48 PolarHBondContact O-N 3.15Å; A44-S352 WeakPolarHBondContact CB-OG 3.47Å
45	V	98.5	Very high	96.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-47	175.3	172.1	0	0	0	0	111.3	L41 V42 H47 H48 L49 I82 L355 A356 I359	L41-V45 HydrophobicContact CD1-CG2 4.28Å; L41-V45 HydrophobicContact CG-CG2 4.45Å; L41-V45 WeakPolarHBondContact O-CG2 3.26Å; L41-V45 PolarHBondContact O-N 2.9Å; V42-V45 PolarHBondContact O-N 3.31Å; V45-H47 VanDerWaalsContact C-N 3.3Å; V45-H47 PolarHBondContact O-N 2.82Å; V45-H48 PolarHBondContact O-N 3.38Å; V45-L49 HydrophobicContact CG1-CD1 3.98Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.44Å; V45-L49 VanDerWaalsContact O-N 3.14Å; V45-I82 HydrophobicContact CB-CD1 4Å; V45-I82 HydrophobicContact CG1-CD1 3.78Å; V45-I82 HydrophobicContact CG2-CD1 4.38Å; V45-L355 HydrophobicContact CG2-CB 3.91Å; V45-L355 HydrophobicContact CG2-CD1 4.14Å; V45-A356 HydrophobicContact CG1-CB 4.31Å; V45-I359 HydrophobicContact CG1-CD1 3.73Å
46	C	97.4	Very high	96.4	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-38.2	176.4	-76.4	0	0	0	0	112.3	V42 K43 L49 D50 V51 P53	V42-C46 WeakPolarHBondContact O-CB 3.46Å; V42-C46 PolarHBondContact O-N 2.97Å; V42-C46 PolarHBondContact O-SG 2.88Å; V42-C46 VanDerWaalsContact O-SG 3.35Å; K43-C46 PolarHBondContact O-N 2.96Å; C46-L49 PolarHBondContact O-N 3.27Å; C46-D50 PolarHBondContact O-N 2.74Å; C46-D50 VanDerWaalsContact O-N 3.09Å; C46-V51 CarbonylContact C-O 3.59Å; C46-V51 HydrophobicContact CB-CG2 4.23Å; C46-V51 WeakPolarHBondContact CB-O 3.45Å; C46-V51 PolarHBondContact O-N 3.38Å; C46-P53 HydrophobicContact CB-CG 4.13Å
47	H	97.4	Very high	96.4	Very high	152 Å²	152	58 Å²	58	70%	0.704	30%	0.297	S	S	*	.	H	α-helix	trans	-62.6	-45.1	175.8	-179.2	71	0	0	0	112.2	K43 A44 V45 L49 D50	K43-H47 VanDerWaalsContact O-CB 3.3Å; K43-H47 WeakPolarHBondContact O-CB 3.01Å; K43-H47 PolarHBondContact O-N 2.9Å; A44-H47 WeakPolarHBondContact O-CB 3.39Å; A44-H47 PolarHBondContact O-N 2.87Å; V45-H47 VanDerWaalsContact C-N 3.3Å; V45-H47 PolarHBondContact O-N 2.82Å; H47-L49 PolarHBondContact O-N 2.97Å; H47-D50 PolarHBondContact O-N 3.34Å
48	H	97.4	Very high	96.5	Very high	91 Å²	91	58.3 Å²	58.3	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-29.4	175.8	-72.2	-62.9	0	0	0	113.7	A44 V45 S352 A356	A44-H48 PolarHBondContact O-CD2 3.5Å; A44-H48 PolarHBondContact O-N 3.15Å; V45-H48 PolarHBondContact O-N 3.38Å; H48-S352 PolarHBondContact CD2-OG 2.77Å; H48-S352 VanDerWaalsContact CD2-OG 3.22Å; H48-S352 PolarHBondContact NE2-OG 3.1Å; H48-A356 HydrophobicContact CB-CB 3.48Å; H48-A356 VanDerWaalsContact CB-CB 3.48Å
49	L	95.9	Very high	96.4	Very high	29 Å²	29	62.1 Å²	62.1	15%	0.152	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.3	179.1	-73.5	172.8	0	0	0	113.5	M30 I32 V45 C46 H47 V51 A356 I359 R360	M30-L49 HydrophobicContact CE-CD1 4.17Å; I32-L49 HydrophobicContact CD1-CD1 3.47Å; I32-L49 VanDerWaalsContact CD1-CD1 3.47Å; V45-L49 HydrophobicContact CG1-CD1 3.98Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.44Å; V45-L49 VanDerWaalsContact O-N 3.14Å; C46-L49 PolarHBondContact O-N 3.27Å; H47-L49 PolarHBondContact O-N 2.97Å; L49-V51 HydrophobicContact CB-CG1 4.37Å; L49-V51 HydrophobicContact CB-CG2 3.79Å; L49-V51 PolarHBondContact O-N 3.22Å; L49-A356 HydrophobicContact CD1-CB 4.43Å; L49-A356 HydrophobicContact CD2-CB 4.22Å; L49-A356 WeakPolarHBondContact CD2-O 3.07Å; L49-A356 HydrophobicContact CG-CB 3.88Å; L49-I359 HydrophobicContact CD1-CB 4.11Å; L49-I359 HydrophobicContact CD1-CD1 4.24Å; L49-I359 HydrophobicContact CD1-CG2 3.73Å; L49-R360 HydrophobicContact CD2-CB 3.89Å; L49-R360 HydrophobicContact CD2-CG 4.45Å
50	D	94.9	Very high	96.2	Very high	156 Å²	156	62 Å²	62	83%	0.834	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	44.1	-171.5	-164.4	32.3	0	0	0	112.3	C46 H47	C46-D50 PolarHBondContact O-N 2.74Å; C46-D50 VanDerWaalsContact O-N 3.09Å; H47-D50 PolarHBondContact O-N 3.34Å
51	V	94.6	Very high	96.1	Very high	54 Å²	54	63.7 Å²	63.7	33%	0.327	31%	0.31	S	S	.	.			trans	-126.8	156.3	177.3	-60	0	0	0	0	111.3	M30 I32 C46 L49	M30-V51 HydrophobicContact CE-CG1 3.78Å; M30-V51 HydrophobicContact CE-CG2 4.2Å; I32-V51 HydrophobicContact CD1-CG2 3.62Å; I32-V51 HydrophobicContact CG1-CG2 4.34Å; C46-V51 CarbonylContact C-O 3.59Å; C46-V51 HydrophobicContact CB-CG2 4.23Å; C46-V51 WeakPolarHBondContact CB-O 3.45Å; C46-V51 PolarHBondContact O-N 3.38Å; L49-V51 HydrophobicContact CB-CG1 4.37Å; L49-V51 HydrophobicContact CB-CG2 3.79Å; L49-V51 PolarHBondContact O-N 3.22Å
52	R	94.5	Very high	95.9	Very high	211 Å²	211	70.3 Å²	70.3	80%	0.796	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-87	140.2	171.9	-172.9	-172.5	166.2	175	-1.5	109.8	G54	R52-G54 PolarHBondContact O-N 2.91Å
53	P	95.3	Very high	95.7	Very high	53 Å²	53	73.5 Å²	73.5	34%	0.344	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-55.6	133.2	165.2	-20	29.5	0	0	0	110.9	C46	C46-P53 HydrophobicContact CB-CG 4.13Å
54	G	94.2	Very high	95.4	Very high	12 Å²	12	74.8 Å²	74.8	12%	0.124	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-64.8	149.8	175.4	0	0	0	0	0	111.4	I32 R52 C56 E72	I32-G54 WeakPolarHBondContact O-CA 3.23Å; I32-G54 PolarHBondContact O-N 2.97Å; R52-G54 PolarHBondContact O-N 2.91Å; G54-C56 PolarHBondContact O-N 3.09Å; G54-E72 VanDerWaalsContact CA-OE1 3.26Å; G54-E72 WeakPolarHBondContact CA-OE1 3.49Å
55	N	94.7	Very high	95.2	Very high	69 Å²	69	79.1 Å²	79.1	37%	0.369	40%	0.397	S	S	.	.			trans	-77.8	91.2	-176	-163.8	-0.9	0	0	0	111.4	K71 E72	N55-K71 HydrophobicContact CB-CB 3.96Å; N55-K71 WeakPolarHBondContact ND2-CB 3.11Å; N55-K71 PolarHBondContact O-N 2.96Å; N55-K71 WeakPolarHBondContact OD1-CD 3.26Å; N55-E72 HydrophobicContact CB-CG 4.46Å; N55-E72 VanDerWaalsContact N-CD 3.32Å; N55-E72 PolarHBondContact N-OE2 3.41Å
56	C	95.6	Very high	95.1	Very high	26 Å²	26	80.4 Å²	80.4	18%	0.176	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.8	173.5	-167.2	0	0	0	0	109.3	L33 G54 E69	L33-C56 HydrophobicContact CB-CB 4.42Å; L33-C56 HydrophobicContact CD2-CB 4.04Å; G54-C56 PolarHBondContact O-N 3.09Å; C56-E69 WeakPolarHBondContact CA-O 3.34Å
57	S	96.3	Very high	95.1	Very high	32 Å²	32	82.3 Å²	82.3	22%	0.224	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.7	171.4	-60.7	0	0	0	0	109	V68 E69 K71	S57-V68 WeakPolarHBondContact O-CA 3.47Å; S57-E69 PolarHBondContact N-O 2.96Å; S57-E69 PolarHBondContact O-N 3.38Å; S57-K71 PolarHBondContact OG-NZ 3.06Å
58	V	96.7	Very high	95.1	Very high	16 Å²	16	76 Å²	76	10%	0.097	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.2	-179.8	-174.3	0	0	0	0	107.6	N36 T66 D67 V68 E95 I99	N36-V58 PolarHBondContact ND2-O 3Å; V58-T66 HydrophobicContact CG1-CG2 4.08Å; V58-D67 WeakPolarHBondContact CA-O 3.33Å; V58-V68 HydrophobicContact CG1-CG2 4.11Å; V58-V68 HydrophobicContact CG2-CG2 4.2Å; V58-E95 HydrophobicContact CG1-CB 4.11Å; V58-E95 VanDerWaalsContact CG1-CD 3.44Å; V58-E95 HydrophobicContact CG1-CG 3.47Å; V58-E95 VanDerWaalsContact CG1-CG 3.47Å; V58-I99 HydrophobicContact CG2-CD1 3.95Å; V58-I99 HydrophobicContact CG2-CG1 4.29Å
59	F	95.2	Very high	95.1	Very high	88 Å²	88	76.2 Å²	76.2	39%	0.386	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	164.5	-173.8	53.4	-89.2	0	0	0	110.9	D67 E69	F59-D67 HydrophobicContact CD2-CB 4.05Å; F59-D67 HydrophobicContact CE2-CB 3.65Å; F59-D67 HydrophobicContact CZ-CB 3.98Å; F59-D67 PolarHBondContact N-O 3.12Å; F59-D67 PolarHBondContact O-N 3.25Å; F59-E69 HydrophobicContact CE1-CB 4.35Å
60	F	93.9	Very high	95.2	Very high	64 Å²	64	76.8 Å²	76.8	28%	0.281	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.6	175.9	-59.1	-75.1	0	0	0	110.2	E65 N91	F60-E65 CarbonylContact C-O 3.56Å; F60-E65 WeakPolarHBondContact CA-O 3.44Å; F60-N91 HydrophobicContact CE1-CB 4.12Å; F60-N91 HydrophobicContact CZ-CB 3.96Å
61	R	93.8	Very high	95.2	Very high	136 Å²	136	74 Å²	74	51%	0.513	37%	0.371	S	S	.	.			trans	-68.4	167	165.6	-65	-175.6	173.6	-161.5	-0.8	110.1	S63 R64 E65 D67	R61-S63 PolarHBondContact O-N 3.01Å; R61-S63 VanDerWaalsContact O-N 3.08Å; R61-R64 WeakPolarHBondContact O-CA 3.29Å; R61-R64 PolarHBondContact O-N 3.41Å; R61-E65 PolarHBondContact N-O 3.4Å; R61-D67 HydrophobicContact CG-CB 4.31Å; R61-D67 IonicContact CZ-OD2 2.75Å; R61-D67 VanDerWaalsContact CZ-OD2 3.23Å; R61-D67 IonicContact NE-OD2 3.54Å; R61-D67 PolarHBondContact NE-OD2 3.39Å; R61-D67 IonicContact NH2-OD2 2.84Å; R61-D67 PolarHBondContact NH2-OD2 3.18Å
62	S	93.5	Very high	95.2	Very high	139 Å²	139	74.6 Å²	74.6	97%	0.972	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.4	172.8	-52.4	0	0	0	0	112.8	R64	S62-R64 VanDerWaalsContact C-N 3.26Å; S62-R64 PolarHBondContact O-N 2.94Å
63	S	93.6	Very high	95.2	Very high	74 Å²	74	68.6 Å²	68.6	52%	0.517	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.6	174.4	55.5	0	0	0	0	114.8	R61 E65	R61-S63 PolarHBondContact O-N 3.01Å; R61-S63 VanDerWaalsContact O-N 3.08Å; S63-E65 PolarHBondContact O-N 3.48Å; S63-E65 WeakPolarHBondContact OG-CG 3.19Å; S63-E65 PolarHBondContact OG-OE2 3.42Å
64	R	91.2	Very high	95.2	Very high	141 Å²	141	66.2 Å²	66.2	53%	0.532	34%	0.342	S	S	.	.	S	Bend	trans	69	7.9	-169.8	-60.3	-73.4	-65.3	141.4	4.8	115.5	R61 S62 N91	R61-R64 WeakPolarHBondContact O-CA 3.29Å; R61-R64 PolarHBondContact O-N 3.41Å; S62-R64 VanDerWaalsContact C-N 3.26Å; S62-R64 PolarHBondContact O-N 2.94Å; R64-N91 PolarHBondContact NH2-ND2 3.02Å
65	E	95.6	Very high	95.3	Very high	117 Å²	117	73.3 Å²	73.3	55%	0.547	37%	0.365	S	S	.	.			trans	-67.7	139.1	167.7	-66.6	173.2	155.9	0	0	110.7	F60 R61 S63	F60-E65 CarbonylContact C-O 3.56Å; F60-E65 WeakPolarHBondContact CA-O 3.44Å; R61-E65 PolarHBondContact N-O 3.4Å; S63-E65 PolarHBondContact O-N 3.48Å; S63-E65 WeakPolarHBondContact OG-CG 3.19Å; S63-E65 PolarHBondContact OG-OE2 3.42Å
66	T	96.6	Very high	95.4	Very high	26 Å²	26	71.8 Å²	71.8	16%	0.16	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130.7	173.9	-55.3	0	0	0	0	110.4	V58 V68 E95 I98	V58-T66 HydrophobicContact CG1-CG2 4.08Å; T66-V68 HydrophobicContact CG2-CG2 4.42Å; T66-E95 HydrophobicContact CG2-CB 4.46Å; T66-E95 HydrophobicContact CG2-CG 3.7Å; T66-I98 HydrophobicContact CG2-CD1 3.83Å
67	D	97	Very high	95.4	Very high	42 Å²	42	74.6 Å²	74.6	23%	0.225	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.2	173.6	-153.1	-17.9	0	0	0	109.9	V58 F59 R61	V58-D67 WeakPolarHBondContact CA-O 3.33Å; F59-D67 HydrophobicContact CD2-CB 4.05Å; F59-D67 HydrophobicContact CE2-CB 3.65Å; F59-D67 HydrophobicContact CZ-CB 3.98Å; F59-D67 PolarHBondContact N-O 3.12Å; F59-D67 PolarHBondContact O-N 3.25Å; R61-D67 HydrophobicContact CG-CB 4.31Å; R61-D67 IonicContact CZ-OD2 2.75Å; R61-D67 VanDerWaalsContact CZ-OD2 3.23Å; R61-D67 IonicContact NE-OD2 3.54Å; R61-D67 PolarHBondContact NE-OD2 3.39Å; R61-D67 IonicContact NH2-OD2 2.84Å; R61-D67 PolarHBondContact NH2-OD2 3.18Å
68	V	97.3	Very high	95.4	Very high	21 Å²	21	73.5 Å²	73.5	13%	0.127	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	124.8	-173.9	174.9	0	0	0	0	109.4	S57 V58 T66 I70 I98 I99	S57-V68 WeakPolarHBondContact O-CA 3.47Å; V58-V68 HydrophobicContact CG1-CG2 4.11Å; V58-V68 HydrophobicContact CG2-CG2 4.2Å; T66-V68 HydrophobicContact CG2-CG2 4.42Å; V68-I70 HydrophobicContact CG1-CG1 4.26Å; V68-I98 HydrophobicContact CB-CG2 3.71Å; V68-I98 HydrophobicContact CG2-CB 3.91Å; V68-I98 HydrophobicContact CG2-CG2 3.45Å; V68-I98 VanDerWaalsContact CG2-CG2 3.45Å; V68-I99 HydrophobicContact CB-CG1 4.5Å; V68-I99 HydrophobicContact CG1-CB 4.45Å; V68-I99 HydrophobicContact CG1-CG1 3.7Å; V68-I99 HydrophobicContact CG2-CG1 3.94Å
69	E	97.1	Very high	95.5	Very high	94 Å²	94	72.7 Å²	72.7	44%	0.439	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	109.2	177	-168.7	-169.4	177.3	0	0	110.2	C56 S57 F59 K71	C56-E69 WeakPolarHBondContact CA-O 3.34Å; S57-E69 PolarHBondContact N-O 2.96Å; S57-E69 PolarHBondContact O-N 3.38Å; F59-E69 HydrophobicContact CE1-CB 4.35Å; E69-K71 HydrophobicContact CG-CG 4.01Å; E69-K71 WeakPolarHBondContact OE1-CE 3.32Å; E69-K71 WeakPolarHBondContact OE2-CE 3.3Å; E69-K71 IonicContact OE2-NZ 2.71Å; E69-K71 PolarHBondContact OE2-NZ 3.33Å
70	I	96.9	Very high	95.7	Very high	42 Å²	42	68.5 Å²	68.5	22%	0.215	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.6	172.3	-54.4	176.5	0	0	0	108.2	L33 V68 E72 V74 A102 C103	L33-I70 HydrophobicContact CD1-CD1 4.13Å; L33-I70 HydrophobicContact CD1-CG1 4.48Å; L33-I70 HydrophobicContact CD1-CG2 4.49Å; V68-I70 HydrophobicContact CG1-CG1 4.26Å; I70-E72 WeakPolarHBondContact CG2-O 3.26Å; I70-V74 HydrophobicContact CG2-CG1 4.05Å; I70-A102 HydrophobicContact CD1-CB 3.72Å; I70-C103 WeakPolarHBondContact CD1-SG 3.39Å
71	K	96.1	Very high	95.9	Very high	98 Å²	98	65.5 Å²	65.5	43%	0.426	33%	0.328	S	S	.	.			trans	-92.1	5.4	-170.9	-65.9	172.5	176.2	167.4	0	113.9	N55 S57 E69	N55-K71 HydrophobicContact CB-CB 3.96Å; N55-K71 WeakPolarHBondContact ND2-CB 3.11Å; N55-K71 PolarHBondContact O-N 2.96Å; N55-K71 WeakPolarHBondContact OD1-CD 3.26Å; S57-K71 PolarHBondContact OG-NZ 3.06Å; E69-K71 HydrophobicContact CG-CG 4.01Å; E69-K71 WeakPolarHBondContact OE1-CE 3.32Å; E69-K71 WeakPolarHBondContact OE2-CE 3.3Å; E69-K71 IonicContact OE2-NZ 2.71Å; E69-K71 PolarHBondContact OE2-NZ 3.33Å
72	E	93.7	Very high	96.2	Very high	66 Å²	66	59.1 Å²	59.1	31%	0.308	30%	0.304	S	S	.	.	S	Bend	trans	-137.1	157.4	178	63.4	-179.1	-135.6	0	0	111.9	V31 G54 N55 I70 V74	V31-E72 WeakPolarHBondContact CG1-OE1 3.47Å; G54-E72 VanDerWaalsContact CA-OE1 3.26Å; G54-E72 WeakPolarHBondContact CA-OE1 3.49Å; N55-E72 HydrophobicContact CB-CG 4.46Å; N55-E72 VanDerWaalsContact N-CD 3.32Å; N55-E72 PolarHBondContact N-OE2 3.41Å; I70-E72 WeakPolarHBondContact CG2-O 3.26Å; E72-V74 PolarHBondContact O-N 2.89Å
73	T	94.8	Very high	96.4	Very high	85 Å²	85	52.7 Å²	52.7	52%	0.521	26%	0.258	S	S	.	.			trans	-71.9	125.3	-179.9	-176	0	0	0	0	111.7	R75 R77	T73-R75 PolarHBondContact OG1-N 2.81Å; T73-R77 WeakPolarHBondContact O-CD 3.21Å; T73-R77 PolarHBondContact O-NE 3.05Å; T73-R77 PolarHBondContact O-NH1 3.02Å
74	V	96.4	Very high	96.6	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	23%	0.234	C	C	.	.			trans	-104.6	1.1	170.3	-62.3	0	0	0	0	112.5	V31 L33 I70 E72 G76 R77 V79 C103 A106 A108	V31-V74 HydrophobicContact CG1-CG1 4.3Å; L33-V74 HydrophobicContact CD1-CG1 4.4Å; I70-V74 HydrophobicContact CG2-CG1 4.05Å; E72-V74 PolarHBondContact O-N 2.89Å; V74-G76 PolarHBondContact O-N 3.42Å; V74-R77 WeakPolarHBondContact O-CB 3.4Å; V74-R77 PolarHBondContact O-N 3.26Å; V74-R77 VanDerWaalsContact O-N 3.09Å; V74-V79 HydrophobicContact CB-CG2 3.74Å; V74-V79 HydrophobicContact CG1-CG2 3.96Å; V74-C103 HydrophobicContact CG2-CB 4.42Å; V74-A106 HydrophobicContact CG2-CB 3.6Å; V74-A108 HydrophobicContact CG2-CB 4.49Å; V74-A108 WeakPolarHBondContact O-CA 3.31Å
75	R	96.4	Very high	96.6	Very high	160 Å²	160	42.5 Å²	42.5	60%	0.604	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	126.9	-177.2	180	177.7	-68	-83.2	-4.3	110.8	T73 R77 A106 C107	T73-R75 PolarHBondContact OG1-N 2.81Å; R75-R77 PolarHBondContact O-N 3.39Å; R75-A106 WeakPolarHBondContact CA-O 3.45Å; R75-A106 WeakPolarHBondContact CB-O 3.3Å; R75-C107 HydrophobicContact CG-CB 4.28Å; R75-C107 PolarHBondContact NH1-SG 3.05Å
76	G	95.8	Very high	96.5	Very high	38 Å²	38	38.4 Å²	38.4	39%	0.392	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	9.7	179.3	0	0	0	0	0	114.6	V74 C107 R109	V74-G76 PolarHBondContact O-N 3.42Å; G76-C107 PolarHBondContact N-O 3.45Å; G76-R109 PolarHBondContact O-NH1 2.8Å
77	R	95.8	Very high	96.1	Very high	84 Å²	84	43.4 Å²	43.4	32%	0.317	21%	0.212	S	C	.	.	S	Bend	trans	-99.8	156.8	-179.4	-66.1	-165.1	-176	-176.3	-0.7	112	G29 V31 T73 V74 R75 R109	G29-R77 WeakPolarHBondContact O-CA 3.44Å; G29-R77 WeakPolarHBondContact O-CB 3.49Å; G29-R77 WeakPolarHBondContact O-CG 3.5Å; V31-R77 HydrophobicContact CG2-CB 4.27Å; V31-R77 HydrophobicContact CG2-CG 4.46Å; T73-R77 WeakPolarHBondContact O-CD 3.21Å; T73-R77 PolarHBondContact O-NE 3.05Å; T73-R77 PolarHBondContact O-NH1 3.02Å; V74-R77 WeakPolarHBondContact O-CB 3.4Å; V74-R77 PolarHBondContact O-N 3.26Å; V74-R77 VanDerWaalsContact O-N 3.09Å; R75-R77 PolarHBondContact O-N 3.39Å; R77-R109 WeakPolarHBondContact O-CB 3.35Å; R77-R109 PolarHBondContact O-N 2.53Å
78	D	97.2	Very high	95.9	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.4	166.6	-70.3	-16.3	0	0	0	108.1	G29 M30 V31 Y80 R109 K110 Y363	G29-D78 PolarHBondContact O-N 3.05Å; M30-D78 CarbonylContact C-O 3.55Å; M30-D78 WeakPolarHBondContact CA-O 3.42Å; V31-D78 PolarHBondContact N-O 3.46Å; D78-Y80 HydrophobicContact CB-CE2 4.16Å; D78-R109 IonicContact OD1-CZ 3.1Å; D78-R109 VanDerWaalsContact OD1-CZ 3.24Å; D78-R109 IonicContact OD1-NE 3.97Å; D78-R109 PolarHBondContact OD1-NE 2.76Å; D78-R109 IonicContact OD1-NH2 2.73Å; D78-R109 PolarHBondContact OD1-NH2 2.87Å; D78-R109 VanDerWaalsContact OD1-NH2 3.1Å; D78-R109 IonicContact OD2-CZ 2.72Å; D78-R109 IonicContact OD2-NE 2.64Å; D78-R109 IonicContact OD2-NH2 3.53Å; D78-R109 PolarHBondContact OD2-NH2 2.81Å; D78-K110 WeakPolarHBondContact OD1-CB 3.44Å; D78-Y363 HydrophobicContact CB-CD2 4.35Å
79	V	98.3	Very high	95.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.9	-177.7	-175.7	0	0	0	0	108.9	V31 L33 V74 I81 C103 A108 K110 I112	V31-V79 CarbonylContact O-C 3.49Å; V31-V79 WeakPolarHBondContact O-CA 3.19Å; L33-V79 HydrophobicContact CD1-CG1 3.71Å; L33-V79 HydrophobicContact CG-CG1 3.96Å; V74-V79 HydrophobicContact CB-CG2 3.74Å; V74-V79 HydrophobicContact CG1-CG2 3.96Å; V79-I81 HydrophobicContact CG1-CG1 3.99Å; V79-C103 HydrophobicContact CG1-CB 4.49Å; V79-C103 HydrophobicContact CG2-CB 4.39Å; V79-A108 HydrophobicContact CG2-CB 3.74Å; V79-K110 PolarHBondContact N-O 3.37Å; V79-I112 PolarHBondContact O-N 2.85Å
80	Y	98.7	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.9	170.4	-64.5	-97.4	0	0	0	108.3	M30 V31 I32 L33 D78 I112 V114 I359 I362 Y363	M30-Y80 HydrophobicContact CG-CD2 3.59Å; M30-Y80 HydrophobicContact CG-CE2 3.66Å; M30-Y80 HydrophobicContact SD-CD2 3.8Å; M30-Y80 HydrophobicContact SD-CE2 3.66Å; V31-Y80 PolarHBondContact O-N 3.05Å; I32-Y80 CarbonylContact C-O 3.58Å; I32-Y80 WeakPolarHBondContact CA-O 3.4Å; L33-Y80 PolarHBondContact N-O 3.41Å; D78-Y80 HydrophobicContact CB-CE2 4.16Å; Y80-I112 CarbonylContact C-O 3.51Å; Y80-I112 VanDerWaalsContact CA-O 3.27Å; Y80-I112 WeakPolarHBondContact CA-O 2.95Å; Y80-I112 HydrophobicContact CD1-CB 3.72Å; Y80-I112 HydrophobicContact CD1-CD1 4.04Å; Y80-I112 HydrophobicContact CD1-CG1 4.46Å; Y80-I112 HydrophobicContact CD1-CG2 3.68Å; Y80-I112 HydrophobicContact CE1-CB 3.89Å; Y80-I112 HydrophobicContact CE1-CD1 3.34Å; Y80-I112 HydrophobicContact CE1-CG1 4.19Å; Y80-I112 HydrophobicContact CE1-CG2 3.77Å; Y80-I112 HydrophobicContact CE2-CD1 4.14Å; Y80-I112 HydrophobicContact CG-CB 4.35Å; Y80-I112 WeakPolarHBondContact OH-CD1 3.29Å; Y80-V114 HydrophobicContact CD1-CG2 4.13Å; Y80-I359 HydrophobicContact CD1-CB 4.25Å; Y80-I359 HydrophobicContact CD1-CD1 4.43Å; Y80-I359 HydrophobicContact CD1-CG1 3.77Å; Y80-I359 HydrophobicContact CD1-CG2 3.83Å; Y80-I359 HydrophobicContact CD2-CG2 4.09Å; Y80-I359 HydrophobicContact CE1-CB 4.18Å; Y80-I359 HydrophobicContact CE1-CG1 4.11Å; Y80-I359 HydrophobicContact CE1-CG2 3.78Å; Y80-I359 HydrophobicContact CE2-CG2 4.06Å; Y80-I359 HydrophobicContact CG-CG1 4.41Å; Y80-I359 HydrophobicContact CG-CG2 3.98Å; Y80-I359 PolarHBondContact OH-O 3.47Å; Y80-I362 HydrophobicContact CE1-CG2 4.45Å; Y80-Y363 HydrophobicContact CE2-CD2 4.43Å; Y80-Y363 WeakPolarHBondContact OH-CA 3.45Å; Y80-Y363 WeakPolarHBondContact OH-CB 3.38Å; Y80-Y363 PolarHBondContact OH-N 2.85Å; Y80-Y363 VanDerWaalsContact OH-N 3.17Å
81	I	98.7	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109	178.7	-53.7	165.2	0	0	0	107.6	L33 V79 L96 I99 A100 V111 I112 V114	L33-I81 WeakPolarHBondContact O-CA 3.35Å; V79-I81 HydrophobicContact CG1-CG1 3.99Å; I81-L96 HydrophobicContact CB-CD1 3.99Å; I81-L96 HydrophobicContact CD1-CD1 4.46Å; I81-L96 HydrophobicContact CG2-CD1 3.57Å; I81-I99 HydrophobicContact CD1-CB 4.18Å; I81-I99 HydrophobicContact CD1-CG2 3.62Å; I81-I99 HydrophobicContact CG1-CG2 3.86Å; I81-I99 HydrophobicContact CG2-CB 4.34Å; I81-I99 HydrophobicContact CG2-CD1 4.18Å; I81-I99 HydrophobicContact CG2-CG2 3.96Å; I81-A100 HydrophobicContact CD1-CB 3.87Å; I81-V111 HydrophobicContact CD1-CG1 3.6Å; I81-V111 HydrophobicContact CG1-CG1 4.46Å; I81-I112 PolarHBondContact N-O 2.75Å; I81-V114 PolarHBondContact O-N 2.95Å
82	I	98.7	Very high	95.9	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.9	176.9	-56.1	175.6	0	0	0	108.3	I32 L33 A34 G35 V42 V45 V114 I359	I32-I82 HydrophobicContact CG2-CD1 3.58Å; I32-I82 HydrophobicContact CG2-CG1 4.01Å; L33-I82 PolarHBondContact O-N 2.79Å; A34-I82 WeakPolarHBondContact CA-O 3.45Å; G35-I82 PolarHBondContact N-O 2.86Å; V42-I82 HydrophobicContact CG1-CD1 4.47Å; V42-I82 HydrophobicContact CG2-CB 4Å; V42-I82 HydrophobicContact CG2-CG2 3.88Å; V45-I82 HydrophobicContact CB-CD1 4Å; V45-I82 HydrophobicContact CG1-CD1 3.78Å; V45-I82 HydrophobicContact CG2-CD1 4.38Å; I82-V114 WeakPolarHBondContact CA-O 3.4Å; I82-V114 HydrophobicContact CG1-CB 4.03Å; I82-V114 HydrophobicContact CG1-CG1 4.39Å; I82-V114 HydrophobicContact CG1-CG2 4.43Å; I82-I359 HydrophobicContact CD1-CD1 4.46Å
83	Q	98.1	Very high	96.1	Very high	3 Å²	3	38 Å²	38	1%	0.014	19%	0.193	C	C	.	.			trans	-149.3	130.5	175.8	-175.7	79.8	-37.5	0	0	109.4	S37 D92 E95 L96 V114 V115	S37-Q83 WeakPolarHBondContact OG-CA 3.28Å; S37-Q83 PolarHBondContact OG-OE1 2.92Å; Q83-D92 HydrophobicContact CG-CB 4.42Å; Q83-D92 PolarHBondContact NE2-O 2.53Å; Q83-E95 PolarHBondContact NE2-OE2 2.82Å; Q83-L96 HydrophobicContact CB-CB 4.3Å; Q83-L96 HydrophobicContact CB-CD1 4.25Å; Q83-L96 HydrophobicContact CB-CD2 4.42Å; Q83-L96 HydrophobicContact CG-CB 4.15Å; Q83-V114 PolarHBondContact N-O 3Å; Q83-V115 WeakPolarHBondContact O-CA 3.19Å; Q83-V115 WeakPolarHBondContact O-CG1 3.33Å
84	S	97.6	Very high	96.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	19%	0.189	C	C	.	.			trans	-114	164.2	176.2	-155.7	0	0	0	0	112	S37 Y117 T333	S37-S84 WeakPolarHBondContact CB-O 3.39Å; S37-S84 PolarHBondContact OG-N 3.46Å; S84-Y117 WeakPolarHBondContact OG-CB 3.5Å; S84-Y117 PolarHBondContact OG-N 3.34Å; S84-Y117 VanDerWaalsContact OG-N 3.14Å; S84-T333 WeakPolarHBondContact CB-O 3.47Å; S84-T333 PolarHBondContact OG-O 3.22Å
85	G	92.1	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.			trans	-80.7	114.8	173.1	0	0	0	0	0	112.6	Y117 V334	G85-Y117 PolarHBondContact N-O 2.9Å; G85-Y117 VanDerWaalsContact N-O 3.12Å; G85-Y117 VanDerWaalsContact O-CD1 3.28Å; G85-Y117 WeakPolarHBondContact O-CD1 3.38Å; G85-V334 WeakPolarHBondContact O-CG1 3.47Å
86	T	93.5	Very high	96.5	Very high	31 Å²	31	30.9 Å²	30.9	19%	0.19	16%	0.162	C	C	.	.			trans	-105.2	-164.6	177	76.9	0	0	0	0	111.3	S37 D88 V89 D92 P335	S37-T86 WeakPolarHBondContact O-CG2 3.42Å; T86-D88 PolarHBondContact O-N 2.8Å; T86-D88 PolarHBondContact OG1-N 2.89Å; T86-V89 PolarHBondContact O-N 2.69Å; T86-D92 WeakPolarHBondContact CA-OD2 3.48Å; T86-D92 VanDerWaalsContact CB-OD2 3.29Å; T86-D92 WeakPolarHBondContact CB-OD2 3.16Å; T86-D92 PolarHBondContact N-OD2 3.14Å; T86-D92 PolarHBondContact OG1-OD2 3.4Å; T86-P335 HydrophobicContact CG2-CG 4.14Å
87	K	88.7	Confident	96.6	Very high	131 Å²	131	30.2 Å²	30.2	57%	0.57	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.3	169.9	-64.7	-176.1	177.3	-176.6	0	112.3	V89 L312	K87-V89 VanDerWaalsContact C-N 3.31Å; K87-V89 PolarHBondContact O-N 3.46Å; K87-L312 PolarHBondContact NZ-O 3.11Å
88	D	92.6	Very high	96.8	Very high	71 Å²	71	28.7 Å²	28.7	38%	0.38	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	46.6	176.2	-160.3	6.8	0	0	0	112.3	T86 N90 N91 D92	T86-D88 PolarHBondContact O-N 2.8Å; T86-D88 PolarHBondContact OG1-N 2.89Å; D88-N90 PolarHBondContact O-N 3.08Å; D88-N91 PolarHBondContact O-N 3.45Å; D88-N91 PolarHBondContact OD1-ND2 3.41Å; D88-N91 WeakPolarHBondContact OD2-CB 3.47Å; D88-N91 PolarHBondContact OD2-ND2 3.36Å; D88-D92 PolarHBondContact O-N 3.24Å
89	V	94.9	Very high	96.8	Very high	39 Å²	39	28.3 Å²	28.3	24%	0.236	15%	0.145	C	C	.	.	H	α-helix	trans	-51.1	-37	-166.3	67.8	0	0	0	0	114.9	T86 K87 I93 P119 Y120	T86-V89 PolarHBondContact O-N 2.69Å; K87-V89 VanDerWaalsContact C-N 3.31Å; K87-V89 PolarHBondContact O-N 3.46Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.34Å; V89-I93 PolarHBondContact O-N 2.68Å; V89-P119 HydrophobicContact CG2-CB 3.5Å; V89-P119 VanDerWaalsContact CG2-CB 3.5Å; V89-P119 HydrophobicContact CG2-CG 3.85Å; V89-Y120 HydrophobicContact CG2-CD2 4.46Å; V89-Y120 HydrophobicContact CG2-CE2 4.03Å
90	N	97.2	Very high	96.8	Very high	88 Å²	88	28.3 Å²	28.3	47%	0.471	15%	0.145	S	C	.	.	H	α-helix	trans	-75.3	-39	-177.7	-72	-26.2	0	0	0	111.7	D88 I93 M94 Y120	D88-N90 PolarHBondContact O-N 3.08Å; N90-I93 PolarHBondContact O-N 2.89Å; N90-M94 WeakPolarHBondContact O-CG 3.41Å; N90-M94 PolarHBondContact O-N 3.43Å; N90-Y120 PolarHBondContact OD1-OH 3.37Å
91	N	96.6	Very high	96.8	Very high	30 Å²	30	35.3 Å²	35.3	16%	0.16	17%	0.172	C	C	.	.	H	α-helix	trans	-68.7	-40.4	174.8	-67.4	-25.9	0	0	0	109.7	F60 R64 D88 I93 M94 E95	F60-N91 HydrophobicContact CE1-CB 4.12Å; F60-N91 HydrophobicContact CZ-CB 3.96Å; R64-N91 PolarHBondContact NH2-ND2 3.02Å; D88-N91 PolarHBondContact O-N 3.45Å; D88-N91 PolarHBondContact OD1-ND2 3.41Å; D88-N91 WeakPolarHBondContact OD2-CB 3.47Å; D88-N91 PolarHBondContact OD2-ND2 3.36Å; N91-I93 VanDerWaalsContact C-N 3.26Å; N91-I93 PolarHBondContact O-N 3.05Å; N91-M94 PolarHBondContact O-N 2.87Å; N91-E95 WeakPolarHBondContact O-CB 3.39Å; N91-E95 VanDerWaalsContact O-CG 3.27Å; N91-E95 WeakPolarHBondContact O-CG 3.49Å; N91-E95 PolarHBondContact O-N 3.16Å
92	D	97.7	Very high	96.8	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-55.2	-42.6	176.1	-66.5	-40.2	0	0	0	112.2	Q83 T86 D88 L96	Q83-D92 HydrophobicContact CG-CB 4.42Å; Q83-D92 PolarHBondContact NE2-O 2.53Å; T86-D92 WeakPolarHBondContact CA-OD2 3.48Å; T86-D92 VanDerWaalsContact CB-OD2 3.29Å; T86-D92 WeakPolarHBondContact CB-OD2 3.16Å; T86-D92 PolarHBondContact N-OD2 3.14Å; T86-D92 PolarHBondContact OG1-OD2 3.4Å; D88-D92 PolarHBondContact O-N 3.24Å; D92-L96 PolarHBondContact O-N 3.46Å; D92-L96 VanDerWaalsContact O-N 3.12Å
93	I	98.5	Very high	96.8	Very high	14 Å²	14	36.7 Å²	36.7	7%	0.072	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-47.6	175.1	-68.3	168.5	0	0	0	111	V89 N90 N91 E95 L96 L97 P119 Y120 V137	V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.34Å; V89-I93 PolarHBondContact O-N 2.68Å; N90-I93 PolarHBondContact O-N 2.89Å; N91-I93 VanDerWaalsContact C-N 3.26Å; N91-I93 PolarHBondContact O-N 3.05Å; I93-E95 VanDerWaalsContact C-N 3.35Å; I93-E95 PolarHBondContact O-N 3.26Å; I93-L96 PolarHBondContact O-N 3.08Å; I93-L97 HydrophobicContact CG2-CD1 3.75Å; I93-L97 HydrophobicContact CG2-CG 4.16Å; I93-L97 VanDerWaalsContact O-CG 3.25Å; I93-L97 WeakPolarHBondContact O-CG 3.19Å; I93-L97 PolarHBondContact O-N 2.85Å; I93-P119 HydrophobicContact CD1-CB 3.72Å; I93-P119 HydrophobicContact CD1-CG 4.19Å; I93-P119 HydrophobicContact CG1-CB 4.08Å; I93-P119 HydrophobicContact CG1-CG 3.98Å; I93-Y120 HydrophobicContact CD1-CD2 3.62Å; I93-Y120 HydrophobicContact CD1-CE2 3.39Å; I93-V137 HydrophobicContact CD1-CG1 4.44Å; I93-V137 HydrophobicContact CD1-CG2 4.3Å
94	M	98.3	Very high	96.8	Very high	88 Å²	88	42.5 Å²	42.5	43%	0.433	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-42.9	-179.5	-72.7	-56.2	-59.8	0	0	111.8	N90 N91 L96 L97 I98	N90-M94 WeakPolarHBondContact O-CG 3.41Å; N90-M94 PolarHBondContact O-N 3.43Å; N91-M94 PolarHBondContact O-N 2.87Å; M94-L96 PolarHBondContact O-N 3.4Å; M94-L97 PolarHBondContact O-N 3.25Å; M94-L97 HydrophobicContact SD-CD1 4.18Å; M94-I98 HydrophobicContact CE-CD1 4.43Å; M94-I98 WeakPolarHBondContact O-CB 3.41Å; M94-I98 WeakPolarHBondContact O-CD1 3.41Å; M94-I98 WeakPolarHBondContact O-CG1 3.38Å; M94-I98 PolarHBondContact O-N 2.89Å
95	E	98.4	Very high	96.8	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.019	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-50.7	172.9	-69.1	-174.4	176.9	0	0	111	G35 N36 V58 T66 Q83 N91 I93 L97 I98 I99	G35-E95 WeakPolarHBondContact CA-OE2 3.06Å; N36-E95 PolarHBondContact N-OE2 2.8Å; N36-E95 PolarHBondContact ND2-OE1 3.46Å; V58-E95 HydrophobicContact CG1-CB 4.11Å; V58-E95 VanDerWaalsContact CG1-CD 3.44Å; V58-E95 HydrophobicContact CG1-CG 3.47Å; V58-E95 VanDerWaalsContact CG1-CG 3.47Å; T66-E95 HydrophobicContact CG2-CB 4.46Å; T66-E95 HydrophobicContact CG2-CG 3.7Å; Q83-E95 PolarHBondContact NE2-OE2 2.82Å; N91-E95 WeakPolarHBondContact O-CB 3.39Å; N91-E95 VanDerWaalsContact O-CG 3.27Å; N91-E95 WeakPolarHBondContact O-CG 3.49Å; N91-E95 PolarHBondContact O-N 3.16Å; I93-E95 VanDerWaalsContact C-N 3.35Å; I93-E95 PolarHBondContact O-N 3.26Å; E95-L97 PolarHBondContact O-N 3.26Å; E95-I98 PolarHBondContact O-N 2.9Å; E95-I99 WeakPolarHBondContact O-CD1 3.31Å; E95-I99 WeakPolarHBondContact O-CG1 3.34Å; E95-I99 PolarHBondContact O-N 2.77Å
96	L	98.7	Very high	97.1	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-45	179.2	178.8	56.2	0	0	0	112.3	I81 Q83 D92 I93 M94 A100 A113 V115 L141 I146	I81-L96 HydrophobicContact CB-CD1 3.99Å; I81-L96 HydrophobicContact CD1-CD1 4.46Å; I81-L96 HydrophobicContact CG2-CD1 3.57Å; Q83-L96 HydrophobicContact CB-CB 4.3Å; Q83-L96 HydrophobicContact CB-CD1 4.25Å; Q83-L96 HydrophobicContact CB-CD2 4.42Å; Q83-L96 HydrophobicContact CG-CB 4.15Å; D92-L96 PolarHBondContact O-N 3.46Å; D92-L96 VanDerWaalsContact O-N 3.12Å; I93-L96 PolarHBondContact O-N 3.08Å; M94-L96 PolarHBondContact O-N 3.4Å; L96-A100 VanDerWaalsContact O-CB 3.22Å; L96-A100 WeakPolarHBondContact O-CB 3.22Å; L96-A100 PolarHBondContact O-N 2.79Å; L96-A113 HydrophobicContact CD1-CB 4.17Å; L96-A113 HydrophobicContact CD2-CB 4.49Å; L96-V115 HydrophobicContact CD2-CG2 3.66Å; L96-L141 HydrophobicContact CD2-CD2 3.53Å; L96-L141 HydrophobicContact CG-CD2 3.91Å; L96-I146 HydrophobicContact CG-CD1 4.47Å
97	L	98.8	Very high	97.2	Very high	24 Å²	24	49 Å²	49	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-45	178.7	-69.2	172.5	0	0	0	111.4	I93 M94 E95 Y101 M140 L141	I93-L97 HydrophobicContact CG2-CD1 3.75Å; I93-L97 HydrophobicContact CG2-CG 4.16Å; I93-L97 VanDerWaalsContact O-CG 3.25Å; I93-L97 WeakPolarHBondContact O-CG 3.19Å; I93-L97 PolarHBondContact O-N 2.85Å; M94-L97 PolarHBondContact O-N 3.25Å; M94-L97 HydrophobicContact SD-CD1 4.18Å; E95-L97 PolarHBondContact O-N 3.26Å; L97-Y101 VanDerWaalsContact O-CB 3.32Å; L97-Y101 WeakPolarHBondContact O-CB 3.45Å; L97-Y101 PolarHBondContact O-N 2.85Å; L97-M140 HydrophobicContact CD1-CB 4.21Å; L97-M140 VanDerWaalsContact CD2-C 3.43Å; L97-M140 HydrophobicContact CD2-CB 3.97Å; L97-M140 VanDerWaalsContact CD2-O 3.25Å; L97-M140 WeakPolarHBondContact CD2-O 3.36Å; L97-L141 HydrophobicContact CD2-CD2 3.91Å; L97-L141 HydrophobicContact CD2-CG 4.47Å
98	I	98.7	Very high	97.7	Very high	53 Å²	53	43.2 Å²	43.2	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-69.8	-45	-178.2	-63.8	164.3	0	0	0	110.6	T66 V68 M94 E95 A100 Y101 A102	T66-I98 HydrophobicContact CG2-CD1 3.83Å; V68-I98 HydrophobicContact CB-CG2 3.71Å; V68-I98 HydrophobicContact CG2-CB 3.91Å; V68-I98 HydrophobicContact CG2-CG2 3.45Å; V68-I98 VanDerWaalsContact CG2-CG2 3.45Å; M94-I98 HydrophobicContact CE-CD1 4.43Å; M94-I98 WeakPolarHBondContact O-CB 3.41Å; M94-I98 WeakPolarHBondContact O-CD1 3.41Å; M94-I98 WeakPolarHBondContact O-CG1 3.38Å; M94-I98 PolarHBondContact O-N 2.89Å; E95-I98 PolarHBondContact O-N 2.9Å; I98-A100 VanDerWaalsContact C-N 3.35Å; I98-A100 PolarHBondContact O-N 2.8Å; I98-Y101 PolarHBondContact O-N 2.74Å; I98-A102 WeakPolarHBondContact O-CB 3.07Å; I98-A102 PolarHBondContact O-N 2.96Å
99	I	98.7	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-47.4	176.5	-60.7	160.6	0	0	0	109.9	L33 V58 V68 I81 E95 Y101 A102 C103	L33-I99 HydrophobicContact CB-CG2 4.39Å; L33-I99 HydrophobicContact CD1-CG2 3.99Å; V58-I99 HydrophobicContact CG2-CD1 3.95Å; V58-I99 HydrophobicContact CG2-CG1 4.29Å; V68-I99 HydrophobicContact CB-CG1 4.5Å; V68-I99 HydrophobicContact CG1-CB 4.45Å; V68-I99 HydrophobicContact CG1-CG1 3.7Å; V68-I99 HydrophobicContact CG2-CG1 3.94Å; I81-I99 HydrophobicContact CD1-CB 4.18Å; I81-I99 HydrophobicContact CD1-CG2 3.62Å; I81-I99 HydrophobicContact CG1-CG2 3.86Å; I81-I99 HydrophobicContact CG2-CB 4.34Å; I81-I99 HydrophobicContact CG2-CD1 4.18Å; I81-I99 HydrophobicContact CG2-CG2 3.96Å; E95-I99 WeakPolarHBondContact O-CD1 3.31Å; E95-I99 WeakPolarHBondContact O-CG1 3.34Å; E95-I99 PolarHBondContact O-N 2.77Å; I99-Y101 PolarHBondContact O-N 3.39Å; I99-A102 PolarHBondContact O-N 3.06Å; I99-C103 PolarHBondContact O-N 3.23Å; I99-C103 PolarHBondContact O-SG 3.12Å
100	A	98.8	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-44.6	179.8	0	0	0	0	0	112.2	I81 L96 I98 C103 R104 V111 S144 I146	I81-A100 HydrophobicContact CD1-CB 3.87Å; L96-A100 VanDerWaalsContact O-CB 3.22Å; L96-A100 WeakPolarHBondContact O-CB 3.22Å; L96-A100 PolarHBondContact O-N 2.79Å; I98-A100 VanDerWaalsContact C-N 3.35Å; I98-A100 PolarHBondContact O-N 2.8Å; A100-C103 PolarHBondContact O-N 3.39Å; A100-R104 WeakPolarHBondContact O-CB 3.45Å; A100-R104 PolarHBondContact O-N 3.45Å; A100-V111 HydrophobicContact CB-CG1 4.05Å; A100-S144 CarbonylContact C-O 3.52Å; A100-S144 WeakPolarHBondContact CB-OG 3.26Å; A100-I146 HydrophobicContact CB-CD1 4.26Å; A100-I146 HydrophobicContact CB-CG1 3.78Å
101	Y	98.7	Very high	98	Very high	148 Å²	148	42 Å²	42	58%	0.58	21%	0.212	S	C	*	.	H	α-helix	trans	-65.2	-40	177.7	-173.2	-103.3	0	0	0	112.3	L97 I98 I99 R104 S105 S144	L97-Y101 VanDerWaalsContact O-CB 3.32Å; L97-Y101 WeakPolarHBondContact O-CB 3.45Å; L97-Y101 PolarHBondContact O-N 2.85Å; I98-Y101 PolarHBondContact O-N 2.74Å; I99-Y101 PolarHBondContact O-N 3.39Å; Y101-R104 PolarHBondContact O-N 2.89Å; Y101-S105 VanDerWaalsContact O-CB 3.27Å; Y101-S105 WeakPolarHBondContact O-CB 3.44Å; Y101-S105 PolarHBondContact O-N 2.87Å; Y101-S105 PolarHBondContact O-OG 3.5Å; Y101-S144 WeakPolarHBondContact CA-O 3.39Å; Y101-S144 PolarHBondContact N-O 2.92Å
102	A	98.6	Very high	98.1	Very high	32 Å²	32	40.7 Å²	40.7	26%	0.264	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-45.9	174.6	0	0	0	0	0	111.5	I70 I98 I99 S105 A106	I70-A102 HydrophobicContact CD1-CB 3.72Å; I98-A102 WeakPolarHBondContact O-CB 3.07Å; I98-A102 PolarHBondContact O-N 2.96Å; I99-A102 PolarHBondContact O-N 3.06Å; A102-S105 PolarHBondContact O-N 2.66Å; A102-A106 VanDerWaalsContact O-CB 3.29Å; A102-A106 WeakPolarHBondContact O-CB 3.32Å; A102-A106 PolarHBondContact O-N 3.24Å
103	C	98.5	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-43.8	176.1	-65.2	0	0	0	0	112.5	L33 I70 V74 V79 I99 A100 A106 C107 A108 V111	L33-C103 WeakPolarHBondContact CD1-SG 3.44Å; I70-C103 WeakPolarHBondContact CD1-SG 3.39Å; V74-C103 HydrophobicContact CG2-CB 4.42Å; V79-C103 HydrophobicContact CG1-CB 4.49Å; V79-C103 HydrophobicContact CG2-CB 4.39Å; I99-C103 PolarHBondContact O-N 3.23Å; I99-C103 PolarHBondContact O-SG 3.12Å; A100-C103 PolarHBondContact O-N 3.39Å; C103-A106 PolarHBondContact O-N 3.07Å; C103-C107 PolarHBondContact O-N 2.97Å; C103-A108 HydrophobicContact CB-CB 4.2Å; C103-A108 WeakPolarHBondContact O-CB 3.42Å; C103-A108 PolarHBondContact O-N 2.99Å; C103-V111 HydrophobicContact CB-CG1 4.46Å; C103-V111 HydrophobicContact CB-CG2 3.79Å
104	R	98	Very high	98.2	Very high	125 Å²	125	39.7 Å²	39.7	47%	0.472	20%	0.2	S	C	.	.	H	α-helix	trans	-61.3	-45.8	177.2	179.6	62.3	179.9	-160.2	0.5	111.2	A100 Y101 A106 C107 N147	A100-R104 WeakPolarHBondContact O-CB 3.45Å; A100-R104 PolarHBondContact O-N 3.45Å; Y101-R104 PolarHBondContact O-N 2.89Å; R104-A106 VanDerWaalsContact C-N 3.29Å; R104-A106 PolarHBondContact O-N 3.19Å; R104-C107 PolarHBondContact O-N 3.49Å; R104-N147 PolarHBondContact NH1-ND2 2.91Å
105	S	97.3	Very high	98.2	Very high	68 Å²	68	35.6 Å²	35.6	48%	0.476	18%	0.18	S	C	.	.	H	α-helix	trans	-67.3	-30.9	179.5	-57.8	0	0	0	0	112.2	Y101 A102 C107	Y101-S105 VanDerWaalsContact O-CB 3.27Å; Y101-S105 WeakPolarHBondContact O-CB 3.44Å; Y101-S105 PolarHBondContact O-N 2.87Å; Y101-S105 PolarHBondContact O-OG 3.5Å; A102-S105 PolarHBondContact O-N 2.66Å; S105-C107 PolarHBondContact O-N 3.07Å
106	A	97.7	Very high	98.2	Very high	37 Å²	37	35.4 Å²	35.4	31%	0.306	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	10.1	172.1	0	0	0	0	0	114	V74 R75 A102 C103 R104 A108	V74-A106 HydrophobicContact CG2-CB 3.6Å; R75-A106 WeakPolarHBondContact CA-O 3.45Å; R75-A106 WeakPolarHBondContact CB-O 3.3Å; A102-A106 VanDerWaalsContact O-CB 3.29Å; A102-A106 WeakPolarHBondContact O-CB 3.32Å; A102-A106 PolarHBondContact O-N 3.24Å; C103-A106 PolarHBondContact O-N 3.07Å; R104-A106 VanDerWaalsContact C-N 3.29Å; R104-A106 PolarHBondContact O-N 3.19Å; A106-A108 PolarHBondContact O-N 3.46Å
107	C	96.7	Very high	98.2	Very high	64 Å²	64	35.9 Å²	35.9	43%	0.432	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	40.1	-179.9	-49.3	0	0	0	0	113.5	R75 G76 C103 R104 S105	R75-C107 HydrophobicContact CG-CB 4.28Å; R75-C107 PolarHBondContact NH1-SG 3.05Å; G76-C107 PolarHBondContact N-O 3.45Å; C103-C107 PolarHBondContact O-N 2.97Å; R104-C107 PolarHBondContact O-N 3.49Å; S105-C107 PolarHBondContact O-N 3.07Å
108	A	97.9	Very high	98.2	Very high	9 Å²	9	34.9 Å²	34.9	7%	0.074	18%	0.175	C	C	.	.			trans	-54.3	143.4	162.6	0	0	0	0	0	110.3	V74 V79 C103 A106 V111	V74-A108 HydrophobicContact CG2-CB 4.49Å; V74-A108 WeakPolarHBondContact O-CA 3.31Å; V79-A108 HydrophobicContact CG2-CB 3.74Å; C103-A108 HydrophobicContact CB-CB 4.2Å; C103-A108 WeakPolarHBondContact O-CB 3.42Å; C103-A108 PolarHBondContact O-N 2.99Å; A106-A108 PolarHBondContact O-N 3.46Å; A108-V111 HydrophobicContact CB-CG2 3.9Å
109	R	96.4	Very high	98.2	Very high	93 Å²	93	32.7 Å²	32.7	35%	0.351	17%	0.165	S	C	.	.	S	Bend	trans	-70.8	-46.8	-177.9	178.7	177.3	63.6	-130.3	6.4	111	K28 G76 R77 D78	K28-R109 PolarHBondContact O-NH2 3.29Å; G76-R109 PolarHBondContact O-NH1 2.8Å; R77-R109 WeakPolarHBondContact O-CB 3.35Å; R77-R109 PolarHBondContact O-N 2.53Å; D78-R109 IonicContact OD1-CZ 3.1Å; D78-R109 VanDerWaalsContact OD1-CZ 3.24Å; D78-R109 IonicContact OD1-NE 3.97Å; D78-R109 PolarHBondContact OD1-NE 2.76Å; D78-R109 IonicContact OD1-NH2 2.73Å; D78-R109 PolarHBondContact OD1-NH2 2.87Å; D78-R109 VanDerWaalsContact OD1-NH2 3.1Å; D78-R109 IonicContact OD2-CZ 2.72Å; D78-R109 IonicContact OD2-NE 2.64Å; D78-R109 IonicContact OD2-NH2 3.53Å; D78-R109 PolarHBondContact OD2-NH2 2.81Å
110	K	97.1	Very high	98.1	Very high	81 Å²	81	35.1 Å²	35.1	35%	0.352	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.6	170.8	-66.2	178.8	179.8	174.6	0	108.7	D78 V79 I112 N147 D365	D78-K110 WeakPolarHBondContact OD1-CB 3.44Å; V79-K110 PolarHBondContact N-O 3.37Å; K110-I112 HydrophobicContact CB-CD1 4.45Å; K110-I112 HydrophobicContact CB-CG1 4.36Å; K110-N147 WeakPolarHBondContact CA-OD1 3.41Å; K110-D365 IonicContact NZ-OD1 3.81Å
111	V	98.6	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.4	169.8	-176.5	0	0	0	0	107.9	I81 A100 C103 A108 I146 N147	I81-V111 HydrophobicContact CD1-CG1 3.6Å; I81-V111 HydrophobicContact CG1-CG1 4.46Å; A100-V111 HydrophobicContact CB-CG1 4.05Å; C103-V111 HydrophobicContact CB-CG1 4.46Å; C103-V111 HydrophobicContact CB-CG2 3.79Å; A108-V111 HydrophobicContact CB-CG2 3.9Å; V111-I146 HydrophobicContact CG1-CG1 4.47Å; V111-N147 PolarHBondContact N-OD1 3.22Å; V111-N147 PolarHBondContact O-N 3.07Å
112	I	98.7	Very high	97.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.4	-174.9	-57.4	168.7	0	0	0	107.3	V79 Y80 I81 K110 H148 I150 I362	V79-I112 PolarHBondContact O-N 2.85Å; Y80-I112 CarbonylContact C-O 3.51Å; Y80-I112 VanDerWaalsContact CA-O 3.27Å; Y80-I112 WeakPolarHBondContact CA-O 2.95Å; Y80-I112 HydrophobicContact CD1-CB 3.72Å; Y80-I112 HydrophobicContact CD1-CD1 4.04Å; Y80-I112 HydrophobicContact CD1-CG1 4.46Å; Y80-I112 HydrophobicContact CD1-CG2 3.68Å; Y80-I112 HydrophobicContact CE1-CB 3.89Å; Y80-I112 HydrophobicContact CE1-CD1 3.34Å; Y80-I112 HydrophobicContact CE1-CG1 4.19Å; Y80-I112 HydrophobicContact CE1-CG2 3.77Å; Y80-I112 HydrophobicContact CE2-CD1 4.14Å; Y80-I112 HydrophobicContact CG-CB 4.35Å; Y80-I112 WeakPolarHBondContact OH-CD1 3.29Å; I81-I112 PolarHBondContact N-O 2.75Å; K110-I112 HydrophobicContact CB-CD1 4.45Å; K110-I112 HydrophobicContact CB-CG1 4.36Å; I112-H148 CarbonylContact C-O 3.6Å; I112-H148 VanDerWaalsContact CA-O 3.32Å; I112-H148 WeakPolarHBondContact CA-O 3.39Å; I112-H148 HydrophobicContact CB-CB 4.49Å; I112-H148 HydrophobicContact CG1-CB 4.03Å; I112-H148 HydrophobicContact CG2-CB 4.14Å; I112-I150 HydrophobicContact CG2-CD1 4.23Å; I112-I150 HydrophobicContact CG2-CG1 4.15Å; I112-I362 HydrophobicContact CD1-CG2 3.77Å
113	A	98.8	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.4	176	0	0	0	0	0	109.1	L96 V115 I146 H148 L149 I150	L96-A113 HydrophobicContact CD1-CB 4.17Å; L96-A113 HydrophobicContact CD2-CB 4.49Å; A113-V115 HydrophobicContact CB-CG2 4.03Å; A113-I146 HydrophobicContact CB-CD1 3.6Å; A113-I146 HydrophobicContact CB-CG1 4.03Å; A113-I146 HydrophobicContact CB-CG2 3.99Å; A113-H148 PolarHBondContact N-O 2.67Å; A113-L149 HydrophobicContact CB-CD1 3.67Å; A113-L149 CarbonylContact O-C 3.6Å; A113-L149 WeakPolarHBondContact O-CA 3.44Å; A113-I150 PolarHBondContact O-N 3.4Å
114	V	98.8	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.1	174.2	-174.9	0	0	0	0	106.5	Y80 I81 I82 Q83 P116 I150 L355 I359	Y80-V114 HydrophobicContact CD1-CG2 4.13Å; I81-V114 PolarHBondContact O-N 2.95Å; I82-V114 WeakPolarHBondContact CA-O 3.4Å; I82-V114 HydrophobicContact CG1-CB 4.03Å; I82-V114 HydrophobicContact CG1-CG1 4.39Å; I82-V114 HydrophobicContact CG1-CG2 4.43Å; Q83-V114 PolarHBondContact N-O 3Å; V114-P116 WeakPolarHBondContact O-CD 3.42Å; V114-I150 HydrophobicContact CG1-CB 4.33Å; V114-I150 HydrophobicContact CG2-CB 4.41Å; V114-I150 HydrophobicContact CG2-CD1 3.9Å; V114-I150 HydrophobicContact CG2-CG1 4.39Å; V114-L355 HydrophobicContact CG1-CD2 4.07Å; V114-I359 HydrophobicContact CG2-CD1 4.12Å; V114-I359 HydrophobicContact CG2-CG1 4.15Å
115	V	98.7	Very high	97	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	80.3	-170.9	-172.9	0	0	0	0	109.5	Q83 L96 A113 Y117 L118 L149 I150 T151	Q83-V115 WeakPolarHBondContact O-CA 3.19Å; Q83-V115 WeakPolarHBondContact O-CG1 3.33Å; L96-V115 HydrophobicContact CD2-CG2 3.66Å; A113-V115 HydrophobicContact CB-CG2 4.03Å; V115-Y117 WeakPolarHBondContact CG1-O 3.39Å; V115-Y117 PolarHBondContact O-N 3.02Å; V115-L118 HydrophobicContact CG1-CB 4.41Å; V115-L118 HydrophobicContact CG1-CD1 3.99Å; V115-L149 HydrophobicContact CB-CD1 4.02Å; V115-L149 HydrophobicContact CG2-CD1 3.61Å; V115-I150 PolarHBondContact N-O 2.65Å; V115-T151 HydrophobicContact CB-CG2 4.48Å; V115-T151 WeakPolarHBondContact O-CA 3.44Å; V115-T151 WeakPolarHBondContact O-CG2 3.48Å
116	P	98.7	Very high	96.3	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.178	C	C	.	.	S	Bend	trans	-55.2	-48.6	-172.7	-25.5	34.6	0	0	0	112.4	L41 V114 L152 H309 T333 L355	L41-P116 HydrophobicContact CD2-CG 3.88Å; V114-P116 WeakPolarHBondContact O-CD 3.42Å; P116-L152 VanDerWaalsContact O-CB 3.32Å; P116-L152 WeakPolarHBondContact O-CB 3.35Å; P116-L152 PolarHBondContact O-N 3.29Å; P116-L152 VanDerWaalsContact O-N 3.1Å; P116-L152 VanDerWaalsContact O-O 3.12Å; P116-H309 PolarHBondContact O-CE1 3.49Å; P116-H309 VanDerWaalsContact O-CE1 3.28Å; P116-T333 HydrophobicContact CB-CG2 3.7Å; P116-L355 HydrophobicContact CB-CD1 4.39Å; P116-L355 HydrophobicContact CG-CD1 3.67Å; P116-L355 HydrophobicContact CG-CD2 4.37Å
117	Y	98.6	Very high	95.4	Very high	15 Å²	15	43.1 Å²	43.1	6%	0.059	19%	0.194	C	C	.	.	S	Bend	trans	-106.3	118.3	165.4	172.4	-110.5	0	0	0	109.9	S84 G85 V115 P119 I281 H309 L311 V334	S84-Y117 WeakPolarHBondContact OG-CB 3.5Å; S84-Y117 PolarHBondContact OG-N 3.34Å; S84-Y117 VanDerWaalsContact OG-N 3.14Å; G85-Y117 PolarHBondContact N-O 2.9Å; G85-Y117 VanDerWaalsContact N-O 3.12Å; G85-Y117 VanDerWaalsContact O-CD1 3.28Å; G85-Y117 WeakPolarHBondContact O-CD1 3.38Å; V115-Y117 WeakPolarHBondContact CG1-O 3.39Å; V115-Y117 PolarHBondContact O-N 3.02Å; Y117-P119 VanDerWaalsContact O-CD 3.26Å; Y117-P119 WeakPolarHBondContact O-CD 3.27Å; Y117-I281 HydrophobicContact CE2-CD1 3.84Å; Y117-I281 HydrophobicContact CE2-CG1 4.12Å; Y117-H309 HydrophobicContact CD2-CB 3.85Å; Y117-H309 AromaticContact CD2-CD2 3.75Å; Y117-H309 AromaticContact CD2-CG 3.48Å; Y117-H309 VanDerWaalsContact CD2-CG 3.48Å; Y117-H309 AromaticContact CD2-ND1 3.7Å; Y117-H309 HydrophobicContact CE2-CB 4.38Å; Y117-H309 HydrophobicContact CG-CB 4.46Å; Y117-L311 HydrophobicContact CD1-CD2 3.77Å; Y117-L311 HydrophobicContact CE1-CD1 4.03Å; Y117-L311 HydrophobicContact CE1-CD2 3.59Å; Y117-L311 HydrophobicContact CE1-CG 4.4Å; Y117-L311 HydrophobicContact CE2-CD2 4.46Å; Y117-L311 HydrophobicContact CG-CD2 4.29Å; Y117-V334 HydrophobicContact CD1-CG1 4.05Å; Y117-V334 HydrophobicContact CG-CG1 4.13Å
118	L	98.5	Very high	94.4	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	19%	0.187	C	C	.	.			trans	-83.3	114.8	177.4	-175.7	68	0	0	0	110.9	V115 S121 L141 T151 L154 I159 F163	V115-L118 HydrophobicContact CG1-CB 4.41Å; V115-L118 HydrophobicContact CG1-CD1 3.99Å; L118-S121 VanDerWaalsContact O-CB 3.25Å; L118-S121 WeakPolarHBondContact O-CB 3.43Å; L118-S121 PolarHBondContact O-N 2.84Å; L118-S121 PolarHBondContact O-OG 3.1Å; L118-L141 HydrophobicContact CD1-CD1 4.15Å; L118-T151 HydrophobicContact CB-CG2 4.23Å; L118-L154 HydrophobicContact CB-CD2 3.87Å; L118-L154 HydrophobicContact CD2-CD2 3.53Å; L118-L154 HydrophobicContact CG-CD2 4.35Å; L118-I159 HydrophobicContact CD2-CG2 3.97Å; L118-F163 HydrophobicContact CD1-CZ 4.4Å; L118-F163 HydrophobicContact CD2-CE2 4.16Å; L118-F163 HydrophobicContact CD2-CZ 4.06Å
119	P	97.6	Very high	93.4	Very high	7 Å²	7	49.3 Å²	49.3	5%	0.045	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	149.4	171.6	-33.7	40.5	0	0	0	114.2	V89 I93 Y117 S121	V89-P119 HydrophobicContact CG2-CB 3.5Å; V89-P119 VanDerWaalsContact CG2-CB 3.5Å; V89-P119 HydrophobicContact CG2-CG 3.85Å; I93-P119 HydrophobicContact CD1-CB 3.72Å; I93-P119 HydrophobicContact CD1-CG 4.19Å; I93-P119 HydrophobicContact CG1-CB 4.08Å; I93-P119 HydrophobicContact CG1-CG 3.98Å; Y117-P119 VanDerWaalsContact O-CD 3.26Å; Y117-P119 WeakPolarHBondContact O-CD 3.27Å; P119-S121 PolarHBondContact O-N 2.81Å
120	Y	97.4	Very high	92.7	Very high	51 Å²	51	46 Å²	46	20%	0.2	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	9.2	176.5	-61.4	-87.8	0	0	0	115.3	V89 N90 I93 T122 Q123 T133 S134 V137	V89-Y120 HydrophobicContact CG2-CD2 4.46Å; V89-Y120 HydrophobicContact CG2-CE2 4.03Å; N90-Y120 PolarHBondContact OD1-OH 3.37Å; I93-Y120 HydrophobicContact CD1-CD2 3.62Å; I93-Y120 HydrophobicContact CD1-CE2 3.39Å; Y120-T122 PolarHBondContact O-N 2.84Å; Y120-Q123 WeakPolarHBondContact O-CA 3.35Å; Y120-Q123 WeakPolarHBondContact O-CB 3.07Å; Y120-Q123 PolarHBondContact O-N 2.81Å; Y120-T133 HydrophobicContact CD1-CG2 3.38Å; Y120-T133 HydrophobicContact CE1-CG2 3.83Å; Y120-T133 HydrophobicContact CG-CG2 3.94Å; Y120-S134 WeakPolarHBondContact O-CB 3.26Å; Y120-V137 HydrophobicContact CD2-CG2 3.68Å; Y120-V137 HydrophobicContact CE2-CG2 4.42Å; Y120-V137 HydrophobicContact CG-CG2 4.01Å
121	S	96.2	Very high	92.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-60.3	-29.6	-179.7	52.3	0	0	0	0	113.8	L118 P119 Q123 S124 I159	L118-S121 VanDerWaalsContact O-CB 3.25Å; L118-S121 WeakPolarHBondContact O-CB 3.43Å; L118-S121 PolarHBondContact O-N 2.84Å; L118-S121 PolarHBondContact O-OG 3.1Å; P119-S121 PolarHBondContact O-N 2.81Å; S121-Q123 PolarHBondContact O-N 3.11Å; S121-S124 VanDerWaalsContact O-CB 3.31Å; S121-S124 WeakPolarHBondContact O-CB 3.07Å; S121-S124 PolarHBondContact O-OG 3.13Å; S121-S124 VanDerWaalsContact O-OG 3.09Å; S121-I159 VanDerWaalsContact O-CD1 3.32Å; S121-I159 WeakPolarHBondContact O-CD1 3.46Å
122	T	93.9	Very high	92.2	Very high	71 Å²	71	49.6 Å²	49.6	44%	0.436	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-70	-18.2	173.1	60.9	0	0	0	0	113.2	Y120 S124 I281	Y120-T122 PolarHBondContact O-N 2.84Å; T122-S124 VanDerWaalsContact C-N 3.33Å; T122-S124 PolarHBondContact O-N 3.24Å; T122-I281 HydrophobicContact CG2-CD1 3.59Å
123	Q	94.8	Very high	92.1	Very high	84 Å²	84	50.6 Å²	50.6	39%	0.393	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-97.9	39.9	178.1	-56.2	-177.4	34.7	0	0	111.7	Y120 S121 T133 S134	Y120-Q123 WeakPolarHBondContact O-CA 3.35Å; Y120-Q123 WeakPolarHBondContact O-CB 3.07Å; Y120-Q123 PolarHBondContact O-N 2.81Å; S121-Q123 PolarHBondContact O-N 3.11Å; Q123-T133 PolarHBondContact O-N 3.34Å; Q123-T133 PolarHBondContact OE1-OG1 2.8Å; Q123-S134 PolarHBondContact O-N 3.13Å
124	S	94.4	Very high	92.1	Very high	8 Å²	8	50.7 Å²	50.7	6%	0.056	24%	0.238	C	C	.	.			trans	-90.5	-8.2	-177.5	55.3	0	0	0	0	114.6	S121 T122 I132 I159 F162	S121-S124 VanDerWaalsContact O-CB 3.31Å; S121-S124 WeakPolarHBondContact O-CB 3.07Å; S121-S124 PolarHBondContact O-OG 3.13Å; S121-S124 VanDerWaalsContact O-OG 3.09Å; T122-S124 VanDerWaalsContact C-N 3.33Å; T122-S124 PolarHBondContact O-N 3.24Å; S124-I132 WeakPolarHBondContact O-CG2 3.28Å; S124-I159 VanDerWaalsContact CB-CG1 3.47Å; S124-F162 WeakPolarHBondContact O-CZ 3.23Å
125	K	89.6	Confident	92	Very high	122 Å²	122	53.5 Å²	53.5	53%	0.53	25%	0.25	S	S	.	.	S	Bend	trans	-117.9	139.4	178.8	-65.5	179.4	-178.5	174.6	0	110.5	R127	K125-R127 PolarHBondContact O-N 2.99Å
126	R	83.9	Confident	92	Very high	117 Å²	117	58.3 Å²	58.3	44%	0.442	28%	0.276	S	S	.	.			trans	-64.1	123.4	173.2	-173.6	174.2	-177.1	86.2	-6.6	109.1	K128 G130 I132 N232	R126-K128 PolarHBondContact NE-O 3.08Å; R126-G130 WeakPolarHBondContact CG-O 3.3Å; R126-G130 PolarHBondContact NH1-O 3.08Å; R126-I132 HydrophobicContact CB-CD1 4.28Å; R126-I132 HydrophobicContact CB-CG1 4.02Å; R126-N232 PolarHBondContact NH2-OD1 3.28Å
127	R	78.5	Confident	92	Very high	173 Å²	173	58.5 Å²	58.5	65%	0.653	28%	0.277	S	S	*	.			trans	-110	112.3	171.8	-58.3	-60.1	-177.1	169.8	2.7	108.2	K125 R129 G130	K125-R127 PolarHBondContact O-N 2.99Å; R127-R129 PolarHBondContact O-N 2.86Å; R127-G130 WeakPolarHBondContact O-CA 3.4Å; R127-G130 PolarHBondContact O-N 3Å
128	K	75.2	Confident	92	Very high	65 Å²	65	57.8 Å²	57.8	28%	0.283	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	-124.4	178.6	-51	170.9	-178.6	139.8	0	111.6	R126 G130 S225 D226 T228 D229 G230	R126-K128 PolarHBondContact NE-O 3.08Å; K128-G130 VanDerWaalsContact C-N 3.31Å; K128-S225 WeakPolarHBondContact CE-O 3.44Å; K128-S225 PolarHBondContact NZ-O 3.02Å; K128-S225 PolarHBondContact NZ-OG 2.98Å; K128-D226 VanDerWaalsContact NZ-CA 3.28Å; K128-D226 IonicContact NZ-OD1 2.8Å; K128-D226 PolarHBondContact NZ-OD1 3.41Å; K128-T228 WeakPolarHBondContact CD-O 3.27Å; K128-T228 WeakPolarHBondContact CE-O 3.4Å; K128-T228 WeakPolarHBondContact CG-O 3.49Å; K128-D229 WeakPolarHBondContact CA-O 3.4Å; K128-G230 CarbonylContact C-O 3.49Å
129	R	77.1	Confident	92	Very high	138 Å²	138	61.6 Å²	61.6	52%	0.521	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	0.7	173.7	-67.8	-174.2	177.5	-151.7	-5.7	114.4	R127 G230 R231 S233	R127-R129 PolarHBondContact O-N 2.86Å; R129-G230 WeakPolarHBondContact CG-O 3.3Å; R129-R231 PolarHBondContact NH2-O 3.18Å; R129-S233 PolarHBondContact NH2-O 3Å
130	G	82	Confident	92	Very high	25 Å²	25	64.6 Å²	64.6	26%	0.258	30%	0.304	S	S	.	.			trans	-72.2	159.4	-176.3	0	0	0	0	0	114.3	R126 R127 K128	R126-G130 WeakPolarHBondContact CG-O 3.3Å; R126-G130 PolarHBondContact NH1-O 3.08Å; R127-G130 WeakPolarHBondContact O-CA 3.4Å; R127-G130 PolarHBondContact O-N 3Å; K128-G130 VanDerWaalsContact C-N 3.31Å
131	P	90.9	Very high	92.1	Very high	95 Å²	95	62.3 Å²	62.3	62%	0.617	30%	0.296	S	S	*	.			trans	-74.6	170.2	175.2	33.5	-35.7	0	0	0	111.8
132	I	94	Very high	92.2	Very high	60 Å²	60	63.2 Å²	63.2	31%	0.308	30%	0.302	S	S	.	.			trans	-98.9	85.7	162.3	-55.8	176.9	0	0	0	106.5	S124 R126 S134 K135 L136 F162	S124-I132 WeakPolarHBondContact O-CG2 3.28Å; R126-I132 HydrophobicContact CB-CD1 4.28Å; R126-I132 HydrophobicContact CB-CG1 4.02Å; I132-S134 VanDerWaalsContact C-N 3.27Å; I132-S134 PolarHBondContact O-N 3.04Å; I132-K135 HydrophobicContact CB-CB 4.13Å; I132-K135 HydrophobicContact CG2-CB 3.81Å; I132-K135 WeakPolarHBondContact O-CB 3.41Å; I132-K135 PolarHBondContact O-N 3.31Å; I132-L136 PolarHBondContact O-N 3.17Å; I132-F162 HydrophobicContact CG2-CE2 3.84Å; I132-F162 HydrophobicContact CG2-CZ 3.94Å
133	T	96.8	Very high	92.4	Very high	23 Å²	23	63.8 Å²	63.8	14%	0.141	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-36.5	-172.5	-44.1	0	0	0	0	112	Y120 Q123 K135 L136 V137	Y120-T133 HydrophobicContact CD1-CG2 3.38Å; Y120-T133 HydrophobicContact CE1-CG2 3.83Å; Y120-T133 HydrophobicContact CG-CG2 3.94Å; Q123-T133 PolarHBondContact O-N 3.34Å; Q123-T133 PolarHBondContact OE1-OG1 2.8Å; T133-K135 PolarHBondContact O-N 2.78Å; T133-L136 WeakPolarHBondContact O-CB 3.43Å; T133-L136 PolarHBondContact O-N 3.33Å; T133-V137 PolarHBondContact O-N 2.9Å
134	S	97.6	Very high	92.6	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.007	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-35.5	174.9	-172.1	0	0	0	0	112.6	Y120 Q123 I132 V137 A138	Y120-S134 WeakPolarHBondContact O-CB 3.26Å; Q123-S134 PolarHBondContact O-N 3.13Å; I132-S134 VanDerWaalsContact C-N 3.27Å; I132-S134 PolarHBondContact O-N 3.04Å; S134-V137 PolarHBondContact O-N 3.47Å; S134-A138 WeakPolarHBondContact O-CB 3.22Å; S134-A138 PolarHBondContact O-N 3.29Å
135	K	97.8	Very high	92.8	Very high	59 Å²	59	60.4 Å²	60.4	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-70.7	-35.7	176.1	-178.1	63	171.6	-177	0	111.9	I132 T133 A138 K139 F162	I132-K135 HydrophobicContact CB-CB 4.13Å; I132-K135 HydrophobicContact CG2-CB 3.81Å; I132-K135 WeakPolarHBondContact O-CB 3.41Å; I132-K135 PolarHBondContact O-N 3.31Å; T133-K135 PolarHBondContact O-N 2.78Å; K135-A138 PolarHBondContact O-N 3.1Å; K135-K139 WeakPolarHBondContact O-CG 3.13Å; K135-K139 PolarHBondContact O-N 2.87Å; K135-F162 HydrophobicContact CB-CD2 4.05Å; K135-F162 HydrophobicContact CB-CE2 4.41Å; K135-F162 HydrophobicContact CB-CG 4.14Å; K135-F162 HydrophobicContact CD-CB 3.49Å; K135-F162 VanDerWaalsContact CD-CB 3.49Å; K135-F162 HydrophobicContact CD-CD1 3.84Å; K135-F162 HydrophobicContact CD-CD2 4.43Å; K135-F162 HydrophobicContact CD-CG 3.67Å; K135-F162 HydrophobicContact CG-CG 4.47Å; K135-F162 VanDerWaalsContact NZ-C 3.34Å; K135-F162 VanDerWaalsContact NZ-CA 3.33Å; K135-F162 PolarHBondContact NZ-O 3.2Å
136	L	98.4	Very high	93.2	Very high	104 Å²	104	54.9 Å²	54.9	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-49.3	172.8	173.2	62.6	0	0	0	110.5	I132 T133 A138 K139 M140	I132-L136 PolarHBondContact O-N 3.17Å; T133-L136 WeakPolarHBondContact O-CB 3.43Å; T133-L136 PolarHBondContact O-N 3.33Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-A138 PolarHBondContact O-N 3.24Å; L136-K139 PolarHBondContact O-N 3.06Å; L136-K139 VanDerWaalsContact O-N 3.14Å; L136-M140 HydrophobicContact CD1-CG 4.3Å; L136-M140 HydrophobicContact CD1-SD 4.45Å; L136-M140 HydrophobicContact CG-CE 4.23Å; L136-M140 HydrophobicContact CG-SD 4.47Å; L136-M140 WeakPolarHBondContact O-CG 3.19Å; L136-M140 PolarHBondContact O-N 2.81Å
137	V	98.6	Very high	93.9	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-46.1	176.9	175.3	0	0	0	0	110.9	I93 Y120 T133 S134 K139 M140 L141	I93-V137 HydrophobicContact CD1-CG1 4.44Å; I93-V137 HydrophobicContact CD1-CG2 4.3Å; Y120-V137 HydrophobicContact CD2-CG2 3.68Å; Y120-V137 HydrophobicContact CE2-CG2 4.42Å; Y120-V137 HydrophobicContact CG-CG2 4.01Å; T133-V137 PolarHBondContact O-N 2.9Å; S134-V137 PolarHBondContact O-N 3.47Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 3.3Å; V137-M140 HydrophobicContact CG2-CE 4.22Å; V137-M140 PolarHBondContact O-N 3.48Å; V137-L141 HydrophobicContact CG1-CD1 3.95Å; V137-L141 HydrophobicContact CG1-CG 4.31Å; V137-L141 WeakPolarHBondContact O-CG 3.19Å; V137-L141 PolarHBondContact O-N 3.15Å
138	A	98.6	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-45.3	176.1	0	0	0	0	0	112.6	S134 K135 L136 L141 C142 F162 F163	S134-A138 WeakPolarHBondContact O-CB 3.22Å; S134-A138 PolarHBondContact O-N 3.29Å; K135-A138 PolarHBondContact O-N 3.1Å; L136-A138 VanDerWaalsContact C-N 3.32Å; L136-A138 PolarHBondContact O-N 3.24Å; A138-L141 PolarHBondContact O-N 3.37Å; A138-C142 PolarHBondContact O-N 3.47Å; A138-C142 PolarHBondContact O-SG 3.2Å; A138-C142 VanDerWaalsContact O-SG 3.34Å; A138-F162 HydrophobicContact CB-CB 3.77Å; A138-F163 HydrophobicContact CB-CD1 3.88Å; A138-F163 HydrophobicContact CB-CD2 3.61Å; A138-F163 HydrophobicContact CB-CE1 3.71Å; A138-F163 HydrophobicContact CB-CE2 3.46Å; A138-F163 VanDerWaalsContact CB-CE2 3.46Å; A138-F163 HydrophobicContact CB-CG 3.85Å; A138-F163 HydrophobicContact CB-CZ 3.52Å
139	K	98.6	Very high	96	Very high	84 Å²	84	42 Å²	42	37%	0.365	23%	0.232	S	C	.	.	H	α-helix	trans	-65.4	-39.8	178.5	-71.6	-71	175.5	-173.7	0	112.5	K135 L136 V137 A143 D164	K135-K139 WeakPolarHBondContact O-CG 3.13Å; K135-K139 PolarHBondContact O-N 2.87Å; L136-K139 PolarHBondContact O-N 3.06Å; L136-K139 VanDerWaalsContact O-N 3.14Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 3.3Å; K139-A143 VanDerWaalsContact O-CB 3.26Å; K139-A143 WeakPolarHBondContact O-CB 3.21Å; K139-A143 PolarHBondContact O-N 3.41Å; K139-D164 IonicContact NZ-OD1 3.24Å; K139-D164 PolarHBondContact NZ-OD1 3.44Å; K139-D164 IonicContact NZ-OD2 3.01Å; K139-D164 PolarHBondContact NZ-OD2 2.83Å
140	M	98.8	Very high	97	Very high	70 Å²	70	35.5 Å²	35.5	35%	0.345	21%	0.208	S	C	.	.	H	α-helix	trans	-64.2	-45.6	174.9	-66.5	-170.9	-60.3	0	0	111.5	L97 L136 V137 C142 A143 S144	L97-M140 HydrophobicContact CD1-CB 4.21Å; L97-M140 VanDerWaalsContact CD2-C 3.43Å; L97-M140 HydrophobicContact CD2-CB 3.97Å; L97-M140 VanDerWaalsContact CD2-O 3.25Å; L97-M140 WeakPolarHBondContact CD2-O 3.36Å; L136-M140 HydrophobicContact CD1-CG 4.3Å; L136-M140 HydrophobicContact CD1-SD 4.45Å; L136-M140 HydrophobicContact CG-CE 4.23Å; L136-M140 HydrophobicContact CG-SD 4.47Å; L136-M140 WeakPolarHBondContact O-CG 3.19Å; L136-M140 PolarHBondContact O-N 2.81Å; V137-M140 HydrophobicContact CG2-CE 4.22Å; V137-M140 PolarHBondContact O-N 3.48Å; M140-C142 PolarHBondContact O-N 3.12Å; M140-A143 PolarHBondContact O-N 2.99Å; M140-S144 PolarHBondContact O-N 3.35Å
141	L	98.6	Very high	97.8	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-47.3	177.4	-70.9	175.2	0	0	0	111.4	L96 L97 L118 V137 A138 A143 S144 I146 F163	L96-L141 HydrophobicContact CD2-CD2 3.53Å; L96-L141 HydrophobicContact CG-CD2 3.91Å; L97-L141 HydrophobicContact CD2-CD2 3.91Å; L97-L141 HydrophobicContact CD2-CG 4.47Å; L118-L141 HydrophobicContact CD1-CD1 4.15Å; V137-L141 HydrophobicContact CG1-CD1 3.95Å; V137-L141 HydrophobicContact CG1-CG 4.31Å; V137-L141 WeakPolarHBondContact O-CG 3.19Å; V137-L141 PolarHBondContact O-N 3.15Å; A138-L141 PolarHBondContact O-N 3.37Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-A143 PolarHBondContact O-N 3.48Å; L141-S144 PolarHBondContact O-N 3.09Å; L141-S144 PolarHBondContact O-OG 3.5Å; L141-I146 HydrophobicContact CB-CD1 3.88Å; L141-I146 HydrophobicContact CD2-CD1 3.73Å; L141-I146 HydrophobicContact CG-CD1 4.36Å; L141-F163 HydrophobicContact CB-CE1 4.13Å; L141-F163 HydrophobicContact CD1-CE1 3.83Å; L141-F163 HydrophobicContact CD1-CZ 4.14Å
142	C	98.4	Very high	98.1	Very high	22 Å²	22	29.8 Å²	29.8	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-43.6	173.9	-67.7	0	0	0	0	112.2	A138 M140 S144 G145	A138-C142 PolarHBondContact O-N 3.47Å; A138-C142 PolarHBondContact O-SG 3.2Å; A138-C142 VanDerWaalsContact O-SG 3.34Å; M140-C142 PolarHBondContact O-N 3.12Å; C142-S144 VanDerWaalsContact C-N 3.27Å; C142-S144 PolarHBondContact O-N 3.35Å; C142-G145 PolarHBondContact O-N 3.17Å; C142-G145 VanDerWaalsContact O-N 3.15Å
143	A	98.5	Very high	98.2	Very high	82 Å²	82	27 Å²	27	68%	0.678	15%	0.152	S	C	*	.	H	α-helix	trans	-65.5	-27.8	-179.5	0	0	0	0	0	113.4	K139 M140 L141 G145	K139-A143 VanDerWaalsContact O-CB 3.26Å; K139-A143 WeakPolarHBondContact O-CB 3.21Å; K139-A143 PolarHBondContact O-N 3.41Å; M140-A143 PolarHBondContact O-N 2.99Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-A143 PolarHBondContact O-N 3.48Å; A143-G145 PolarHBondContact O-N 3.32Å
144	S	98.5	Very high	98.2	Very high	10 Å²	10	26.2 Å²	26.2	7%	0.07	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.8	175.3	74.1	0	0	0	0	114	A100 Y101 M140 L141 C142	A100-S144 CarbonylContact C-O 3.52Å; A100-S144 WeakPolarHBondContact CB-OG 3.26Å; Y101-S144 WeakPolarHBondContact CA-O 3.39Å; Y101-S144 PolarHBondContact N-O 2.92Å; M140-S144 PolarHBondContact O-N 3.35Å; L141-S144 PolarHBondContact O-N 3.09Å; L141-S144 PolarHBondContact O-OG 3.5Å; C142-S144 VanDerWaalsContact C-N 3.27Å; C142-S144 PolarHBondContact O-N 3.35Å
145	G	98	Very high	98	Very high	12 Å²	12	29.6 Å²	29.6	12%	0.124	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.4	8.4	179.2	0	0	0	0	0	114.8	C142 A143 N147	C142-G145 PolarHBondContact O-N 3.17Å; C142-G145 VanDerWaalsContact O-N 3.15Å; A143-G145 PolarHBondContact O-N 3.32Å; G145-N147 PolarHBondContact O-N 3.09Å; G145-N147 PolarHBondContact O-OD1 3.07Å
146	I	98.7	Very high	97.8	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.031	15%	0.154	C	C	.	.			trans	-57.9	133.8	168.6	-67.6	165.3	0	0	0	109.1	L96 A100 V111 A113 L141 H148 V165	L96-I146 HydrophobicContact CG-CD1 4.47Å; A100-I146 HydrophobicContact CB-CD1 4.26Å; A100-I146 HydrophobicContact CB-CG1 3.78Å; V111-I146 HydrophobicContact CG1-CG1 4.47Å; A113-I146 HydrophobicContact CB-CD1 3.6Å; A113-I146 HydrophobicContact CB-CG1 4.03Å; A113-I146 HydrophobicContact CB-CG2 3.99Å; L141-I146 HydrophobicContact CB-CD1 3.88Å; L141-I146 HydrophobicContact CD2-CD1 3.73Å; L141-I146 HydrophobicContact CG-CD1 4.36Å; I146-H148 WeakPolarHBondContact CG2-O 3.41Å; I146-V165 WeakPolarHBondContact O-CG1 3.39Å
147	N	98.4	Very high	97.5	Very high	52 Å²	52	25 Å²	25	28%	0.278	14%	0.139	S	C	.	.			trans	-105.8	-19.6	-179.8	-56	119.4	0	0	0	113.3	R104 K110 V111 G145 P166	R104-N147 PolarHBondContact NH1-ND2 2.91Å; K110-N147 WeakPolarHBondContact CA-OD1 3.41Å; V111-N147 PolarHBondContact N-OD1 3.22Å; V111-N147 PolarHBondContact O-N 3.07Å; G145-N147 PolarHBondContact O-N 3.09Å; G145-N147 PolarHBondContact O-OD1 3.07Å; N147-P166 WeakPolarHBondContact O-CD 3.26Å
148	H	98.5	Very high	97.3	Very high	31 Å²	31	30.9 Å²	30.9	14%	0.144	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	141.6	179.8	-161.5	164.7	0	0	0	108.2	I112 A113 I146 P166 D168	I112-H148 CarbonylContact C-O 3.6Å; I112-H148 VanDerWaalsContact CA-O 3.32Å; I112-H148 WeakPolarHBondContact CA-O 3.39Å; I112-H148 HydrophobicContact CB-CB 4.49Å; I112-H148 HydrophobicContact CG1-CB 4.03Å; I112-H148 HydrophobicContact CG2-CB 4.14Å; A113-H148 PolarHBondContact N-O 2.67Å; I146-H148 WeakPolarHBondContact CG2-O 3.41Å; H148-P166 HydrophobicContact CB-CG 4.24Å; H148-P166 PolarHBondContact CD2-O 3.36Å; H148-D168 IonicContact CE1-OD2 3.53Å; H148-D168 PolarHBondContact CE1-OD2 3.38Å; H148-D168 IonicContact NE2-OD2 2.77Å; H148-D168 PolarHBondContact NE2-OD2 2.94Å
149	L	98.6	Very high	97.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.6	173.1	-177.1	70.7	0	0	0	111.3	A113 V115 T151 F163 P166 I167 D168	A113-L149 HydrophobicContact CB-CD1 3.67Å; A113-L149 CarbonylContact O-C 3.6Å; A113-L149 WeakPolarHBondContact O-CA 3.44Å; V115-L149 HydrophobicContact CB-CD1 4.02Å; V115-L149 HydrophobicContact CG2-CD1 3.61Å; L149-T151 HydrophobicContact CD1-CG2 4.37Å; L149-T151 HydrophobicContact CD2-CG2 3.68Å; L149-T151 HydrophobicContact CG-CG2 3.84Å; L149-F163 HydrophobicContact CD2-CD1 4.1Å; L149-F163 HydrophobicContact CD2-CE1 3.55Å; L149-F163 HydrophobicContact CD2-CE2 4.09Å; L149-F163 HydrophobicContact CD2-CZ 3.53Å; L149-P166 PolarHBondContact N-O 3.13Å; L149-I167 HydrophobicContact CB-CG1 4.19Å; L149-I167 HydrophobicContact CB-CG2 4.19Å; L149-I167 HydrophobicContact CD2-CD1 4.07Å; L149-I167 HydrophobicContact CD2-CG1 4.33Å; L149-I167 HydrophobicContact CD2-CG2 4.09Å; L149-I167 HydrophobicContact CG-CG2 4.23Å; L149-I167 CarbonylContact O-C 3.58Å; L149-I167 WeakPolarHBondContact O-CA 3.44Å; L149-D168 PolarHBondContact O-N 2.75Å
150	I	98.6	Very high	97.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.3	166.1	-51.1	178.6	0	0	0	107.4	I112 A113 V114 V115 D168 L170 A358 I359 I362	I112-I150 HydrophobicContact CG2-CD1 4.23Å; I112-I150 HydrophobicContact CG2-CG1 4.15Å; A113-I150 PolarHBondContact O-N 3.4Å; V114-I150 HydrophobicContact CG1-CB 4.33Å; V114-I150 HydrophobicContact CG2-CB 4.41Å; V114-I150 HydrophobicContact CG2-CD1 3.9Å; V114-I150 HydrophobicContact CG2-CG1 4.39Å; V115-I150 PolarHBondContact N-O 2.65Å; I150-D168 CarbonylContact C-O 3.57Å; I150-D168 WeakPolarHBondContact CA-O 3.45Å; I150-L170 HydrophobicContact CG2-CD1 3.65Å; I150-L170 HydrophobicContact CG2-CG 3.93Å; I150-A358 HydrophobicContact CD1-CB 4.36Å; I150-A358 HydrophobicContact CG2-CB 4.45Å; I150-I359 HydrophobicContact CD1-CG1 4.2Å; I150-I362 HydrophobicContact CD1-CD1 3.41Å; I150-I362 VanDerWaalsContact CD1-CD1 3.41Å; I150-I362 HydrophobicContact CG1-CD1 3.73Å
151	T	98.4	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	167.8	176.8	46.6	0	0	0	0	110.3	V115 L118 L149 L154 D168 N169 L170	V115-T151 HydrophobicContact CB-CG2 4.48Å; V115-T151 WeakPolarHBondContact O-CA 3.44Å; V115-T151 WeakPolarHBondContact O-CG2 3.48Å; L118-T151 HydrophobicContact CB-CG2 4.23Å; L149-T151 HydrophobicContact CD1-CG2 4.37Å; L149-T151 HydrophobicContact CD2-CG2 3.68Å; L149-T151 HydrophobicContact CG-CG2 3.84Å; T151-L154 HydrophobicContact CG2-CD2 4.08Å; T151-D168 PolarHBondContact N-O 3.44Å; T151-N169 WeakPolarHBondContact OG1-CA 3.5Å; T151-N169 PolarHBondContact OG1-OD1 3.23Å; T151-L170 WeakPolarHBondContact O-CB 3.48Å; T151-L170 PolarHBondContact O-N 3.11Å
152	L	97.7	Very high	97	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.3	170.6	-167	71.7	0	0	0	108.3	P116 L154 L170 A172 T308 H309 T333 I351 L354	P116-L152 VanDerWaalsContact O-CB 3.32Å; P116-L152 WeakPolarHBondContact O-CB 3.35Å; P116-L152 PolarHBondContact O-N 3.29Å; P116-L152 VanDerWaalsContact O-N 3.1Å; P116-L152 VanDerWaalsContact O-O 3.12Å; L152-L154 PolarHBondContact O-N 2.98Å; L152-L170 HydrophobicContact CD1-CB 3.54Å; L152-A172 HydrophobicContact CD1-CB 4.39Å; L152-A172 HydrophobicContact CD2-CB 3.98Å; L152-A172 HydrophobicContact CG-CB 4.27Å; L152-T308 HydrophobicContact CD2-CG2 3.69Å; L152-T308 HydrophobicContact CG-CG2 3.93Å; L152-H309 PolarHBondContact O-CE1 2.91Å; L152-H309 PolarHBondContact O-NE2 2.94Å; L152-T333 HydrophobicContact CB-CG2 4.2Å; L152-T333 HydrophobicContact CD2-CG2 3.29Å; L152-T333 HydrophobicContact CG-CG2 4.29Å; L152-I351 HydrophobicContact CD2-CB 4.32Å; L152-I351 HydrophobicContact CD2-CG1 3.94Å; L152-I351 HydrophobicContact CD2-CG2 4.24Å; L152-L354 HydrophobicContact CD1-CD2 3.63Å
153	D	95.6	Very high	97	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.182	C	C	.	.	S	Bend	trans	38.1	59.6	175	-69.1	-42.6	0	0	0	116.3	H155 N169 L170 R171 A172 T308 H309	D153-H155 PolarHBondContact O-N 2.71Å; D153-N169 PolarHBondContact N-OD1 3.39Å; D153-N169 VanDerWaalsContact N-OD1 3.16Å; D153-L170 PolarHBondContact N-O 3.33Å; D153-R171 WeakPolarHBondContact OD1-CD 3.39Å; D153-R171 IonicContact OD1-CZ 3Å; D153-R171 IonicContact OD1-NE 3.25Å; D153-R171 IonicContact OD1-NH1 3.98Å; D153-R171 PolarHBondContact OD1-NH1 2.89Å; D153-A172 VanDerWaalsContact OD2-CB 3.31Å; D153-A172 WeakPolarHBondContact OD2-CB 3.42Å; D153-A172 PolarHBondContact OD2-N 2.87Å; D153-T308 HydrophobicContact CB-CG2 3.85Å; D153-T308 WeakPolarHBondContact OD2-CG2 2.87Å; D153-T308 PolarHBondContact OD2-OG1 3.47Å; D153-H309 PolarHBondContact O-NE2 3.23Å
154	L	96.4	Very high	97	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	18%	0.178	C	C	.	.			trans	-45.4	133.7	169.5	-71.8	173	0	0	0	112.4	L118 T151 L152 S156 I159 Q160 N169	L118-L154 HydrophobicContact CB-CD2 3.87Å; L118-L154 HydrophobicContact CD2-CD2 3.53Å; L118-L154 HydrophobicContact CG-CD2 4.35Å; T151-L154 HydrophobicContact CG2-CD2 4.08Å; L152-L154 PolarHBondContact O-N 2.98Å; L154-S156 PolarHBondContact O-N 3.49Å; L154-I159 HydrophobicContact CD1-CB 4.28Å; L154-I159 HydrophobicContact CD1-CG2 4.36Å; L154-I159 HydrophobicContact CD2-CG2 4.25Å; L154-Q160 HydrophobicContact CD1-CG 3.7Å; L154-N169 HydrophobicContact CD1-CB 4Å; L154-N169 HydrophobicContact CG-CB 4.36Å; L154-N169 WeakPolarHBondContact CG-OD1 3.34Å; L154-N169 PolarHBondContact N-OD1 2.74Å
155	H	94.9	Very high	97	Very high	72 Å²	72	33.5 Å²	33.5	33%	0.333	18%	0.183	S	C	.	.	S	Bend	trans	-50.1	-36.8	178.5	179.7	65.6	0	0	0	113.7	D153 D280 I281	D153-H155 PolarHBondContact O-N 2.71Å; H155-D280 VanDerWaalsContact CA-OD2 3.26Å; H155-D280 WeakPolarHBondContact CA-OD2 3.44Å; H155-D280 WeakPolarHBondContact CB-OD2 3.22Å; H155-D280 IonicContact CE1-OD2 2.8Å; H155-D280 IonicContact CG-OD2 3.26Å; H155-D280 IonicContact ND1-OD1 2.93Å; H155-D280 IonicContact ND1-OD2 3.74Å; H155-D280 PolarHBondContact ND1-OD2 3.38Å; H155-I281 HydrophobicContact CB-CD1 4.28Å
156	S	93.4	Very high	96.9	Very high	12 Å²	12	36.6 Å²	36.6	8%	0.084	20%	0.201	C	C	.	.	S	Bend	trans	-138.7	130.3	174.9	152.5	0	0	0	0	108.3	L154 E158 I159	L154-S156 PolarHBondContact O-N 3.49Å; S156-E158 PolarHBondContact O-N 3.46Å; S156-E158 PolarHBondContact OG-OE2 3.41Å; S156-I159 VanDerWaalsContact O-CB 3.24Å; S156-I159 WeakPolarHBondContact O-CB 3.17Å; S156-I159 WeakPolarHBondContact O-CD1 3.32Å; S156-I159 WeakPolarHBondContact O-CG1 3.48Å; S156-I159 PolarHBondContact O-N 2.78Å; S156-I159 VanDerWaalsContact O-N 3.13Å
157	K	91.3	Very high	96.8	Very high	54 Å²	54	37.3 Å²	37.3	24%	0.235	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-66.9	-26.4	-175.3	-69.6	163.6	-165	167.1	0	111.9	I159 Q160 K377 D378 D379	K157-I159 PolarHBondContact O-N 2.57Å; K157-Q160 WeakPolarHBondContact O-CB 3.46Å; K157-Q160 WeakPolarHBondContact O-CG 3.3Å; K157-Q160 PolarHBondContact O-N 3.39Å; K157-Q160 PolarHBondContact O-NE2 3.4Å; K157-K377 WeakPolarHBondContact CE-O 3.22Å; K157-K377 PolarHBondContact NZ-O 3.2Å; K157-D378 PolarHBondContact NZ-O 3.32Å; K157-D379 WeakPolarHBondContact CE-O 3.43Å; K157-D379 PolarHBondContact NZ-O 3.06Å
158	E	94.1	Very high	96.7	Very high	129 Å²	129	36.3 Å²	36.3	60%	0.603	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-63.8	-21.5	177.1	-60.5	74.4	-162.6	0	0	112.3	S156 Q160 G161	S156-E158 PolarHBondContact O-N 3.46Å; S156-E158 PolarHBondContact OG-OE2 3.41Å; E158-Q160 PolarHBondContact O-N 3.04Å; E158-Q160 VanDerWaalsContact O-N 3.11Å; E158-G161 PolarHBondContact O-N 3.29Å
159	I	97.3	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-56	-27.3	173.5	-64.5	168.7	0	0	0	111	L118 S121 S124 L154 S156 K157 G161 F162 F163	L118-I159 HydrophobicContact CD2-CG2 3.97Å; S121-I159 VanDerWaalsContact O-CD1 3.32Å; S121-I159 WeakPolarHBondContact O-CD1 3.46Å; S124-I159 VanDerWaalsContact CB-CG1 3.47Å; L154-I159 HydrophobicContact CD1-CB 4.28Å; L154-I159 HydrophobicContact CD1-CG2 4.36Å; L154-I159 HydrophobicContact CD2-CG2 4.25Å; S156-I159 VanDerWaalsContact O-CB 3.24Å; S156-I159 WeakPolarHBondContact O-CB 3.17Å; S156-I159 WeakPolarHBondContact O-CD1 3.32Å; S156-I159 WeakPolarHBondContact O-CG1 3.48Å; S156-I159 PolarHBondContact O-N 2.78Å; S156-I159 VanDerWaalsContact O-N 3.13Å; K157-I159 PolarHBondContact O-N 2.57Å; I159-G161 PolarHBondContact O-N 3.11Å; I159-F162 HydrophobicContact CB-CD2 4.26Å; I159-F162 HydrophobicContact CB-CE2 4.46Å; I159-F162 HydrophobicContact CG1-CD2 4.32Å; I159-F162 HydrophobicContact CG1-CE2 4.07Å; I159-F162 HydrophobicContact CG2-CD2 4.06Å; I159-F162 WeakPolarHBondContact O-CB 3.44Å; I159-F162 PolarHBondContact O-N 2.95Å; I159-F163 HydrophobicContact CG2-CE2 4.11Å
160	Q	96.9	Very high	96.5	Very high	73 Å²	73	35 Å²	35	34%	0.341	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-58.1	-35.3	175	-66.7	172.8	96	0	0	112.6	L154 K157 E158 F162 F163 I167	L154-Q160 HydrophobicContact CD1-CG 3.7Å; K157-Q160 WeakPolarHBondContact O-CB 3.46Å; K157-Q160 WeakPolarHBondContact O-CG 3.3Å; K157-Q160 PolarHBondContact O-N 3.39Å; K157-Q160 PolarHBondContact O-NE2 3.4Å; E158-Q160 PolarHBondContact O-N 3.04Å; E158-Q160 VanDerWaalsContact O-N 3.11Å; Q160-F162 PolarHBondContact O-N 2.71Å; Q160-F162 VanDerWaalsContact O-N 3.13Å; Q160-F163 PolarHBondContact O-N 3.21Å; Q160-I167 HydrophobicContact CB-CD1 4.24Å; Q160-I167 HydrophobicContact CG-CB 4.33Å; Q160-I167 HydrophobicContact CG-CD1 4.28Å; Q160-I167 HydrophobicContact CG-CG2 4.49Å
161	G	97.3	Very high	96.3	Very high	61 Å²	61	36.2 Å²	36.2	63%	0.629	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-70.9	-2.3	174.7	0	0	0	0	0	114.1	E158 I159	E158-G161 PolarHBondContact O-N 3.29Å; I159-G161 PolarHBondContact O-N 3.11Å
162	F	98.2	Very high	96.1	Very high	35 Å²	35	36.2 Å²	36.2	15%	0.154	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-82.4	-22.7	176.1	-63.8	-9.7	0	0	0	113.2	S124 I132 K135 A138 I159 Q160	S124-F162 WeakPolarHBondContact O-CZ 3.23Å; I132-F162 HydrophobicContact CG2-CE2 3.84Å; I132-F162 HydrophobicContact CG2-CZ 3.94Å; K135-F162 HydrophobicContact CB-CD2 4.05Å; K135-F162 HydrophobicContact CB-CE2 4.41Å; K135-F162 HydrophobicContact CB-CG 4.14Å; K135-F162 HydrophobicContact CD-CB 3.49Å; K135-F162 VanDerWaalsContact CD-CB 3.49Å; K135-F162 HydrophobicContact CD-CD1 3.84Å; K135-F162 HydrophobicContact CD-CD2 4.43Å; K135-F162 HydrophobicContact CD-CG 3.67Å; K135-F162 HydrophobicContact CG-CG 4.47Å; K135-F162 VanDerWaalsContact NZ-C 3.34Å; K135-F162 VanDerWaalsContact NZ-CA 3.33Å; K135-F162 PolarHBondContact NZ-O 3.2Å; A138-F162 HydrophobicContact CB-CB 3.77Å; I159-F162 HydrophobicContact CB-CD2 4.26Å; I159-F162 HydrophobicContact CB-CE2 4.46Å; I159-F162 HydrophobicContact CG1-CD2 4.32Å; I159-F162 HydrophobicContact CG1-CE2 4.07Å; I159-F162 HydrophobicContact CG2-CD2 4.06Å; I159-F162 WeakPolarHBondContact O-CB 3.44Å; I159-F162 PolarHBondContact O-N 2.95Å; Q160-F162 PolarHBondContact O-N 2.71Å; Q160-F162 VanDerWaalsContact O-N 3.13Å
163	F	98.5	Very high	96	Very high	16 Å²	16	36.2 Å²	36.2	7%	0.07	20%	0.198	C	C	.	.			trans	-96.5	141.4	-177.8	-66.2	-103.8	0	0	0	110.5	L118 A138 L141 L149 I159 Q160 V165 I167	L118-F163 HydrophobicContact CD1-CZ 4.4Å; L118-F163 HydrophobicContact CD2-CE2 4.16Å; L118-F163 HydrophobicContact CD2-CZ 4.06Å; A138-F163 HydrophobicContact CB-CD1 3.88Å; A138-F163 HydrophobicContact CB-CD2 3.61Å; A138-F163 HydrophobicContact CB-CE1 3.71Å; A138-F163 HydrophobicContact CB-CE2 3.46Å; A138-F163 VanDerWaalsContact CB-CE2 3.46Å; A138-F163 HydrophobicContact CB-CG 3.85Å; A138-F163 HydrophobicContact CB-CZ 3.52Å; L141-F163 HydrophobicContact CB-CE1 4.13Å; L141-F163 HydrophobicContact CD1-CE1 3.83Å; L141-F163 HydrophobicContact CD1-CZ 4.14Å; L149-F163 HydrophobicContact CD2-CD1 4.1Å; L149-F163 HydrophobicContact CD2-CE1 3.55Å; L149-F163 HydrophobicContact CD2-CE2 4.09Å; L149-F163 HydrophobicContact CD2-CZ 3.53Å; I159-F163 HydrophobicContact CG2-CE2 4.11Å; Q160-F163 PolarHBondContact O-N 3.21Å; F163-V165 HydrophobicContact CB-CG2 4.11Å; F163-V165 HydrophobicContact CD1-CG2 4.29Å; F163-I167 HydrophobicContact CB-CD1 3.61Å; F163-I167 HydrophobicContact CB-CG1 3.98Å; F163-I167 HydrophobicContact CD1-CD1 4.23Å; F163-I167 HydrophobicContact CD2-CD1 3.1Å; F163-I167 HydrophobicContact CD2-CG1 4.28Å; F163-I167 HydrophobicContact CE2-CD1 3.74Å; F163-I167 HydrophobicContact CG-CD1 3.37Å; F163-I167 HydrophobicContact CG-CG1 4.1Å
164	D	97.9	Very high	95.9	Very high	112 Å²	112	38.2 Å²	38.2	60%	0.599	21%	0.211	S	C	*	.	S	Bend	trans	-89.6	8.1	173.9	-48.2	-46.2	0	0	0	111.3	K139	K139-D164 IonicContact NZ-OD1 3.24Å; K139-D164 PolarHBondContact NZ-OD1 3.44Å; K139-D164 IonicContact NZ-OD2 3.01Å; K139-D164 PolarHBondContact NZ-OD2 2.83Å
165	V	98	Very high	95.8	Very high	29 Å²	29	40.9 Å²	40.9	18%	0.176	22%	0.223	C	C	.	.	S	Bend	trans	-120	153.8	178.3	-62.4	0	0	0	0	109.2	I146 F163	I146-V165 WeakPolarHBondContact O-CG1 3.39Å; F163-V165 HydrophobicContact CB-CG2 4.11Å; F163-V165 HydrophobicContact CD1-CG2 4.29Å
166	P	97.2	Very high	96	Very high	77 Å²	77	37.4 Å²	37.4	50%	0.5	21%	0.207	S	C	.	.			trans	-56.3	146.6	174.4	24.1	-34.9	0	0	0	111.2	N147 H148 L149	N147-P166 WeakPolarHBondContact O-CD 3.26Å; H148-P166 HydrophobicContact CB-CG 4.24Å; H148-P166 PolarHBondContact CD2-O 3.36Å; L149-P166 PolarHBondContact N-O 3.13Å
167	I	96.4	Very high	96.1	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.108	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.5	172.5	-47.2	-176.6	0	0	0	109.2	L149 Q160 F163	L149-I167 HydrophobicContact CB-CG1 4.19Å; L149-I167 HydrophobicContact CB-CG2 4.19Å; L149-I167 HydrophobicContact CD2-CD1 4.07Å; L149-I167 HydrophobicContact CD2-CG1 4.33Å; L149-I167 HydrophobicContact CD2-CG2 4.09Å; L149-I167 HydrophobicContact CG-CG2 4.23Å; L149-I167 CarbonylContact O-C 3.58Å; L149-I167 WeakPolarHBondContact O-CA 3.44Å; Q160-I167 HydrophobicContact CB-CD1 4.24Å; Q160-I167 HydrophobicContact CG-CB 4.33Å; Q160-I167 HydrophobicContact CG-CD1 4.28Å; Q160-I167 HydrophobicContact CG-CG2 4.49Å; F163-I167 HydrophobicContact CB-CD1 3.61Å; F163-I167 HydrophobicContact CB-CG1 3.98Å; F163-I167 HydrophobicContact CD1-CD1 4.23Å; F163-I167 HydrophobicContact CD2-CD1 3.1Å; F163-I167 HydrophobicContact CD2-CG1 4.28Å; F163-I167 HydrophobicContact CE2-CD1 3.74Å; F163-I167 HydrophobicContact CG-CD1 3.37Å; F163-I167 HydrophobicContact CG-CG1 4.1Å
168	D	95.7	Very high	96.3	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.16	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	99.1	164.5	-75.8	-46.6	0	0	0	108.9	H148 L149 I150 T151 L170 I362 M368	H148-D168 IonicContact CE1-OD2 3.53Å; H148-D168 PolarHBondContact CE1-OD2 3.38Å; H148-D168 IonicContact NE2-OD2 2.77Å; H148-D168 PolarHBondContact NE2-OD2 2.94Å; L149-D168 PolarHBondContact O-N 2.75Å; I150-D168 CarbonylContact C-O 3.57Å; I150-D168 WeakPolarHBondContact CA-O 3.45Å; T151-D168 PolarHBondContact N-O 3.44Å; D168-L170 PolarHBondContact O-N 2.73Å; D168-I362 WeakPolarHBondContact OD2-CD1 3.49Å; D168-M368 HydrophobicContact CB-CE 4.04Å
169	N	95.7	Very high	96.5	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	94.8	174.5	177.7	51.6	0	0	0	110.7	T151 D153 L154 R171 F372	T151-N169 WeakPolarHBondContact OG1-CA 3.5Å; T151-N169 PolarHBondContact OG1-OD1 3.23Å; D153-N169 PolarHBondContact N-OD1 3.39Å; D153-N169 VanDerWaalsContact N-OD1 3.16Å; L154-N169 HydrophobicContact CD1-CB 4Å; L154-N169 HydrophobicContact CG-CB 4.36Å; L154-N169 WeakPolarHBondContact CG-OD1 3.34Å; L154-N169 PolarHBondContact N-OD1 2.74Å; N169-R171 VanDerWaalsContact ND2-CZ 3.32Å; N169-R171 PolarHBondContact ND2-NH2 3.39Å; N169-R171 VanDerWaalsContact ND2-NH2 3.18Å; N169-F372 WeakPolarHBondContact O-CE1 3.47Å
170	L	96.1	Very high	96.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	170.7	179.5	-53.3	-179.5	0	0	0	111.9	I150 T151 L152 D153 D168 L354 L355 A358 M368 L371 F372	I150-L170 HydrophobicContact CG2-CD1 3.65Å; I150-L170 HydrophobicContact CG2-CG 3.93Å; T151-L170 WeakPolarHBondContact O-CB 3.48Å; T151-L170 PolarHBondContact O-N 3.11Å; L152-L170 HydrophobicContact CD1-CB 3.54Å; D153-L170 PolarHBondContact N-O 3.33Å; D168-L170 PolarHBondContact O-N 2.73Å; L170-L354 HydrophobicContact CB-CD2 4.26Å; L170-L354 HydrophobicContact CD1-CG 4.08Å; L170-L355 HydrophobicContact CD1-CD2 3.98Å; L170-A358 HydrophobicContact CD1-CB 3.62Å; L170-A358 HydrophobicContact CD2-CB 4.2Å; L170-M368 HydrophobicContact CD2-CE 3.54Å; L170-L371 HydrophobicContact CD2-CD1 4Å; L170-F372 HydrophobicContact CD2-CZ 4.07Å
171	R	94.8	Very high	96.5	Very high	25 Å²	25	36.1 Å²	36.1	9%	0.094	20%	0.198	C	C	.	.			trans	-128.7	126.6	-175.6	-57.7	-64.1	-178.9	179.1	-0.2	112.1	D153 N169 S173 P174 L354 F372 V375 D379	D153-R171 WeakPolarHBondContact OD1-CD 3.39Å; D153-R171 IonicContact OD1-CZ 3Å; D153-R171 IonicContact OD1-NE 3.25Å; D153-R171 IonicContact OD1-NH1 3.98Å; D153-R171 PolarHBondContact OD1-NH1 2.89Å; N169-R171 VanDerWaalsContact ND2-CZ 3.32Å; N169-R171 PolarHBondContact ND2-NH2 3.39Å; N169-R171 VanDerWaalsContact ND2-NH2 3.18Å; R171-S173 VanDerWaalsContact C-N 3.33Å; R171-P174 WeakPolarHBondContact O-CD 3.44Å; R171-L354 WeakPolarHBondContact O-CD2 3.44Å; R171-F372 HydrophobicContact CG-CD1 4.2Å; R171-F372 HydrophobicContact CG-CE1 4.18Å; R171-V375 HydrophobicContact CB-CG1 3.96Å; R171-V375 HydrophobicContact CB-CG2 4.41Å; R171-V375 HydrophobicContact CG-CG1 3.62Å; R171-D379 PolarHBondContact NH1-O 2.48Å
172	A	95.7	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.			trans	-82.5	-14.5	175	0	0	0	0	0	112.8	L152 D153 P174 F175 L176 T308 T331	L152-A172 HydrophobicContact CD1-CB 4.39Å; L152-A172 HydrophobicContact CD2-CB 3.98Å; L152-A172 HydrophobicContact CG-CB 4.27Å; D153-A172 VanDerWaalsContact OD2-CB 3.31Å; D153-A172 WeakPolarHBondContact OD2-CB 3.42Å; D153-A172 PolarHBondContact OD2-N 2.87Å; A172-P174 VanDerWaalsContact C-N 3.33Å; A172-P174 VanDerWaalsContact O-N 3.15Å; A172-F175 WeakPolarHBondContact O-CA 3.21Å; A172-F175 WeakPolarHBondContact O-CB 3.12Å; A172-F175 PolarHBondContact O-N 2.96Å; A172-L176 HydrophobicContact CB-CD1 4.03Å; A172-L176 HydrophobicContact CB-CG 4.35Å; A172-L176 PolarHBondContact O-N 3.01Å; A172-T308 HydrophobicContact CB-CG2 3.55Å; A172-T331 HydrophobicContact CB-CG2 3.79Å
173	S	94.5	Very high	96.5	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-52	-38.2	-173.3	62.6	0	0	0	0	114.7	R171 F175 L176 T177 Y206 R209 D379	R171-S173 VanDerWaalsContact C-N 3.33Å; S173-F175 VanDerWaalsContact C-N 3.3Å; S173-F175 PolarHBondContact O-N 2.99Å; S173-L176 PolarHBondContact O-N 2.93Å; S173-T177 WeakPolarHBondContact O-CB 3.31Å; S173-T177 WeakPolarHBondContact O-CG2 3.07Å; S173-T177 PolarHBondContact O-N 2.54Å; S173-T177 PolarHBondContact O-OG1 3Å; S173-Y206 WeakPolarHBondContact CA-OH 3.46Å; S173-R209 VanDerWaalsContact CB-NH1 3.35Å; S173-R209 PolarHBondContact OG-NH1 3.32Å; S173-D379 VanDerWaalsContact CB-OD2 3.23Å; S173-D379 WeakPolarHBondContact CB-OD2 3.32Å; S173-D379 PolarHBondContact OG-OD2 3.05Å
174	P	92.8	Very high	96.5	Very high	43 Å²	43	41.8 Å²	41.8	28%	0.279	21%	0.209	S	C	.	.	H	α-helix	trans	-62.1	-36.5	175.5	-20.6	35.3	0	0	0	113.7	R171 A172 T177 K178 V375	R171-P174 WeakPolarHBondContact O-CD 3.44Å; A172-P174 VanDerWaalsContact C-N 3.33Å; A172-P174 VanDerWaalsContact O-N 3.15Å; P174-T177 PolarHBondContact O-OG1 2.78Å; P174-K178 WeakPolarHBondContact O-CB 3.37Å; P174-K178 PolarHBondContact O-N 3.3Å; P174-K178 VanDerWaalsContact O-N 3.12Å; P174-V375 HydrophobicContact CG-CG2 3.89Å
175	F	95.9	Very high	96.3	Very high	62 Å²	62	41.2 Å²	41.2	27%	0.272	21%	0.209	S	C	.	.	H	α-helix	trans	-71.6	-42.7	177.6	-70.2	-105	0	0	0	110.7	A172 S173 K178 Y179 V349 L354	A172-F175 WeakPolarHBondContact O-CA 3.21Å; A172-F175 WeakPolarHBondContact O-CB 3.12Å; A172-F175 PolarHBondContact O-N 2.96Å; S173-F175 VanDerWaalsContact C-N 3.3Å; S173-F175 PolarHBondContact O-N 2.99Å; F175-K178 PolarHBondContact O-N 3.22Å; F175-Y179 PolarHBondContact O-N 3.16Å; F175-V349 HydrophobicContact CB-CG1 3.81Å; F175-V349 HydrophobicContact CD1-CG1 4.38Å; F175-L354 HydrophobicContact CD2-CD2 4.46Å; F175-L354 HydrophobicContact CE2-CB 3.83Å; F175-L354 HydrophobicContact CE2-CD1 4.44Å; F175-L354 HydrophobicContact CE2-CD2 4.04Å; F175-L354 HydrophobicContact CE2-CG 4.32Å; F175-L354 HydrophobicContact CZ-CB 3.87Å
176	L	97.5	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-71.5	-40.2	-179.6	-63.7	175.7	0	0	0	112.6	A172 S173 K178 Y179 I180 Y206 I306 V329 T331 V349	A172-L176 HydrophobicContact CB-CD1 4.03Å; A172-L176 HydrophobicContact CB-CG 4.35Å; A172-L176 PolarHBondContact O-N 3.01Å; S173-L176 PolarHBondContact O-N 2.93Å; L176-K178 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 2.92Å; L176-Y179 WeakPolarHBondContact O-CB 3.44Å; L176-Y179 PolarHBondContact O-N 3.49Å; L176-I180 WeakPolarHBondContact O-CG1 3.23Å; L176-I180 PolarHBondContact O-N 2.98Å; L176-Y206 HydrophobicContact CB-CE1 4.03Å; L176-Y206 VanDerWaalsContact CD1-OH 3.26Å; L176-Y206 WeakPolarHBondContact CD1-OH 3.41Å; L176-I306 HydrophobicContact CB-CG2 4.09Å; L176-I306 HydrophobicContact CD1-CG2 4.12Å; L176-I306 HydrophobicContact CD2-CG2 3.88Å; L176-I306 HydrophobicContact CG-CG2 4.24Å; L176-V329 HydrophobicContact CD2-CG1 4.36Å; L176-T331 HydrophobicContact CD1-CG2 4.43Å; L176-T331 HydrophobicContact CD2-CG2 4.07Å; L176-T331 HydrophobicContact CG-CG2 4.39Å; L176-V349 HydrophobicContact CD2-CB 4.32Å; L176-V349 HydrophobicContact CD2-CG2 4.06Å
177	T	95.6	Very high	96.1	Very high	11 Å²	11	42 Å²	42	7%	0.067	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-41.5	172.4	56.3	0	0	0	0	110.9	S173 P174 Y179 I180 E181 Y206 R209 L210	S173-T177 WeakPolarHBondContact O-CB 3.31Å; S173-T177 WeakPolarHBondContact O-CG2 3.07Å; S173-T177 PolarHBondContact O-N 2.54Å; S173-T177 PolarHBondContact O-OG1 3Å; P174-T177 PolarHBondContact O-OG1 2.78Å; T177-Y179 VanDerWaalsContact C-N 3.27Å; T177-Y179 PolarHBondContact O-N 2.75Å; T177-I180 WeakPolarHBondContact O-CB 3.44Å; T177-I180 PolarHBondContact O-N 3Å; T177-E181 WeakPolarHBondContact O-CG 3.15Å; T177-E181 PolarHBondContact O-N 3.34Å; T177-E181 VanDerWaalsContact O-N 3.07Å; T177-Y206 HydrophobicContact CG2-CD1 3.89Å; T177-Y206 HydrophobicContact CG2-CE1 4.02Å; T177-R209 PolarHBondContact OG1-NH2 3.03Å; T177-L210 HydrophobicContact CG2-CD1 4.46Å; T177-L210 HydrophobicContact CG2-CD2 4.42Å; T177-L210 HydrophobicContact CG2-CG 4.32Å
178	K	95.8	Very high	96.2	Very high	124 Å²	124	48.4 Å²	48.4	54%	0.539	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-37	176.7	-178.4	58.2	-179.3	168	0	111.5	P174 F175 L176 E181 T182	P174-K178 WeakPolarHBondContact O-CB 3.37Å; P174-K178 PolarHBondContact O-N 3.3Å; P174-K178 VanDerWaalsContact O-N 3.12Å; F175-K178 PolarHBondContact O-N 3.22Å; L176-K178 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 2.92Å; K178-E181 PolarHBondContact O-N 3.11Å; K178-T182 WeakPolarHBondContact CE-OG1 3.42Å; K178-T182 VanDerWaalsContact O-CB 3.26Å; K178-T182 WeakPolarHBondContact O-CB 3.24Å; K178-T182 PolarHBondContact O-N 3.07Å; K178-T182 VanDerWaalsContact O-N 3.07Å; K178-T182 PolarHBondContact O-OG1 3.36Å
179	Y	97.9	Very high	96.2	Very high	26 Å²	26	49.4 Å²	49.4	10%	0.102	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-50.9	173.7	-174.9	-84	0	0	0	111.3	F175 L176 T177 E181 T182 Y183 E327 V329 R347 V349	F175-Y179 PolarHBondContact O-N 3.16Å; L176-Y179 WeakPolarHBondContact O-CB 3.44Å; L176-Y179 PolarHBondContact O-N 3.49Å; T177-Y179 VanDerWaalsContact C-N 3.27Å; T177-Y179 PolarHBondContact O-N 2.75Å; Y179-E181 VanDerWaalsContact C-N 3.35Å; Y179-E181 PolarHBondContact O-N 2.85Å; Y179-T182 PolarHBondContact O-N 3.41Å; Y179-T182 VanDerWaalsContact O-N 3.12Å; Y179-Y183 HydrophobicContact CD1-CD2 4.3Å; Y179-Y183 AromaticContact CD2-CD2 3.34Å; Y179-Y183 HydrophobicContact CD2-CD2 3.34Å; Y179-Y183 AromaticContact CD2-CE2 3.73Å; Y179-Y183 HydrophobicContact CD2-CE2 3.73Å; Y179-Y183 HydrophobicContact CD2-CG 4.26Å; Y179-Y183 HydrophobicContact CE1-CD2 4.38Å; Y179-Y183 AromaticContact CE2-CD2 3.46Å; Y179-Y183 HydrophobicContact CE2-CD2 3.46Å; Y179-Y183 VanDerWaalsContact CE2-CD2 3.46Å; Y179-Y183 AromaticContact CE2-CE2 3.93Å; Y179-Y183 HydrophobicContact CE2-CE2 3.93Å; Y179-Y183 AromaticContact CE2-CG 3.98Å; Y179-Y183 HydrophobicContact CE2-CG 3.98Å; Y179-Y183 AromaticContact CG-CD2 3.8Å; Y179-Y183 HydrophobicContact CG-CD2 3.8Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.39Å; Y179-Y183 PolarHBondContact O-N 3.44Å; Y179-E327 WeakPolarHBondContact CE1-OE1 3.41Å; Y179-E327 PolarHBondContact OH-OE1 3.4Å; Y179-V329 HydrophobicContact CD1-CB 4.41Å; Y179-V329 HydrophobicContact CD1-CG1 3.74Å; Y179-V329 HydrophobicContact CD1-CG2 3.94Å; Y179-V329 HydrophobicContact CD2-CG1 4.16Å; Y179-V329 HydrophobicContact CE1-CB 4.18Å; Y179-V329 HydrophobicContact CE1-CG1 3.75Å; Y179-V329 HydrophobicContact CE1-CG2 3.33Å; Y179-V329 HydrophobicContact CE2-CG1 4.15Å; Y179-V329 HydrophobicContact CG-CG1 3.96Å; Y179-R347 WeakPolarHBondContact OH-CG 3.49Å; Y179-V349 HydrophobicContact CD2-CG2 3.56Å; Y179-V349 HydrophobicContact CE2-CG2 4.2Å; Y179-V349 HydrophobicContact CG-CG2 4.02Å
180	I	98.4	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-53.5	-52.6	178.1	-67.2	163.3	0	0	0	110.5	L176 T177 T182 I184 Y187 Y206 L210 I276 I306	L176-I180 WeakPolarHBondContact O-CG1 3.23Å; L176-I180 PolarHBondContact O-N 2.98Å; T177-I180 WeakPolarHBondContact O-CB 3.44Å; T177-I180 PolarHBondContact O-N 3Å; I180-T182 PolarHBondContact O-N 3.04Å; I180-I184 HydrophobicContact CB-CD1 4.35Å; I180-I184 HydrophobicContact CG1-CD1 4.11Å; I180-I184 HydrophobicContact CG2-CD1 4.2Å; I180-I184 WeakPolarHBondContact O-CB 3.44Å; I180-I184 PolarHBondContact O-N 2.9Å; I180-I184 VanDerWaalsContact O-N 3.08Å; I180-Y187 HydrophobicContact CG2-CD2 4.19Å; I180-Y187 HydrophobicContact CG2-CG 4.3Å; I180-Y206 HydrophobicContact CD1-CD1 4.25Å; I180-L210 HydrophobicContact CB-CD1 4.45Å; I180-L210 HydrophobicContact CD1-CD1 3.64Å; I180-L210 HydrophobicContact CG2-CD1 4.08Å; I180-L210 HydrophobicContact CG2-CD2 4.36Å; I180-I276 HydrophobicContact CD1-CG2 4.34Å; I180-I276 HydrophobicContact CG2-CD1 3.85Å; I180-I306 HydrophobicContact CD1-CD1 3.67Å; I180-I306 HydrophobicContact CG1-CD1 3.35Å
181	E	97.4	Very high	96.5	Very high	79 Å²	79	49.2 Å²	49.2	37%	0.369	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-27.2	-177.9	-65	-174.7	128.9	0	0	113.8	T177 K178 Y179 Y187 L210	T177-E181 WeakPolarHBondContact O-CG 3.15Å; T177-E181 PolarHBondContact O-N 3.34Å; T177-E181 VanDerWaalsContact O-N 3.07Å; K178-E181 PolarHBondContact O-N 3.11Å; Y179-E181 VanDerWaalsContact C-N 3.35Å; Y179-E181 PolarHBondContact O-N 2.85Å; E181-Y187 HydrophobicContact CB-CE1 4.26Å; E181-Y187 HydrophobicContact CG-CD2 4.48Å; E181-Y187 HydrophobicContact CG-CE1 4.36Å; E181-Y187 HydrophobicContact CG-CE2 3.87Å; E181-Y187 PolarHBondContact OE1-OH 2.91Å; E181-L210 HydrophobicContact CG-CD2 3.71Å
182	T	97.8	Very high	96.6	Very high	73 Å²	73	48 Å²	48	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-94.4	-38.7	-172.8	-52.1	0	0	0	0	112.3	K178 Y179 I180	K178-T182 WeakPolarHBondContact CE-OG1 3.42Å; K178-T182 VanDerWaalsContact O-CB 3.26Å; K178-T182 WeakPolarHBondContact O-CB 3.24Å; K178-T182 PolarHBondContact O-N 3.07Å; K178-T182 VanDerWaalsContact O-N 3.07Å; K178-T182 PolarHBondContact O-OG1 3.36Å; Y179-T182 PolarHBondContact O-N 3.41Å; Y179-T182 VanDerWaalsContact O-N 3.12Å; I180-T182 PolarHBondContact O-N 3.04Å
183	Y	97.8	Very high	96.8	Very high	154 Å²	154	48 Å²	48	60%	0.604	23%	0.229	S	C	*	.	H	α-helix	trans	-111	-24.2	-169.4	-64.1	-74.8	0	0	0	113.9	Y179 T185	Y179-Y183 HydrophobicContact CD1-CD2 4.3Å; Y179-Y183 AromaticContact CD2-CD2 3.34Å; Y179-Y183 HydrophobicContact CD2-CD2 3.34Å; Y179-Y183 AromaticContact CD2-CE2 3.73Å; Y179-Y183 HydrophobicContact CD2-CE2 3.73Å; Y179-Y183 HydrophobicContact CD2-CG 4.26Å; Y179-Y183 HydrophobicContact CE1-CD2 4.38Å; Y179-Y183 AromaticContact CE2-CD2 3.46Å; Y179-Y183 HydrophobicContact CE2-CD2 3.46Å; Y179-Y183 VanDerWaalsContact CE2-CD2 3.46Å; Y179-Y183 AromaticContact CE2-CE2 3.93Å; Y179-Y183 HydrophobicContact CE2-CE2 3.93Å; Y179-Y183 AromaticContact CE2-CG 3.98Å; Y179-Y183 HydrophobicContact CE2-CG 3.98Å; Y179-Y183 AromaticContact CG-CD2 3.8Å; Y179-Y183 HydrophobicContact CG-CD2 3.8Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.39Å; Y179-Y183 PolarHBondContact O-N 3.44Å; Y183-T185 PolarHBondContact O-N 3.24Å
184	I	96.9	Very high	96.9	Very high	5 Å²	5	48 Å²	48	3%	0.026	23%	0.229	C	C	.	.	S	Bend	trans	-86.6	101.1	175.5	-56.7	-177	0	0	0	108.5	I180 D186 Y187 I274 I276 F304 I306	I180-I184 HydrophobicContact CB-CD1 4.35Å; I180-I184 HydrophobicContact CG1-CD1 4.11Å; I180-I184 HydrophobicContact CG2-CD1 4.2Å; I180-I184 WeakPolarHBondContact O-CB 3.44Å; I180-I184 PolarHBondContact O-N 2.9Å; I180-I184 VanDerWaalsContact O-N 3.08Å; I184-D186 PolarHBondContact O-N 3.42Å; I184-Y187 WeakPolarHBondContact O-CB 3.07Å; I184-Y187 PolarHBondContact O-N 2.75Å; I184-I274 HydrophobicContact CG2-CD1 3.97Å; I184-I274 HydrophobicContact CG2-CG2 4.31Å; I184-I276 HydrophobicContact CD1-CD1 3.82Å; I184-I276 HydrophobicContact CD1-CG1 4.3Å; I184-F304 HydrophobicContact CD1-CB 4.24Å; I184-F304 HydrophobicContact CD1-CD1 3.66Å; I184-F304 HydrophobicContact CD1-CD2 3.99Å; I184-F304 HydrophobicContact CD1-CE1 3.99Å; I184-F304 HydrophobicContact CD1-CE2 4.27Å; I184-F304 HydrophobicContact CD1-CG 3.69Å; I184-F304 HydrophobicContact CD1-CZ 4.28Å; I184-F304 HydrophobicContact CG1-CD1 4.06Å; I184-F304 HydrophobicContact CG1-CE1 3.87Å; I184-F304 HydrophobicContact CG1-CE2 4.42Å; I184-F304 HydrophobicContact CG1-CG 4.45Å; I184-F304 HydrophobicContact CG1-CZ 4.06Å; I184-F304 HydrophobicContact CG2-CD2 4.43Å; I184-F304 HydrophobicContact CG2-CE2 3.91Å; I184-F304 HydrophobicContact CG2-CZ 4.08Å; I184-I306 HydrophobicContact CD1-CD1 4.27Å
185	T	93.9	Very high	96.9	Very high	99 Å²	99	47.2 Å²	47.2	61%	0.607	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.9	172.9	56.8	0	0	0	0	110.1	Y183 Y187 I274	Y183-T185 PolarHBondContact O-N 3.24Å; T185-Y187 PolarHBondContact O-N 3.12Å; T185-I274 VanDerWaalsContact O-CD1 3.3Å; T185-I274 WeakPolarHBondContact O-CD1 3.2Å
186	D	94.7	Very high	96.7	Very high	92 Å²	92	45.1 Å²	45.1	49%	0.492	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	31	-178	-164.2	30.1	0	0	0	113.9	I184 R188 N189 I274	I184-D186 PolarHBondContact O-N 3.42Å; D186-R188 PolarHBondContact O-N 2.65Å; D186-N189 PolarHBondContact O-N 3.04Å; D186-N189 VanDerWaalsContact OD2-CB 3.26Å; D186-N189 WeakPolarHBondContact OD2-CB 3.44Å; D186-I274 HydrophobicContact CB-CD1 4.49Å
187	Y	97.4	Very high	96.3	Very high	32 Å²	32	49 Å²	49	13%	0.125	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-55.9	-20.4	176.6	82.7	-85.1	0	0	0	113.6	I180 E181 I184 T185 N189 A190 L210 L212	I180-Y187 HydrophobicContact CG2-CD2 4.19Å; I180-Y187 HydrophobicContact CG2-CG 4.3Å; E181-Y187 HydrophobicContact CB-CE1 4.26Å; E181-Y187 HydrophobicContact CG-CD2 4.48Å; E181-Y187 HydrophobicContact CG-CE1 4.36Å; E181-Y187 HydrophobicContact CG-CE2 3.87Å; E181-Y187 PolarHBondContact OE1-OH 2.91Å; I184-Y187 WeakPolarHBondContact O-CB 3.07Å; I184-Y187 PolarHBondContact O-N 2.75Å; T185-Y187 PolarHBondContact O-N 3.12Å; Y187-N189 PolarHBondContact O-N 3.39Å; Y187-A190 WeakPolarHBondContact O-CB 3.39Å; Y187-A190 PolarHBondContact O-N 2.92Å; Y187-L210 HydrophobicContact CE2-CD2 4.43Å; Y187-L212 HydrophobicContact CD2-CD1 4.49Å; Y187-L212 VanDerWaalsContact O-CD2 3.31Å; Y187-L212 WeakPolarHBondContact O-CD2 3.43Å
188	R	97.3	Very high	95.9	Very high	154 Å²	154	51.5 Å²	51.5	58%	0.581	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-66.9	-24.8	175.2	-69.2	-73.7	179.9	165.9	-2.7	112.8	D186 A190	D186-R188 PolarHBondContact O-N 2.65Å; R188-A190 VanDerWaalsContact C-N 3.27Å
189	N	96.8	Very high	95.8	Very high	52 Å²	52	46.2 Å²	46.2	28%	0.278	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-89.6	10.9	169.7	-171.7	37	0	0	0	112.3	D186 Y187 S272 R273 I274	D186-N189 PolarHBondContact O-N 3.04Å; D186-N189 VanDerWaalsContact OD2-CB 3.26Å; D186-N189 WeakPolarHBondContact OD2-CB 3.44Å; Y187-N189 PolarHBondContact O-N 3.39Å; N189-S272 PolarHBondContact ND2-O 2.79Å; N189-S272 VanDerWaalsContact ND2-O 3.16Å; N189-R273 WeakPolarHBondContact O-CB 3.37Å; N189-I274 PolarHBondContact O-N 2.79Å
190	A	98.4	Very high	95.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	161.4	176.8	0	0	0	0	0	112.6	Y187 R188 L212 I274 I276	Y187-A190 WeakPolarHBondContact O-CB 3.39Å; Y187-A190 PolarHBondContact O-N 2.92Å; R188-A190 VanDerWaalsContact C-N 3.27Å; A190-L212 HydrophobicContact CB-CD1 4.04Å; A190-I274 CarbonylContact C-O 3.59Å; A190-I274 WeakPolarHBondContact CA-O 3.45Å; A190-I274 HydrophobicContact CB-CB 3.79Å; A190-I274 HydrophobicContact CB-CG2 4.18Å; A190-I274 WeakPolarHBondContact CB-O 3.26Å; A190-I276 HydrophobicContact CB-CD1 3.64Å; A190-I276 HydrophobicContact CB-CG1 4.1Å
191	V	98.5	Very high	95.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.1	169.2	-65.6	0	0	0	0	108.9	V193 P213 V215 V270 R273 I274 I276	V191-V193 HydrophobicContact CG2-CG2 4.42Å; V191-P213 HydrophobicContact CG1-CB 4.05Å; V191-P213 HydrophobicContact CG1-CG 4.24Å; V191-V215 HydrophobicContact CB-CG2 4.11Å; V191-V215 HydrophobicContact CG2-CG2 4.19Å; V191-V270 HydrophobicContact CG2-CB 4.39Å; V191-V270 HydrophobicContact CG2-CG1 3.91Å; V191-R273 HydrophobicContact CG1-CB 4.45Å; V191-R273 VanDerWaalsContact CG1-CD 3.43Å; V191-R273 HydrophobicContact CG2-CB 4.41Å; V191-I274 PolarHBondContact N-O 2.88Å; V191-I276 PolarHBondContact O-N 3.31Å
192	I	98.6	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.3	175.1	-60.8	-56.2	0	0	0	108.2	A203 A207 L210 L212 P213 L214 V215 I276 I278	I192-A203 HydrophobicContact CG2-CB 3.98Å; I192-A203 VanDerWaalsContact CG2-O 3.29Å; I192-A203 WeakPolarHBondContact CG2-O 3.46Å; I192-A207 HydrophobicContact CB-CB 3.98Å; I192-A207 HydrophobicContact CG1-CB 4Å; I192-A207 HydrophobicContact CG2-CB 4.39Å; I192-L210 HydrophobicContact CD1-CD1 3.96Å; I192-L212 HydrophobicContact CD1-CD1 4.04Å; I192-L212 HydrophobicContact CG1-CB 4.11Å; I192-L212 HydrophobicContact CG1-CD1 4.2Å; I192-P213 PolarHBondContact N-O 2.61Å; I192-L214 HydrophobicContact CB-CD1 4.39Å; I192-L214 HydrophobicContact CG2-CD1 4.08Å; I192-L214 CarbonylContact O-C 3.53Å; I192-L214 WeakPolarHBondContact O-CA 3.13Å; I192-V215 PolarHBondContact O-N 3.4Å; I192-I276 CarbonylContact C-O 3.58Å; I192-I276 HydrophobicContact CD1-CB 4.04Å; I192-I276 HydrophobicContact CD1-CD1 4.37Å; I192-I276 HydrophobicContact CD1-CG2 4.27Å; I192-I278 HydrophobicContact CD1-CG1 4.4Å; I192-I278 HydrophobicContact CG2-CB 4.47Å; I192-I278 HydrophobicContact CG2-CG1 3.67Å
193	V	98.5	Very high	95.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.3	-176.5	-174.3	0	0	0	0	110.1	V191 V215 I217 A275 I276 I277 I278 L295	V191-V193 HydrophobicContact CG2-CG2 4.42Å; V193-V215 CarbonylContact C-O 3.42Å; V193-V215 WeakPolarHBondContact CA-O 3.29Å; V193-V215 HydrophobicContact CG2-CB 4.33Å; V193-I217 HydrophobicContact CG1-CD1 3.96Å; V193-I217 HydrophobicContact CG1-CG1 4.15Å; V193-A275 HydrophobicContact CG2-CB 3.96Å; V193-I276 PolarHBondContact N-O 2.94Å; V193-I277 HydrophobicContact CB-CG1 4Å; V193-I277 HydrophobicContact CG1-CG1 4.2Å; V193-I277 WeakPolarHBondContact O-CA 3.24Å; V193-I278 PolarHBondContact O-N 3.3Å; V193-I278 VanDerWaalsContact O-N 3.08Å; V193-L295 HydrophobicContact CG1-CD1 4.31Å; V193-L295 HydrophobicContact CG1-CD2 4.24Å; V193-L295 HydrophobicContact CG2-CD1 4.32Å; V193-L295 HydrophobicContact CG2-CD2 4.01Å
194	A	97.4	Very high	95	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119	165.1	0	0	0	0	0	109	N196 V200 A203 L214 V215 V216 I217	A194-N196 PolarHBondContact O-N 3.14Å; A194-V200 HydrophobicContact CB-CB 4.4Å; A194-V200 HydrophobicContact CB-CG2 3.64Å; A194-A203 HydrophobicContact CB-CB 3.69Å; A194-L214 HydrophobicContact CB-CD1 4.46Å; A194-V215 PolarHBondContact N-O 2.55Å; A194-V216 HydrophobicContact CB-CG1 4.35Å; A194-V216 HydrophobicContact CB-CG2 4.28Å; A194-I217 PolarHBondContact O-N 3.15Å
195	R	93.4	Very high	94.9	Very high	28 Å²	28	38.7 Å²	38.7	11%	0.106	22%	0.222	C	C	.	.	S	Bend	trans	-65	-25	-178.6	-171.5	174	56.8	67.5	10	113.4	I217 E220 I277 D279 A291	R195-I217 WeakPolarHBondContact O-CB 3.42Å; R195-E220 IonicContact CZ-OE1 2.74Å; R195-E220 IonicContact NH1-OE1 3.6Å; R195-E220 PolarHBondContact NH1-OE1 3.05Å; R195-I277 HydrophobicContact CB-CG2 4.33Å; R195-D279 IonicContact CZ-OD2 2.85Å; R195-D279 IonicContact NE-OD2 3.92Å; R195-D279 PolarHBondContact NE-OD2 3.34Å; R195-D279 IonicContact NH2-OD2 3.78Å; R195-D279 PolarHBondContact NH2-OD2 3.04Å; R195-A291 HydrophobicContact CG-CB 4.22Å
196	N	90.7	Very high	95	Very high	18 Å²	18	34.1 Å²	34.1	10%	0.096	19%	0.194	C	C	.	.	S	Bend	trans	-155.4	167.2	173.9	65.3	63.9	0	0	0	111.1	A194 G198 V199 I217 E220	A194-N196 PolarHBondContact O-N 3.14Å; N196-G198 PolarHBondContact O-N 3.24Å; N196-G198 VanDerWaalsContact O-N 3.13Å; N196-G198 VanDerWaalsContact OD1-CA 3.27Å; N196-G198 WeakPolarHBondContact OD1-CA 3.38Å; N196-G198 PolarHBondContact OD1-N 3.24Å; N196-V199 PolarHBondContact O-N 3.1Å; N196-V199 VanDerWaalsContact O-N 3.11Å; N196-V199 PolarHBondContact OD1-N 3.08Å; N196-I217 WeakPolarHBondContact CA-O 3.36Å; N196-E220 HydrophobicContact CB-CG 3.92Å; N196-E220 VanDerWaalsContact CB-OE1 3.28Å; N196-E220 WeakPolarHBondContact CB-OE1 3.22Å; N196-E220 PolarHBondContact ND2-OE1 3.06Å
197	P	89.3	Confident	95.1	Very high	81 Å²	81	30 Å²	30	53%	0.526	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.8	178.5	-28.7	37.2	0	0	0	115.5	V199 V200	P197-V199 VanDerWaalsContact C-N 3.33Å; P197-V200 WeakPolarHBondContact O-CB 3.17Å; P197-V200 PolarHBondContact O-N 3.28Å
198	G	87.7	Confident	95	Very high	64 Å²	64	35.3 Å²	35.3	66%	0.66	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-26.2	179	0	0	0	0	0	113.7	N196	N196-G198 PolarHBondContact O-N 3.24Å; N196-G198 VanDerWaalsContact O-N 3.13Å; N196-G198 VanDerWaalsContact OD1-CA 3.27Å; N196-G198 WeakPolarHBondContact OD1-CA 3.38Å; N196-G198 PolarHBondContact OD1-N 3.24Å
199	V	92	Very high	94.8	Very high	12 Å²	12	31.1 Å²	31.1	7%	0.073	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.2	179.5	-172.1	0	0	0	0	112	N196 P197 P201 R202 A203 I278	N196-V199 PolarHBondContact O-N 3.1Å; N196-V199 VanDerWaalsContact O-N 3.11Å; N196-V199 PolarHBondContact OD1-N 3.08Å; P197-V199 VanDerWaalsContact C-N 3.33Å; V199-P201 VanDerWaalsContact C-CD 3.49Å; V199-R202 PolarHBondContact O-N 3.32Å; V199-R202 VanDerWaalsContact O-N 3.17Å; V199-A203 PolarHBondContact O-N 3.16Å; V199-I278 WeakPolarHBondContact CG1-O 3.36Å
200	V	95	Very high	94.8	Very high	38 Å²	38	28.9 Å²	28.9	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-51.7	-44.6	-178.5	168.9	0	0	0	0	113.9	A194 P197 R202 A203 S204 L214 V216	A194-V200 HydrophobicContact CB-CB 4.4Å; A194-V200 HydrophobicContact CB-CG2 3.64Å; P197-V200 WeakPolarHBondContact O-CB 3.17Å; P197-V200 PolarHBondContact O-N 3.28Å; V200-R202 VanDerWaalsContact C-N 3.32Å; V200-R202 PolarHBondContact O-N 3.03Å; V200-A203 PolarHBondContact O-N 2.93Å; V200-S204 WeakPolarHBondContact O-CB 3.28Å; V200-S204 PolarHBondContact O-N 3.36Å; V200-L214 HydrophobicContact CG1-CD2 4.23Å; V200-V216 HydrophobicContact CG2-CB 4.35Å; V200-V216 HydrophobicContact CG2-CG1 3.63Å; V200-V216 HydrophobicContact CG2-CG2 3.72Å
201	P	93.5	Very high	94.7	Very high	63 Å²	63	38.8 Å²	38.8	41%	0.409	21%	0.208	S	C	.	.	H	α-helix	trans	-56.6	-44.8	179.7	-26.5	35.9	0	0	0	113	V199 S205 D378	V199-P201 VanDerWaalsContact C-CD 3.49Å; P201-S205 PolarHBondContact O-N 2.71Å; P201-S205 VanDerWaalsContact O-N 3.15Å; P201-D378 HydrophobicContact CB-CB 4.17Å
202	R	93.8	Very high	94.7	Very high	22 Å²	22	39.4 Å²	39.4	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-50.3	177.1	-178.4	179.7	-59.1	127	-0.5	111.6	V199 V200 S204 S205 Y206 I278 D279 D280 D379	V199-R202 PolarHBondContact O-N 3.32Å; V199-R202 VanDerWaalsContact O-N 3.17Å; V200-R202 VanDerWaalsContact C-N 3.32Å; V200-R202 PolarHBondContact O-N 3.03Å; R202-S204 VanDerWaalsContact C-N 3.26Å; R202-S204 PolarHBondContact O-N 3.25Å; R202-S205 WeakPolarHBondContact O-CB 3.11Å; R202-S205 PolarHBondContact O-N 3.44Å; R202-S205 VanDerWaalsContact O-N 3.1Å; R202-Y206 HydrophobicContact CG-CD2 4.25Å; R202-Y206 HydrophobicContact CG-CE2 4.09Å; R202-Y206 WeakPolarHBondContact O-CD2 3.34Å; R202-Y206 PolarHBondContact O-N 3.18Å; R202-Y206 VanDerWaalsContact O-N 3.13Å; R202-I278 HydrophobicContact CG-CG2 4.04Å; R202-D279 IonicContact NH1-OD1 2.88Å; R202-D280 IonicContact CZ-OD1 3.68Å; R202-D280 IonicContact NH1-OD1 3.41Å; R202-D280 PolarHBondContact NH1-OD1 3.04Å; R202-D280 IonicContact NH2-OD1 2.9Å; R202-D280 IonicContact NH2-OD2 3.45Å; R202-D379 WeakPolarHBondContact CG-OXT 3.25Å; R202-D379 PolarHBondContact NE-OXT 3.01Å
203	A	96.2	Very high	94.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-39.1	179.9	0	0	0	0	0	111.7	I192 A194 V199 V200 S205 Y206 A207 L214 I278	I192-A203 HydrophobicContact CG2-CB 3.98Å; I192-A203 VanDerWaalsContact CG2-O 3.29Å; I192-A203 WeakPolarHBondContact CG2-O 3.46Å; A194-A203 HydrophobicContact CB-CB 3.69Å; V199-A203 PolarHBondContact O-N 3.16Å; V200-A203 PolarHBondContact O-N 2.93Å; A203-S205 VanDerWaalsContact C-N 3.33Å; A203-S205 PolarHBondContact O-N 2.72Å; A203-Y206 PolarHBondContact O-N 2.66Å; A203-A207 WeakPolarHBondContact O-CB 3.32Å; A203-A207 PolarHBondContact O-N 2.91Å; A203-L214 HydrophobicContact CB-CD1 3.73Å; A203-I278 HydrophobicContact CB-CB 4.37Å
204	S	95.8	Very high	94.6	Very high	52 Å²	52	45.1 Å²	45.1	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-40.8	174.9	-171.2	0	0	0	0	112	V200 R202 A207 E208	V200-S204 WeakPolarHBondContact O-CB 3.28Å; V200-S204 PolarHBondContact O-N 3.36Å; R202-S204 VanDerWaalsContact C-N 3.26Å; R202-S204 PolarHBondContact O-N 3.25Å; S204-A207 WeakPolarHBondContact O-CB 3.37Å; S204-A207 PolarHBondContact O-N 3.38Å; S204-E208 WeakPolarHBondContact O-CB 3.32Å; S204-E208 PolarHBondContact O-N 2.98Å
205	S	93.8	Very high	94.6	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-41.4	176.4	-179.1	0	0	0	0	112.1	P201 R202 A203 E208 R209 P376 D379	P201-S205 PolarHBondContact O-N 2.71Å; P201-S205 VanDerWaalsContact O-N 3.15Å; R202-S205 WeakPolarHBondContact O-CB 3.11Å; R202-S205 PolarHBondContact O-N 3.44Å; R202-S205 VanDerWaalsContact O-N 3.1Å; A203-S205 VanDerWaalsContact C-N 3.33Å; A203-S205 PolarHBondContact O-N 2.72Å; S205-E208 PolarHBondContact O-N 3.44Å; S205-R209 VanDerWaalsContact O-CG 3.3Å; S205-R209 WeakPolarHBondContact O-CG 3.39Å; S205-R209 PolarHBondContact O-N 3.25Å; S205-R209 VanDerWaalsContact O-N 3.09Å; S205-P376 WeakPolarHBondContact OG-CB 3.16Å; S205-P376 VanDerWaalsContact OG-CG 3.24Å; S205-P376 WeakPolarHBondContact OG-CG 3.46Å; S205-D379 WeakPolarHBondContact CB-OD1 3.41Å; S205-D379 PolarHBondContact OG-OD1 3.27Å
206	Y	96.7	Very high	94.8	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.012	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-44.6	171.8	-85.1	-112.1	0	0	0	111.9	S173 L176 T177 I180 R202 A203 E208 R209 L210 I278	S173-Y206 WeakPolarHBondContact CA-OH 3.46Å; L176-Y206 HydrophobicContact CB-CE1 4.03Å; L176-Y206 VanDerWaalsContact CD1-OH 3.26Å; L176-Y206 WeakPolarHBondContact CD1-OH 3.41Å; T177-Y206 HydrophobicContact CG2-CD1 3.89Å; T177-Y206 HydrophobicContact CG2-CE1 4.02Å; I180-Y206 HydrophobicContact CD1-CD1 4.25Å; R202-Y206 HydrophobicContact CG-CD2 4.25Å; R202-Y206 HydrophobicContact CG-CE2 4.09Å; R202-Y206 WeakPolarHBondContact O-CD2 3.34Å; R202-Y206 PolarHBondContact O-N 3.18Å; R202-Y206 VanDerWaalsContact O-N 3.13Å; A203-Y206 PolarHBondContact O-N 2.66Å; Y206-E208 PolarHBondContact O-N 3.1Å; Y206-R209 PolarHBondContact O-N 3.43Å; Y206-L210 WeakPolarHBondContact O-CB 2.96Å; Y206-L210 WeakPolarHBondContact O-CG 2.83Å; Y206-L210 PolarHBondContact O-N 2.86Å; Y206-I278 HydrophobicContact CD1-CD1 3.71Å; Y206-I278 HydrophobicContact CD1-CG1 4.11Å; Y206-I278 HydrophobicContact CD1-CG2 4.34Å; Y206-I278 HydrophobicContact CD2-CG2 3.85Å; Y206-I278 HydrophobicContact CE1-CD1 4.02Å; Y206-I278 HydrophobicContact CE1-CG2 4.42Å; Y206-I278 HydrophobicContact CE2-CG2 3.92Å; Y206-I278 HydrophobicContact CG-CD1 4.24Å; Y206-I278 HydrophobicContact CG-CG1 4.12Å; Y206-I278 HydrophobicContact CG-CG2 4.05Å
207	A	96.9	Very high	94.9	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-44	179	0	0	0	0	0	111.9	I192 A203 S204 R211 L212 L214	I192-A207 HydrophobicContact CB-CB 3.98Å; I192-A207 HydrophobicContact CG1-CB 4Å; I192-A207 HydrophobicContact CG2-CB 4.39Å; A203-A207 WeakPolarHBondContact O-CB 3.32Å; A203-A207 PolarHBondContact O-N 2.91Å; S204-A207 WeakPolarHBondContact O-CB 3.37Å; S204-A207 PolarHBondContact O-N 3.38Å; A207-R211 CarbonylContact O-C 3.51Å; A207-R211 VanDerWaalsContact O-CA 3.27Å; A207-R211 WeakPolarHBondContact O-CA 3.36Å; A207-R211 PolarHBondContact O-N 2.91Å; A207-L212 WeakPolarHBondContact CB-O 3.48Å; A207-L212 PolarHBondContact O-N 2.9Å; A207-L214 HydrophobicContact CB-CB 4.15Å
208	E	95.2	Very high	94.7	Very high	142 Å²	142	44.5 Å²	44.5	66%	0.664	24%	0.238	S	C	*	.	H	α-helix	trans	-63.1	-48.2	177	-173.5	179.7	174	0	0	111.7	S204 S205 Y206 L210 R211	S204-E208 WeakPolarHBondContact O-CB 3.32Å; S204-E208 PolarHBondContact O-N 2.98Å; S205-E208 PolarHBondContact O-N 3.44Å; Y206-E208 PolarHBondContact O-N 3.1Å; E208-L210 PolarHBondContact O-N 3.49Å; E208-R211 PolarHBondContact O-N 3.35Å
209	R	92.8	Very high	93.9	Very high	67 Å²	67	41.9 Å²	41.9	25%	0.253	21%	0.211	S	C	.	.	H	α-helix	trans	-64.5	-40	-178.6	-71.4	174.9	65.4	175.5	-2.4	112.8	S173 T177 S205 Y206 R211 P376 D379	S173-R209 VanDerWaalsContact CB-NH1 3.35Å; S173-R209 PolarHBondContact OG-NH1 3.32Å; T177-R209 PolarHBondContact OG1-NH2 3.03Å; S205-R209 VanDerWaalsContact O-CG 3.3Å; S205-R209 WeakPolarHBondContact O-CG 3.39Å; S205-R209 PolarHBondContact O-N 3.25Å; S205-R209 VanDerWaalsContact O-N 3.09Å; Y206-R209 PolarHBondContact O-N 3.43Å; R209-R211 VanDerWaalsContact C-N 3.32Å; R209-P376 HydrophobicContact CG-CG 4.43Å; R209-D379 IonicContact NH1-OD2 3.05Å; R209-D379 PolarHBondContact NH1-OD2 2.85Å
210	L	96.1	Very high	92.5	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-85.1	-8.8	178.9	-64	167.2	0	0	0	112.6	T177 I180 E181 Y187 I192 Y206 E208 L212	T177-L210 HydrophobicContact CG2-CD1 4.46Å; T177-L210 HydrophobicContact CG2-CD2 4.42Å; T177-L210 HydrophobicContact CG2-CG 4.32Å; I180-L210 HydrophobicContact CB-CD1 4.45Å; I180-L210 HydrophobicContact CD1-CD1 3.64Å; I180-L210 HydrophobicContact CG2-CD1 4.08Å; I180-L210 HydrophobicContact CG2-CD2 4.36Å; E181-L210 HydrophobicContact CG-CD2 3.71Å; Y187-L210 HydrophobicContact CE2-CD2 4.43Å; I192-L210 HydrophobicContact CD1-CD1 3.96Å; Y206-L210 WeakPolarHBondContact O-CB 2.96Å; Y206-L210 WeakPolarHBondContact O-CG 2.83Å; Y206-L210 PolarHBondContact O-N 2.86Å; E208-L210 PolarHBondContact O-N 3.49Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 HydrophobicContact CB-CB 4.46Å; L210-L212 HydrophobicContact CB-CD1 3.77Å; L210-L212 HydrophobicContact CB-CG 3.75Å; L210-L212 HydrophobicContact CD1-CD1 4.17Å; L210-L212 PolarHBondContact O-N 3.37Å
211	R	96.6	Very high	90.7	Very high	210 Å²	210	49.9 Å²	49.9	79%	0.792	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	45.8	-172.3	-54.6	-178.7	-176.1	178.1	0.2	112	A207 E208 R209	A207-R211 CarbonylContact O-C 3.51Å; A207-R211 VanDerWaalsContact O-CA 3.27Å; A207-R211 WeakPolarHBondContact O-CA 3.36Å; A207-R211 PolarHBondContact O-N 2.91Å; E208-R211 PolarHBondContact O-N 3.35Å; R209-R211 VanDerWaalsContact C-N 3.32Å
212	L	97.9	Very high	88.8	Confident	13 Å²	13	55 Å²	55	7%	0.068	26%	0.256	C	S	.	.			trans	-110.9	153.4	179.2	-61.7	178.6	0	0	0	110.4	Y187 A190 I192 A207 L210	Y187-L212 HydrophobicContact CD2-CD1 4.49Å; Y187-L212 VanDerWaalsContact O-CD2 3.31Å; Y187-L212 WeakPolarHBondContact O-CD2 3.43Å; A190-L212 HydrophobicContact CB-CD1 4.04Å; I192-L212 HydrophobicContact CD1-CD1 4.04Å; I192-L212 HydrophobicContact CG1-CB 4.11Å; I192-L212 HydrophobicContact CG1-CD1 4.2Å; A207-L212 WeakPolarHBondContact CB-O 3.48Å; A207-L212 PolarHBondContact O-N 2.9Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 HydrophobicContact CB-CB 4.46Å; L210-L212 HydrophobicContact CB-CD1 3.77Å; L210-L212 HydrophobicContact CB-CG 3.75Å; L210-L212 HydrophobicContact CD1-CD1 4.17Å; L210-L212 PolarHBondContact O-N 3.37Å
213	P	97.9	Very high	86.7	Confident	62 Å²	62	59.9 Å²	59.9	40%	0.403	28%	0.284	S	S	.	.			trans	-65.4	149.4	172.7	-21.7	35.8	0	0	0	111.9	V191 I192	V191-P213 HydrophobicContact CG1-CB 4.05Å; V191-P213 HydrophobicContact CG1-CG 4.24Å; I192-P213 PolarHBondContact N-O 2.61Å
214	L	97.8	Very high	84.3	Confident	58 Å²	58	67 Å²	67	30%	0.304	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.7	174.5	-179.9	67.8	0	0	0	110.2	I192 A194 V200 A203 A207 V216	I192-L214 HydrophobicContact CB-CD1 4.39Å; I192-L214 HydrophobicContact CG2-CD1 4.08Å; I192-L214 CarbonylContact O-C 3.53Å; I192-L214 WeakPolarHBondContact O-CA 3.13Å; A194-L214 HydrophobicContact CB-CD1 4.46Å; V200-L214 HydrophobicContact CG1-CD2 4.23Å; A203-L214 HydrophobicContact CB-CD1 3.73Å; A207-L214 HydrophobicContact CB-CB 4.15Å; L214-V216 HydrophobicContact CD2-CG2 4.4Å; L214-V216 HydrophobicContact CG-CG2 4.3Å
215	V	97.8	Very high	82.1	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142	173.4	175.3	0	0	0	0	108.2	V191 I192 V193 A194 L266 V267 V270	V191-V215 HydrophobicContact CB-CG2 4.11Å; V191-V215 HydrophobicContact CG2-CG2 4.19Å; I192-V215 PolarHBondContact O-N 3.4Å; V193-V215 CarbonylContact C-O 3.42Å; V193-V215 WeakPolarHBondContact CA-O 3.29Å; V193-V215 HydrophobicContact CG2-CB 4.33Å; A194-V215 PolarHBondContact N-O 2.55Å; V215-L266 HydrophobicContact CG1-CD1 3.34Å; V215-L266 HydrophobicContact CG1-CD2 4.29Å; V215-L266 HydrophobicContact CG1-CG 3.73Å; V215-V267 WeakPolarHBondContact CA-O 3.3Å; V215-V267 WeakPolarHBondContact CG1-O 3.32Å; V215-V270 HydrophobicContact CB-CG1 4.33Å; V215-V270 HydrophobicContact CG1-CG1 3.89Å; V215-V270 HydrophobicContact CG2-CG1 3.92Å
216	V	97.1	Very high	80.1	Confident	30 Å²	30	71.9 Å²	71.9	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.3	-178.2	-173.5	0	0	0	0	109.6	A194 V200 L214 V267	A194-V216 HydrophobicContact CB-CG1 4.35Å; A194-V216 HydrophobicContact CB-CG2 4.28Å; V200-V216 HydrophobicContact CG2-CB 4.35Å; V200-V216 HydrophobicContact CG2-CG1 3.63Å; V200-V216 HydrophobicContact CG2-CG2 3.72Å; L214-V216 HydrophobicContact CD2-CG2 4.4Å; L214-V216 HydrophobicContact CG-CG2 4.3Å; V216-V267 PolarHBondContact N-O 3.28Å; V216-V267 PolarHBondContact O-N 2.98Å
217	I	93.9	Very high	78	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.3	168.8	-61.4	171.2	0	0	0	108.3	V193 A194 R195 N196 L264 T265 L266 A291 L294 L295	V193-I217 HydrophobicContact CG1-CD1 3.96Å; V193-I217 HydrophobicContact CG1-CG1 4.15Å; A194-I217 PolarHBondContact O-N 3.15Å; R195-I217 WeakPolarHBondContact O-CB 3.42Å; N196-I217 WeakPolarHBondContact CA-O 3.36Å; I217-L264 HydrophobicContact CG2-CD2 3.52Å; I217-T265 CarbonylContact C-O 3.59Å; I217-T265 WeakPolarHBondContact CA-O 3.31Å; I217-L266 HydrophobicContact CD1-CD1 4.26Å; I217-L266 HydrophobicContact CG1-CD1 3.48Å; I217-L266 VanDerWaalsContact CG1-CD1 3.48Å; I217-A291 HydrophobicContact CD1-CB 3.69Å; I217-L294 HydrophobicContact CD1-CD2 4.48Å; I217-L294 HydrophobicContact CG1-CD2 4.43Å; I217-L294 HydrophobicContact CG2-CD2 4.15Å; I217-L295 HydrophobicContact CD1-CG 4.44Å
218	H	85.1	Confident	76	Confident	81 Å²	81	81.9 Å²	81.9	38%	0.375	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.2	175	162.5	79.7	0	0	0	109.3	P262 L264 T265	H218-P262 WeakPolarHBondContact NE2-CG 3.31Å; H218-L264 CarbonylContact O-C 3.58Å; H218-L264 VanDerWaalsContact O-CA 3.26Å; H218-L264 WeakPolarHBondContact O-CA 3.44Å; H218-T265 PolarHBondContact CD2-OG1 3.45Å; H218-T265 VanDerWaalsContact CD2-OG1 3.26Å; H218-T265 PolarHBondContact N-O 2.53Å; H218-T265 PolarHBondContact O-N 3.13Å
219	G	71	Confident	74.2	Confident	9 Å²	9	80 Å²	80	9%	0.093	40%	0.396	C	S	.	.			trans	102.8	28.3	170.5	0	0	0	0	0	115.8	E221	G219-E221 PolarHBondContact O-N 3.28Å
220	E	62.8	Low	72.4	Confident	61 Å²	61	77 Å²	77	29%	0.285	39%	0.387	S	S	.	.			trans	-57.7	136.5	176.8	-68.3	-170.9	146.7	0	0	112.8	R195 N196 R222	R195-E220 IonicContact CZ-OE1 2.74Å; R195-E220 IonicContact NH1-OE1 3.6Å; R195-E220 PolarHBondContact NH1-OE1 3.05Å; N196-E220 HydrophobicContact CB-CG 3.92Å; N196-E220 VanDerWaalsContact CB-OE1 3.28Å; N196-E220 WeakPolarHBondContact CB-OE1 3.22Å; N196-E220 PolarHBondContact ND2-OE1 3.06Å; E220-R222 PolarHBondContact O-N 3.35Å
221	E	55.4	Low	70.7	Confident	157 Å²	157	85.7 Å²	85.7	73%	0.734	42%	0.419	S	S	*	.			trans	-62.7	101.9	165.1	-68.5	-179.9	173.2	0	0	109.2	G219	G219-E221 PolarHBondContact O-N 3.28Å
222	R	54.1	Low	68.9	Low	170 Å²	170	81.4 Å²	81.4	64%	0.642	41%	0.412	S	S	*	.			trans	-82.8	141	161.9	-69.1	-172.4	-177.9	178.7	3.2	109	E220 E224 K261	E220-R222 PolarHBondContact O-N 3.35Å; R222-E224 PolarHBondContact O-N 3.22Å; R222-K261 WeakPolarHBondContact O-CE 3.4Å; R222-K261 PolarHBondContact O-NZ 3.12Å
223	D	49.3	Very low	67	Low	124 Å²	124	84.5 Å²	84.5	66%	0.663	43%	0.434	S	S	*	.			trans	-59.3	135	174.6	-65.4	-46.4	0	0	0	110.6	S225 D226	D223-S225 PolarHBondContact O-N 3.4Å; D223-D226 WeakPolarHBondContact O-CB 3.4Å; D223-D226 PolarHBondContact O-N 3.42Å; D223-D226 VanDerWaalsContact O-N 3.13Å
224	E	47.3	Very low	65.1	Low	149 Å²	149	86.5 Å²	86.5	70%	0.696	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-59.3	-15.6	178.6	-68.8	-166.5	155.6	0	0	113.5	R222 D226 N227	R222-E224 PolarHBondContact O-N 3.22Å; E224-D226 PolarHBondContact O-N 2.99Å; E224-N227 PolarHBondContact O-N 3.26Å
225	S	49.6	Very low	63.2	Low	78 Å²	78	88.9 Å²	88.9	55%	0.545	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-53.6	-18.1	173.3	77.2	0	0	0	0	112.6	K128 D223 N227	K128-S225 WeakPolarHBondContact CE-O 3.44Å; K128-S225 PolarHBondContact NZ-O 3.02Å; K128-S225 PolarHBondContact NZ-OG 2.98Å; D223-S225 PolarHBondContact O-N 3.4Å; S225-N227 VanDerWaalsContact C-N 3.26Å; S225-N227 PolarHBondContact O-N 3.14Å
226	D	51.6	Low	61	Low	82 Å²	82	93.8 Å²	93.8	44%	0.439	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-66.1	-6.4	-178.9	-80.6	-6.9	0	0	0	117.4	K128 D223 E224 T228	K128-D226 VanDerWaalsContact NZ-CA 3.28Å; K128-D226 IonicContact NZ-OD1 2.8Å; K128-D226 PolarHBondContact NZ-OD1 3.41Å; D223-D226 WeakPolarHBondContact O-CB 3.4Å; D223-D226 PolarHBondContact O-N 3.42Å; D223-D226 VanDerWaalsContact O-N 3.13Å; E224-D226 PolarHBondContact O-N 2.99Å; D226-T228 VanDerWaalsContact C-N 3.34Å; D226-T228 PolarHBondContact O-N 3.37Å
227	N	52.9	Low	59.2	Low	117 Å²	117	96.7 Å²	96.7	63%	0.626	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-74.9	-13.5	-176.3	-72.6	-18.6	0	0	0	115.8	E224 S225	E224-N227 PolarHBondContact O-N 3.26Å; S225-N227 VanDerWaalsContact C-N 3.26Å; S225-N227 PolarHBondContact O-N 3.14Å
228	T	54.2	Low	57.4	Low	102 Å²	102	104.5 Å²	104.5	63%	0.626	54%	0.543	S	S	*	.			trans	-108.3	107.3	178.6	-42.7	0	0	0	0	110.4	K128 D226 G230	K128-T228 WeakPolarHBondContact CD-O 3.27Å; K128-T228 WeakPolarHBondContact CE-O 3.4Å; K128-T228 WeakPolarHBondContact CG-O 3.49Å; D226-T228 VanDerWaalsContact C-N 3.34Å; D226-T228 PolarHBondContact O-N 3.37Å; T228-G230 PolarHBondContact O-N 3.34Å; T228-G230 VanDerWaalsContact O-N 3.16Å
229	D	58.1	Low	56	Low	102 Å²	102	103.7 Å²	103.7	55%	0.545	55%	0.546	S	S	.	.			trans	-70.8	-10.8	-173	83.9	-17.7	0	0	0	114.3	K128 R231	K128-D229 WeakPolarHBondContact CA-O 3.4Å; D229-R231 PolarHBondContact O-N 3.13Å; D229-R231 PolarHBondContact OD1-N 3.28Å; D229-R231 IonicContact OD2-NE 3.09Å
230	G	54.9	Low	55.2	Low	6 Å²	6	106.7 Å²	106.7	6%	0.062	56%	0.559	C	S	.	*			trans	56.7	28.8	166.9	0	0	0	0	0	114.6	K128 R129 T228	K128-G230 CarbonylContact C-O 3.49Å; R129-G230 WeakPolarHBondContact CG-O 3.3Å; T228-G230 PolarHBondContact O-N 3.34Å; T228-G230 VanDerWaalsContact O-N 3.16Å
231	R	59.4	Low	54.7	Low	186 Å²	186	107.2 Å²	107.2	70%	0.702	57%	0.567	S	S	*	*			trans	-58.9	150.2	172.8	-72.7	178.5	173.5	167.3	0.2	110.5	R129 D229 S233	R129-R231 PolarHBondContact NH2-O 3.18Å; D229-R231 PolarHBondContact O-N 3.13Å; D229-R231 PolarHBondContact OD1-N 3.28Å; D229-R231 IonicContact OD2-NE 3.09Å; R231-S233 PolarHBondContact O-N 3.22Å
232	N	58.3	Low	54.5	Low	119 Å²	119	107.5 Å²	107.5	64%	0.636	57%	0.568	S	S	*	*	S	Bend	trans	-66.2	21.4	-169.1	-69.5	-14.6	0	0	0	115.3	R126 P234	R126-N232 PolarHBondContact NH2-OD1 3.28Å; N232-P234 WeakPolarHBondContact O-CD 3.42Å
233	S	57.6	Low	54.4	Low	78 Å²	78	108.2 Å²	108.2	55%	0.545	58%	0.576	S	S	.	*			trans	-57.9	127.3	169.3	-55.2	0	0	0	0	107.5	R129 R231	R129-S233 PolarHBondContact NH2-O 3Å; R231-S233 PolarHBondContact O-N 3.22Å
234	P	59.7	Low	54.2	Low	105 Å²	105	109.5 Å²	109.5	68%	0.682	57%	0.571	S	S	*	*			trans	-44.8	141.4	164	-23.4	32.4	0	0	0	108.1	N232 L236	N232-P234 WeakPolarHBondContact O-CD 3.42Å; P234-L236 PolarHBondContact O-N 3.47Å
235	P	56.5	Low	54.2	Low	108 Å²	108	107.5 Å²	107.5	70%	0.701	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-46.9	125.6	165.7	21.3	-29.9	0	0	0	106.8	D237	P235-D237 PolarHBondContact O-N 3.07Å
236	L	53.2	Low	54.2	Low	106 Å²	106	109.1 Å²	109.1	56%	0.555	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-54.8	119.8	176.6	-95.4	114.2	0	0	0	106.3	P234 Q238 V241	P234-L236 PolarHBondContact O-N 3.47Å; L236-Q238 PolarHBondContact O-N 2.82Å; L236-V241 HydrophobicContact CB-CG2 3.93Å; L236-V241 HydrophobicContact CD2-CG2 3.83Å
237	D	57.7	Low	54.2	Low	91 Å²	91	109.3 Å²	109.3	49%	0.487	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-55.3	116.2	168.8	179.2	-5.3	0	0	0	106.8	P235 S239 I240 V241	P235-D237 PolarHBondContact O-N 3.07Å; D237-S239 PolarHBondContact O-N 2.87Å; D237-S239 VanDerWaalsContact O-N 3.14Å; D237-S239 WeakPolarHBondContact OD1-CB 3.49Å; D237-S239 PolarHBondContact OD1-N 2.56Å; D237-S239 PolarHBondContact OD1-OG 2.74Å; D237-S239 PolarHBondContact OD2-OG 3.26Å; D237-I240 HydrophobicContact CB-CB 4.49Å; D237-I240 HydrophobicContact CB-CD1 3.87Å; D237-I240 HydrophobicContact CB-CG1 3.95Å; D237-I240 WeakPolarHBondContact O-CA 2.87Å; D237-I240 WeakPolarHBondContact O-CB 3.4Å; D237-I240 PolarHBondContact O-N 3.42Å; D237-V241 PolarHBondContact O-N 2.8Å
238	Q	57.1	Low	54.2	Low	163 Å²	163	110 Å²	110	76%	0.762	58%	0.582	S	S	*	*	H	α-helix	trans	-59	-28.1	-175.9	-72.8	179.9	-11.6	0	0	111	L236 I240 V241 E242	L236-Q238 PolarHBondContact O-N 2.82Å; Q238-I240 PolarHBondContact O-N 3.27Å; Q238-V241 WeakPolarHBondContact O-CB 3.34Å; Q238-V241 PolarHBondContact O-N 3.2Å; Q238-E242 PolarHBondContact O-N 3.08Å
239	S	55.7	Low	54.3	Low	64 Å²	64	107.5 Å²	107.5	45%	0.448	58%	0.575	S	S	.	*	H	α-helix	trans	-64.5	-26.5	174.9	75.7	0	0	0	0	113	D237	D237-S239 PolarHBondContact O-N 2.87Å; D237-S239 VanDerWaalsContact O-N 3.14Å; D237-S239 WeakPolarHBondContact OD1-CB 3.49Å; D237-S239 PolarHBondContact OD1-N 2.56Å; D237-S239 PolarHBondContact OD1-OG 2.74Å; D237-S239 PolarHBondContact OD2-OG 3.26Å
240	I	53.3	Low	54.3	Low	72 Å²	72	107.8 Å²	107.8	37%	0.369	58%	0.577	S	S	.	*	H	α-helix	trans	-81.5	-29.5	174.8	-57.1	177.7	0	0	0	110.7	D237 Q238 K243 R244	D237-I240 HydrophobicContact CB-CB 4.49Å; D237-I240 HydrophobicContact CB-CD1 3.87Å; D237-I240 HydrophobicContact CB-CG1 3.95Å; D237-I240 WeakPolarHBondContact O-CA 2.87Å; D237-I240 WeakPolarHBondContact O-CB 3.4Å; D237-I240 PolarHBondContact O-N 3.42Å; Q238-I240 PolarHBondContact O-N 3.27Å; I240-K243 PolarHBondContact O-N 3.24Å; I240-R244 HydrophobicContact CG2-CG 4.19Å; I240-R244 WeakPolarHBondContact O-CB 3.43Å; I240-R244 WeakPolarHBondContact O-CG 3.35Å; I240-R244 PolarHBondContact O-N 3.28Å
241	V	52.2	Low	54.5	Low	73 Å²	73	116.4 Å²	116.4	44%	0.442	62%	0.615	S	S	.	*	H	α-helix	trans	-66.5	-45.5	179.1	-177.6	0	0	0	0	110.7	L236 D237 Q238 K243 R244	L236-V241 HydrophobicContact CB-CG2 3.93Å; L236-V241 HydrophobicContact CD2-CG2 3.83Å; D237-V241 PolarHBondContact O-N 2.8Å; Q238-V241 WeakPolarHBondContact O-CB 3.34Å; Q238-V241 PolarHBondContact O-N 3.2Å; V241-K243 PolarHBondContact O-N 3Å; V241-R244 CarbonylContact O-C 3.44Å; V241-R244 PolarHBondContact O-N 3.04Å
242	E	52.3	Low	54.7	Low	163 Å²	163	114.2 Å²	114.2	76%	0.762	62%	0.617	S	S	*	*	H	α-helix	trans	-61.9	-33.9	178.3	-70.8	-175.7	171.5	0	0	112.4	Q238	Q238-E242 PolarHBondContact O-N 3.08Å
243	K	50.9	Low	54.8	Low	185 Å²	185	113.8 Å²	113.8	80%	0.804	61%	0.614	S	S	*	*	H	α-helix	trans	-81	-15.3	176.6	-72.8	-176.3	178.1	176.6	0	114.1	I240 V241	I240-K243 PolarHBondContact O-N 3.24Å; V241-K243 PolarHBondContact O-N 3Å
244	R	45.1	Very low	54.9	Low	150 Å²	150	115.4 Å²	115.4	57%	0.566	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	49.6	176.9	-68.3	-173.5	178	-179.5	-0.6	110.8	I240 V241 T246 Q247	I240-R244 HydrophobicContact CG2-CG 4.19Å; I240-R244 WeakPolarHBondContact O-CB 3.43Å; I240-R244 WeakPolarHBondContact O-CG 3.35Å; I240-R244 PolarHBondContact O-N 3.28Å; V241-R244 CarbonylContact O-C 3.44Å; V241-R244 PolarHBondContact O-N 3.04Å; R244-T246 PolarHBondContact O-N 3.44Å; R244-Q247 PolarHBondContact O-N 3.2Å
245	S	48.6	Very low	54.9	Low	108 Å²	108	118.8 Å²	118.8	76%	0.755	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	3.7	167.5	34.9	0	0	0	0	113.8
246	T	48.1	Very low	55.1	Low	111 Å²	111	122.4 Å²	122.4	68%	0.681	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	35.9	172.6	64	0	0	0	0	113.1	R244 I248	R244-T246 PolarHBondContact O-N 3.44Å; T246-I248 PolarHBondContact O-N 3.2Å
247	Q	51.7	Low	55.3	Low	87 Å²	87	124.2 Å²	124.2	41%	0.407	65%	0.65	S	S	.	*			trans	-73.5	66.7	163.1	-74.1	-160.9	6.6	0	0	110.6	R244 G249 L250	R244-Q247 PolarHBondContact O-N 3.2Å; Q247-G249 PolarHBondContact O-N 3.05Å; Q247-L250 PolarHBondContact O-N 3.43Å
248	I	53.7	Low	55.2	Low	132 Å²	132	124 Å²	124	68%	0.677	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	-23.8	172.7	-64.8	166.9	0	0	0	111.2	T246	T246-I248 PolarHBondContact O-N 3.2Å
249	G	56	Low	55.1	Low	48 Å²	48	125.8 Å²	125.8	50%	0.495	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-22.4	-177.1	0	0	0	0	0	116.2	Q247	Q247-G249 PolarHBondContact O-N 3.05Å
250	L	57.5	Low	55.2	Low	109 Å²	109	127.2 Å²	127.2	57%	0.571	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-36	-172.6	-135.3	84.9	0	0	0	112.4	Q247 L252 L253	Q247-L250 PolarHBondContact O-N 3.43Å; L250-L252 PolarHBondContact O-N 3.04Å; L250-L253 HydrophobicContact CD1-CD1 4.16Å; L250-L253 HydrophobicContact CG-CD1 4.33Å; L250-L253 WeakPolarHBondContact O-CB 3.46Å; L250-L253 PolarHBondContact O-N 3.09Å; L250-L253 VanDerWaalsContact O-N 3.11Å
251	E	59.3	Low	55.4	Low	186 Å²	186	128.6 Å²	128.6	87%	0.869	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-25.4	178.6	-64.5	-174.1	175.6	0	0	112.8	L253	E251-L253 VanDerWaalsContact C-N 3.3Å
252	L	64.2	Low	55.8	Low	140 Å²	140	128.2 Å²	128.2	73%	0.733	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-11.3	176.4	-71.7	169.4	0	0	0	113.4	L250 P254	L250-L252 PolarHBondContact O-N 3.04Å; L252-P254 WeakPolarHBondContact O-CD 3.27Å
253	L	60.2	Low	56.7	Low	111 Å²	111	125.4 Å²	125.4	58%	0.581	67%	0.673	S	S	*	*	S	Bend	trans	-77.2	123.1	177.6	-67.2	173.6	0	0	0	109.1	L250 E251 M255	L250-L253 HydrophobicContact CD1-CD1 4.16Å; L250-L253 HydrophobicContact CG-CD1 4.33Å; L250-L253 WeakPolarHBondContact O-CB 3.46Å; L250-L253 PolarHBondContact O-N 3.09Å; L250-L253 VanDerWaalsContact O-N 3.11Å; E251-L253 VanDerWaalsContact C-N 3.3Å; L253-M255 PolarHBondContact O-N 3.01Å
254	P	59.5	Low	58	Low	112 Å²	112	119.9 Å²	119.9	73%	0.727	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-61	118.8	173.1	23.2	-30	0	0	0	108.7	L252 M256	L252-P254 WeakPolarHBondContact O-CD 3.27Å; P254-M256 PolarHBondContact O-N 2.85Å; P254-M256 VanDerWaalsContact O-N 3.09Å
255	M	61.4	Low	59.8	Low	176 Å²	176	115.2 Å²	115.2	87%	0.867	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-60.7	116.5	169.1	-71.6	-158.7	-50.3	0	0	108.2	L253 I257	L253-M255 PolarHBondContact O-N 3.01Å; M255-I257 PolarHBondContact O-N 2.86Å
256	M	59.1	Low	61.9	Low	183 Å²	183	111.2 Å²	111.2	90%	0.901	61%	0.61	S	S	*	*			trans	-72.5	104	172.4	-63.6	-172	77.3	0	0	107.9	P254 P258	P254-M256 PolarHBondContact O-N 2.85Å; P254-M256 VanDerWaalsContact O-N 3.09Å; M256-P258 WeakPolarHBondContact O-CD 3.34Å
257	I	58.8	Low	64	Low	144 Å²	144	110.3 Å²	110.3	74%	0.738	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-63.9	125.9	171.6	-57.2	170.8	0	0	0	107.1	M255 K259	M255-I257 PolarHBondContact O-N 2.86Å; I257-K259 PolarHBondContact O-N 2.79Å
258	P	53.8	Low	65.9	Low	87 Å²	87	108.4 Å²	108.4	57%	0.565	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-55.3	117.7	174.2	-23.8	33.4	0	0	0	109.3	M256 A260	M256-P258 WeakPolarHBondContact O-CD 3.34Å; P258-A260 PolarHBondContact O-N 3.03Å
259	K	56.2	Low	67.8	Low	200 Å²	200	106.7 Å²	106.7	87%	0.87	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-67	127.7	172.3	-70.4	-174.3	177.6	-177.3	0	107.7	I257	I257-K259 PolarHBondContact O-N 2.79Å
260	A	57	Low	69.8	Low	95 Å²	95	104.4 Å²	104.4	79%	0.785	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-52.9	142.9	171.8	0	0	0	0	0	110.2	P258	P258-A260 PolarHBondContact O-N 3.03Å
261	K	58.9	Low	71.7	Confident	101 Å²	101	103.6 Å²	103.6	44%	0.439	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-65.4	125.1	-176.2	-60.8	177.4	-164.7	175.3	0	109.1	R222	R222-K261 WeakPolarHBondContact O-CE 3.4Å; R222-K261 PolarHBondContact O-NZ 3.12Å
262	P	60.6	Low	73.5	Confident	64 Å²	64	98.5 Å²	98.5	42%	0.416	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-66.4	146	174.7	26.3	-30.8	0	0	0	109.7	H218	H218-P262 WeakPolarHBondContact NE2-CG 3.31Å
263	P	71.1	Confident	75.1	Confident	104 Å²	104	95.4 Å²	95.4	68%	0.675	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-61.1	159.4	171.4	28.1	-34.8	0	0	0	110.4	T265	P263-T265 WeakPolarHBondContact O-CG2 3.35Å; P263-T265 PolarHBondContact O-N 3.27Å; P263-T265 VanDerWaalsContact O-N 3.12Å
264	L	76.3	Confident	76.9	Confident	70 Å²	70	90.2 Å²	90.2	37%	0.366	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-58.2	117.4	173.8	-78.5	152	0	0	0	110	I217 H218 L294	I217-L264 HydrophobicContact CG2-CD2 3.52Å; H218-L264 CarbonylContact O-C 3.58Å; H218-L264 VanDerWaalsContact O-CA 3.26Å; H218-L264 WeakPolarHBondContact O-CA 3.44Å; L264-L294 HydrophobicContact CB-CD2 4.06Å
265	T	84.7	Confident	78.8	Confident	52 Å²	52	84.9 Å²	84.9	32%	0.319	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.1	176.1	65.8	0	0	0	0	110.9	I217 H218 P263	I217-T265 CarbonylContact C-O 3.59Å; I217-T265 WeakPolarHBondContact CA-O 3.31Å; H218-T265 PolarHBondContact CD2-OG1 3.45Å; H218-T265 VanDerWaalsContact CD2-OG1 3.26Å; H218-T265 PolarHBondContact N-O 2.53Å; H218-T265 PolarHBondContact O-N 3.13Å; P263-T265 WeakPolarHBondContact O-CG2 3.35Å; P263-T265 PolarHBondContact O-N 3.27Å; P263-T265 VanDerWaalsContact O-N 3.12Å
266	L	90.9	Very high	80.6	Confident	24 Å²	24	76.5 Å²	76.5	13%	0.126	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.7	175.8	-169.7	73.1	0	0	0	109.1	V215 I217 V270 L294 L295 R298	V215-L266 HydrophobicContact CG1-CD1 3.34Å; V215-L266 HydrophobicContact CG1-CD2 4.29Å; V215-L266 HydrophobicContact CG1-CG 3.73Å; I217-L266 HydrophobicContact CD1-CD1 4.26Å; I217-L266 HydrophobicContact CG1-CD1 3.48Å; I217-L266 VanDerWaalsContact CG1-CD1 3.48Å; L266-V270 HydrophobicContact CD2-CB 4.39Å; L266-V270 HydrophobicContact CD2-CG1 3.81Å; L266-V270 HydrophobicContact CD2-CG2 3.64Å; L266-L294 HydrophobicContact CB-CD2 4.33Å; L266-L295 HydrophobicContact CD1-CD2 3.88Å; L266-L295 HydrophobicContact CD2-CD2 4.38Å; L266-R298 HydrophobicContact CD2-CB 3.82Å; L266-R298 HydrophobicContact CD2-CG 3.76Å
267	V	92.3	Very high	82.4	Confident	92 Å²	92	67.8 Å²	67.8	56%	0.558	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	105.5	173.4	-177.4	0	0	0	0	108.5	V215 V216	V215-V267 WeakPolarHBondContact CA-O 3.3Å; V215-V267 WeakPolarHBondContact CG1-O 3.32Å; V216-V267 PolarHBondContact N-O 3.28Å; V216-V267 PolarHBondContact O-N 2.98Å
268	G	92.3	Very high	84.3	Confident	47 Å²	47	60.9 Å²	60.9	49%	0.485	36%	0.355	S	S	.	.	S	Bend	trans	123.3	167.3	-175.5	0	0	0	0	0	112
269	D	94.7	Very high	86.3	Confident	95 Å²	95	57 Å²	57	51%	0.508	33%	0.329	S	S	.	.			trans	-102.7	132.6	-179.8	-177.1	26.3	0	0	0	111.2	N271	D269-N271 VanDerWaalsContact OD1-CB 3.28Å; D269-N271 WeakPolarHBondContact OD1-CB 3.37Å; D269-N271 PolarHBondContact OD1-N 2.88Å
270	V	96.5	Very high	88.2	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	29%	0.289	C	S	.	.			trans	-124.6	2.5	179.3	-57.1	0	0	0	0	111.8	V191 V215 L266 S272 R273 L295 R298 G299 A300	V191-V270 HydrophobicContact CG2-CB 4.39Å; V191-V270 HydrophobicContact CG2-CG1 3.91Å; V215-V270 HydrophobicContact CB-CG1 4.33Å; V215-V270 HydrophobicContact CG1-CG1 3.89Å; V215-V270 HydrophobicContact CG2-CG1 3.92Å; L266-V270 HydrophobicContact CD2-CB 4.39Å; L266-V270 HydrophobicContact CD2-CG1 3.81Å; L266-V270 HydrophobicContact CD2-CG2 3.64Å; V270-S272 PolarHBondContact O-N 3.01Å; V270-R273 PolarHBondContact O-N 3.17Å; V270-R273 VanDerWaalsContact O-N 3.15Å; V270-L295 HydrophobicContact CB-CD2 4.4Å; V270-L295 HydrophobicContact CG1-CD2 3.78Å; V270-L295 HydrophobicContact CG2-CD2 4.31Å; V270-R298 HydrophobicContact CG2-CB 3.45Å; V270-R298 VanDerWaalsContact CG2-CB 3.45Å; V270-G299 CarbonylContact O-C 3.48Å; V270-A300 HydrophobicContact CB-CB 4.28Å; V270-A300 HydrophobicContact CG2-CB 4.25Å; V270-A300 WeakPolarHBondContact O-CA 3.48Å; V270-A300 PolarHBondContact O-N 3.35Å
271	N	97.4	Very high	90.1	Very high	92 Å²	92	44 Å²	44	49%	0.492	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	126.9	-173.4	-174	36.7	0	0	0	111.4	D269 R273	D269-N271 VanDerWaalsContact OD1-CB 3.28Å; D269-N271 WeakPolarHBondContact OD1-CB 3.37Å; D269-N271 PolarHBondContact OD1-N 2.88Å; N271-R273 PolarHBondContact O-N 3.43Å
272	S	96.8	Very high	91.9	Very high	78 Å²	78	39.3 Å²	39.3	55%	0.545	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	29.5	-176.2	-57.4	0	0	0	0	114.2	N189 V270 G299 Y301	N189-S272 PolarHBondContact ND2-O 2.79Å; N189-S272 VanDerWaalsContact ND2-O 3.16Å; V270-S272 PolarHBondContact O-N 3.01Å; S272-G299 PolarHBondContact N-O 3.02Å; S272-Y301 VanDerWaalsContact C-CD1 3.47Å; S272-Y301 WeakPolarHBondContact O-CE1 3.39Å
273	R	98.1	Very high	93.4	Very high	75 Å²	75	39.5 Å²	39.5	28%	0.283	23%	0.233	S	C	.	.	S	Bend	trans	-119.6	162.2	177.1	-61.7	-166.6	-171.1	-168.6	1.2	112.7	N189 V191 V270 N271 A300 Y301	N189-R273 WeakPolarHBondContact O-CB 3.37Å; V191-R273 HydrophobicContact CG1-CB 4.45Å; V191-R273 VanDerWaalsContact CG1-CD 3.43Å; V191-R273 HydrophobicContact CG2-CB 4.41Å; V270-R273 PolarHBondContact O-N 3.17Å; V270-R273 VanDerWaalsContact O-N 3.15Å; N271-R273 PolarHBondContact O-N 3.43Å; R273-A300 WeakPolarHBondContact O-CA 3.47Å; R273-Y301 VanDerWaalsContact C-CD1 3.5Å; R273-Y301 VanDerWaalsContact O-CD1 3.29Å; R273-Y301 WeakPolarHBondContact O-CD1 3.37Å; R273-Y301 PolarHBondContact O-N 3.31Å; R273-Y301 VanDerWaalsContact O-N 3.07Å
274	I	98.6	Very high	94.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.4	166.8	-55.5	177.5	0	0	0	107.6	I184 T185 D186 N189 A190 V191 I276 Y301 K302 F304	I184-I274 HydrophobicContact CG2-CD1 3.97Å; I184-I274 HydrophobicContact CG2-CG2 4.31Å; T185-I274 VanDerWaalsContact O-CD1 3.3Å; T185-I274 WeakPolarHBondContact O-CD1 3.2Å; D186-I274 HydrophobicContact CB-CD1 4.49Å; N189-I274 PolarHBondContact O-N 2.79Å; A190-I274 CarbonylContact C-O 3.59Å; A190-I274 WeakPolarHBondContact CA-O 3.45Å; A190-I274 HydrophobicContact CB-CB 3.79Å; A190-I274 HydrophobicContact CB-CG2 4.18Å; A190-I274 WeakPolarHBondContact CB-O 3.26Å; V191-I274 PolarHBondContact N-O 2.88Å; I274-I276 HydrophobicContact CG2-CG1 4.11Å; I274-Y301 HydrophobicContact CG1-CE1 3.96Å; I274-Y301 HydrophobicContact CG1-CE2 4.13Å; I274-Y301 VanDerWaalsContact CG1-OH 3.26Å; I274-Y301 WeakPolarHBondContact CG1-OH 3.37Å; I274-K302 CarbonylContact C-O 3.53Å; I274-K302 WeakPolarHBondContact CA-O 3.46Å; I274-K302 HydrophobicContact CG1-CB 4.27Å; I274-K302 HydrophobicContact CG2-CB 4.14Å; I274-F304 HydrophobicContact CG2-CD2 3.52Å; I274-F304 HydrophobicContact CG2-CE2 3.59Å
275	A	98.7	Very high	95.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.2	173.5	0	0	0	0	0	110	V193 L295 A300 K302 I303 F304	V193-A275 HydrophobicContact CG2-CB 3.96Å; A275-L295 HydrophobicContact CB-CB 4.43Å; A275-L295 HydrophobicContact CB-CD1 3.87Å; A275-L295 HydrophobicContact CB-CD2 4.13Å; A275-L295 HydrophobicContact CB-CG 4.37Å; A275-A300 HydrophobicContact CB-CB 3.94Å; A275-K302 PolarHBondContact N-O 2.83Å; A275-I303 HydrophobicContact CB-CG1 4.45Å; A275-I303 CarbonylContact O-C 3.6Å; A275-I303 WeakPolarHBondContact O-CA 3.46Å; A275-F304 PolarHBondContact O-N 3.45Å
276	I	98.8	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	102.2	177.5	-54.8	175	0	0	0	108.1	I180 I184 A190 V191 I192 V193 I274 I278 F304 I306	I180-I276 HydrophobicContact CD1-CG2 4.34Å; I180-I276 HydrophobicContact CG2-CD1 3.85Å; I184-I276 HydrophobicContact CD1-CD1 3.82Å; I184-I276 HydrophobicContact CD1-CG1 4.3Å; A190-I276 HydrophobicContact CB-CD1 3.64Å; A190-I276 HydrophobicContact CB-CG1 4.1Å; V191-I276 PolarHBondContact O-N 3.31Å; I192-I276 CarbonylContact C-O 3.58Å; I192-I276 HydrophobicContact CD1-CB 4.04Å; I192-I276 HydrophobicContact CD1-CD1 4.37Å; I192-I276 HydrophobicContact CD1-CG2 4.27Å; V193-I276 PolarHBondContact N-O 2.94Å; I274-I276 HydrophobicContact CG2-CG1 4.11Å; I276-I278 HydrophobicContact CG2-CD1 3.73Å; I276-F304 CarbonylContact C-O 3.59Å; I276-F304 WeakPolarHBondContact CA-O 3.41Å; I276-F304 HydrophobicContact CG1-CB 4.3Å; I276-F304 HydrophobicContact CG1-CD2 4.48Å; I276-F304 HydrophobicContact CG2-CB 4.33Å; I276-I306 HydrophobicContact CG2-CD1 3.62Å; I276-I306 HydrophobicContact CG2-CG1 3.94Å
277	I	98.7	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.9	175.5	-60.4	164.8	0	0	0	108.7	V193 R195 F288 A291 L295 I303 F304 V305 I306	V193-I277 HydrophobicContact CB-CG1 4Å; V193-I277 HydrophobicContact CG1-CG1 4.2Å; V193-I277 WeakPolarHBondContact O-CA 3.24Å; R195-I277 HydrophobicContact CB-CG2 4.33Å; I277-F288 HydrophobicContact CG2-CD1 4.06Å; I277-F288 HydrophobicContact CG2-CE1 4.2Å; I277-A291 HydrophobicContact CD1-CB 4.09Å; I277-L295 HydrophobicContact CD1-CD1 3.74Å; I277-L295 HydrophobicContact CG1-CD1 3.87Å; I277-I303 HydrophobicContact CD1-CG2 4.21Å; I277-F304 PolarHBondContact N-O 3Å; I277-V305 HydrophobicContact CB-CG1 4.37Å; I277-V305 HydrophobicContact CB-CG2 4.33Å; I277-V305 HydrophobicContact CD1-CG2 4.09Å; I277-V305 HydrophobicContact CG2-CG1 4.38Å; I277-I306 PolarHBondContact O-N 3.03Å
278	I	98.1	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.8	176.7	-56.6	-59.7	0	0	0	109.5	I192 V193 V199 R202 A203 Y206 I276 I306	I192-I278 HydrophobicContact CD1-CG1 4.4Å; I192-I278 HydrophobicContact CG2-CB 4.47Å; I192-I278 HydrophobicContact CG2-CG1 3.67Å; V193-I278 PolarHBondContact O-N 3.3Å; V193-I278 VanDerWaalsContact O-N 3.08Å; V199-I278 WeakPolarHBondContact CG1-O 3.36Å; R202-I278 HydrophobicContact CG-CG2 4.04Å; A203-I278 HydrophobicContact CB-CB 4.37Å; Y206-I278 HydrophobicContact CD1-CD1 3.71Å; Y206-I278 HydrophobicContact CD1-CG1 4.11Å; Y206-I278 HydrophobicContact CD1-CG2 4.34Å; Y206-I278 HydrophobicContact CD2-CG2 3.85Å; Y206-I278 HydrophobicContact CE1-CD1 4.02Å; Y206-I278 HydrophobicContact CE1-CG2 4.42Å; Y206-I278 HydrophobicContact CE2-CG2 3.92Å; Y206-I278 HydrophobicContact CG-CD1 4.24Å; Y206-I278 HydrophobicContact CG-CG1 4.12Å; Y206-I278 HydrophobicContact CG-CG2 4.05Å; I276-I278 HydrophobicContact CG2-CD1 3.73Å; I278-I306 WeakPolarHBondContact CA-O 3.48Å; I278-I306 HydrophobicContact CD1-CB 3.88Å; I278-I306 HydrophobicContact CD1-CG2 4.45Å
279	D	96.2	Very high	95.9	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.027	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	174	173	-142.6	-29.5	0	0	0	110.5	R195 R202 F288 I306 A307	R195-D279 IonicContact CZ-OD2 2.85Å; R195-D279 IonicContact NE-OD2 3.92Å; R195-D279 PolarHBondContact NE-OD2 3.34Å; R195-D279 IonicContact NH2-OD2 3.78Å; R195-D279 PolarHBondContact NH2-OD2 3.04Å; R202-D279 IonicContact NH1-OD1 2.88Å; D279-F288 HydrophobicContact CB-CE1 3.83Å; D279-F288 HydrophobicContact CB-CZ 3.95Å; D279-F288 WeakPolarHBondContact OD2-CZ 3.4Å; D279-I306 PolarHBondContact N-O 2.96Å; D279-I306 VanDerWaalsContact N-O 3.08Å; D279-A307 WeakPolarHBondContact O-CA 3.25Å; D279-A307 WeakPolarHBondContact O-CB 3.22Å
280	D	95.2	Very high	95.9	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-41	171.9	42.9	-43.5	0	0	0	111.8	H155 R202 T308 H309	H155-D280 VanDerWaalsContact CA-OD2 3.26Å; H155-D280 WeakPolarHBondContact CA-OD2 3.44Å; H155-D280 WeakPolarHBondContact CB-OD2 3.22Å; H155-D280 IonicContact CE1-OD2 2.8Å; H155-D280 IonicContact CG-OD2 3.26Å; H155-D280 IonicContact ND1-OD1 2.93Å; H155-D280 IonicContact ND1-OD2 3.74Å; H155-D280 PolarHBondContact ND1-OD2 3.38Å; R202-D280 IonicContact CZ-OD1 3.68Å; R202-D280 IonicContact NH1-OD1 3.41Å; R202-D280 PolarHBondContact NH1-OD1 3.04Å; R202-D280 IonicContact NH2-OD1 2.9Å; R202-D280 IonicContact NH2-OD2 3.45Å; D280-T308 PolarHBondContact O-N 2.91Å; D280-H309 PolarHBondContact O-CD2 3.35Å; D280-H309 PolarHBondContact O-N 2.96Å
281	I	97.1	Very high	95.8	Very high	18 Å²	18	32.4 Å²	32.4	9%	0.092	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.6	-170.2	-59	162.5	0	0	0	108.9	Y117 T122 H155 D283 H309 L311	Y117-I281 HydrophobicContact CE2-CD1 3.84Å; Y117-I281 HydrophobicContact CE2-CG1 4.12Å; T122-I281 HydrophobicContact CG2-CD1 3.59Å; H155-I281 HydrophobicContact CB-CD1 4.28Å; I281-D283 HydrophobicContact CG2-CB 4.18Å; I281-H309 CarbonylContact C-O 3.58Å; I281-H309 WeakPolarHBondContact CA-O 3.38Å; I281-H309 HydrophobicContact CG1-CB 4.02Å; I281-L311 HydrophobicContact CG2-CD1 4.01Å; I281-L311 HydrophobicContact CG2-CG 4.05Å
282	I	96.1	Very high	95.8	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	107.2	166	-55.5	167.2	0	0	0	107.1	V285 F288 V305 A307 H309 G310 L311 L312 V328 V330	I282-V285 HydrophobicContact CG2-CG1 3.74Å; I282-F288 HydrophobicContact CB-CE2 4.34Å; I282-F288 HydrophobicContact CB-CZ 4.44Å; I282-F288 HydrophobicContact CG1-CE1 4.19Å; I282-F288 HydrophobicContact CG1-CE2 4.23Å; I282-F288 HydrophobicContact CG1-CZ 3.87Å; I282-F288 HydrophobicContact CG2-CD2 4.17Å; I282-F288 HydrophobicContact CG2-CE2 4.02Å; I282-F288 HydrophobicContact CG2-CZ 4.5Å; I282-V305 HydrophobicContact CD1-CB 4.38Å; I282-V305 HydrophobicContact CD1-CG1 3.54Å; I282-V305 HydrophobicContact CG1-CG1 4.16Å; I282-A307 HydrophobicContact CD1-CB 3.59Å; I282-A307 HydrophobicContact CG1-CB 3.5Å; I282-A307 VanDerWaalsContact CG1-CB 3.5Å; I282-H309 PolarHBondContact N-O 3.27Å; I282-G310 CarbonylContact O-C 3.51Å; I282-L311 PolarHBondContact O-N 3.13Å; I282-L312 HydrophobicContact CB-CD2 4.21Å; I282-L312 HydrophobicContact CG2-CD2 3.61Å; I282-L312 PolarHBondContact O-N 3.25Å; I282-V328 HydrophobicContact CD1-CG1 3.62Å; I282-V330 HydrophobicContact CD1-CG1 3.87Å
283	D	93.3	Very high	95.8	Very high	67 Å²	67	26.9 Å²	26.9	36%	0.358	14%	0.135	S	C	.	.	S	Bend	trans	-115.3	-83.2	178.6	-174.6	22.2	0	0	0	109.9	I281 V285 L311 S313	I281-D283 HydrophobicContact CG2-CB 4.18Å; D283-V285 PolarHBondContact O-N 3.32Å; D283-L311 HydrophobicContact CB-CB 4.15Å; D283-L311 HydrophobicContact CB-CD1 4.09Å; D283-L311 HydrophobicContact CB-CG 4.49Å; D283-S313 PolarHBondContact O-N 3.41Å; D283-S313 WeakPolarHBondContact OD1-CB 3.44Å; D283-S313 PolarHBondContact OD1-OG 2.87Å
284	D	89.7	Confident	95.7	Very high	63 Å²	63	24 Å²	24	34%	0.337	13%	0.126	S	C	.	.			trans	-76.6	116	164.5	177.1	9.4	0	0	0	110.1	S286	D284-S286 VanDerWaalsContact C-N 3.34Å; D284-S286 WeakPolarHBondContact OD1-CB 3.43Å; D284-S286 PolarHBondContact OD1-N 3.09Å; D284-S286 PolarHBondContact OD1-OG 2.88Å
285	V	94.5	Very high	95.6	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.125	C	C	.	.			trans	-80	-13	-177.9	-62	0	0	0	0	113.5	I282 D283 K287 F288 V289 L312 A316 L319 L320	I282-V285 HydrophobicContact CG2-CG1 3.74Å; D283-V285 PolarHBondContact O-N 3.32Å; V285-K287 PolarHBondContact O-N 3.42Å; V285-K287 VanDerWaalsContact O-N 3.16Å; V285-F288 CarbonylContact O-C 3.58Å; V285-F288 WeakPolarHBondContact O-CA 3.44Å; V285-F288 WeakPolarHBondContact O-CB 3.38Å; V285-F288 PolarHBondContact O-N 2.91Å; V285-V289 WeakPolarHBondContact O-CG2 3.37Å; V285-V289 PolarHBondContact O-N 3.07Å; V285-L312 HydrophobicContact CG1-CD2 4.13Å; V285-A316 HydrophobicContact CB-CB 4.42Å; V285-A316 HydrophobicContact CG1-CB 3.58Å; V285-A316 HydrophobicContact CG2-CB 3.96Å; V285-L319 HydrophobicContact CG2-CB 3.61Å; V285-L319 HydrophobicContact CG2-CD1 3.72Å; V285-L319 HydrophobicContact CG2-CG 4.32Å; V285-L320 HydrophobicContact CB-CD2 4.14Å; V285-L320 HydrophobicContact CB-CG 4.34Å; V285-L320 HydrophobicContact CG1-CD1 4.14Å; V285-L320 HydrophobicContact CG1-CD2 4.05Å; V285-L320 HydrophobicContact CG1-CG 4.02Å; V285-L320 HydrophobicContact CG2-CG 4.46Å
286	S	92.6	Very high	95.6	Very high	47 Å²	47	29.6 Å²	29.6	33%	0.329	15%	0.147	S	C	.	.	H	α-helix	trans	-55.5	-40.6	-174	-51.4	0	0	0	0	112.1	D284 F288 V289 N290	D284-S286 VanDerWaalsContact C-N 3.34Å; D284-S286 WeakPolarHBondContact OD1-CB 3.43Å; D284-S286 PolarHBondContact OD1-N 3.09Å; D284-S286 PolarHBondContact OD1-OG 2.88Å; S286-F288 VanDerWaalsContact C-N 3.31Å; S286-F288 PolarHBondContact O-N 3.39Å; S286-V289 PolarHBondContact O-N 3.35Å; S286-N290 VanDerWaalsContact O-CG 3.29Å; S286-N290 PolarHBondContact O-N 3.01Å
287	K	91.8	Very high	95.5	Very high	109 Å²	109	36.7 Å²	36.7	47%	0.474	18%	0.18	S	C	.	.	H	α-helix	trans	-66.8	-32.1	177	-62.2	-176.7	-177.5	179.6	0	112.9	V285 A291	V285-K287 PolarHBondContact O-N 3.42Å; V285-K287 VanDerWaalsContact O-N 3.16Å; K287-A291 WeakPolarHBondContact O-CB 3.42Å; K287-A291 PolarHBondContact O-N 3.41Å
288	F	95.6	Very high	95.4	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-76	-38.4	176.3	-63.4	-88.8	0	0	0	111.2	I277 D279 I282 V285 S286 A291 A292 V305 I325	I277-F288 HydrophobicContact CG2-CD1 4.06Å; I277-F288 HydrophobicContact CG2-CE1 4.2Å; D279-F288 HydrophobicContact CB-CE1 3.83Å; D279-F288 HydrophobicContact CB-CZ 3.95Å; D279-F288 WeakPolarHBondContact OD2-CZ 3.4Å; I282-F288 HydrophobicContact CB-CE2 4.34Å; I282-F288 HydrophobicContact CB-CZ 4.44Å; I282-F288 HydrophobicContact CG1-CE1 4.19Å; I282-F288 HydrophobicContact CG1-CE2 4.23Å; I282-F288 HydrophobicContact CG1-CZ 3.87Å; I282-F288 HydrophobicContact CG2-CD2 4.17Å; I282-F288 HydrophobicContact CG2-CE2 4.02Å; I282-F288 HydrophobicContact CG2-CZ 4.5Å; V285-F288 CarbonylContact O-C 3.58Å; V285-F288 WeakPolarHBondContact O-CA 3.44Å; V285-F288 WeakPolarHBondContact O-CB 3.38Å; V285-F288 PolarHBondContact O-N 2.91Å; S286-F288 VanDerWaalsContact C-N 3.31Å; S286-F288 PolarHBondContact O-N 3.39Å; F288-A291 PolarHBondContact O-N 2.88Å; F288-A292 WeakPolarHBondContact O-CB 3.22Å; F288-A292 PolarHBondContact O-N 2.8Å; F288-V305 HydrophobicContact CB-CG2 4.47Å; F288-V305 HydrophobicContact CD1-CG1 3.42Å; F288-V305 VanDerWaalsContact CD1-CG1 3.42Å; F288-V305 HydrophobicContact CD1-CG2 4.41Å; F288-V305 HydrophobicContact CE1-CG1 3.75Å; F288-V305 HydrophobicContact CG-CG1 4.23Å; F288-I325 HydrophobicContact CB-CD1 4.24Å
289	V	96.1	Very high	95.3	Very high	25 Å²	25	44 Å²	44	15%	0.152	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-47.7	174	174.7	0	0	0	0	110.7	V285 S286 A291 A292 E293 I325	V285-V289 WeakPolarHBondContact O-CG2 3.37Å; V285-V289 PolarHBondContact O-N 3.07Å; S286-V289 PolarHBondContact O-N 3.35Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.8Å; V289-A292 WeakPolarHBondContact O-CA 3.37Å; V289-A292 WeakPolarHBondContact O-CB 3.44Å; V289-A292 PolarHBondContact O-N 2.95Å; V289-E293 PolarHBondContact O-N 3.28Å; V289-I325 HydrophobicContact CG2-CD1 4.27Å
290	N	93.8	Very high	95.4	Very high	84 Å²	84	43.8 Å²	43.8	45%	0.449	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-40.7	177.1	-68.4	-12.2	0	0	0	112.3	S286 A292 E293 L294	S286-N290 VanDerWaalsContact O-CG 3.29Å; S286-N290 PolarHBondContact O-N 3.01Å; N290-A292 VanDerWaalsContact C-N 3.32Å; N290-E293 PolarHBondContact O-N 3.07Å; N290-L294 PolarHBondContact O-N 3.32Å; N290-L294 VanDerWaalsContact O-N 3.16Å
291	A	94.9	Very high	95.5	Very high	2 Å²	2	48 Å²	48	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-40.4	173.5	0	0	0	0	0	111.6	R195 I217 I277 K287 F288 V289 L294 L295	R195-A291 HydrophobicContact CG-CB 4.22Å; I217-A291 HydrophobicContact CD1-CB 3.69Å; I277-A291 HydrophobicContact CD1-CB 4.09Å; K287-A291 WeakPolarHBondContact O-CB 3.42Å; K287-A291 PolarHBondContact O-N 3.41Å; F288-A291 PolarHBondContact O-N 2.88Å; V289-A291 VanDerWaalsContact C-N 3.33Å; V289-A291 PolarHBondContact O-N 2.8Å; A291-L294 PolarHBondContact O-N 3.38Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 WeakPolarHBondContact O-CD1 3.42Å; A291-L295 WeakPolarHBondContact O-CG 3.28Å; A291-L295 PolarHBondContact O-N 3.02Å
292	A	97.4	Very high	95.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-41.7	178	0	0	0	0	0	112.4	F288 V289 N290 L295 R296 I303 I325	F288-A292 WeakPolarHBondContact O-CB 3.22Å; F288-A292 PolarHBondContact O-N 2.8Å; V289-A292 WeakPolarHBondContact O-CA 3.37Å; V289-A292 WeakPolarHBondContact O-CB 3.44Å; V289-A292 PolarHBondContact O-N 2.95Å; N290-A292 VanDerWaalsContact C-N 3.32Å; A292-L295 PolarHBondContact O-N 2.93Å; A292-R296 WeakPolarHBondContact O-CB 3.44Å; A292-R296 PolarHBondContact O-N 2.9Å; A292-I303 HydrophobicContact CB-CD1 3.93Å; A292-I303 HydrophobicContact CB-CG2 3.96Å; A292-I303 WeakPolarHBondContact O-CD1 3.46Å; A292-I325 HydrophobicContact CB-CD1 4.3Å; A292-I325 HydrophobicContact CB-CG1 3.56Å
293	E	96.4	Very high	95.6	Very high	53 Å²	53	50.7 Å²	50.7	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-48.7	174.2	-68.2	-57.6	156.3	0	0	111.4	V289 N290 L295 R296 E297 R324	V289-E293 PolarHBondContact O-N 3.28Å; N290-E293 PolarHBondContact O-N 3.07Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-L295 PolarHBondContact O-N 3.25Å; E293-R296 WeakPolarHBondContact O-CB 3.37Å; E293-R296 PolarHBondContact O-N 3.04Å; E293-R296 VanDerWaalsContact O-N 3.11Å; E293-E297 WeakPolarHBondContact O-CG 3.49Å; E293-E297 PolarHBondContact O-N 3.06Å; E293-R324 VanDerWaalsContact CD-CG 3.48Å; E293-R324 WeakPolarHBondContact OE1-CG 3.3Å; E293-R324 WeakPolarHBondContact OE2-CG 3.5Å; E293-R324 IonicContact OE2-CZ 3.42Å; E293-R324 IonicContact OE2-NE 3.83Å; E293-R324 IonicContact OE2-NH1 2.75Å; E293-R324 PolarHBondContact OE2-NH1 3.1Å
294	L	95.6	Very high	95.9	Very high	16 Å²	16	48.2 Å²	48.2	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-44.9	176.6	175.5	63.4	0	0	0	111.8	I217 L264 L266 N290 A291 R296 E297 R298	I217-L294 HydrophobicContact CD1-CD2 4.48Å; I217-L294 HydrophobicContact CG1-CD2 4.43Å; I217-L294 HydrophobicContact CG2-CD2 4.15Å; L264-L294 HydrophobicContact CB-CD2 4.06Å; L266-L294 HydrophobicContact CB-CD2 4.33Å; N290-L294 PolarHBondContact O-N 3.32Å; N290-L294 VanDerWaalsContact O-N 3.16Å; A291-L294 PolarHBondContact O-N 3.38Å; L294-R296 VanDerWaalsContact C-N 3.3Å; L294-R296 PolarHBondContact O-N 3.03Å; L294-E297 PolarHBondContact O-N 2.74Å; L294-R298 HydrophobicContact CD1-CG 4.11Å; L294-R298 WeakPolarHBondContact O-CB 3.46Å; L294-R298 WeakPolarHBondContact O-CG 3.23Å; L294-R298 PolarHBondContact O-N 2.9Å
295	L	97.9	Very high	96.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-40.4	177.9	-70.8	165.2	0	0	0	111.4	V193 I217 L266 V270 A275 I277 A291 A292 E293 R298 G299 A300 I303	V193-L295 HydrophobicContact CG1-CD1 4.31Å; V193-L295 HydrophobicContact CG1-CD2 4.24Å; V193-L295 HydrophobicContact CG2-CD1 4.32Å; V193-L295 HydrophobicContact CG2-CD2 4.01Å; I217-L295 HydrophobicContact CD1-CG 4.44Å; L266-L295 HydrophobicContact CD1-CD2 3.88Å; L266-L295 HydrophobicContact CD2-CD2 4.38Å; V270-L295 HydrophobicContact CB-CD2 4.4Å; V270-L295 HydrophobicContact CG1-CD2 3.78Å; V270-L295 HydrophobicContact CG2-CD2 4.31Å; A275-L295 HydrophobicContact CB-CB 4.43Å; A275-L295 HydrophobicContact CB-CD1 3.87Å; A275-L295 HydrophobicContact CB-CD2 4.13Å; A275-L295 HydrophobicContact CB-CG 4.37Å; I277-L295 HydrophobicContact CD1-CD1 3.74Å; I277-L295 HydrophobicContact CG1-CD1 3.87Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 WeakPolarHBondContact O-CD1 3.42Å; A291-L295 WeakPolarHBondContact O-CG 3.28Å; A291-L295 PolarHBondContact O-N 3.02Å; A292-L295 PolarHBondContact O-N 2.93Å; E293-L295 VanDerWaalsContact C-N 3.33Å; E293-L295 PolarHBondContact O-N 3.25Å; L295-R298 CarbonylContact O-C 3.55Å; L295-R298 PolarHBondContact O-N 2.79Å; L295-G299 PolarHBondContact O-N 3.41Å; L295-A300 HydrophobicContact CB-CB 4.09Å; L295-A300 VanDerWaalsContact O-CB 3.23Å; L295-A300 WeakPolarHBondContact O-CB 3.37Å; L295-A300 PolarHBondContact O-N 2.85Å; L295-I303 HydrophobicContact CB-CD1 3.93Å; L295-I303 HydrophobicContact CD1-CG2 4.35Å
296	R	97.4	Very high	96.5	Very high	118 Å²	118	45.3 Å²	45.3	45%	0.445	21%	0.21	S	C	.	.	H	α-helix	trans	-66.5	-41.6	179	-171	60.9	178.5	85.2	-2.4	112.2	A292 E293 L294 R298 G299 A300 I303 R324	A292-R296 WeakPolarHBondContact O-CB 3.44Å; A292-R296 PolarHBondContact O-N 2.9Å; E293-R296 WeakPolarHBondContact O-CB 3.37Å; E293-R296 PolarHBondContact O-N 3.04Å; E293-R296 VanDerWaalsContact O-N 3.11Å; L294-R296 VanDerWaalsContact C-N 3.3Å; L294-R296 PolarHBondContact O-N 3.03Å; R296-R298 PolarHBondContact O-N 2.8Å; R296-G299 PolarHBondContact O-N 2.92Å; R296-G299 VanDerWaalsContact O-N 3.16Å; R296-A300 WeakPolarHBondContact CD-O 3.43Å; R296-I303 HydrophobicContact CB-CD1 4.09Å; R296-R324 HydrophobicContact CG-CG 4.46Å
297	E	96.4	Very high	96.8	Very high	150 Å²	150	43 Å²	43	70%	0.701	19%	0.194	S	C	*	.	H	α-helix	trans	-62.7	-32.1	173.6	-73.3	177	177.2	0	0	112.1	E293 L294 G299	E293-E297 WeakPolarHBondContact O-CG 3.49Å; E293-E297 PolarHBondContact O-N 3.06Å; L294-E297 PolarHBondContact O-N 2.74Å; E297-G299 PolarHBondContact O-N 3.24Å
298	R	96.3	Very high	97.1	Very high	135 Å²	135	37.9 Å²	37.9	51%	0.509	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	6.4	177.1	-61.8	-70.2	-178.8	152.4	2.1	113.6	L266 V270 L294 L295 R296	L266-R298 HydrophobicContact CD2-CB 3.82Å; L266-R298 HydrophobicContact CD2-CG 3.76Å; V270-R298 HydrophobicContact CG2-CB 3.45Å; V270-R298 VanDerWaalsContact CG2-CB 3.45Å; L294-R298 HydrophobicContact CD1-CG 4.11Å; L294-R298 WeakPolarHBondContact O-CB 3.46Å; L294-R298 WeakPolarHBondContact O-CG 3.23Å; L294-R298 PolarHBondContact O-N 2.9Å; L295-R298 CarbonylContact O-C 3.55Å; L295-R298 PolarHBondContact O-N 2.79Å; R296-R298 PolarHBondContact O-N 2.8Å
299	G	97	Very high	97.2	Very high	19 Å²	19	37.7 Å²	37.7	20%	0.196	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	7.7	170.8	0	0	0	0	0	115.4	V270 S272 L295 R296 E297 Y301	V270-G299 CarbonylContact O-C 3.48Å; S272-G299 PolarHBondContact N-O 3.02Å; L295-G299 PolarHBondContact O-N 3.41Å; R296-G299 PolarHBondContact O-N 2.92Å; R296-G299 VanDerWaalsContact O-N 3.16Å; E297-G299 PolarHBondContact O-N 3.24Å; G299-Y301 PolarHBondContact O-N 2.89Å
300	A	98	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.164	C	C	.	.			trans	-62.4	130.2	168.7	0	0	0	0	0	109.2	V270 R273 A275 L295 R296 I303	V270-A300 HydrophobicContact CB-CB 4.28Å; V270-A300 HydrophobicContact CG2-CB 4.25Å; V270-A300 WeakPolarHBondContact O-CA 3.48Å; V270-A300 PolarHBondContact O-N 3.35Å; R273-A300 WeakPolarHBondContact O-CA 3.47Å; A275-A300 HydrophobicContact CB-CB 3.94Å; L295-A300 HydrophobicContact CB-CB 4.09Å; L295-A300 VanDerWaalsContact O-CB 3.23Å; L295-A300 WeakPolarHBondContact O-CB 3.37Å; L295-A300 PolarHBondContact O-N 2.85Å; R296-A300 WeakPolarHBondContact CD-O 3.43Å; A300-I303 HydrophobicContact CB-CG1 4.39Å
301	Y	96.7	Very high	97.4	Very high	94 Å²	94	33.8 Å²	33.8	37%	0.369	15%	0.149	S	C	.	.	S	Bend	trans	-99.9	-16.2	-175.4	72.7	-87.8	0	0	0	113.7	S272 R273 I274 G299	S272-Y301 VanDerWaalsContact C-CD1 3.47Å; S272-Y301 WeakPolarHBondContact O-CE1 3.39Å; R273-Y301 VanDerWaalsContact C-CD1 3.5Å; R273-Y301 VanDerWaalsContact O-CD1 3.29Å; R273-Y301 WeakPolarHBondContact O-CD1 3.37Å; R273-Y301 PolarHBondContact O-N 3.31Å; R273-Y301 VanDerWaalsContact O-N 3.07Å; I274-Y301 HydrophobicContact CG1-CE1 3.96Å; I274-Y301 HydrophobicContact CG1-CE2 4.13Å; I274-Y301 VanDerWaalsContact CG1-OH 3.26Å; I274-Y301 WeakPolarHBondContact CG1-OH 3.37Å; G299-Y301 PolarHBondContact O-N 2.89Å
302	K	98.2	Very high	97.4	Very high	75 Å²	75	33.7 Å²	33.7	33%	0.326	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.3	168.6	-76.1	-171.6	177.6	-173.6	0	110.6	I274 A275 F304 D326	I274-K302 CarbonylContact C-O 3.53Å; I274-K302 WeakPolarHBondContact CA-O 3.46Å; I274-K302 HydrophobicContact CG1-CB 4.27Å; I274-K302 HydrophobicContact CG2-CB 4.14Å; A275-K302 PolarHBondContact N-O 2.83Å; K302-F304 HydrophobicContact CB-CE2 4.02Å; K302-F304 HydrophobicContact CD-CE2 4.29Å; K302-D326 WeakPolarHBondContact CA-OD2 3.49Å
303	I	98.6	Very high	97	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	117.3	-175	-54.1	177.5	0	0	0	109.8	A275 I277 A292 L295 R296 A300 I325 D326	A275-I303 HydrophobicContact CB-CG1 4.45Å; A275-I303 CarbonylContact O-C 3.6Å; A275-I303 WeakPolarHBondContact O-CA 3.46Å; I277-I303 HydrophobicContact CD1-CG2 4.21Å; A292-I303 HydrophobicContact CB-CD1 3.93Å; A292-I303 HydrophobicContact CB-CG2 3.96Å; A292-I303 WeakPolarHBondContact O-CD1 3.46Å; L295-I303 HydrophobicContact CB-CD1 3.93Å; L295-I303 HydrophobicContact CD1-CG2 4.35Å; R296-I303 HydrophobicContact CB-CD1 4.09Å; A300-I303 HydrophobicContact CB-CG1 4.39Å; I303-I325 HydrophobicContact CG2-CG1 4.47Å; I303-D326 PolarHBondContact N-OD2 2.99Å; I303-D326 PolarHBondContact O-N 2.77Å
304	F	98.7	Very high	96.4	Very high	15 Å²	15	39 Å²	39	7%	0.066	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.3	174.5	-65.3	-98.2	0	0	0	109.4	I184 I274 A275 I276 I277 K302 I306 E327	I184-F304 HydrophobicContact CD1-CB 4.24Å; I184-F304 HydrophobicContact CD1-CD1 3.66Å; I184-F304 HydrophobicContact CD1-CD2 3.99Å; I184-F304 HydrophobicContact CD1-CE1 3.99Å; I184-F304 HydrophobicContact CD1-CE2 4.27Å; I184-F304 HydrophobicContact CD1-CG 3.69Å; I184-F304 HydrophobicContact CD1-CZ 4.28Å; I184-F304 HydrophobicContact CG1-CD1 4.06Å; I184-F304 HydrophobicContact CG1-CE1 3.87Å; I184-F304 HydrophobicContact CG1-CE2 4.42Å; I184-F304 HydrophobicContact CG1-CG 4.45Å; I184-F304 HydrophobicContact CG1-CZ 4.06Å; I184-F304 HydrophobicContact CG2-CD2 4.43Å; I184-F304 HydrophobicContact CG2-CE2 3.91Å; I184-F304 HydrophobicContact CG2-CZ 4.08Å; I274-F304 HydrophobicContact CG2-CD2 3.52Å; I274-F304 HydrophobicContact CG2-CE2 3.59Å; A275-F304 PolarHBondContact O-N 3.45Å; I276-F304 CarbonylContact C-O 3.59Å; I276-F304 WeakPolarHBondContact CA-O 3.41Å; I276-F304 HydrophobicContact CG1-CB 4.3Å; I276-F304 HydrophobicContact CG1-CD2 4.48Å; I276-F304 HydrophobicContact CG2-CB 4.33Å; I277-F304 PolarHBondContact N-O 3Å; K302-F304 HydrophobicContact CB-CE2 4.02Å; K302-F304 HydrophobicContact CD-CE2 4.29Å; F304-I306 HydrophobicContact CB-CG1 4.5Å; F304-E327 WeakPolarHBondContact CA-O 3.37Å; F304-E327 HydrophobicContact CD1-CB 3.66Å; F304-E327 HydrophobicContact CD1-CG 4.49Å; F304-E327 HydrophobicContact CE1-CB 3.74Å
305	V	98.7	Very high	96.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.2	168	-171.7	0	0	0	0	108.3	I277 I282 F288 I325 E327 V328 V329	I277-V305 HydrophobicContact CB-CG1 4.37Å; I277-V305 HydrophobicContact CB-CG2 4.33Å; I277-V305 HydrophobicContact CD1-CG2 4.09Å; I277-V305 HydrophobicContact CG2-CG1 4.38Å; I282-V305 HydrophobicContact CD1-CB 4.38Å; I282-V305 HydrophobicContact CD1-CG1 3.54Å; I282-V305 HydrophobicContact CG1-CG1 4.16Å; F288-V305 HydrophobicContact CB-CG2 4.47Å; F288-V305 HydrophobicContact CD1-CG1 3.42Å; F288-V305 VanDerWaalsContact CD1-CG1 3.42Å; F288-V305 HydrophobicContact CD1-CG2 4.41Å; F288-V305 HydrophobicContact CE1-CG1 3.75Å; F288-V305 HydrophobicContact CG-CG1 4.23Å; V305-I325 HydrophobicContact CG2-CD1 3.81Å; V305-I325 HydrophobicContact CG2-CG1 4.05Å; V305-I325 HydrophobicContact CG2-CG2 3.9Å; V305-E327 PolarHBondContact N-O 3.2Å; V305-V328 HydrophobicContact CB-CG2 4.28Å; V305-V328 CarbonylContact O-C 3.59Å; V305-V328 VanDerWaalsContact O-CA 3.3Å; V305-V328 WeakPolarHBondContact O-CA 3.28Å; V305-V329 PolarHBondContact O-N 2.94Å
306	I	98.7	Very high	95.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.2	-176.7	-52.3	-172.5	0	0	0	108.9	L176 I180 I184 I276 I277 I278 D279 F304 V329	L176-I306 HydrophobicContact CB-CG2 4.09Å; L176-I306 HydrophobicContact CD1-CG2 4.12Å; L176-I306 HydrophobicContact CD2-CG2 3.88Å; L176-I306 HydrophobicContact CG-CG2 4.24Å; I180-I306 HydrophobicContact CD1-CD1 3.67Å; I180-I306 HydrophobicContact CG1-CD1 3.35Å; I184-I306 HydrophobicContact CD1-CD1 4.27Å; I276-I306 HydrophobicContact CG2-CD1 3.62Å; I276-I306 HydrophobicContact CG2-CG1 3.94Å; I277-I306 PolarHBondContact O-N 3.03Å; I278-I306 WeakPolarHBondContact CA-O 3.48Å; I278-I306 HydrophobicContact CD1-CB 3.88Å; I278-I306 HydrophobicContact CD1-CG2 4.45Å; D279-I306 PolarHBondContact N-O 2.96Å; D279-I306 VanDerWaalsContact N-O 3.08Å; F304-I306 HydrophobicContact CB-CG1 4.5Å; I306-V329 VanDerWaalsContact CA-O 3.31Å; I306-V329 WeakPolarHBondContact CA-O 3.16Å; I306-V329 HydrophobicContact CB-CB 4.46Å; I306-V329 HydrophobicContact CD1-CB 4.48Å; I306-V329 HydrophobicContact CD1-CG2 4.41Å; I306-V329 HydrophobicContact CG1-CB 3.99Å; I306-V329 HydrophobicContact CG1-CG2 4.14Å; I306-V329 HydrophobicContact CG2-CB 4.25Å
307	A	98.3	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.9	176.9	0	0	0	0	0	112.3	D279 I282 V329 V330	D279-A307 WeakPolarHBondContact O-CA 3.25Å; D279-A307 WeakPolarHBondContact O-CB 3.22Å; I282-A307 HydrophobicContact CD1-CB 3.59Å; I282-A307 HydrophobicContact CG1-CB 3.5Å; I282-A307 VanDerWaalsContact CG1-CB 3.5Å; A307-V329 PolarHBondContact N-O 3.23Å; A307-V330 VanDerWaalsContact O-CA 3.3Å; A307-V330 WeakPolarHBondContact O-CA 3.37Å
308	T	98.2	Very high	95.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-48.6	175.6	-57.4	0	0	0	0	110.8	L152 D153 A172 D280 T331 T333	L152-T308 HydrophobicContact CD2-CG2 3.69Å; L152-T308 HydrophobicContact CG-CG2 3.93Å; D153-T308 HydrophobicContact CB-CG2 3.85Å; D153-T308 WeakPolarHBondContact OD2-CG2 2.87Å; D153-T308 PolarHBondContact OD2-OG1 3.47Å; A172-T308 HydrophobicContact CB-CG2 3.55Å; D280-T308 PolarHBondContact O-N 2.91Å; T308-T331 HydrophobicContact CG2-CG2 4.26Å; T308-T331 WeakPolarHBondContact O-CB 3.17Å; T308-T331 PolarHBondContact O-N 3.3Å; T308-T331 VanDerWaalsContact O-N 3.11Å; T308-T331 PolarHBondContact O-OG1 3.42Å; T308-T333 HydrophobicContact CG2-CG2 4.3Å; T308-T333 PolarHBondContact O-OG1 2.97Å
309	H	98.3	Very high	95.7	Very high	3 Å²	3	31 Å²	31	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.3	-173.4	-49.3	-65	0	0	0	111.8	P116 Y117 L152 D153 D280 I281 I282 T333	P116-H309 PolarHBondContact O-CE1 3.49Å; P116-H309 VanDerWaalsContact O-CE1 3.28Å; Y117-H309 HydrophobicContact CD2-CB 3.85Å; Y117-H309 AromaticContact CD2-CD2 3.75Å; Y117-H309 AromaticContact CD2-CG 3.48Å; Y117-H309 VanDerWaalsContact CD2-CG 3.48Å; Y117-H309 AromaticContact CD2-ND1 3.7Å; Y117-H309 HydrophobicContact CE2-CB 4.38Å; Y117-H309 HydrophobicContact CG-CB 4.46Å; L152-H309 PolarHBondContact O-CE1 2.91Å; L152-H309 PolarHBondContact O-NE2 2.94Å; D153-H309 PolarHBondContact O-NE2 3.23Å; D280-H309 PolarHBondContact O-CD2 3.35Å; D280-H309 PolarHBondContact O-N 2.96Å; I281-H309 CarbonylContact C-O 3.58Å; I281-H309 WeakPolarHBondContact CA-O 3.38Å; I281-H309 HydrophobicContact CG1-CB 4.02Å; I282-H309 PolarHBondContact N-O 3.27Å; H309-T333 WeakPolarHBondContact ND1-CB 3.42Å; H309-T333 PolarHBondContact ND1-OG1 3.14Å
310	G	97.4	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	75.1	176.8	0	0	0	0	0	113.3	I282 L312 V334 H336	I282-G310 CarbonylContact O-C 3.51Å; G310-L312 VanDerWaalsContact C-N 3.26Å; G310-L312 PolarHBondContact O-N 2.94Å; G310-V334 VanDerWaalsContact O-CG2 3.23Å; G310-V334 WeakPolarHBondContact O-CG2 3.4Å; G310-H336 PolarHBondContact O-CD2 2.92Å; G310-H336 PolarHBondContact O-NE2 2.88Å
311	L	96.3	Very high	95.6	Very high	27 Å²	27	33.6 Å²	33.6	14%	0.141	16%	0.16	C	C	.	.			trans	-62.1	-37.9	177.7	-55.2	-173.3	0	0	0	112.1	Y117 I281 I282 D283 S313 V334	Y117-L311 HydrophobicContact CD1-CD2 3.77Å; Y117-L311 HydrophobicContact CE1-CD1 4.03Å; Y117-L311 HydrophobicContact CE1-CD2 3.59Å; Y117-L311 HydrophobicContact CE1-CG 4.4Å; Y117-L311 HydrophobicContact CE2-CD2 4.46Å; Y117-L311 HydrophobicContact CG-CD2 4.29Å; I281-L311 HydrophobicContact CG2-CD1 4.01Å; I281-L311 HydrophobicContact CG2-CG 4.05Å; I282-L311 PolarHBondContact O-N 3.13Å; D283-L311 HydrophobicContact CB-CB 4.15Å; D283-L311 HydrophobicContact CB-CD1 4.09Å; D283-L311 HydrophobicContact CB-CG 4.49Å; L311-S313 VanDerWaalsContact C-N 3.28Å; L311-S313 PolarHBondContact O-N 2.89Å; L311-V334 HydrophobicContact CD2-CG1 3.84Å; L311-V334 HydrophobicContact CD2-CG2 4.21Å
312	L	95.1	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.			trans	44.7	55.9	173.6	-57.2	177.5	0	0	0	111	K87 I282 V285 G310 A316 L320 Q339 I346	K87-L312 PolarHBondContact NZ-O 3.11Å; I282-L312 HydrophobicContact CB-CD2 4.21Å; I282-L312 HydrophobicContact CG2-CD2 3.61Å; I282-L312 PolarHBondContact O-N 3.25Å; V285-L312 HydrophobicContact CG1-CD2 4.13Å; G310-L312 VanDerWaalsContact C-N 3.26Å; G310-L312 PolarHBondContact O-N 2.94Å; L312-A316 HydrophobicContact CB-CB 4.03Å; L312-A316 HydrophobicContact CD2-CB 4.41Å; L312-L320 HydrophobicContact CD2-CD1 4.07Å; L312-Q339 HydrophobicContact CB-CG 4.04Å; L312-Q339 HydrophobicContact CD1-CB 4.45Å; L312-I346 HydrophobicContact CD1-CD1 3.77Å; L312-I346 HydrophobicContact CD1-CG1 4.21Å; L312-I346 HydrophobicContact CD1-CG2 4.1Å
313	S	87.9	Confident	95.5	Very high	25 Å²	25	32.3 Å²	32.3	18%	0.175	16%	0.159	C	C	.	.			trans	-80.3	-179.9	-177.8	71.1	0	0	0	0	111.5	D283 L311 D315 A316	D283-S313 PolarHBondContact O-N 3.41Å; D283-S313 WeakPolarHBondContact OD1-CB 3.44Å; D283-S313 PolarHBondContact OD1-OG 2.87Å; L311-S313 VanDerWaalsContact C-N 3.28Å; L311-S313 PolarHBondContact O-N 2.89Å; S313-D315 PolarHBondContact O-N 3.01Å; S313-A316 WeakPolarHBondContact O-CB 3.45Å; S313-A316 PolarHBondContact O-N 2.81Å
314	L	84.3	Confident	95.4	Very high	140 Å²	140	38.3 Å²	38.3	73%	0.733	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	-138.3	-179.6	-54.7	178.2	0	0	0	111.7	A316	L314-A316 PolarHBondContact O-N 2.83Å
315	D	89.4	Confident	95.4	Very high	90 Å²	90	37.6 Å²	37.6	48%	0.481	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	21.2	176.9	-76.5	-2.9	0	0	0	112.9	S313 P317 R318 L319	S313-D315 PolarHBondContact O-N 3.01Å; D315-P317 VanDerWaalsContact C-CD 3.43Å; D315-P317 VanDerWaalsContact C-N 3.32Å; D315-P317 VanDerWaalsContact O-N 3.14Å; D315-R318 PolarHBondContact O-N 2.79Å; D315-R318 IonicContact OD2-CZ 2.9Å; D315-R318 IonicContact OD2-NE 4Å; D315-R318 IonicContact OD2-NH2 3.41Å; D315-R318 PolarHBondContact OD2-NH2 3.01Å; D315-R318 VanDerWaalsContact OD2-NH2 3.09Å; D315-L319 HydrophobicContact CB-CD1 4.44Å; D315-L319 HydrophobicContact CB-CG 4.3Å; D315-L319 PolarHBondContact O-N 3.06Å
316	A	93.7	Very high	95.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-48.1	-45.2	-174.9	0	0	0	0	0	114.3	V285 L312 S313 L314 R318 L319 L320	V285-A316 HydrophobicContact CB-CB 4.42Å; V285-A316 HydrophobicContact CG1-CB 3.58Å; V285-A316 HydrophobicContact CG2-CB 3.96Å; L312-A316 HydrophobicContact CB-CB 4.03Å; L312-A316 HydrophobicContact CD2-CB 4.41Å; S313-A316 WeakPolarHBondContact O-CB 3.45Å; S313-A316 PolarHBondContact O-N 2.81Å; L314-A316 PolarHBondContact O-N 2.83Å; A316-R318 PolarHBondContact O-N 2.77Å; A316-L319 PolarHBondContact O-N 3.4Å; A316-L320 WeakPolarHBondContact O-CB 3.48Å; A316-L320 WeakPolarHBondContact O-CG 3.34Å; A316-L320 PolarHBondContact O-N 2.74Å
317	P	93.9	Very high	95.4	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-45.8	177.9	-25	35.5	0	0	0	113.2	D315 L320 E321 Q339 Q342 C343	D315-P317 VanDerWaalsContact C-CD 3.43Å; D315-P317 VanDerWaalsContact C-N 3.32Å; D315-P317 VanDerWaalsContact O-N 3.14Å; P317-L320 PolarHBondContact O-N 2.83Å; P317-E321 WeakPolarHBondContact O-CB 3.22Å; P317-E321 PolarHBondContact O-N 2.84Å; P317-Q339 HydrophobicContact CG-CB 3.88Å; P317-Q339 HydrophobicContact CG-CG 3.83Å; P317-Q342 HydrophobicContact CB-CB 3.7Å; P317-Q342 HydrophobicContact CG-CB 4.43Å; P317-C343 HydrophobicContact CB-CB 3.82Å; P317-C343 WeakPolarHBondContact O-CB 3.33Å
318	R	95.4	Very high	95.4	Very high	109 Å²	109	42.9 Å²	42.9	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-65.9	-47.1	-179.6	-175.5	-175.9	65	73.2	1.6	111.4	D315 A316 L320 E321 E322	D315-R318 PolarHBondContact O-N 2.79Å; D315-R318 IonicContact OD2-CZ 2.9Å; D315-R318 IonicContact OD2-NE 4Å; D315-R318 IonicContact OD2-NH2 3.41Å; D315-R318 PolarHBondContact OD2-NH2 3.01Å; D315-R318 VanDerWaalsContact OD2-NH2 3.09Å; A316-R318 PolarHBondContact O-N 2.77Å; R318-L320 VanDerWaalsContact C-N 3.32Å; R318-L320 PolarHBondContact O-N 3.05Å; R318-E321 WeakPolarHBondContact O-CB 3.41Å; R318-E321 PolarHBondContact O-N 2.93Å; R318-E322 WeakPolarHBondContact CG-OE1 3.5Å; R318-E322 VanDerWaalsContact NH1-CD 3.31Å; R318-E322 IonicContact NH1-OE1 3.46Å; R318-E322 PolarHBondContact NH1-OE1 2.88Å; R318-E322 IonicContact NH1-OE2 2.98Å; R318-E322 PolarHBondContact NH1-OE2 3.12Å; R318-E322 WeakPolarHBondContact O-CG 3.26Å; R318-E322 PolarHBondContact O-N 3.38Å
319	L	96.3	Very high	95.4	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.246	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-39.6	179.2	-68.2	176.8	0	0	0	111.9	V285 D315 A316 S323	V285-L319 HydrophobicContact CG2-CB 3.61Å; V285-L319 HydrophobicContact CG2-CD1 3.72Å; V285-L319 HydrophobicContact CG2-CG 4.32Å; D315-L319 HydrophobicContact CB-CD1 4.44Å; D315-L319 HydrophobicContact CB-CG 4.3Å; D315-L319 PolarHBondContact O-N 3.06Å; A316-L319 PolarHBondContact O-N 3.4Å; L319-S323 WeakPolarHBondContact O-CB 3.27Å; L319-S323 PolarHBondContact O-N 2.8Å
320	L	97.1	Very high	95.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-44.3	175.9	-72.4	174.6	0	0	0	111.5	V285 L312 A316 P317 R318 E322 S323 I325 V328 K345 I346	V285-L320 HydrophobicContact CB-CD2 4.14Å; V285-L320 HydrophobicContact CB-CG 4.34Å; V285-L320 HydrophobicContact CG1-CD1 4.14Å; V285-L320 HydrophobicContact CG1-CD2 4.05Å; V285-L320 HydrophobicContact CG1-CG 4.02Å; V285-L320 HydrophobicContact CG2-CG 4.46Å; L312-L320 HydrophobicContact CD2-CD1 4.07Å; A316-L320 WeakPolarHBondContact O-CB 3.48Å; A316-L320 WeakPolarHBondContact O-CG 3.34Å; A316-L320 PolarHBondContact O-N 2.74Å; P317-L320 PolarHBondContact O-N 2.83Å; R318-L320 VanDerWaalsContact C-N 3.32Å; R318-L320 PolarHBondContact O-N 3.05Å; L320-E322 PolarHBondContact O-N 3.27Å; L320-S323 PolarHBondContact O-N 3.46Å; L320-S323 PolarHBondContact O-OG 3.09Å; L320-I325 HydrophobicContact CD2-CD1 3.67Å; L320-V328 HydrophobicContact CD1-CB 4.43Å; L320-V328 HydrophobicContact CD1-CG2 3.81Å; L320-V328 HydrophobicContact CD2-CG2 3.62Å; L320-V328 HydrophobicContact CG-CG2 4.28Å; L320-K345 WeakPolarHBondContact O-CD 3.39Å; L320-K345 PolarHBondContact O-NZ 3.17Å; L320-I346 HydrophobicContact CD1-CD1 4.5Å; L320-I346 HydrophobicContact CD1-CG1 4.29Å
321	E	95.8	Very high	95.5	Very high	72 Å²	72	42.7 Å²	42.7	34%	0.336	21%	0.205	S	C	.	.	H	α-helix	trans	-57.6	-46.6	178.1	-168.2	65.9	-158.6	0	0	111.9	P317 R318 S323 C343 H344 K345	P317-E321 WeakPolarHBondContact O-CB 3.22Å; P317-E321 PolarHBondContact O-N 2.84Å; R318-E321 WeakPolarHBondContact O-CB 3.41Å; R318-E321 PolarHBondContact O-N 2.93Å; E321-S323 VanDerWaalsContact C-N 3.32Å; E321-S323 PolarHBondContact O-N 2.92Å; E321-C343 PolarHBondContact OE2-SG 3.18Å; E321-C343 VanDerWaalsContact OE2-SG 3.37Å; E321-H344 IonicContact OE1-CE1 3.65Å; E321-H344 PolarHBondContact OE1-CE1 3.01Å; E321-H344 IonicContact OE1-ND1 3.69Å; E321-H344 PolarHBondContact OE1-ND1 3.4Å; E321-H344 IonicContact OE2-CE1 3.68Å; E321-H344 PolarHBondContact OE2-CE1 2.86Å; E321-H344 IonicContact OE2-CG 3.64Å; E321-H344 PolarHBondContact OE2-N 3.38Å; E321-H344 IonicContact OE2-ND1 3.53Å; E321-H344 PolarHBondContact OE2-ND1 3.09Å; E321-K345 WeakPolarHBondContact O-CE 3.5Å; E321-K345 PolarHBondContact O-NZ 3.34Å
322	E	96.2	Very high	95.5	Very high	131 Å²	131	42.4 Å²	42.4	61%	0.612	20%	0.204	S	C	*	.	H	α-helix	trans	-74.7	-18.2	179.5	-67.5	169	-166.4	0	0	113.6	R318 L320	R318-E322 WeakPolarHBondContact CG-OE1 3.5Å; R318-E322 VanDerWaalsContact NH1-CD 3.31Å; R318-E322 IonicContact NH1-OE1 3.46Å; R318-E322 PolarHBondContact NH1-OE1 2.88Å; R318-E322 IonicContact NH1-OE2 2.98Å; R318-E322 PolarHBondContact NH1-OE2 3.12Å; R318-E322 WeakPolarHBondContact O-CG 3.26Å; R318-E322 PolarHBondContact O-N 3.38Å; L320-E322 PolarHBondContact O-N 3.27Å
323	S	97.3	Very high	95.7	Very high	11 Å²	11	42.4 Å²	42.4	8%	0.077	20%	0.204	C	C	.	.	S	Bend	trans	-81	170.2	-175.3	75.9	0	0	0	0	114.7	L319 L320 E321 I325 K345	L319-S323 WeakPolarHBondContact O-CB 3.27Å; L319-S323 PolarHBondContact O-N 2.8Å; L320-S323 PolarHBondContact O-N 3.46Å; L320-S323 PolarHBondContact O-OG 3.09Å; E321-S323 VanDerWaalsContact C-N 3.32Å; E321-S323 PolarHBondContact O-N 2.92Å; S323-I325 PolarHBondContact O-N 2.76Å; S323-I325 WeakPolarHBondContact OG-CB 3.36Å; S323-I325 PolarHBondContact OG-N 2.95Å; S323-K345 PolarHBondContact O-NZ 2.94Å
324	R	96.7	Very high	96.2	Very high	126 Å²	126	41.4 Å²	41.4	48%	0.475	20%	0.196	S	C	.	.	S	Bend	trans	-77.5	1.5	171.9	-57.6	-72.3	176	68	-6.7	114.7	E293 R296 D326	E293-R324 VanDerWaalsContact CD-CG 3.48Å; E293-R324 WeakPolarHBondContact OE1-CG 3.3Å; E293-R324 WeakPolarHBondContact OE2-CG 3.5Å; E293-R324 IonicContact OE2-CZ 3.42Å; E293-R324 IonicContact OE2-NE 3.83Å; E293-R324 IonicContact OE2-NH1 2.75Å; E293-R324 PolarHBondContact OE2-NH1 3.1Å; R296-R324 HydrophobicContact CG-CG 4.46Å; R324-D326 PolarHBondContact O-N 3.48Å
325	I	98.6	Very high	96.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.173	C	C	.	.			trans	-70.9	129.2	172	-62.2	164.2	0	0	0	107.4	F288 V289 A292 I303 V305 L320 S323 V328 K345	F288-I325 HydrophobicContact CB-CD1 4.24Å; V289-I325 HydrophobicContact CG2-CD1 4.27Å; A292-I325 HydrophobicContact CB-CD1 4.3Å; A292-I325 HydrophobicContact CB-CG1 3.56Å; I303-I325 HydrophobicContact CG2-CG1 4.47Å; V305-I325 HydrophobicContact CG2-CD1 3.81Å; V305-I325 HydrophobicContact CG2-CG1 4.05Å; V305-I325 HydrophobicContact CG2-CG2 3.9Å; L320-I325 HydrophobicContact CD2-CD1 3.67Å; S323-I325 PolarHBondContact O-N 2.76Å; S323-I325 WeakPolarHBondContact OG-CB 3.36Å; S323-I325 PolarHBondContact OG-N 2.95Å; I325-V328 HydrophobicContact CG2-CG2 3.79Å; I325-K345 VanDerWaalsContact O-CD 3.29Å; I325-K345 WeakPolarHBondContact O-CD 3.32Å; I325-K345 WeakPolarHBondContact O-CE 3.2Å; I325-K345 PolarHBondContact O-NZ 3.36Å
326	D	98.2	Very high	97	Very high	75 Å²	75	32.3 Å²	32.3	40%	0.401	15%	0.151	S	C	.	.			trans	-80.4	-43.4	177	-67.7	-88	0	0	0	110.8	K302 I303 R324	K302-D326 WeakPolarHBondContact CA-OD2 3.49Å; I303-D326 PolarHBondContact N-OD2 2.99Å; I303-D326 PolarHBondContact O-N 2.77Å; R324-D326 PolarHBondContact O-N 3.48Å
327	E	98.2	Very high	96.9	Very high	36 Å²	36	36.9 Å²	36.9	17%	0.168	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	141.9	-176.1	-163.6	176.8	113	0	0	112.2	Y179 F304 V305 V329 K345 R347	Y179-E327 WeakPolarHBondContact CE1-OE1 3.41Å; Y179-E327 PolarHBondContact OH-OE1 3.4Å; F304-E327 WeakPolarHBondContact CA-O 3.37Å; F304-E327 HydrophobicContact CD1-CB 3.66Å; F304-E327 HydrophobicContact CD1-CG 4.49Å; F304-E327 HydrophobicContact CE1-CB 3.74Å; V305-E327 PolarHBondContact N-O 3.2Å; E327-V329 HydrophobicContact CG-CG2 4.27Å; E327-V329 WeakPolarHBondContact OE1-CG2 3.47Å; E327-K345 WeakPolarHBondContact CA-O 3.41Å; E327-K345 WeakPolarHBondContact CG-O 3.25Å; E327-R347 VanDerWaalsContact CD-CG 3.43Å; E327-R347 HydrophobicContact CG-CB 4.49Å; E327-R347 HydrophobicContact CG-CG 3.67Å; E327-R347 WeakPolarHBondContact OE1-CG 3.32Å; E327-R347 IonicContact OE2-NE 2.91Å
328	V	98.6	Very high	96.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.5	172.9	178.8	0	0	0	0	109.1	I282 V305 L320 I325 V330 K345 I346 R347	I282-V328 HydrophobicContact CD1-CG1 3.62Å; V305-V328 HydrophobicContact CB-CG2 4.28Å; V305-V328 CarbonylContact O-C 3.59Å; V305-V328 VanDerWaalsContact O-CA 3.3Å; V305-V328 WeakPolarHBondContact O-CA 3.28Å; L320-V328 HydrophobicContact CD1-CB 4.43Å; L320-V328 HydrophobicContact CD1-CG2 3.81Å; L320-V328 HydrophobicContact CD2-CG2 3.62Å; L320-V328 HydrophobicContact CG-CG2 4.28Å; I325-V328 HydrophobicContact CG2-CG2 3.79Å; V328-V330 HydrophobicContact CG1-CG1 4.1Å; V328-K345 PolarHBondContact N-O 2.94Å; V328-I346 CarbonylContact O-C 3.59Å; V328-I346 WeakPolarHBondContact O-CA 3.4Å; V328-R347 PolarHBondContact O-N 3.28Å
329	V	98.7	Very high	96.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.4	-177.8	-170.9	0	0	0	0	109.3	L176 Y179 V305 I306 A307 E327 R347 V349	L176-V329 HydrophobicContact CD2-CG1 4.36Å; Y179-V329 HydrophobicContact CD1-CB 4.41Å; Y179-V329 HydrophobicContact CD1-CG1 3.74Å; Y179-V329 HydrophobicContact CD1-CG2 3.94Å; Y179-V329 HydrophobicContact CD2-CG1 4.16Å; Y179-V329 HydrophobicContact CE1-CB 4.18Å; Y179-V329 HydrophobicContact CE1-CG1 3.75Å; Y179-V329 HydrophobicContact CE1-CG2 3.33Å; Y179-V329 HydrophobicContact CE2-CG1 4.15Å; Y179-V329 HydrophobicContact CG-CG1 3.96Å; V305-V329 PolarHBondContact O-N 2.94Å; I306-V329 VanDerWaalsContact CA-O 3.31Å; I306-V329 WeakPolarHBondContact CA-O 3.16Å; I306-V329 HydrophobicContact CB-CB 4.46Å; I306-V329 HydrophobicContact CD1-CB 4.48Å; I306-V329 HydrophobicContact CD1-CG2 4.41Å; I306-V329 HydrophobicContact CG1-CB 3.99Å; I306-V329 HydrophobicContact CG1-CG2 4.14Å; I306-V329 HydrophobicContact CG2-CB 4.25Å; A307-V329 PolarHBondContact N-O 3.23Å; E327-V329 HydrophobicContact CG-CG2 4.27Å; E327-V329 WeakPolarHBondContact OE1-CG2 3.47Å; V329-R347 HydrophobicContact CG2-CB 4.39Å; V329-V349 HydrophobicContact CG1-CG2 3.67Å
330	V	98.5	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	167	179.1	-66.1	0	0	0	0	111.1	I282 A307 V328 I346 R347 T348 V349	I282-V330 HydrophobicContact CD1-CG1 3.87Å; A307-V330 VanDerWaalsContact O-CA 3.3Å; A307-V330 WeakPolarHBondContact O-CA 3.37Å; V328-V330 HydrophobicContact CG1-CG1 4.1Å; V330-I346 HydrophobicContact CG2-CG2 4.43Å; V330-R347 PolarHBondContact N-O 2.74Å; V330-T348 CarbonylContact O-C 3.54Å; V330-T348 WeakPolarHBondContact O-CA 3.44Å; V330-V349 PolarHBondContact O-N 2.93Å
331	T	98.7	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	161.3	171.1	72.2	0	0	0	0	111.4	A172 L176 T308 T333 H336 V349 I351	A172-T331 HydrophobicContact CB-CG2 3.79Å; L176-T331 HydrophobicContact CD1-CG2 4.43Å; L176-T331 HydrophobicContact CD2-CG2 4.07Å; L176-T331 HydrophobicContact CG-CG2 4.39Å; T308-T331 HydrophobicContact CG2-CG2 4.26Å; T308-T331 WeakPolarHBondContact O-CB 3.17Å; T308-T331 PolarHBondContact O-N 3.3Å; T308-T331 VanDerWaalsContact O-N 3.11Å; T308-T331 PolarHBondContact O-OG1 3.42Å; T331-T333 PolarHBondContact O-N 2.75Å; T331-T333 WeakPolarHBondContact OG1-CG2 3.41Å; T331-T333 PolarHBondContact OG1-N 2.84Å; T331-T333 PolarHBondContact OG1-OG1 3.05Å; T331-H336 PolarHBondContact O-CE1 3.48Å; T331-V349 CarbonylContact C-O 3.51Å; T331-V349 WeakPolarHBondContact CA-O 3.35Å; T331-I351 HydrophobicContact CG2-CG2 3.67Å
332	N	97.9	Very high	96.3	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.112	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	34.9	171.2	61.4	-18.8	0	0	0	113.3	H38 V334 T348 V349 D350 I351	H38-N332 PolarHBondContact CD2-O 3.42Å; H38-N332 PolarHBondContact NE2-O 3.05Å; N332-V334 PolarHBondContact O-N 3.36Å; N332-T348 HydrophobicContact CB-CG2 3.64Å; N332-T348 VanDerWaalsContact N-CG2 3.29Å; N332-V349 PolarHBondContact N-O 2.77Å; N332-V349 VanDerWaalsContact N-O 3.11Å; N332-V349 PolarHBondContact OD1-O 2.88Å; N332-D350 PolarHBondContact ND2-OD1 3.14Å; N332-D350 WeakPolarHBondContact OD1-CA 3.38Å; N332-D350 PolarHBondContact OD1-OD1 3.03Å; N332-I351 VanDerWaalsContact OD1-CD1 3.32Å; N332-I351 WeakPolarHBondContact OD1-CD1 3.48Å; N332-I351 WeakPolarHBondContact OD1-CG1 3.4Å; N332-I351 PolarHBondContact OD1-N 3Å
333	T	98.5	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.9	169.3	45.4	0	0	0	0	112	S84 P116 L152 T308 H309 T331 I351	S84-T333 WeakPolarHBondContact CB-O 3.47Å; S84-T333 PolarHBondContact OG-O 3.22Å; P116-T333 HydrophobicContact CB-CG2 3.7Å; L152-T333 HydrophobicContact CB-CG2 4.2Å; L152-T333 HydrophobicContact CD2-CG2 3.29Å; L152-T333 HydrophobicContact CG-CG2 4.29Å; T308-T333 HydrophobicContact CG2-CG2 4.3Å; T308-T333 PolarHBondContact O-OG1 2.97Å; H309-T333 WeakPolarHBondContact ND1-CB 3.42Å; H309-T333 PolarHBondContact ND1-OG1 3.14Å; T331-T333 PolarHBondContact O-N 2.75Å; T331-T333 WeakPolarHBondContact OG1-CG2 3.41Å; T331-T333 PolarHBondContact OG1-N 2.84Å; T331-T333 PolarHBondContact OG1-OG1 3.05Å; T333-I351 HydrophobicContact CG2-CG1 4.28Å
334	V	97.4	Very high	96.2	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	23%	0.226	C	C	.	.	S	Bend	trans	-131.4	155.6	173.3	-60.2	0	0	0	0	109.1	G85 Y117 G310 L311 N332 H336	G85-V334 WeakPolarHBondContact O-CG1 3.47Å; Y117-V334 HydrophobicContact CD1-CG1 4.05Å; Y117-V334 HydrophobicContact CG-CG1 4.13Å; G310-V334 VanDerWaalsContact O-CG2 3.23Å; G310-V334 WeakPolarHBondContact O-CG2 3.4Å; L311-V334 HydrophobicContact CD2-CG1 3.84Å; L311-V334 HydrophobicContact CD2-CG2 4.21Å; N332-V334 PolarHBondContact O-N 3.36Å; V334-H336 WeakPolarHBondContact CG2-NE2 3.43Å; V334-H336 PolarHBondContact O-CE1 2.85Å; V334-H336 PolarHBondContact O-ND1 3.4Å
335	P	96.6	Very high	96.2	Very high	37 Å²	37	42 Å²	42	24%	0.24	21%	0.208	C	C	.	.			trans	-71.7	146	179.4	29.1	-36	0	0	0	112.3	T86 E337	T86-P335 HydrophobicContact CG2-CG 4.14Å; P335-E337 VanDerWaalsContact CB-OE2 3.3Å; P335-E337 WeakPolarHBondContact CB-OE2 3.44Å
336	H	94.2	Very high	96.2	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.014	21%	0.209	C	C	.	.			trans	-135	6.1	-175.4	-53.4	103.5	0	0	0	114.1	G310 T331 V334 V338 Q339 K340	G310-H336 PolarHBondContact O-CD2 2.92Å; G310-H336 PolarHBondContact O-NE2 2.88Å; T331-H336 PolarHBondContact O-CE1 3.48Å; V334-H336 WeakPolarHBondContact CG2-NE2 3.43Å; V334-H336 PolarHBondContact O-CE1 2.85Å; V334-H336 PolarHBondContact O-ND1 3.4Å; H336-V338 VanDerWaalsContact C-N 3.28Å; H336-V338 PolarHBondContact O-N 2.88Å; H336-Q339 PolarHBondContact O-N 3.35Å; H336-Q339 VanDerWaalsContact O-N 3.14Å; H336-K340 HydrophobicContact CB-CG 4.41Å; H336-K340 WeakPolarHBondContact O-CG 3.2Å; H336-K340 PolarHBondContact O-N 2.97Å
337	E	91.7	Very high	96.2	Very high	96 Å²	96	44.8 Å²	44.8	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-57.4	-43.6	-170.9	-69.6	71	-161.8	0	0	111.1	P335 M341	P335-E337 VanDerWaalsContact CB-OE2 3.3Å; P335-E337 WeakPolarHBondContact CB-OE2 3.44Å; E337-M341 WeakPolarHBondContact O-CG 3.33Å; E337-M341 PolarHBondContact O-N 3.44Å
338	V	91.9	Very high	96.2	Very high	81 Å²	81	45.1 Å²	45.1	49%	0.491	22%	0.218	S	C	.	.	H	α-helix	trans	-65.9	-43.2	178.4	179.3	0	0	0	0	111.7	H336 M341	H336-V338 VanDerWaalsContact C-N 3.28Å; H336-V338 PolarHBondContact O-N 2.88Å; V338-M341 HydrophobicContact CB-CE 4.48Å; V338-M341 HydrophobicContact CG2-CE 4.35Å; V338-M341 PolarHBondContact O-N 3.46Å
339	Q	93.6	Very high	96.2	Very high	13 Å²	13	45.9 Å²	45.9	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-66.7	-40.8	-179.5	-67.7	87.8	-30.8	0	0	111.4	L312 P317 H336 M341 Q342 C343 I346	L312-Q339 HydrophobicContact CB-CG 4.04Å; L312-Q339 HydrophobicContact CD1-CB 4.45Å; P317-Q339 HydrophobicContact CG-CB 3.88Å; P317-Q339 HydrophobicContact CG-CG 3.83Å; H336-Q339 PolarHBondContact O-N 3.35Å; H336-Q339 VanDerWaalsContact O-N 3.14Å; Q339-M341 VanDerWaalsContact C-N 3.3Å; Q339-M341 PolarHBondContact O-N 2.64Å; Q339-Q342 PolarHBondContact O-N 3.48Å; Q339-C343 PolarHBondContact O-N 3.3Å; Q339-I346 HydrophobicContact CB-CD1 3.83Å
340	K	94.3	Very high	96.2	Very high	85 Å²	85	49.1 Å²	49.1	37%	0.37	24%	0.24	S	C	.	.	H	α-helix	trans	-66.4	-28.2	177.7	-75.8	179.3	177.2	175.4	0	113.9	H336 Q342 I346 T348	H336-K340 HydrophobicContact CB-CG 4.41Å; H336-K340 WeakPolarHBondContact O-CG 3.2Å; H336-K340 PolarHBondContact O-N 2.97Å; K340-Q342 PolarHBondContact O-N 2.98Å; K340-I346 HydrophobicContact CG-CB 4.09Å; K340-I346 HydrophobicContact CG-CG2 3.97Å; K340-T348 WeakPolarHBondContact CE-OG1 3.44Å; K340-T348 PolarHBondContact NZ-OG1 3.28Å
341	M	93.5	Very high	96.1	Very high	152 Å²	152	49.1 Å²	49.1	75%	0.749	24%	0.24	S	C	*	.	H	α-helix	trans	-67.6	-21.9	172.4	-72.6	-172.9	-71.8	0	0	112.5	E337 V338 Q339	E337-M341 WeakPolarHBondContact O-CG 3.33Å; E337-M341 PolarHBondContact O-N 3.44Å; V338-M341 HydrophobicContact CB-CE 4.48Å; V338-M341 HydrophobicContact CG2-CE 4.35Å; V338-M341 PolarHBondContact O-N 3.46Å; Q339-M341 VanDerWaalsContact C-N 3.3Å; Q339-M341 PolarHBondContact O-N 2.64Å
342	Q	93	Very high	96.1	Very high	124 Å²	124	49.1 Å²	49.1	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-104.9	-17.7	-176.2	-63.3	175.6	43.8	0	0	113.5	P317 Q339 K340	P317-Q342 HydrophobicContact CB-CB 3.7Å; P317-Q342 HydrophobicContact CG-CB 4.43Å; Q339-Q342 PolarHBondContact O-N 3.48Å; K340-Q342 PolarHBondContact O-N 2.98Å
343	C	95.4	Very high	96.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	25%	0.25	C	C	.	.			trans	-143.3	119.9	-178.1	-177.8	0	0	0	0	110.8	P317 E321 Q339 K345 I346	P317-C343 HydrophobicContact CB-CB 3.82Å; P317-C343 WeakPolarHBondContact O-CB 3.33Å; E321-C343 PolarHBondContact OE2-SG 3.18Å; E321-C343 VanDerWaalsContact OE2-SG 3.37Å; Q339-C343 PolarHBondContact O-N 3.3Å; C343-K345 VanDerWaalsContact C-N 3.26Å; C343-K345 PolarHBondContact O-N 3.38Å; C343-I346 HydrophobicContact CB-CD1 3.82Å; C343-I346 HydrophobicContact CB-CG1 4.24Å
344	H	96.1	Very high	96	Very high	129 Å²	129	51 Å²	51	60%	0.597	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.3	-175.8	71.3	-83.4	0	0	0	113.2	E321 I346	E321-H344 IonicContact OE1-CE1 3.65Å; E321-H344 PolarHBondContact OE1-CE1 3.01Å; E321-H344 IonicContact OE1-ND1 3.69Å; E321-H344 PolarHBondContact OE1-ND1 3.4Å; E321-H344 IonicContact OE2-CE1 3.68Å; E321-H344 PolarHBondContact OE2-CE1 2.86Å; E321-H344 IonicContact OE2-CG 3.64Å; E321-H344 PolarHBondContact OE2-N 3.38Å; E321-H344 IonicContact OE2-ND1 3.53Å; E321-H344 PolarHBondContact OE2-ND1 3.09Å; H344-I346 VanDerWaalsContact C-N 3.3Å; H344-I346 PolarHBondContact O-N 3.44Å
345	K	97.7	Very high	96.1	Very high	23 Å²	23	50.9 Å²	50.9	10%	0.1	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.9	-178	-56.1	179.9	178.1	-177.4	0	113.4	L320 E321 S323 I325 E327 V328 C343	L320-K345 WeakPolarHBondContact O-CD 3.39Å; L320-K345 PolarHBondContact O-NZ 3.17Å; E321-K345 WeakPolarHBondContact O-CE 3.5Å; E321-K345 PolarHBondContact O-NZ 3.34Å; S323-K345 PolarHBondContact O-NZ 2.94Å; I325-K345 VanDerWaalsContact O-CD 3.29Å; I325-K345 WeakPolarHBondContact O-CD 3.32Å; I325-K345 WeakPolarHBondContact O-CE 3.2Å; I325-K345 PolarHBondContact O-NZ 3.36Å; E327-K345 WeakPolarHBondContact CA-O 3.41Å; E327-K345 WeakPolarHBondContact CG-O 3.25Å; V328-K345 PolarHBondContact N-O 2.94Å; C343-K345 VanDerWaalsContact C-N 3.26Å; C343-K345 PolarHBondContact O-N 3.38Å
346	I	98.1	Very high	96.1	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.6	-176.2	-59	164.2	0	0	0	110.8	L312 L320 V328 V330 Q339 K340 C343 H344	L312-I346 HydrophobicContact CD1-CD1 3.77Å; L312-I346 HydrophobicContact CD1-CG1 4.21Å; L312-I346 HydrophobicContact CD1-CG2 4.1Å; L320-I346 HydrophobicContact CD1-CD1 4.5Å; L320-I346 HydrophobicContact CD1-CG1 4.29Å; V328-I346 CarbonylContact O-C 3.59Å; V328-I346 WeakPolarHBondContact O-CA 3.4Å; V330-I346 HydrophobicContact CG2-CG2 4.43Å; Q339-I346 HydrophobicContact CB-CD1 3.83Å; K340-I346 HydrophobicContact CG-CB 4.09Å; K340-I346 HydrophobicContact CG-CG2 3.97Å; C343-I346 HydrophobicContact CB-CD1 3.82Å; C343-I346 HydrophobicContact CB-CG1 4.24Å; H344-I346 VanDerWaalsContact C-N 3.3Å; H344-I346 PolarHBondContact O-N 3.44Å
347	R	97.8	Very high	96.2	Very high	128 Å²	128	51.5 Å²	51.5	48%	0.483	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	146	173.4	-60.9	-60.9	-172.2	-175.6	-4.5	110.6	Y179 E327 V328 V329 V330	Y179-R347 WeakPolarHBondContact OH-CG 3.49Å; E327-R347 VanDerWaalsContact CD-CG 3.43Å; E327-R347 HydrophobicContact CG-CB 4.49Å; E327-R347 HydrophobicContact CG-CG 3.67Å; E327-R347 WeakPolarHBondContact OE1-CG 3.32Å; E327-R347 IonicContact OE2-NE 2.91Å; V328-R347 PolarHBondContact O-N 3.28Å; V329-R347 HydrophobicContact CG2-CB 4.39Å; V330-R347 PolarHBondContact N-O 2.74Å
348	T	98.1	Very high	96.5	Very high	43 Å²	43	47 Å²	47	26%	0.264	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.2	178.8	-55.7	0	0	0	0	111.2	V330 N332 K340	V330-T348 CarbonylContact O-C 3.54Å; V330-T348 WeakPolarHBondContact O-CA 3.44Å; N332-T348 HydrophobicContact CB-CG2 3.64Å; N332-T348 VanDerWaalsContact N-CG2 3.29Å; K340-T348 WeakPolarHBondContact CE-OG1 3.44Å; K340-T348 PolarHBondContact NZ-OG1 3.28Å
349	V	98.4	Very high	96.7	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.2	171.5	-177.7	0	0	0	0	108.7	F175 L176 Y179 V329 V330 T331 N332	F175-V349 HydrophobicContact CB-CG1 3.81Å; F175-V349 HydrophobicContact CD1-CG1 4.38Å; L176-V349 HydrophobicContact CD2-CB 4.32Å; L176-V349 HydrophobicContact CD2-CG2 4.06Å; Y179-V349 HydrophobicContact CD2-CG2 3.56Å; Y179-V349 HydrophobicContact CE2-CG2 4.2Å; Y179-V349 HydrophobicContact CG-CG2 4.02Å; V329-V349 HydrophobicContact CG1-CG2 3.67Å; V330-V349 PolarHBondContact O-N 2.93Å; T331-V349 CarbonylContact C-O 3.51Å; T331-V349 WeakPolarHBondContact CA-O 3.35Å; N332-V349 PolarHBondContact N-O 2.77Å; N332-V349 VanDerWaalsContact N-O 3.11Å; N332-V349 PolarHBondContact OD1-O 2.88Å
350	D	98.2	Very high	96.8	Very high	69 Å²	69	46.1 Å²	46.1	37%	0.369	22%	0.218	S	C	.	.			trans	-79.6	122.6	-178.8	-176.9	19	0	0	0	111.5	N332 S352	N332-D350 PolarHBondContact ND2-OD1 3.14Å; N332-D350 WeakPolarHBondContact OD1-CA 3.38Å; N332-D350 PolarHBondContact OD1-OD1 3.03Å; D350-S352 WeakPolarHBondContact OD1-CB 3.21Å; D350-S352 PolarHBondContact OD1-N 3.28Å; D350-S352 PolarHBondContact OD1-OG 3.5Å; D350-S352 PolarHBondContact OD2-OG 2.93Å; D350-S352 VanDerWaalsContact OD2-OG 3.05Å
351	I	97.9	Very high	96.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.206	C	C	.	.			trans	-106.5	4.4	176.4	57.9	52.8	0	0	0	113.2	L41 L152 T331 N332 T333 P353 L354 L355	L41-I351 HydrophobicContact CD1-CD1 3.71Å; L41-I351 HydrophobicContact CD2-CD1 4.48Å; L152-I351 HydrophobicContact CD2-CB 4.32Å; L152-I351 HydrophobicContact CD2-CG1 3.94Å; L152-I351 HydrophobicContact CD2-CG2 4.24Å; T331-I351 HydrophobicContact CG2-CG2 3.67Å; N332-I351 VanDerWaalsContact OD1-CD1 3.32Å; N332-I351 WeakPolarHBondContact OD1-CD1 3.48Å; N332-I351 WeakPolarHBondContact OD1-CG1 3.4Å; N332-I351 PolarHBondContact OD1-N 3Å; T333-I351 HydrophobicContact CG2-CG1 4.28Å; I351-P353 VanDerWaalsContact C-N 3.31Å; I351-L354 WeakPolarHBondContact O-CB 3.37Å; I351-L354 PolarHBondContact O-N 3.23Å; I351-L355 HydrophobicContact CD1-CD1 3.52Å; I351-L355 HydrophobicContact CD1-CG 3.96Å; I351-L355 PolarHBondContact O-N 2.72Å; I351-L355 VanDerWaalsContact O-N 3.15Å
352	S	98.3	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.7	-34.4	176.1	62.1	0	0	0	0	114.2	A44 H48 D350 L354 L355 A356	A44-S352 WeakPolarHBondContact CB-OG 3.47Å; H48-S352 PolarHBondContact CD2-OG 2.77Å; H48-S352 VanDerWaalsContact CD2-OG 3.22Å; H48-S352 PolarHBondContact NE2-OG 3.1Å; D350-S352 WeakPolarHBondContact OD1-CB 3.21Å; D350-S352 PolarHBondContact OD1-N 3.28Å; D350-S352 PolarHBondContact OD1-OG 3.5Å; D350-S352 PolarHBondContact OD2-OG 2.93Å; D350-S352 VanDerWaalsContact OD2-OG 3.05Å; S352-L354 VanDerWaalsContact C-N 3.27Å; S352-L354 PolarHBondContact O-N 3.36Å; S352-L355 PolarHBondContact O-N 2.77Å; S352-A356 VanDerWaalsContact O-CB 3.22Å; S352-A356 WeakPolarHBondContact O-CB 3.38Å; S352-A356 PolarHBondContact O-N 2.85Å
353	P	97.2	Very high	97	Very high	48 Å²	48	33.5 Å²	33.5	31%	0.312	16%	0.156	S	C	.	.	H	α-helix	trans	-61.4	-36.7	174.2	-19.9	30.4	0	0	0	112.7	I351 E357	I351-P353 VanDerWaalsContact C-N 3.31Å; P353-E357 WeakPolarHBondContact O-CB 3.44Å; P353-E357 PolarHBondContact O-N 3.17Å
354	L	97.1	Very high	96.9	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.063	18%	0.176	C	C	.	.	H	α-helix	trans	-69.2	-45.6	179.5	176.5	61.2	0	0	0	111.3	L152 L170 R171 F175 I351 S352 E357 A358 L371	L152-L354 HydrophobicContact CD1-CD2 3.63Å; L170-L354 HydrophobicContact CB-CD2 4.26Å; L170-L354 HydrophobicContact CD1-CG 4.08Å; R171-L354 WeakPolarHBondContact O-CD2 3.44Å; F175-L354 HydrophobicContact CD2-CD2 4.46Å; F175-L354 HydrophobicContact CE2-CB 3.83Å; F175-L354 HydrophobicContact CE2-CD1 4.44Å; F175-L354 HydrophobicContact CE2-CD2 4.04Å; F175-L354 HydrophobicContact CE2-CG 4.32Å; F175-L354 HydrophobicContact CZ-CB 3.87Å; I351-L354 WeakPolarHBondContact O-CB 3.37Å; I351-L354 PolarHBondContact O-N 3.23Å; S352-L354 VanDerWaalsContact C-N 3.27Å; S352-L354 PolarHBondContact O-N 3.36Å; L354-E357 PolarHBondContact O-N 3.48Å; L354-A358 WeakPolarHBondContact O-CB 3.26Å; L354-A358 PolarHBondContact O-N 3.35Å; L354-L371 HydrophobicContact CD1-CD1 4.19Å; L354-L371 HydrophobicContact CD1-CD2 4.04Å; L354-L371 HydrophobicContact CD1-CG 4.49Å
355	L	98.2	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-42	176.7	-64.6	178.2	0	0	0	111.7	L41 V45 V114 P116 L170 I351 S352 A358 I359	L41-L355 HydrophobicContact CD1-CD1 4.16Å; L41-L355 HydrophobicContact CD2-CD1 4.06Å; L41-L355 HydrophobicContact CG-CD1 4.39Å; V45-L355 HydrophobicContact CG2-CB 3.91Å; V45-L355 HydrophobicContact CG2-CD1 4.14Å; V114-L355 HydrophobicContact CG1-CD2 4.07Å; P116-L355 HydrophobicContact CB-CD1 4.39Å; P116-L355 HydrophobicContact CG-CD1 3.67Å; P116-L355 HydrophobicContact CG-CD2 4.37Å; L170-L355 HydrophobicContact CD1-CD2 3.98Å; I351-L355 HydrophobicContact CD1-CD1 3.52Å; I351-L355 HydrophobicContact CD1-CG 3.96Å; I351-L355 PolarHBondContact O-N 2.72Å; I351-L355 VanDerWaalsContact O-N 3.15Å; S352-L355 PolarHBondContact O-N 2.77Å; L355-A358 WeakPolarHBondContact O-CB 3.2Å; L355-A358 PolarHBondContact O-N 3.41Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.27Å; L355-I359 PolarHBondContact O-N 3.24Å
356	A	97.8	Very high	96.4	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.033	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-47.9	175.5	0	0	0	0	0	111.2	V45 H48 L49 S352 A358 I359 R360	V45-A356 HydrophobicContact CG1-CB 4.31Å; H48-A356 HydrophobicContact CB-CB 3.48Å; H48-A356 VanDerWaalsContact CB-CB 3.48Å; L49-A356 HydrophobicContact CD1-CB 4.43Å; L49-A356 HydrophobicContact CD2-CB 4.22Å; L49-A356 WeakPolarHBondContact CD2-O 3.07Å; L49-A356 HydrophobicContact CG-CB 3.88Å; S352-A356 VanDerWaalsContact O-CB 3.22Å; S352-A356 WeakPolarHBondContact O-CB 3.38Å; S352-A356 PolarHBondContact O-N 2.85Å; A356-A358 VanDerWaalsContact C-N 3.33Å; A356-A358 PolarHBondContact O-N 3.23Å; A356-I359 PolarHBondContact O-N 3.15Å; A356-R360 WeakPolarHBondContact O-CB 3.49Å; A356-R360 PolarHBondContact O-N 3.42Å
357	E	96.3	Very high	96	Very high	50 Å²	50	41.9 Å²	41.9	23%	0.234	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-38.1	178	-179.7	60.4	-170.8	0	0	112	P353 L354 R360 R361 L371	P353-E357 WeakPolarHBondContact O-CB 3.44Å; P353-E357 PolarHBondContact O-N 3.17Å; L354-E357 PolarHBondContact O-N 3.48Å; E357-R360 PolarHBondContact O-N 3.21Å; E357-R360 IonicContact OE1-CZ 2.67Å; E357-R360 IonicContact OE1-NE 3.97Å; E357-R360 IonicContact OE1-NH2 2.74Å; E357-R360 PolarHBondContact OE1-NH2 3.4Å; E357-R360 IonicContact OE2-CZ 3.49Å; E357-R360 IonicContact OE2-NE 3.45Å; E357-R360 PolarHBondContact OE2-NE 2.89Å; E357-R360 IonicContact OE2-NH2 3.89Å; E357-R360 PolarHBondContact OE2-NH2 2.89Å; E357-R361 WeakPolarHBondContact O-CB 3.13Å; E357-R361 VanDerWaalsContact O-CG 3.28Å; E357-R361 WeakPolarHBondContact O-CG 3.31Å; E357-R361 PolarHBondContact O-N 2.86Å; E357-R361 IonicContact OE1-CZ 3.71Å; E357-R361 VanDerWaalsContact OE1-CZ 3.26Å; E357-R361 IonicContact OE1-NE 3.93Å; E357-R361 PolarHBondContact OE1-NE 2.9Å; E357-R361 IonicContact OE1-NH2 3.66Å; E357-R361 PolarHBondContact OE1-NH2 3.45Å; E357-L371 HydrophobicContact CB-CD2 4.45Å; E357-L371 HydrophobicContact CG-CD2 3.76Å
358	A	97.4	Very high	95.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.9	-48.8	174.1	0	0	0	0	0	112.4	I150 L170 L354 L355 A356 R360 R361 I362 M368 L371	I150-A358 HydrophobicContact CD1-CB 4.36Å; I150-A358 HydrophobicContact CG2-CB 4.45Å; L170-A358 HydrophobicContact CD1-CB 3.62Å; L170-A358 HydrophobicContact CD2-CB 4.2Å; L354-A358 WeakPolarHBondContact O-CB 3.26Å; L354-A358 PolarHBondContact O-N 3.35Å; L355-A358 WeakPolarHBondContact O-CB 3.2Å; L355-A358 PolarHBondContact O-N 3.41Å; A356-A358 VanDerWaalsContact C-N 3.33Å; A356-A358 PolarHBondContact O-N 3.23Å; A358-R360 VanDerWaalsContact C-N 3.35Å; A358-R360 PolarHBondContact O-N 2.64Å; A358-R361 PolarHBondContact O-N 2.92Å; A358-I362 WeakPolarHBondContact O-CG1 3.5Å; A358-I362 PolarHBondContact O-N 3.39Å; A358-M368 HydrophobicContact CB-CE 3.58Å; A358-M368 HydrophobicContact CB-SD 4.49Å; A358-L371 HydrophobicContact CB-CD1 4.06Å
359	I	97.4	Very high	94.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-47.3	175.9	-69.7	168.9	0	0	0	110.4	M30 V45 L49 Y80 I82 V114 I150 L355 A356 R361 I362 Y363	M30-I359 HydrophobicContact CE-CG2 4.48Å; M30-I359 HydrophobicContact SD-CG2 3.49Å; M30-I359 WeakPolarHBondContact SD-CG2 3.37Å; V45-I359 HydrophobicContact CG1-CD1 3.73Å; L49-I359 HydrophobicContact CD1-CB 4.11Å; L49-I359 HydrophobicContact CD1-CD1 4.24Å; L49-I359 HydrophobicContact CD1-CG2 3.73Å; Y80-I359 HydrophobicContact CD1-CB 4.25Å; Y80-I359 HydrophobicContact CD1-CD1 4.43Å; Y80-I359 HydrophobicContact CD1-CG1 3.77Å; Y80-I359 HydrophobicContact CD1-CG2 3.83Å; Y80-I359 HydrophobicContact CD2-CG2 4.09Å; Y80-I359 HydrophobicContact CE1-CB 4.18Å; Y80-I359 HydrophobicContact CE1-CG1 4.11Å; Y80-I359 HydrophobicContact CE1-CG2 3.78Å; Y80-I359 HydrophobicContact CE2-CG2 4.06Å; Y80-I359 HydrophobicContact CG-CG1 4.41Å; Y80-I359 HydrophobicContact CG-CG2 3.98Å; Y80-I359 PolarHBondContact OH-O 3.47Å; I82-I359 HydrophobicContact CD1-CD1 4.46Å; V114-I359 HydrophobicContact CG2-CD1 4.12Å; V114-I359 HydrophobicContact CG2-CG1 4.15Å; I150-I359 HydrophobicContact CD1-CG1 4.2Å; L355-I359 VanDerWaalsContact O-CG1 3.3Å; L355-I359 WeakPolarHBondContact O-CG1 3.27Å; L355-I359 PolarHBondContact O-N 3.24Å; A356-I359 PolarHBondContact O-N 3.15Å; I359-R361 VanDerWaalsContact C-N 3.31Å; I359-R361 PolarHBondContact O-N 3.46Å; I359-I362 PolarHBondContact O-N 3.38Å; I359-Y363 VanDerWaalsContact O-CB 3.28Å; I359-Y363 WeakPolarHBondContact O-CB 3.29Å; I359-Y363 PolarHBondContact O-N 3.34Å
360	R	95.7	Very high	93.8	Very high	77 Å²	77	44.3 Å²	44.3	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-58.8	-42.5	179	-166.2	-164.5	67.7	67.4	7.1	111.4	L49 A356 E357 A358 N364 E366	L49-R360 HydrophobicContact CD2-CB 3.89Å; L49-R360 HydrophobicContact CD2-CG 4.45Å; A356-R360 WeakPolarHBondContact O-CB 3.49Å; A356-R360 PolarHBondContact O-N 3.42Å; E357-R360 PolarHBondContact O-N 3.21Å; E357-R360 IonicContact OE1-CZ 2.67Å; E357-R360 IonicContact OE1-NE 3.97Å; E357-R360 IonicContact OE1-NH2 2.74Å; E357-R360 PolarHBondContact OE1-NH2 3.4Å; E357-R360 IonicContact OE2-CZ 3.49Å; E357-R360 IonicContact OE2-NE 3.45Å; E357-R360 PolarHBondContact OE2-NE 2.89Å; E357-R360 IonicContact OE2-NH2 3.89Å; E357-R360 PolarHBondContact OE2-NH2 2.89Å; A358-R360 VanDerWaalsContact C-N 3.35Å; A358-R360 PolarHBondContact O-N 2.64Å; R360-N364 WeakPolarHBondContact O-CB 3.2Å; R360-N364 PolarHBondContact O-N 3.01Å; R360-N364 VanDerWaalsContact O-N 3.12Å; R360-N364 PolarHBondContact O-ND2 3.38Å; R360-E366 IonicContact CZ-OE1 3.67Å; R360-E366 IonicContact CZ-OE2 2.85Å; R360-E366 IonicContact NH1-OE1 2.99Å; R360-E366 PolarHBondContact NH1-OE1 3.1Å; R360-E366 IonicContact NH1-OE2 3.03Å; R360-E366 IonicContact NH2-OE1 2.87Å; R360-E366 IonicContact NH2-OE2 3.87Å; R360-E366 PolarHBondContact NH2-OE2 3.35Å
361	R	95	Very high	93	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.117	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-49.9	179.1	-77.7	-176.5	172	-64.5	-21.7	112.1	E357 A358 I359 Y363 N364 D365 E366 S367 M368	E357-R361 WeakPolarHBondContact O-CB 3.13Å; E357-R361 VanDerWaalsContact O-CG 3.28Å; E357-R361 WeakPolarHBondContact O-CG 3.31Å; E357-R361 PolarHBondContact O-N 2.86Å; E357-R361 IonicContact OE1-CZ 3.71Å; E357-R361 VanDerWaalsContact OE1-CZ 3.26Å; E357-R361 IonicContact OE1-NE 3.93Å; E357-R361 PolarHBondContact OE1-NE 2.9Å; E357-R361 IonicContact OE1-NH2 3.66Å; E357-R361 PolarHBondContact OE1-NH2 3.45Å; A358-R361 PolarHBondContact O-N 2.92Å; I359-R361 VanDerWaalsContact C-N 3.31Å; I359-R361 PolarHBondContact O-N 3.46Å; R361-Y363 VanDerWaalsContact C-N 3.28Å; R361-Y363 PolarHBondContact O-N 3.48Å; R361-N364 CarbonylContact O-C 3.56Å; R361-N364 PolarHBondContact O-N 3.01Å; R361-D365 PolarHBondContact O-N 3.47Å; R361-D365 VanDerWaalsContact O-N 3.09Å; R361-E366 HydrophobicContact CB-CB 4.1Å; R361-E366 HydrophobicContact CG-CB 4.12Å; R361-E366 IonicContact CZ-OE2 3.59Å; R361-E366 IonicContact NH1-OE2 3.23Å; R361-E366 PolarHBondContact NH1-OE2 2.73Å; R361-E366 IonicContact NH2-OE2 2.71Å; R361-E366 PolarHBondContact O-N 3.44Å; R361-S367 WeakPolarHBondContact CD-O 3.34Å; R361-S367 PolarHBondContact NH1-O 3.36Å; R361-M368 HydrophobicContact CB-SD 3.63Å; R361-M368 HydrophobicContact CG-SD 4.43Å
362	I	94.6	Very high	91.9	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.082	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-40.7	178.6	-65.4	169.3	0	0	0	110.8	Y80 I112 I150 D168 A358 I359 N364 D365 M368	Y80-I362 HydrophobicContact CE1-CG2 4.45Å; I112-I362 HydrophobicContact CD1-CG2 3.77Å; I150-I362 HydrophobicContact CD1-CD1 3.41Å; I150-I362 VanDerWaalsContact CD1-CD1 3.41Å; I150-I362 HydrophobicContact CG1-CD1 3.73Å; D168-I362 WeakPolarHBondContact OD2-CD1 3.49Å; A358-I362 WeakPolarHBondContact O-CG1 3.5Å; A358-I362 PolarHBondContact O-N 3.39Å; I359-I362 PolarHBondContact O-N 3.38Å; I362-N364 VanDerWaalsContact C-N 3.31Å; I362-N364 PolarHBondContact O-N 2.71Å; I362-D365 PolarHBondContact O-N 3.23Å; I362-M368 HydrophobicContact CG1-SD 4.12Å
363	Y	94.2	Very high	90.4	Very high	48 Å²	48	51 Å²	51	19%	0.188	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-35.2	178.3	-178.5	-103.4	0	0	0	113.1	K28 M30 D78 Y80 I359 R361 D365	K28-Y363 VanDerWaalsContact C-OH 3.3Å; K28-Y363 HydrophobicContact CB-CE2 4.45Å; K28-Y363 PolarHBondContact N-OH 3.09Å; K28-Y363 VanDerWaalsContact O-CE2 3.31Å; K28-Y363 WeakPolarHBondContact O-CE2 3.34Å; K28-Y363 PolarHBondContact O-OH 3.16Å; K28-Y363 VanDerWaalsContact O-OH 3.1Å; M30-Y363 HydrophobicContact CB-CD2 3.95Å; M30-Y363 HydrophobicContact CB-CE2 3.7Å; M30-Y363 HydrophobicContact CG-CD2 4.41Å; M30-Y363 HydrophobicContact SD-CD2 4.43Å; M30-Y363 HydrophobicContact SD-CG 4.44Å; D78-Y363 HydrophobicContact CB-CD2 4.35Å; Y80-Y363 HydrophobicContact CE2-CD2 4.43Å; Y80-Y363 WeakPolarHBondContact OH-CA 3.45Å; Y80-Y363 WeakPolarHBondContact OH-CB 3.38Å; Y80-Y363 PolarHBondContact OH-N 2.85Å; Y80-Y363 VanDerWaalsContact OH-N 3.17Å; I359-Y363 VanDerWaalsContact O-CB 3.28Å; I359-Y363 WeakPolarHBondContact O-CB 3.29Å; I359-Y363 PolarHBondContact O-N 3.34Å; R361-Y363 VanDerWaalsContact C-N 3.28Å; R361-Y363 PolarHBondContact O-N 3.48Å; Y363-D365 VanDerWaalsContact C-N 3.34Å
364	N	93	Very high	88.9	Confident	80 Å²	80	55.9 Å²	55.9	43%	0.428	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.4	179	-67.5	-60.4	0	0	0	113.3	R360 R361 I362 E366	R360-N364 WeakPolarHBondContact O-CB 3.2Å; R360-N364 PolarHBondContact O-N 3.01Å; R360-N364 VanDerWaalsContact O-N 3.12Å; R360-N364 PolarHBondContact O-ND2 3.38Å; R361-N364 CarbonylContact O-C 3.56Å; R361-N364 PolarHBondContact O-N 3.01Å; I362-N364 VanDerWaalsContact C-N 3.31Å; I362-N364 PolarHBondContact O-N 2.71Å; N364-E366 HydrophobicContact CB-CG 3.95Å; N364-E366 PolarHBondContact O-N 3.29Å
365	D	90.5	Very high	87.4	Confident	115 Å²	115	56.4 Å²	56.4	62%	0.615	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	34.6	-176.7	-58.4	-58.1	0	0	0	112.6	K110 R361 I362 Y363	K110-D365 IonicContact NZ-OD1 3.81Å; R361-D365 PolarHBondContact O-N 3.47Å; R361-D365 VanDerWaalsContact O-N 3.09Å; I362-D365 PolarHBondContact O-N 3.23Å; Y363-D365 VanDerWaalsContact C-N 3.34Å
366	E	92.4	Very high	85.8	Confident	70 Å²	70	58.3 Å²	58.3	33%	0.327	30%	0.295	S	S	.	.			trans	-88.8	154.4	178.1	-65.5	178.8	-158.9	0	0	112.1	R360 R361 N364 M368	R360-E366 IonicContact CZ-OE1 3.67Å; R360-E366 IonicContact CZ-OE2 2.85Å; R360-E366 IonicContact NH1-OE1 2.99Å; R360-E366 PolarHBondContact NH1-OE1 3.1Å; R360-E366 IonicContact NH1-OE2 3.03Å; R360-E366 IonicContact NH2-OE1 2.87Å; R360-E366 IonicContact NH2-OE2 3.87Å; R360-E366 PolarHBondContact NH2-OE2 3.35Å; R361-E366 HydrophobicContact CB-CB 4.1Å; R361-E366 HydrophobicContact CG-CB 4.12Å; R361-E366 IonicContact CZ-OE2 3.59Å; R361-E366 IonicContact NH1-OE2 3.23Å; R361-E366 PolarHBondContact NH1-OE2 2.73Å; R361-E366 IonicContact NH2-OE2 2.71Å; R361-E366 PolarHBondContact O-N 3.44Å; N364-E366 HydrophobicContact CB-CG 3.95Å; N364-E366 PolarHBondContact O-N 3.29Å; E366-M368 PolarHBondContact O-N 2.81Å
367	S	89.8	Confident	84.2	Confident	71 Å²	71	67.3 Å²	67.3	50%	0.497	33%	0.334	S	S	.	.			trans	-64.3	135.5	174.4	-177.5	0	0	0	0	112.2	R361 S369	R361-S367 WeakPolarHBondContact CD-O 3.34Å; R361-S367 PolarHBondContact NH1-O 3.36Å; S367-S369 VanDerWaalsContact C-N 3.33Å; S367-S369 WeakPolarHBondContact OG-CB 3.35Å; S367-S369 PolarHBondContact OG-N 3.49Å; S367-S369 VanDerWaalsContact OG-N 3.1Å; S367-S369 PolarHBondContact OG-OG 2.73Å
368	M	88.3	Confident	82.7	Confident	18 Å²	18	69.4 Å²	69.4	9%	0.089	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-79.3	-14.2	171	-67.7	-63.6	-78.7	0	0	113.2	D168 L170 A358 R361 I362 E366 Y370 L371 F372	D168-M368 HydrophobicContact CB-CE 4.04Å; L170-M368 HydrophobicContact CD2-CE 3.54Å; A358-M368 HydrophobicContact CB-CE 3.58Å; A358-M368 HydrophobicContact CB-SD 4.49Å; R361-M368 HydrophobicContact CB-SD 3.63Å; R361-M368 HydrophobicContact CG-SD 4.43Å; I362-M368 HydrophobicContact CG1-SD 4.12Å; E366-M368 PolarHBondContact O-N 2.81Å; M368-Y370 PolarHBondContact O-N 3.1Å; M368-L371 HydrophobicContact CE-CD1 3.67Å; M368-L371 WeakPolarHBondContact O-CB 3.44Å; M368-L371 PolarHBondContact O-N 3.09Å; M368-L371 HydrophobicContact SD-CD1 4.12Å; M368-F372 HydrophobicContact CB-CE2 4.05Å; M368-F372 VanDerWaalsContact O-CD2 3.23Å; M368-F372 WeakPolarHBondContact O-CD2 3.43Å
369	S	83.4	Confident	80.8	Confident	72 Å²	72	69.5 Å²	69.5	50%	0.503	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-54.5	-28.3	-176.7	63.4	0	0	0	0	114.1	S367 L371 F372 M373	S367-S369 VanDerWaalsContact C-N 3.33Å; S367-S369 WeakPolarHBondContact OG-CB 3.35Å; S367-S369 PolarHBondContact OG-N 3.49Å; S367-S369 VanDerWaalsContact OG-N 3.1Å; S367-S369 PolarHBondContact OG-OG 2.73Å; S369-L371 VanDerWaalsContact C-N 3.25Å; S369-L371 PolarHBondContact O-N 3.38Å; S369-F372 PolarHBondContact O-N 3.39Å; S369-F372 VanDerWaalsContact O-N 3.07Å; S369-M373 PolarHBondContact O-N 2.91Å
370	Y	77.2	Confident	80	Confident	150 Å²	150	73 Å²	73	59%	0.588	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-61.8	-33.8	177.5	-167.1	-92.5	0	0	0	112.6	M368 F372 M373	M368-Y370 PolarHBondContact O-N 3.1Å; Y370-F372 PolarHBondContact O-N 2.89Å; Y370-M373 HydrophobicContact CD2-CE 3.58Å; Y370-M373 HydrophobicContact CE2-CE 4.03Å; Y370-M373 HydrophobicContact CG-CE 4.5Å; Y370-M373 WeakPolarHBondContact O-CG 3.08Å; Y370-M373 PolarHBondContact O-N 3.31Å
371	L	80.5	Confident	79.1	Confident	31 Å²	31	72.8 Å²	72.8	16%	0.162	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-73	-15.9	177.7	-60.9	-178	0	0	0	112.9	L170 L354 E357 A358 M368 S369	L170-L371 HydrophobicContact CD2-CD1 4Å; L354-L371 HydrophobicContact CD1-CD1 4.19Å; L354-L371 HydrophobicContact CD1-CD2 4.04Å; L354-L371 HydrophobicContact CD1-CG 4.49Å; E357-L371 HydrophobicContact CB-CD2 4.45Å; E357-L371 HydrophobicContact CG-CD2 3.76Å; A358-L371 HydrophobicContact CB-CD1 4.06Å; M368-L371 HydrophobicContact CE-CD1 3.67Å; M368-L371 WeakPolarHBondContact O-CB 3.44Å; M368-L371 PolarHBondContact O-N 3.09Å; M368-L371 HydrophobicContact SD-CD1 4.12Å; S369-L371 VanDerWaalsContact C-N 3.25Å; S369-L371 PolarHBondContact O-N 3.38Å
372	F	75.4	Confident	78.3	Confident	65 Å²	65	75.1 Å²	75.1	29%	0.285	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-104.4	2	179.7	-57.9	-71.5	0	0	0	112.9	N169 L170 R171 M368 S369 Y370 N374 V375	N169-F372 WeakPolarHBondContact O-CE1 3.47Å; L170-F372 HydrophobicContact CD2-CZ 4.07Å; R171-F372 HydrophobicContact CG-CD1 4.2Å; R171-F372 HydrophobicContact CG-CE1 4.18Å; M368-F372 HydrophobicContact CB-CE2 4.05Å; M368-F372 VanDerWaalsContact O-CD2 3.23Å; M368-F372 WeakPolarHBondContact O-CD2 3.43Å; S369-F372 PolarHBondContact O-N 3.39Å; S369-F372 VanDerWaalsContact O-N 3.07Å; Y370-F372 PolarHBondContact O-N 2.89Å; F372-N374 PolarHBondContact O-N 2.84Å; F372-V375 PolarHBondContact O-N 2.9Å; F372-V375 VanDerWaalsContact O-N 3.13Å
373	M	67.3	Low	77.3	Confident	114 Å²	114	78.6 Å²	78.6	56%	0.562	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	128.7	175.8	-66.4	-116	-150.6	0	0	109.6	S369 Y370 V375	S369-M373 PolarHBondContact O-N 2.91Å; Y370-M373 HydrophobicContact CD2-CE 3.58Å; Y370-M373 HydrophobicContact CE2-CE 4.03Å; Y370-M373 HydrophobicContact CG-CE 4.5Å; Y370-M373 WeakPolarHBondContact O-CG 3.08Å; Y370-M373 PolarHBondContact O-N 3.31Å; M373-V375 PolarHBondContact O-N 2.77Å
374	N	64.5	Low	76.2	Confident	149 Å²	149	80.5 Å²	80.5	80%	0.797	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	18.8	-178.4	-47.5	-44.8	0	0	0	115.4	F372	F372-N374 PolarHBondContact O-N 2.84Å
375	V	66.4	Low	75.1	Confident	23 Å²	23	80.5 Å²	80.5	14%	0.139	41%	0.412	C	S	.	.			trans	-101.6	113.2	171	179.1	0	0	0	0	109	R171 P174 F372 M373 D379	R171-V375 HydrophobicContact CB-CG1 3.96Å; R171-V375 HydrophobicContact CB-CG2 4.41Å; R171-V375 HydrophobicContact CG-CG1 3.62Å; P174-V375 HydrophobicContact CG-CG2 3.89Å; F372-V375 PolarHBondContact O-N 2.9Å; F372-V375 VanDerWaalsContact O-N 3.13Å; M373-V375 PolarHBondContact O-N 2.77Å; V375-D379 HydrophobicContact CG1-CB 3.9Å; V375-D379 WeakPolarHBondContact CG1-OD2 3.46Å
376	P	65	Low	74	Confident	41 Å²	41	78.1 Å²	78.1	27%	0.266	40%	0.398	S	S	.	.			trans	-59.4	153.7	175.7	-25.4	37.1	0	0	0	111.9	S205 R209 D378 D379	S205-P376 WeakPolarHBondContact OG-CB 3.16Å; S205-P376 VanDerWaalsContact OG-CG 3.24Å; S205-P376 WeakPolarHBondContact OG-CG 3.46Å; R209-P376 HydrophobicContact CG-CG 4.43Å; P376-D378 PolarHBondContact O-N 3.45Å; P376-D378 VanDerWaalsContact O-N 3.1Å; P376-D379 PolarHBondContact O-N 3.22Å
377	K	64.4	Low	72.6	Confident	192 Å²	192	78.7 Å²	78.7	84%	0.835	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.4	179.3	-71.3	-174.1	-177.9	177.9	0	113.1	K157	K157-K377 WeakPolarHBondContact CE-O 3.22Å; K157-K377 PolarHBondContact NZ-O 3.2Å
378	D	63.3	Low	71.2	Confident	95 Å²	95	79.3 Å²	79.3	51%	0.508	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.7	-172.5	-67.9	-39.9	0	0	0	115.2	K157 P201 P376	K157-D378 PolarHBondContact NZ-O 3.32Å; P201-D378 HydrophobicContact CB-CB 4.17Å; P376-D378 PolarHBondContact O-N 3.45Å; P376-D378 VanDerWaalsContact O-N 3.1Å
379	D	58.2	Low	69.6	Low	2 Å²	2	84.9 Å²	84.9	1%	0.011	42%	0.423	C	S	.	.			trans	-55.7	0	172.5	-87.5	-9.1	0	0	0	114.4	K157 R171 S173 R202 S205 R209 V375 P376	K157-D379 WeakPolarHBondContact CE-O 3.43Å; K157-D379 PolarHBondContact NZ-O 3.06Å; R171-D379 PolarHBondContact NH1-O 2.48Å; S173-D379 VanDerWaalsContact CB-OD2 3.23Å; S173-D379 WeakPolarHBondContact CB-OD2 3.32Å; S173-D379 PolarHBondContact OG-OD2 3.05Å; R202-D379 WeakPolarHBondContact CG-OXT 3.25Å; R202-D379 PolarHBondContact NE-OXT 3.01Å; S205-D379 WeakPolarHBondContact CB-OD1 3.41Å; S205-D379 PolarHBondContact OG-OD1 3.27Å; R209-D379 IonicContact NH1-OD2 3.05Å; R209-D379 PolarHBondContact NH1-OD2 2.85Å; V375-D379 HydrophobicContact CG1-CB 3.9Å; V375-D379 WeakPolarHBondContact CG1-OD2 3.46Å; P376-D379 PolarHBondContact O-N 3.22Å

Retrieved 379 of 379 residues in 78 ms (Link to these results)

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