A0A077YWK3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 505 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	32.9	Very low	33.4	Very low	242 Å²	242	152.8 Å²	152.8	100%	1.192	86%	0.855	S	S	*	*				0	104.7	0	-80.2	173.1	83.4	0	0	109.8
2	K	34.1	Very low	33.2	Very low	208 Å²	208	158.9 Å²	158.9	90%	0.904	86%	0.855	S	S	*	*			trans	-167.2	105.4	132.9	-103.6	176.6	-175.6	-175.8	0	106.3
3	L	35.1	Very low	33.3	Very low	167 Å²	167	158.1 Å²	158.1	87%	0.874	85%	0.847	S	S	*	*			trans	0.3	110.5	173.5	-85.6	67.4	0	0	0	117
4	T	33	Very low	33.3	Very low	119 Å²	119	160.8 Å²	160.8	73%	0.73	85%	0.852	S	S	*	*				-12.4	129.7	129.8	7.9	0	0	0	0	115.4
5	L	30.9	Very low	33.5	Very low	158 Å²	158	155.6 Å²	155.6	83%	0.827	84%	0.841	S	S	*	*				69.5	75.5	123.9	-134.8	93.7	0	0	0	117.3
6	L	30.8	Very low	33.3	Very low	169 Å²	169	157.4 Å²	157.4	89%	0.885	85%	0.846	S	S	*	*	S	Bend	trans	-170.7	82.1	153.6	-99.1	139.4	0	0	0	105.2
7	C	31.6	Very low	32.9	Very low	109 Å²	109	151.9 Å²	151.9	74%	0.736	84%	0.835	S	S	*	*	S	Bend		-174.1	35.4	100.3	-82.5	0	0	0	0	111.5	T9	C7-T9 VanDerWaalsContact C-N 3.29Å; C7-T9 PolarHBondContact O-N 3.3Å
8	L	34.8	Very low	32.8	Very low	179 Å²	179	149.2 Å²	149.2	94%	0.937	84%	0.835	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	35.6	176.6	-85	172.7	0	0	0	113.7
9	T	37.3	Very low	32.7	Very low	133 Å²	133	151.3 Å²	151.3	82%	0.816	84%	0.838	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	19.7	175.3	51.7	0	0	0	0	114.9	C7	C7-T9 VanDerWaalsContact C-N 3.29Å; C7-T9 PolarHBondContact O-N 3.3Å
10	V	34	Very low	32.5	Very low	125 Å²	125	147.5 Å²	147.5	76%	0.758	84%	0.835	S	S	*	*	S	Bend	trans	-106.6	2.5	172.2	-172.5	0	0	0	0	112.8
11	G	32.4	Very low	32.5	Very low	72 Å²	72	148.6 Å²	148.6	74%	0.742	83%	0.833	S	S	*	*	S	Bend	trans	-93.3	14	-178.9	0	0	0	0	0	116.9
12	W	31.1	Very low	32.5	Very low	226 Å²	226	144.7 Å²	144.7	86%	0.856	82%	0.817	S	S	*	*	S	Bend	trans	-124.1	13.7	-174	-93.4	70.9	0	0	0	115.6
13	I	34.2	Very low	32.4	Very low	148 Å²	148	139.4 Å²	139.4	76%	0.759	80%	0.802	S	S	*	*	S	Bend	trans	-92.9	-8.8	177.2	-66.9	-179.8	0	0	0	113.7	A15	I13-A15 PolarHBondContact O-N 3.36Å
14	E	34.1	Very low	32.3	Very low	196 Å²	196	136.1 Å²	136.1	92%	0.916	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	7.9	175.5	-75	-169.5	155.6	0	0	115.6
15	A	35.3	Very low	32.4	Very low	83 Å²	83	137.1 Å²	137.1	69%	0.686	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-1.5	170	0	0	0	0	0	113.9	I13	I13-A15 PolarHBondContact O-N 3.36Å
16	M	30.7	Very low	32.5	Very low	185 Å²	185	138.3 Å²	138.3	91%	0.911	79%	0.788	S	S	*	*			trans	-108.2	56.3	173.3	-64.4	-159.1	-171.4	0	0	111.2
17	G	27.4	Very low	32.5	Very low	64 Å²	64	134.1 Å²	134.1	66%	0.66	77%	0.77	S	S	*	*			trans	-121.9	72	174.1	0	0	0	0	0	111	Q19	G17-Q19 PolarHBondContact O-N 2.96Å
18	A	30.3	Very low	32.2	Very low	102 Å²	102	138.6 Å²	138.6	84%	0.843	77%	0.771	S	S	*	*			trans	34.6	79.2	146.4	0	0	0	0	0	117.9
19	Q	30.5	Very low	32	Very low	189 Å²	189	134.5 Å²	134.5	88%	0.883	75%	0.754	S	S	*	*			trans	-93	100.1	140.1	-87	-174.9	-11.1	0	0	107.3	G17 Q21	G17-Q19 PolarHBondContact O-N 2.96Å; Q19-Q21 VanDerWaalsContact C-N 3.3Å; Q19-Q21 PolarHBondContact O-N 3.13Å
20	G	28.6	Very low	31.5	Very low	76 Å²	76	131.4 Å²	131.4	78%	0.784	74%	0.742	S	S	*	*			trans	-55.4	92.4	172.9	0	0	0	0	0	110.2	N22	G20-N22 PolarHBondContact O-N 2.68Å
21	Q	32.3	Very low	31	Very low	171 Å²	171	136.2 Å²	136.2	80%	0.799	75%	0.746	S	S	*	*			trans	-68.9	117.6	162.2	-74.7	-174.4	-15.4	0	0	106.4	Q19 V23	Q19-Q21 VanDerWaalsContact C-N 3.3Å; Q19-Q21 PolarHBondContact O-N 3.13Å; Q21-V23 HydrophobicContact CB-CG2 4.5Å; Q21-V23 PolarHBondContact O-N 3.33Å
22	N	33	Very low	30.6	Very low	160 Å²	160	140 Å²	140	86%	0.856	75%	0.745	S	S	*	*			trans	-54.4	73.7	165.7	-93.9	-38.8	0	0	0	109.8	G20 T24	G20-N22 PolarHBondContact O-N 2.68Å; N22-T24 PolarHBondContact O-N 2.75Å
23	V	31.8	Very low	30.4	Very low	96 Å²	96	134.1 Å²	134.1	58%	0.582	73%	0.728	S	S	*	*			trans	-72.8	88	166.8	-174.5	0	0	0	0	105.1	Q21 N25	Q21-V23 HydrophobicContact CB-CG2 4.5Å; Q21-V23 PolarHBondContact O-N 3.33Å; V23-N25 PolarHBondContact O-N 2.77Å
24	T	33.6	Very low	29.9	Very low	98 Å²	98	134.3 Å²	134.3	60%	0.601	73%	0.731	S	S	*	*			trans	-39.1	126.7	173.6	48.1	0	0	0	0	110.1	N22 K26 T27	N22-T24 PolarHBondContact O-N 2.75Å; T24-K26 PolarHBondContact O-N 2.83Å; T24-T27 PolarHBondContact O-N 2.82Å; T24-T27 VanDerWaalsContact O-N 3.12Å
25	N	35.7	Very low	29.5	Very low	140 Å²	140	131.4 Å²	131.4	75%	0.749	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.7	-23.3	-174.7	-90.6	-21.8	0	0	0	116.1	V23 T27 T29	V23-N25 PolarHBondContact O-N 2.77Å; N25-T27 PolarHBondContact O-N 3.33Å; N25-T29 PolarHBondContact O-N 3.48Å; N25-T29 PolarHBondContact O-OG1 3.42Å
26	K	33.3	Very low	29	Very low	184 Å²	184	133.8 Å²	133.8	80%	0.8	72%	0.722	S	S	*	*	H	α-helix	trans	-60.6	-37.2	177.5	-91.9	-175.7	169.9	-178	0	114.7	T24 A30	T24-K26 PolarHBondContact O-N 2.83Å; K26-A30 PolarHBondContact O-N 3.28Å
27	T	29.7	Very low	28.9	Very low	81 Å²	81	131.3 Å²	131.3	50%	0.497	71%	0.706	S	S	.	*	H	α-helix	trans	-82.9	-23.2	-172.9	-23.4	0	0	0	0	112.6	T24 N25	T24-T27 PolarHBondContact O-N 2.82Å; T24-T27 VanDerWaalsContact O-N 3.12Å; N25-T27 PolarHBondContact O-N 3.33Å
28	R	25.5	Very low	28.9	Very low	203 Å²	203	132 Å²	132	77%	0.766	70%	0.701	S	S	*	*	H	α-helix	trans	-77.6	-29.9	175.4	-157.4	174.1	-175.3	172.5	0.2	111.9
29	T	31.6	Very low	28.7	Very low	92 Å²	92	132.6 Å²	132.6	56%	0.564	69%	0.686	S	S	*	*	H	α-helix	trans	-74	-29.8	174.7	-39.4	0	0	0	0	112.6	N25 R31	N25-T29 PolarHBondContact O-N 3.48Å; N25-T29 PolarHBondContact O-OG1 3.42Å; T29-R31 PolarHBondContact O-N 3.24Å
30	A	27	Very low	28.6	Very low	68 Å²	68	127.7 Å²	127.7	56%	0.562	66%	0.66	S	S	*	*	H	α-helix	trans	-74.2	-23.9	-177.5	0	0	0	0	0	114.3	K26	K26-A30 PolarHBondContact O-N 3.28Å
31	R	23.2	Very low	28.6	Very low	226 Å²	226	127.7 Å²	127.7	85%	0.853	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-2.2	-177.1	-90.8	-173.1	177.9	176.5	-0.2	115.5	T29	T29-R31 PolarHBondContact O-N 3.24Å
32	H	24.1	Very low	29	Very low	153 Å²	153	121 Å²	121	71%	0.708	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	3.2	179	-94.3	-67.2	0	0	0	114.7
33	I	25.6	Very low	29.8	Very low	101 Å²	101	116.8 Å²	116.8	52%	0.518	61%	0.611	S	S	.	*	S	Bend	trans	-111.2	32.1	-175.7	-44.5	175.9	0	0	0	111.3	F37	I33-F37 HydrophobicContact CG2-CE2 3.8Å; I33-F37 HydrophobicContact CG2-CZ 3.86Å
34	D	25.4	Very low	30.8	Very low	152 Å²	152	114.5 Å²	114.5	81%	0.813	60%	0.596	S	S	*	*			trans	-115	16	175.9	-109.1	-11.6	0	0	0	113.1	D36	D34-D36 PolarHBondContact O-N 3.5Å
35	I	24.3	Very low	31.7	Very low	135 Å²	135	110.7 Å²	110.7	69%	0.692	57%	0.573	S	S	*	*	S	Bend	trans	-96.2	91.6	174.7	-53.5	178.8	0	0	0	109
36	D	25.3	Very low	33	Very low	133 Å²	133	104.1 Å²	104.1	71%	0.711	54%	0.538	S	S	*	.			trans	44.6	72.6	144.4	-80.1	-40.5	0	0	0	118.8	D34 S38	D34-D36 PolarHBondContact O-N 3.5Å; D36-S38 PolarHBondContact O-N 2.93Å
37	F	28.4	Very low	34.7	Very low	133 Å²	133	97.8 Å²	97.8	58%	0.583	52%	0.517	S	S	*	.			trans	-69.8	20.6	170.7	-72	-83.1	0	0	0	115.5	I33 H39	I33-F37 HydrophobicContact CG2-CE2 3.8Å; I33-F37 HydrophobicContact CG2-CZ 3.86Å; F37-H39 VanDerWaalsContact C-N 3.33Å; F37-H39 PolarHBondContact O-N 3.23Å
38	S	28	Very low	37	Very low	79 Å²	79	95.1 Å²	95.1	55%	0.552	50%	0.501	S	S	*	.			trans	-82.2	-0	-173	74.6	0	0	0	0	115.3	D36	D36-S38 PolarHBondContact O-N 2.93Å
39	H	25.5	Very low	39.7	Very low	114 Å²	114	85.4 Å²	85.4	53%	0.528	47%	0.465	S	S	.	.	S	Bend	trans	-113	-8.2	-169.3	-67.7	-8.6	0	0	0	116.4	F37 A41 R277	F37-H39 VanDerWaalsContact C-N 3.33Å; F37-H39 PolarHBondContact O-N 3.23Å; H39-A41 PolarHBondContact O-N 3.45Å; H39-R277 PolarHBondContact CD2-NH2 3.39Å
40	Y	28.1	Very low	42.2	Very low	86 Å²	86	81.1 Å²	81.1	34%	0.337	44%	0.439	S	S	.	.			trans	-86.3	4.7	174.6	-85.2	-80.1	0	0	0	115.3	G42 S45 P234 P273 E275	Y40-G42 PolarHBondContact O-N 3.1Å; Y40-S45 PolarHBondContact O-OG 3.46Å; Y40-P234 HydrophobicContact CD1-CG 4.34Å; Y40-P273 PolarHBondContact OH-O 2.71Å; Y40-E275 HydrophobicContact CD1-CG 4.13Å; Y40-E275 WeakPolarHBondContact CD2-OE1 2.91Å; Y40-E275 HydrophobicContact CE1-CG 3.49Å; Y40-E275 VanDerWaalsContact CE1-CG 3.49Å; Y40-E275 HydrophobicContact CE2-CG 4.01Å; Y40-E275 WeakPolarHBondContact CE2-OE1 3.47Å; Y40-E275 WeakPolarHBondContact OH-CG 3.23Å
41	A	29.5	Very low	44.5	Very low	76 Å²	76	80.4 Å²	80.4	63%	0.628	42%	0.424	S	S	*	.			trans	-82.1	66.3	175.3	0	0	0	0	0	110.9	H39	H39-A41 PolarHBondContact O-N 3.45Å
42	G	41.2	Very low	47	Very low	31 Å²	31	69.7 Å²	69.7	32%	0.32	38%	0.383	S	S	.	.			trans	-79.2	167.2	167.3	0	0	0	0	0	111.3	Y40 D44 S45	Y40-G42 PolarHBondContact O-N 3.1Å; G42-D44 PolarHBondContact O-N 2.92Å; G42-D44 VanDerWaalsContact O-N 3.09Å; G42-S45 PolarHBondContact N-OG 3Å; G42-S45 PolarHBondContact O-N 3.46Å
43	P	49.4	Very low	49.7	Very low	72 Å²	72	62.4 Å²	62.4	47%	0.468	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.4	179	26.8	-34.1	0	0	0	114.4	F56 I278	P43-F56 VanDerWaalsContact O-CD1 3.23Å; P43-F56 WeakPolarHBondContact O-CD1 3.38Å; P43-I278 HydrophobicContact CG-CD1 4.41Å
44	D	51.8	Low	52	Low	48 Å²	48	58.9 Å²	58.9	26%	0.257	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	6.8	-175.4	-66.4	-62	0	0	0	114.2	G42 F56 R238	G42-D44 PolarHBondContact O-N 2.92Å; G42-D44 VanDerWaalsContact O-N 3.09Å; D44-F56 VanDerWaalsContact C-CZ 3.47Å; D44-F56 WeakPolarHBondContact O-CE1 3.23Å; D44-F56 VanDerWaalsContact O-CZ 3.26Å; D44-F56 WeakPolarHBondContact O-CZ 3.35Å; D44-R238 HydrophobicContact CB-CB 4.25Å; D44-R238 PolarHBondContact O-N 3.29Å; D44-R238 IonicContact OD1-NH1 3.54Å; D44-R238 PolarHBondContact OD1-NH1 3.08Å; D44-R238 VanDerWaalsContact OD1-NH1 3.12Å
45	S	53.7	Low	53.8	Low	18 Å²	18	53.7 Å²	53.7	13%	0.126	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.2	175.5	49	0	0	0	0	111.6	Y40 G42 F56	Y40-S45 PolarHBondContact O-OG 3.46Å; G42-S45 PolarHBondContact N-OG 3Å; G42-S45 PolarHBondContact O-N 3.46Å; S45-F56 VanDerWaalsContact N-CE1 3.29Å
46	A	62.9	Low	55.7	Low	1 Å²	1	47.3 Å²	47.3	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	150	-179.8	0	0	0	0	0	111.2	E51 A52 F56 P234 I236	A46-E51 HydrophobicContact CB-CB 4.06Å; A46-E51 HydrophobicContact CB-CG 3.91Å; A46-A52 HydrophobicContact CB-CB 3.64Å; A46-F56 HydrophobicContact CB-CE1 3.97Å; A46-F56 HydrophobicContact CB-CZ 3.83Å; A46-P234 WeakPolarHBondContact O-CB 3.45Å; A46-I236 PolarHBondContact N-O 3.13Å; A46-I236 PolarHBondContact O-N 2.67Å
47	S	69.2	Low	57.4	Low	51 Å²	51	43.6 Å²	43.6	36%	0.357	25%	0.251	S	S	.	.	S	Bend	trans	-91.4	-11.4	174.9	-63.3	0	0	0	0	113	E51 N235	S47-E51 PolarHBondContact N-OE2 3.43Å; S47-N235 PolarHBondContact O-OD1 3.18Å
48	S	77.5	Confident	58.6	Low	25 Å²	25	37.9 Å²	37.9	18%	0.175	23%	0.227	C	C	.	.	S	Bend	trans	-144.9	157.4	-178.9	80.3	0	0	0	0	110.9	S50 E51 A52 E112	S48-S50 VanDerWaalsContact C-N 3.31Å; S48-S50 PolarHBondContact OG-OG 3.37Å; S48-E51 PolarHBondContact O-N 3.01Å; S48-E51 VanDerWaalsContact OG-CB 3.26Å; S48-E51 WeakPolarHBondContact OG-CB 3.46Å; S48-E51 PolarHBondContact OG-N 3.46Å; S48-A52 WeakPolarHBondContact O-CB 3.42Å; S48-A52 PolarHBondContact O-N 3.13Å; S48-E112 WeakPolarHBondContact CA-OE2 3.4Å; S48-E112 VanDerWaalsContact CB-OE1 3.26Å; S48-E112 WeakPolarHBondContact CB-OE1 3Å; S48-E112 WeakPolarHBondContact CB-OE2 3.42Å; S48-E112 PolarHBondContact OG-OE1 2.89Å
49	L	82.8	Confident	59.6	Low	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-39.5	174.9	-73.8	171.9	0	0	0	111.7	E51 A52 F53 L97 V100 I109 E112 A113 L116 I236	L49-E51 VanDerWaalsContact C-N 3.34Å; L49-A52 WeakPolarHBondContact O-CB 3.02Å; L49-A52 PolarHBondContact O-N 3.44Å; L49-F53 HydrophobicContact CB-CE2 4.26Å; L49-F53 HydrophobicContact CB-CZ 4.2Å; L49-F53 HydrophobicContact CD2-CE1 4.26Å; L49-F53 HydrophobicContact CD2-CZ 4.08Å; L49-F53 WeakPolarHBondContact O-CB 3.32Å; L49-F53 WeakPolarHBondContact O-CD1 3.41Å; L49-F53 WeakPolarHBondContact O-CD2 3.15Å; L49-F53 WeakPolarHBondContact O-CG 3.48Å; L49-F53 PolarHBondContact O-N 3.2Å; L49-L97 HydrophobicContact CD1-CD2 4.43Å; L49-V100 HydrophobicContact CD1-CG1 3.96Å; L49-V100 HydrophobicContact CD2-CG1 3.91Å; L49-V100 HydrophobicContact CD2-CG2 4.27Å; L49-I109 HydrophobicContact CD1-CG2 3.7Å; L49-I109 HydrophobicContact CD2-CG2 4.18Å; L49-I109 HydrophobicContact CG-CG2 3.96Å; L49-E112 HydrophobicContact CB-CG 4.39Å; L49-E112 HydrophobicContact CD1-CB 4.47Å; L49-E112 VanDerWaalsContact N-CD 3.25Å; L49-E112 PolarHBondContact N-OE1 2.76Å; L49-E112 VanDerWaalsContact N-OE1 3.11Å; L49-E112 PolarHBondContact N-OE2 3.16Å; L49-A113 HydrophobicContact CD1-CB 3.64Å; L49-L116 HydrophobicContact CB-CD1 3.78Å; L49-I236 HydrophobicContact CD2-CD1 3.86Å; L49-I236 HydrophobicContact CG-CD1 4.08Å
50	S	83.8	Confident	60.7	Low	2 Å²	2	30.7 Å²	30.7	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-42.1	177.4	45	0	0	0	0	112.2	S48 S54 F69 P80 E112	S48-S50 VanDerWaalsContact C-N 3.31Å; S48-S50 PolarHBondContact OG-OG 3.37Å; S50-S54 PolarHBondContact O-N 2.96Å; S50-F69 WeakPolarHBondContact O-CE1 3.26Å; S50-P80 WeakPolarHBondContact OG-CB 3.06Å; S50-E112 WeakPolarHBondContact CB-OE1 3.28Å; S50-E112 PolarHBondContact N-OE1 2.92Å; S50-E112 PolarHBondContact OG-OE1 3.26Å
51	E	74.7	Confident	61.6	Low	53 Å²	53	30.9 Å²	30.9	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-50.9	172.2	-178.5	179.5	-156.3	0	0	110.5	A46 S47 S48 L49 F53 S54 T55	A46-E51 HydrophobicContact CB-CB 4.06Å; A46-E51 HydrophobicContact CB-CG 3.91Å; S47-E51 PolarHBondContact N-OE2 3.43Å; S48-E51 PolarHBondContact O-N 3.01Å; S48-E51 VanDerWaalsContact OG-CB 3.26Å; S48-E51 WeakPolarHBondContact OG-CB 3.46Å; S48-E51 PolarHBondContact OG-N 3.46Å; L49-E51 VanDerWaalsContact C-N 3.34Å; E51-F53 VanDerWaalsContact C-N 3.29Å; E51-F53 PolarHBondContact O-N 3.3Å; E51-S54 WeakPolarHBondContact O-CB 3.44Å; E51-S54 PolarHBondContact O-N 3.11Å; E51-T55 HydrophobicContact CG-CG2 4.09Å; E51-T55 WeakPolarHBondContact O-CG2 3.34Å; E51-T55 PolarHBondContact O-N 2.88Å; E51-T55 PolarHBondContact O-OG1 2.85Å
52	A	75.1	Confident	62.6	Low	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-53.5	-44.1	-180	0	0	0	0	0	112.5	A46 S48 L49 S54 F56 I236	A46-A52 HydrophobicContact CB-CB 3.64Å; S48-A52 WeakPolarHBondContact O-CB 3.42Å; S48-A52 PolarHBondContact O-N 3.13Å; L49-A52 WeakPolarHBondContact O-CB 3.02Å; L49-A52 PolarHBondContact O-N 3.44Å; A52-S54 VanDerWaalsContact C-N 3.3Å; A52-S54 PolarHBondContact O-N 3.4Å; A52-F56 HydrophobicContact CB-CD2 3.96Å; A52-F56 HydrophobicContact CB-CE1 4.38Å; A52-F56 HydrophobicContact CB-CE2 3.71Å; A52-F56 HydrophobicContact CB-CG 4.43Å; A52-F56 HydrophobicContact CB-CZ 3.94Å; A52-F56 WeakPolarHBondContact O-CB 3.48Å; A52-F56 WeakPolarHBondContact O-CG 3.25Å; A52-F56 PolarHBondContact O-N 3.49Å; A52-I236 HydrophobicContact CB-CG2 4.39Å
53	F	81.2	Confident	63.4	Low	0 Å²	0	28 Å²	28	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.6	-29.7	-179.5	-64.9	-13.4	0	0	0	113.3	L49 E51 L65 I66 F69 V96 L97 L116	L49-F53 HydrophobicContact CB-CE2 4.26Å; L49-F53 HydrophobicContact CB-CZ 4.2Å; L49-F53 HydrophobicContact CD2-CE1 4.26Å; L49-F53 HydrophobicContact CD2-CZ 4.08Å; L49-F53 WeakPolarHBondContact O-CB 3.32Å; L49-F53 WeakPolarHBondContact O-CD1 3.41Å; L49-F53 WeakPolarHBondContact O-CD2 3.15Å; L49-F53 WeakPolarHBondContact O-CG 3.48Å; L49-F53 PolarHBondContact O-N 3.2Å; E51-F53 VanDerWaalsContact C-N 3.29Å; E51-F53 PolarHBondContact O-N 3.3Å; F53-L65 HydrophobicContact CD1-CD2 4.24Å; F53-I66 HydrophobicContact CB-CD1 3.92Å; F53-I66 HydrophobicContact CD1-CD1 3.97Å; F53-I66 HydrophobicContact CD2-CD1 3.6Å; F53-I66 HydrophobicContact CE1-CD1 4.42Å; F53-I66 HydrophobicContact CE2-CD1 4.06Å; F53-I66 HydrophobicContact CG-CD1 3.55Å; F53-I66 HydrophobicContact CZ-CD1 4.46Å; F53-F69 HydrophobicContact CB-CD1 3.67Å; F53-F69 HydrophobicContact CB-CD2 4.41Å; F53-F69 HydrophobicContact CB-CE1 3.62Å; F53-F69 HydrophobicContact CB-CE2 4.35Å; F53-F69 HydrophobicContact CB-CG 4.09Å; F53-F69 HydrophobicContact CB-CZ 3.97Å; F53-F69 HydrophobicContact CD2-CE2 4.1Å; F53-F69 HydrophobicContact CD2-CZ 4.02Å; F53-V96 HydrophobicContact CD1-CG1 4.25Å; F53-V96 HydrophobicContact CE1-CG1 3.4Å; F53-V96 VanDerWaalsContact CE1-CG1 3.4Å; F53-V96 HydrophobicContact CZ-CG1 3.63Å; F53-L97 HydrophobicContact CE2-CD1 4.5Å; F53-L97 HydrophobicContact CE2-CD2 3.68Å; F53-L97 HydrophobicContact CE2-CG 3.87Å; F53-L97 HydrophobicContact CZ-CD2 3.91Å; F53-L97 HydrophobicContact CZ-CG 4.18Å; F53-L116 HydrophobicContact CD2-CD1 4.22Å; F53-L116 HydrophobicContact CE2-CD1 3.88Å
54	S	73.5	Confident	64.1	Low	28 Å²	28	26.9 Å²	26.9	20%	0.196	16%	0.162	C	C	.	.	H	α-helix	trans	-81.5	-37.4	178	-176.6	0	0	0	0	112.3	S50 E51 A52 R57	S50-S54 PolarHBondContact O-N 2.96Å; E51-S54 WeakPolarHBondContact O-CB 3.44Å; E51-S54 PolarHBondContact O-N 3.11Å; A52-S54 VanDerWaalsContact C-N 3.3Å; A52-S54 PolarHBondContact O-N 3.4Å; S54-R57 PolarHBondContact O-NH1 3.42Å
55	T	64.5	Low	64.9	Low	43 Å²	43	25.7 Å²	25.7	26%	0.264	16%	0.155	S	C	.	.	H	α-helix	trans	-89.7	-42.1	-173.5	56.2	0	0	0	0	112.5	E51 R57	E51-T55 HydrophobicContact CG-CG2 4.09Å; E51-T55 WeakPolarHBondContact O-CG2 3.34Å; E51-T55 PolarHBondContact O-N 2.88Å; E51-T55 PolarHBondContact O-OG1 2.85Å; T55-R57 PolarHBondContact O-NH1 3.03Å
56	F	64.6	Low	66.1	Low	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.149	C	C	.	.			trans	-70.2	143.8	-170.6	-63.9	-0.1	0	0	0	111.5	P43 D44 S45 A46 A52 L65 L225 I236 R238	P43-F56 VanDerWaalsContact O-CD1 3.23Å; P43-F56 WeakPolarHBondContact O-CD1 3.38Å; D44-F56 VanDerWaalsContact C-CZ 3.47Å; D44-F56 WeakPolarHBondContact O-CE1 3.23Å; D44-F56 VanDerWaalsContact O-CZ 3.26Å; D44-F56 WeakPolarHBondContact O-CZ 3.35Å; S45-F56 VanDerWaalsContact N-CE1 3.29Å; A46-F56 HydrophobicContact CB-CE1 3.97Å; A46-F56 HydrophobicContact CB-CZ 3.83Å; A52-F56 HydrophobicContact CB-CD2 3.96Å; A52-F56 HydrophobicContact CB-CE1 4.38Å; A52-F56 HydrophobicContact CB-CE2 3.71Å; A52-F56 HydrophobicContact CB-CG 4.43Å; A52-F56 HydrophobicContact CB-CZ 3.94Å; A52-F56 WeakPolarHBondContact O-CB 3.48Å; A52-F56 WeakPolarHBondContact O-CG 3.25Å; A52-F56 PolarHBondContact O-N 3.49Å; F56-L65 HydrophobicContact CB-CB 4.44Å; F56-L65 PolarHBondContact O-N 3.23Å; F56-L65 VanDerWaalsContact O-N 3.09Å; F56-L225 HydrophobicContact CD2-CD2 3.62Å; F56-L225 HydrophobicContact CE2-CD2 3.55Å; F56-I236 HydrophobicContact CE2-CG2 4.13Å; F56-I236 HydrophobicContact CZ-CG2 4.45Å; F56-R238 HydrophobicContact CD2-CB 3.83Å; F56-R238 HydrophobicContact CD2-CG 4.26Å; F56-R238 HydrophobicContact CE2-CB 3.75Å; F56-R238 HydrophobicContact CG-CB 4.38Å; F56-R238 HydrophobicContact CZ-CB 4.29Å
57	R	60.6	Low	66.8	Low	55 Å²	55	26.5 Å²	26.5	21%	0.208	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-114	141.2	-179.3	-60.8	-65	-179.5	-108.8	3.1	111	S54 T55 G63 R238	S54-R57 PolarHBondContact O-NH1 3.42Å; T55-R57 PolarHBondContact O-NH1 3.03Å; R57-G63 CarbonylContact C-O 3.55Å; R57-G63 WeakPolarHBondContact CA-O 3.06Å; R57-G63 WeakPolarHBondContact CB-O 3.5Å; R57-G63 VanDerWaalsContact CD-O 3.26Å; R57-G63 WeakPolarHBondContact CD-O 3.23Å; R57-R238 PolarHBondContact O-NE 2.9Å
58	D	54	Low	67.3	Low	14 Å²	14	27.2 Å²	27.2	8%	0.075	16%	0.16	C	C	.	.			trans	-62.5	123.9	167.3	177.1	-39.4	0	0	0	107.4	Y60 T61 G62 G63 K201	D58-Y60 PolarHBondContact O-N 2.95Å; D58-Y60 WeakPolarHBondContact OD1-CA 3.47Å; D58-Y60 VanDerWaalsContact OD1-CB 3.3Å; D58-Y60 WeakPolarHBondContact OD1-CB 3.4Å; D58-Y60 WeakPolarHBondContact OD1-CD2 3.48Å; D58-Y60 PolarHBondContact OD1-N 3.27Å; D58-T61 WeakPolarHBondContact CB-OG1 2.91Å; D58-T61 PolarHBondContact OD1-N 3.3Å; D58-T61 VanDerWaalsContact OD1-N 3.12Å; D58-G62 WeakPolarHBondContact O-CA 3.31Å; D58-G62 PolarHBondContact O-N 3.35Å; D58-G63 PolarHBondContact N-O 3.32Å; D58-K201 IonicContact OD1-NZ 3.97Å; D58-K201 IonicContact OD2-NZ 2.8Å; D58-K201 PolarHBondContact OD2-NZ 3.12Å
59	P	48.2	Very low	67.5	Low	16 Å²	16	26 Å²	26	10%	0.104	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.1	-171	33.9	-34.6	0	0	0	112.6	D223 R238 I240	P59-D223 WeakPolarHBondContact CD-OD2 3.21Å; P59-D223 HydrophobicContact CG-CB 4.44Å; P59-D223 WeakPolarHBondContact CG-OD2 3.24Å; P59-R238 VanDerWaalsContact CB-NH2 3.26Å; P59-I240 HydrophobicContact CB-CD1 4.22Å; P59-I240 HydrophobicContact CG-CD1 4.14Å
60	Y	47.7	Very low	67.4	Low	26 Å²	26	29.3 Å²	29.3	10%	0.102	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-33.6	-178.6	-53.5	-68	0	0	0	111.3	D58 K201 K203 P210	D58-Y60 PolarHBondContact O-N 2.95Å; D58-Y60 WeakPolarHBondContact OD1-CA 3.47Å; D58-Y60 VanDerWaalsContact OD1-CB 3.3Å; D58-Y60 WeakPolarHBondContact OD1-CB 3.4Å; D58-Y60 WeakPolarHBondContact OD1-CD2 3.48Å; D58-Y60 PolarHBondContact OD1-N 3.27Å; Y60-K201 HydrophobicContact CD2-CD 4.35Å; Y60-K201 HydrophobicContact CE2-CD 4.48Å; Y60-K203 HydrophobicContact CD1-CD 4.41Å; Y60-K203 HydrophobicContact CE1-CD 3.81Å; Y60-K203 HydrophobicContact CE2-CD 4.22Å; Y60-K203 VanDerWaalsContact CZ-CE 3.45Å; Y60-P210 HydrophobicContact CD1-CG 4.21Å; Y60-P210 HydrophobicContact CG-CG 4.48Å
61	T	48.4	Very low	67.2	Low	90 Å²	90	32.1 Å²	32.1	55%	0.552	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-17.9	178.9	67.1	0	0	0	0	113	D58 G63	D58-T61 WeakPolarHBondContact CB-OG1 2.91Å; D58-T61 PolarHBondContact OD1-N 3.3Å; D58-T61 VanDerWaalsContact OD1-N 3.12Å; T61-G63 PolarHBondContact O-N 3.04Å; T61-G63 PolarHBondContact OG1-N 2.86Å
62	G	50.2	Low	67.4	Low	16 Å²	16	34.3 Å²	34.3	17%	0.165	19%	0.194	C	C	.	.			trans	68.5	0.9	-169.8	0	0	0	0	0	114	D58	D58-G62 WeakPolarHBondContact O-CA 3.31Å; D58-G62 PolarHBondContact O-N 3.35Å
63	G	57.4	Low	67.5	Low	31 Å²	31	35.6 Å²	35.6	32%	0.32	21%	0.208	S	C	.	.	S	Bend	trans	-77.3	175	179.3	0	0	0	0	0	112.7	R57 D58 T61	R57-G63 CarbonylContact C-O 3.55Å; R57-G63 WeakPolarHBondContact CA-O 3.06Å; R57-G63 WeakPolarHBondContact CB-O 3.5Å; R57-G63 VanDerWaalsContact CD-O 3.26Å; R57-G63 WeakPolarHBondContact CD-O 3.23Å; D58-G63 PolarHBondContact N-O 3.32Å; T61-G63 PolarHBondContact O-N 3.04Å; T61-G63 PolarHBondContact OG1-N 2.86Å
64	Q	65.3	Low	67.5	Low	48 Å²	48	42.6 Å²	42.6	22%	0.224	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-62.4	147.1	172	-58.4	-174.8	-62.5	0	0	110.7	I66 F69	Q64-I66 VanDerWaalsContact CB-O 3.28Å; Q64-I66 WeakPolarHBondContact CB-O 3.44Å; Q64-I66 PolarHBondContact O-N 3.45Å; Q64-I66 PolarHBondContact OE1-O 2.68Å; Q64-F69 PolarHBondContact NE2-O 2.9Å; Q64-F69 VanDerWaalsContact NE2-O 3.11Å
65	L	67.7	Low	67.7	Low	23 Å²	23	43.9 Å²	43.9	12%	0.12	25%	0.247	C	C	.	.	S	Bend	trans	-57.5	-39.8	173.8	-179.2	67.1	0	0	0	111.9	F53 F56 L200	F53-L65 HydrophobicContact CD1-CD2 4.24Å; F56-L65 HydrophobicContact CB-CB 4.44Å; F56-L65 PolarHBondContact O-N 3.23Å; F56-L65 VanDerWaalsContact O-N 3.09Å; L65-L200 HydrophobicContact CD1-CD1 3.79Å; L65-L200 HydrophobicContact CD2-CD1 3.51Å; L65-L200 HydrophobicContact CG-CD1 4.19Å
66	I	78.9	Confident	68.2	Low	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-117	109.1	167.9	-60.5	169.5	0	0	0	106.4	F53 Q64 F69 C89 C92 A93 V96	F53-I66 HydrophobicContact CB-CD1 3.92Å; F53-I66 HydrophobicContact CD1-CD1 3.97Å; F53-I66 HydrophobicContact CD2-CD1 3.6Å; F53-I66 HydrophobicContact CE1-CD1 4.42Å; F53-I66 HydrophobicContact CE2-CD1 4.06Å; F53-I66 HydrophobicContact CG-CD1 3.55Å; F53-I66 HydrophobicContact CZ-CD1 4.46Å; Q64-I66 VanDerWaalsContact CB-O 3.28Å; Q64-I66 WeakPolarHBondContact CB-O 3.44Å; Q64-I66 PolarHBondContact O-N 3.45Å; Q64-I66 PolarHBondContact OE1-O 2.68Å; I66-F69 HydrophobicContact CB-CB 3.84Å; I66-F69 HydrophobicContact CB-CG 4.42Å; I66-F69 HydrophobicContact CD1-CD2 4.4Å; I66-F69 HydrophobicContact CG2-CB 3.79Å; I66-F69 HydrophobicContact CG2-CD2 4.26Å; I66-F69 HydrophobicContact CG2-CG 4.41Å; I66-F69 WeakPolarHBondContact O-CB 3.19Å; I66-F69 PolarHBondContact O-N 2.82Å; I66-C89 HydrophobicContact CG2-CB 4.46Å; I66-C89 WeakPolarHBondContact CG2-O 3.34Å; I66-C92 HydrophobicContact CG2-CB 4.13Å; I66-A93 HydrophobicContact CD1-CB 3.94Å; I66-A93 HydrophobicContact CG2-CB 4.12Å; I66-V96 HydrophobicContact CD1-CB 4.3Å; I66-V96 HydrophobicContact CD1-CG1 4.48Å; I66-V96 HydrophobicContact CD1-CG2 4.46Å; I66-V96 HydrophobicContact CG1-CG2 4.21Å
67	P	77.1	Confident	68.9	Low	35 Å²	35	57.9 Å²	57.9	23%	0.227	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	138.7	177.5	-24.5	33.8	0	0	0	111.7	F69 C89	P67-F69 PolarHBondContact O-N 2.62Å; P67-C89 WeakPolarHBondContact O-CA 3.18Å; P67-C89 WeakPolarHBondContact O-CB 3.42Å; P67-C89 PolarHBondContact O-SG 3.23Å
68	D	80	Confident	69.9	Low	67 Å²	67	57.3 Å²	57.3	36%	0.358	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	24.3	178.6	-44.9	-51.1	0	0	0	114.7	A85 T86 C89	D68-A85 HydrophobicContact CB-CB 4.26Å; D68-A85 PolarHBondContact O-N 2.72Å; D68-T86 HydrophobicContact CB-CG2 4.2Å; D68-T86 WeakPolarHBondContact OD2-CB 3.01Å; D68-T86 WeakPolarHBondContact OD2-CG2 3.4Å; D68-T86 PolarHBondContact OD2-OG1 2.92Å; D68-C89 VanDerWaalsContact C-SG 3.57Å; D68-C89 HydrophobicContact CB-CB 4.28Å; D68-C89 PolarHBondContact O-SG 2.77Å; D68-C89 VanDerWaalsContact O-SG 3.41Å
69	F	82.4	Confident	71.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.4	170.9	-172.8	-83.1	0	0	0	109.8	S50 F53 Q64 I66 P67 I82 L120	S50-F69 WeakPolarHBondContact O-CE1 3.26Å; F53-F69 HydrophobicContact CB-CD1 3.67Å; F53-F69 HydrophobicContact CB-CD2 4.41Å; F53-F69 HydrophobicContact CB-CE1 3.62Å; F53-F69 HydrophobicContact CB-CE2 4.35Å; F53-F69 HydrophobicContact CB-CG 4.09Å; F53-F69 HydrophobicContact CB-CZ 3.97Å; F53-F69 HydrophobicContact CD2-CE2 4.1Å; F53-F69 HydrophobicContact CD2-CZ 4.02Å; Q64-F69 PolarHBondContact NE2-O 2.9Å; Q64-F69 VanDerWaalsContact NE2-O 3.11Å; I66-F69 HydrophobicContact CB-CB 3.84Å; I66-F69 HydrophobicContact CB-CG 4.42Å; I66-F69 HydrophobicContact CD1-CD2 4.4Å; I66-F69 HydrophobicContact CG2-CB 3.79Å; I66-F69 HydrophobicContact CG2-CD2 4.26Å; I66-F69 HydrophobicContact CG2-CG 4.41Å; I66-F69 WeakPolarHBondContact O-CB 3.19Å; I66-F69 PolarHBondContact O-N 2.82Å; P67-F69 PolarHBondContact O-N 2.62Å; F69-I82 HydrophobicContact CZ-CB 4.17Å; F69-I82 HydrophobicContact CZ-CG2 3.95Å; F69-L120 HydrophobicContact CE2-CD1 4.2Å
70	D	80.5	Confident	72.8	Confident	69 Å²	69	59.8 Å²	59.8	37%	0.369	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.1	178.3	-71.6	-41.6	0	0	0	111.1	L72 I82 N83	D70-L72 HydrophobicContact CB-CD2 3.94Å; D70-L72 HydrophobicContact CB-CG 4.31Å; D70-I82 CarbonylContact O-C 3.51Å; D70-I82 WeakPolarHBondContact O-CA 3.5Å; D70-N83 HydrophobicContact CB-CB 4.45Å; D70-N83 PolarHBondContact N-O 2.93Å; D70-N83 PolarHBondContact O-N 2.91Å
71	H	78.4	Confident	74.6	Confident	60 Å²	60	63.9 Å²	63.9	28%	0.278	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.1	163	-178.8	-115.8	0	0	0	109.4	G73	H71-G73 PolarHBondContact NE2-O 2.98Å
72	L	79.2	Confident	76.4	Confident	99 Å²	99	60.9 Å²	60.9	52%	0.518	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	12.9	-173	-56.6	176.6	0	0	0	113.3	D70 K81 N83	D70-L72 HydrophobicContact CB-CD2 3.94Å; D70-L72 HydrophobicContact CB-CG 4.31Å; L72-K81 WeakPolarHBondContact CA-O 3.06Å; L72-K81 HydrophobicContact CB-CB 4.31Å; L72-K81 HydrophobicContact CB-CD 4.09Å; L72-K81 HydrophobicContact CB-CG 4.07Å; L72-K81 WeakPolarHBondContact CB-O 3.15Å; L72-K81 PolarHBondContact N-O 2.99Å; L72-N83 HydrophobicContact CD1-CB 4.11Å
73	G	78.1	Confident	78.1	Confident	28 Å²	28	63.3 Å²	63.3	29%	0.289	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	101.3	-155.4	-175.6	0	0	0	0	0	112.5	H71 K81	H71-G73 PolarHBondContact NE2-O 2.98Å; G73-K81 WeakPolarHBondContact O-CA 3.35Å; G73-K81 WeakPolarHBondContact O-CB 3.36Å; G73-K81 PolarHBondContact O-N 3.11Å
74	E	80.4	Confident	79.6	Confident	147 Å²	147	62 Å²	62	69%	0.687	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.9	-178.3	-66.8	176.5	177.6	0	0	111.8	N79	E74-N79 CarbonylContact C-O 3.56Å
75	T	78.3	Confident	80.3	Confident	54 Å²	54	63 Å²	63	33%	0.331	35%	0.351	S	S	.	.			trans	-78.4	167.8	168.3	59.2	0	0	0	0	110.4	D77 G78 N79 K81	T75-D77 PolarHBondContact O-N 3.44Å; T75-D77 VanDerWaalsContact O-N 3.12Å; T75-G78 PolarHBondContact O-N 3.22Å; T75-N79 WeakPolarHBondContact CB-O 3.05Å; T75-N79 PolarHBondContact N-O 3.24Å; T75-N79 WeakPolarHBondContact OG1-CB 3.3Å; T75-N79 PolarHBondContact OG1-N 2.94Å; T75-N79 PolarHBondContact OG1-O 3.48Å; T75-K81 HydrophobicContact CG2-CB 4.14Å
76	M	75.5	Confident	81	Confident	198 Å²	198	64.2 Å²	64.2	98%	0.975	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.2	178.4	-64.8	-166.9	-133.8	0	0	113.1	G78	M76-G78 PolarHBondContact O-N 3.32Å
77	D	79.2	Confident	81.1	Confident	139 Å²	139	67.7 Å²	67.7	74%	0.743	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	6.3	178.5	-54.6	-38.8	0	0	0	112.9	T75 N79	T75-D77 PolarHBondContact O-N 3.44Å; T75-D77 VanDerWaalsContact O-N 3.12Å; D77-N79 VanDerWaalsContact C-N 3.26Å; D77-N79 PolarHBondContact O-N 3.48Å
78	G	80	Confident	81.4	Confident	43 Å²	43	69.8 Å²	69.8	44%	0.443	38%	0.383	S	S	.	.	S	Bend	trans	77.5	2.8	-177.7	0	0	0	0	0	114.7	T75 M76	T75-G78 PolarHBondContact O-N 3.22Å; M76-G78 PolarHBondContact O-N 3.32Å
79	N	81.9	Confident	81.7	Confident	65 Å²	65	66.6 Å²	66.6	35%	0.348	37%	0.366	S	S	.	.			trans	-80.5	145.9	176.1	-65.1	-60.5	0	0	0	111.1	E74 T75 D77 K81 F115	E74-N79 CarbonylContact C-O 3.56Å; T75-N79 WeakPolarHBondContact CB-O 3.05Å; T75-N79 PolarHBondContact N-O 3.24Å; T75-N79 WeakPolarHBondContact OG1-CB 3.3Å; T75-N79 PolarHBondContact OG1-N 2.94Å; T75-N79 PolarHBondContact OG1-O 3.48Å; D77-N79 VanDerWaalsContact C-N 3.26Å; D77-N79 PolarHBondContact O-N 3.48Å; N79-K81 PolarHBondContact O-N 3.06Å; N79-F115 HydrophobicContact CB-CD2 4.32Å; N79-F115 HydrophobicContact CB-CE1 4.19Å; N79-F115 HydrophobicContact CB-CE2 3.62Å; N79-F115 HydrophobicContact CB-CZ 3.55Å
80	P	82.7	Confident	81.9	Confident	17 Å²	17	70.3 Å²	70.3	11%	0.11	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.6	-179.7	25.3	-31.4	0	0	0	111.2	S50 I82 F115 L116	S50-P80 WeakPolarHBondContact OG-CB 3.06Å; P80-I82 HydrophobicContact CB-CG2 4.11Å; P80-I82 PolarHBondContact O-N 2.77Å; P80-F115 HydrophobicContact CG-CD1 3.92Å; P80-F115 HydrophobicContact CG-CE1 3.69Å; P80-F115 WeakPolarHBondContact O-CE1 3.33Å; P80-L116 HydrophobicContact CG-CD2 4.12Å
81	K	84	Confident	82.1	Confident	113 Å²	113	67.2 Å²	67.2	49%	0.491	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.4	172.7	-171.5	-178.4	-179	178.9	0	108.1	L72 G73 T75 N79	L72-K81 WeakPolarHBondContact CA-O 3.06Å; L72-K81 HydrophobicContact CB-CB 4.31Å; L72-K81 HydrophobicContact CB-CD 4.09Å; L72-K81 HydrophobicContact CB-CG 4.07Å; L72-K81 WeakPolarHBondContact CB-O 3.15Å; L72-K81 PolarHBondContact N-O 2.99Å; G73-K81 WeakPolarHBondContact O-CA 3.35Å; G73-K81 WeakPolarHBondContact O-CB 3.36Å; G73-K81 PolarHBondContact O-N 3.11Å; T75-K81 HydrophobicContact CG2-CB 4.14Å; N79-K81 PolarHBondContact O-N 3.06Å
82	I	87	Confident	82.4	Confident	26 Å²	26	64.5 Å²	64.5	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.7	-174.1	66.2	-173.7	0	0	0	111.4	F69 D70 P80 L116 L120	F69-I82 HydrophobicContact CZ-CB 4.17Å; F69-I82 HydrophobicContact CZ-CG2 3.95Å; D70-I82 CarbonylContact O-C 3.51Å; D70-I82 WeakPolarHBondContact O-CA 3.5Å; P80-I82 HydrophobicContact CB-CG2 4.11Å; P80-I82 PolarHBondContact O-N 2.77Å; I82-L116 HydrophobicContact CD1-CB 4.36Å; I82-L116 HydrophobicContact CD1-CD2 3.37Å; I82-L116 HydrophobicContact CD1-CG 4.46Å; I82-L116 HydrophobicContact CG2-CD2 3.9Å; I82-L120 HydrophobicContact CD1-CD1 4.23Å; I82-L120 HydrophobicContact CD1-CD2 3.81Å; I82-L120 HydrophobicContact CD1-CG 3.73Å; I82-L120 HydrophobicContact CG1-CD2 4.01Å; I82-L120 HydrophobicContact CG1-CG 4.47Å
83	N	86.5	Confident	82.8	Confident	67 Å²	67	59.8 Å²	59.8	36%	0.358	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	140.2	169.8	-175.3	39.2	0	0	0	110.9	D70 L72	D70-N83 HydrophobicContact CB-CB 4.45Å; D70-N83 PolarHBondContact N-O 2.93Å; D70-N83 PolarHBondContact O-N 2.91Å; L72-N83 HydrophobicContact CD1-CB 4.11Å
84	C	87.9	Confident	83.3	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.034	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	105.9	163.7	-97.8	0	0	0	0	107.7	T86 C89 R90 L120	C84-T86 VanDerWaalsContact C-N 3.3Å; C84-T86 PolarHBondContact O-N 2.82Å; C84-C89 WeakPolarHBondContact CA-SG 3.36Å; C84-C89 HydrophobicContact CB-CB 3.57Å; C84-C89 WeakPolarHBondContact CB-SG 3.34Å; C84-C89 WeakPolarHBondContact SG-CB 3.1Å; C84-C89 CovalentContact SG-SG 2.05Å; C84-C89 PolarHBondContact SG-SG 2.04Å; C84-R90 HydrophobicContact CB-CG 3.79Å; C84-L120 HydrophobicContact CB-CD2 4Å
85	A	81	Confident	83.4	Confident	68 Å²	68	58.3 Å²	58.3	56%	0.562	31%	0.312	S	S	*	.			trans	-70.7	-27.1	-174.6	0	0	0	0	0	113.1	D68	D68-A85 HydrophobicContact CB-CB 4.26Å; D68-A85 PolarHBondContact O-N 2.72Å
86	T	82.2	Confident	83.7	Confident	49 Å²	49	56.3 Å²	56.3	30%	0.301	30%	0.3	S	S	.	.	S	Bend	trans	-119.9	159.2	-173.9	61.5	0	0	0	0	112.3	D68 C84 Q88 C89 R90	D68-T86 HydrophobicContact CB-CG2 4.2Å; D68-T86 WeakPolarHBondContact OD2-CB 3.01Å; D68-T86 WeakPolarHBondContact OD2-CG2 3.4Å; D68-T86 PolarHBondContact OD2-OG1 2.92Å; C84-T86 VanDerWaalsContact C-N 3.3Å; C84-T86 PolarHBondContact O-N 2.82Å; T86-Q88 VanDerWaalsContact C-N 3.28Å; T86-C89 WeakPolarHBondContact O-CB 3.07Å; T86-C89 PolarHBondContact O-N 2.92Å; T86-C89 PolarHBondContact OG1-N 3.48Å; T86-C89 VanDerWaalsContact OG1-N 3.16Å; T86-R90 PolarHBondContact O-N 2.91Å
87	E	81.6	Confident	84.4	Confident	73 Å²	73	47 Å²	47	34%	0.341	25%	0.253	S	S	.	.	H	α-helix	trans	-68.3	-30.7	172.6	-68.6	-167.5	144.7	0	0	111.7	C89 R90 G91 K126	E87-C89 PolarHBondContact O-N 2.8Å; E87-R90 PolarHBondContact O-N 3.22Å; E87-G91 PolarHBondContact O-N 3.49Å; E87-K126 IonicContact OE1-NZ 2.83Å; E87-K126 PolarHBondContact OE1-NZ 2.05Å
88	Q	82.1	Confident	84.7	Confident	78 Å²	78	44.3 Å²	44.3	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-58.1	-45.5	169.8	-175.9	177.6	13.6	0	0	111.6	T86 R90 G91 C92	T86-Q88 VanDerWaalsContact C-N 3.28Å; Q88-R90 VanDerWaalsContact C-N 3.32Å; Q88-R90 PolarHBondContact O-N 2.76Å; Q88-G91 PolarHBondContact O-N 3.37Å; Q88-C92 PolarHBondContact O-N 3.39Å; Q88-C92 PolarHBondContact O-SG 3.01Å
89	C	86	Confident	84.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-54.4	-48	174.6	-176.4	0	0	0	0	111.5	I66 P67 D68 C84 T86 E87 G91 C92 A93	I66-C89 HydrophobicContact CG2-CB 4.46Å; I66-C89 WeakPolarHBondContact CG2-O 3.34Å; P67-C89 WeakPolarHBondContact O-CA 3.18Å; P67-C89 WeakPolarHBondContact O-CB 3.42Å; P67-C89 PolarHBondContact O-SG 3.23Å; D68-C89 VanDerWaalsContact C-SG 3.57Å; D68-C89 HydrophobicContact CB-CB 4.28Å; D68-C89 PolarHBondContact O-SG 2.77Å; D68-C89 VanDerWaalsContact O-SG 3.41Å; C84-C89 WeakPolarHBondContact CA-SG 3.36Å; C84-C89 HydrophobicContact CB-CB 3.57Å; C84-C89 WeakPolarHBondContact CB-SG 3.34Å; C84-C89 WeakPolarHBondContact SG-CB 3.1Å; C84-C89 CovalentContact SG-SG 2.05Å; C84-C89 PolarHBondContact SG-SG 2.04Å; T86-C89 WeakPolarHBondContact O-CB 3.07Å; T86-C89 PolarHBondContact O-N 2.92Å; T86-C89 PolarHBondContact OG1-N 3.48Å; T86-C89 VanDerWaalsContact OG1-N 3.16Å; E87-C89 PolarHBondContact O-N 2.8Å; C89-G91 PolarHBondContact O-N 3.32Å; C89-C92 PolarHBondContact O-N 2.9Å; C89-A93 WeakPolarHBondContact O-CB 3.31Å; C89-A93 PolarHBondContact O-N 2.05Å
90	R	87.7	Confident	85	Confident	79 Å²	79	42.7 Å²	42.7	30%	0.298	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-40.8	179.9	-64.1	-179.3	-171.9	-137.1	4.8	112	C84 T86 E87 Q88 R94 L120 L122 W129	C84-R90 HydrophobicContact CB-CG 3.79Å; T86-R90 PolarHBondContact O-N 2.91Å; E87-R90 PolarHBondContact O-N 3.22Å; Q88-R90 VanDerWaalsContact C-N 3.32Å; Q88-R90 PolarHBondContact O-N 2.76Å; R90-R94 VanDerWaalsContact O-CB 3.32Å; R90-R94 WeakPolarHBondContact O-CB 3.36Å; R90-R94 PolarHBondContact O-N 3.44Å; R90-L120 PolarHBondContact NH1-O 3.39Å; R90-L122 HydrophobicContact CB-CD2 4.05Å; R90-W129 HydrophobicContact CB-CD2 4.21Å; R90-W129 HydrophobicContact CB-CE3 4.48Å; R90-W129 HydrophobicContact CB-CH2 4.5Å; R90-W129 HydrophobicContact CB-CZ2 4.21Å
91	G	85	Confident	85.2	Confident	4 Å²	4	45.6 Å²	45.6	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-49.9	174.6	0	0	0	0	0	112.3	E87 Q88 C89 R94 I95	E87-G91 PolarHBondContact O-N 3.49Å; Q88-G91 PolarHBondContact O-N 3.37Å; C89-G91 PolarHBondContact O-N 3.32Å; G91-R94 PolarHBondContact O-N 2.81Å; G91-I95 PolarHBondContact O-N 3.49Å
92	C	83.3	Confident	85.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-43.3	178.3	-66.2	0	0	0	0	112.3	I66 Q88 C89 R94 I95 V96 C131	I66-C92 HydrophobicContact CG2-CB 4.13Å; Q88-C92 PolarHBondContact O-N 3.39Å; Q88-C92 PolarHBondContact O-SG 3.01Å; C89-C92 PolarHBondContact O-N 2.9Å; C92-R94 VanDerWaalsContact C-N 3.28Å; C92-R94 PolarHBondContact O-N 3.02Å; C92-I95 PolarHBondContact O-N 3.18Å; C92-V96 WeakPolarHBondContact O-CG2 3.21Å; C92-V96 PolarHBondContact O-N 3.34Å; C92-C131 WeakPolarHBondContact CA-SG 3.41Å; C92-C131 HydrophobicContact CB-CB 3.99Å; C92-C131 WeakPolarHBondContact CB-SG 3.45Å; C92-C131 VanDerWaalsContact SG-CA 3.53Å; C92-C131 WeakPolarHBondContact SG-CB 3.43Å; C92-C131 CovalentContact SG-SG 2.04Å; C92-C131 PolarHBondContact SG-SG 3.24Å
93	A	88.9	Confident	84.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-41.2	175.8	0	0	0	0	0	112	I66 C89 V96 L97 L120 L122	I66-A93 HydrophobicContact CD1-CB 3.94Å; I66-A93 HydrophobicContact CG2-CB 4.12Å; C89-A93 WeakPolarHBondContact O-CB 3.31Å; C89-A93 PolarHBondContact O-N 2.05Å; A93-V96 PolarHBondContact O-N 2.85Å; A93-L97 WeakPolarHBondContact O-CB 3.4Å; A93-L97 WeakPolarHBondContact O-CG 3.5Å; A93-L97 PolarHBondContact O-N 3.44Å; A93-L120 HydrophobicContact CB-CD1 4.01Å; A93-L122 HydrophobicContact CB-CD1 4.44Å
94	R	87.7	Confident	84.4	Confident	63 Å²	63	43.5 Å²	43.5	24%	0.238	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-47.6	176	-176	-179.7	170.2	126.9	-5.7	111.9	R90 G91 C92 Q98 W117 L122 A125	R90-R94 VanDerWaalsContact O-CB 3.32Å; R90-R94 WeakPolarHBondContact O-CB 3.36Å; R90-R94 PolarHBondContact O-N 3.44Å; G91-R94 PolarHBondContact O-N 2.81Å; C92-R94 VanDerWaalsContact C-N 3.28Å; C92-R94 PolarHBondContact O-N 3.02Å; R94-Q98 WeakPolarHBondContact O-CB 3.47Å; R94-Q98 PolarHBondContact O-N 2.8Å; R94-W117 HydrophobicContact CG-CH2 3.78Å; R94-W117 HydrophobicContact CG-CZ3 4.1Å; R94-L122 HydrophobicContact CB-CD1 4.26Å; R94-L122 HydrophobicContact CB-CD2 4.47Å; R94-L122 PolarHBondContact NH1-O 2.96Å; R94-A125 VanDerWaalsContact NH1-CB 3.32Å
95	I	83.4	Confident	83.9	Confident	81 Å²	81	52.4 Å²	52.4	42%	0.415	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-49.3	179.4	-65	170.6	0	0	0	110.5	G91 C92 Q98 K99 C131	G91-I95 PolarHBondContact O-N 3.49Å; C92-I95 PolarHBondContact O-N 3.18Å; I95-Q98 PolarHBondContact O-N 3.23Å; I95-K99 WeakPolarHBondContact O-CG 3.19Å; I95-K99 PolarHBondContact O-N 2.94Å; I95-K99 VanDerWaalsContact O-N 3.13Å; I95-C131 HydrophobicContact CD1-CB 3.63Å
96	V	84.7	Confident	83.7	Confident	13 Å²	13	50.1 Å²	50.1	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-50.8	-178.1	175.2	0	0	0	0	110.7	F53 I66 C92 A93 Q98 K99 V100 L200	F53-V96 HydrophobicContact CD1-CG1 4.25Å; F53-V96 HydrophobicContact CE1-CG1 3.4Å; F53-V96 VanDerWaalsContact CE1-CG1 3.4Å; F53-V96 HydrophobicContact CZ-CG1 3.63Å; I66-V96 HydrophobicContact CD1-CB 4.3Å; I66-V96 HydrophobicContact CD1-CG1 4.48Å; I66-V96 HydrophobicContact CD1-CG2 4.46Å; I66-V96 HydrophobicContact CG1-CG2 4.21Å; C92-V96 WeakPolarHBondContact O-CG2 3.21Å; C92-V96 PolarHBondContact O-N 3.34Å; A93-V96 PolarHBondContact O-N 2.85Å; V96-Q98 VanDerWaalsContact C-N 3.31Å; V96-Q98 PolarHBondContact O-N 3.47Å; V96-K99 PolarHBondContact O-N 2.72Å; V96-V100 HydrophobicContact CG1-CG2 4.49Å; V96-V100 WeakPolarHBondContact O-CG2 3.4Å; V96-V100 PolarHBondContact O-N 3.25Å; V96-L200 HydrophobicContact CG1-CD2 3.99Å
97	L	88.5	Confident	83.7	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-36.3	179.5	-77.5	167.4	0	0	0	112.5	L49 F53 A93 V100 R101 A113 L116 W117 L122	L49-L97 HydrophobicContact CD1-CD2 4.43Å; F53-L97 HydrophobicContact CE2-CD1 4.5Å; F53-L97 HydrophobicContact CE2-CD2 3.68Å; F53-L97 HydrophobicContact CE2-CG 3.87Å; F53-L97 HydrophobicContact CZ-CD2 3.91Å; F53-L97 HydrophobicContact CZ-CG 4.18Å; A93-L97 WeakPolarHBondContact O-CB 3.4Å; A93-L97 WeakPolarHBondContact O-CG 3.5Å; A93-L97 PolarHBondContact O-N 3.44Å; L97-V100 PolarHBondContact O-N 2.9Å; L97-R101 WeakPolarHBondContact O-CB 3.32Å; L97-R101 VanDerWaalsContact O-CG 3.23Å; L97-R101 WeakPolarHBondContact O-CG 3.4Å; L97-R101 PolarHBondContact O-N 2.88Å; L97-A113 HydrophobicContact CD2-CB 3.93Å; L97-L116 HydrophobicContact CD1-CB 3.92Å; L97-L116 HydrophobicContact CD2-CB 4.15Å; L97-L116 HydrophobicContact CD2-CD1 4.07Å; L97-W117 HydrophobicContact CB-CE3 3.92Å; L97-W117 HydrophobicContact CB-CZ3 4.22Å; L97-L122 HydrophobicContact CD1-CD1 3.63Å
98	Q	86.9	Confident	83.7	Confident	83 Å²	83	48.4 Å²	48.4	39%	0.388	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-44.2	175.4	-177.1	174.4	-12.1	0	0	111.2	R94 I95 V96 R101 Q102 W117	R94-Q98 WeakPolarHBondContact O-CB 3.47Å; R94-Q98 PolarHBondContact O-N 2.8Å; I95-Q98 PolarHBondContact O-N 3.23Å; V96-Q98 VanDerWaalsContact C-N 3.31Å; V96-Q98 PolarHBondContact O-N 3.47Å; Q98-R101 PolarHBondContact O-N 2.73Å; Q98-Q102 VanDerWaalsContact O-CG 3.28Å; Q98-Q102 WeakPolarHBondContact O-CG 3.45Å; Q98-Q102 PolarHBondContact O-N 2.82Å; Q98-W117 HydrophobicContact CB-CH2 4.43Å; Q98-W117 HydrophobicContact CB-CZ3 4.11Å
99	K	84.5	Confident	83.6	Confident	74 Å²	74	44.8 Å²	44.8	32%	0.322	22%	0.221	S	C	.	.	H	α-helix	trans	-63.7	-44.7	176.2	-71.5	-178.1	174	-163.1	0	112.1	I95 V96 R101 Q102 A103 V198 P199 L200	I95-K99 WeakPolarHBondContact O-CG 3.19Å; I95-K99 PolarHBondContact O-N 2.94Å; I95-K99 VanDerWaalsContact O-N 3.13Å; V96-K99 PolarHBondContact O-N 2.72Å; K99-R101 PolarHBondContact O-N 2.85Å; K99-Q102 PolarHBondContact O-N 2.8Å; K99-A103 VanDerWaalsContact O-CB 3.31Å; K99-A103 WeakPolarHBondContact O-CB 3.41Å; K99-A103 PolarHBondContact O-N 3.02Å; K99-V198 HydrophobicContact CB-CG1 4.24Å; K99-P199 WeakPolarHBondContact CD-O 3.31Å; K99-P199 PolarHBondContact NZ-O 2.81Å; K99-L200 PolarHBondContact NZ-O 3.5Å
100	V	83.2	Confident	83.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59	-47.8	176	172.1	0	0	0	0	110.5	L49 V96 L97 Q102 A103 V104 I109 V198 L225	L49-V100 HydrophobicContact CD1-CG1 3.96Å; L49-V100 HydrophobicContact CD2-CG1 3.91Å; L49-V100 HydrophobicContact CD2-CG2 4.27Å; V96-V100 HydrophobicContact CG1-CG2 4.49Å; V96-V100 WeakPolarHBondContact O-CG2 3.4Å; V96-V100 PolarHBondContact O-N 3.25Å; L97-V100 PolarHBondContact O-N 2.9Å; V100-Q102 VanDerWaalsContact C-N 3.31Å; V100-Q102 PolarHBondContact O-N 2.82Å; V100-A103 PolarHBondContact O-N 2.96Å; V100-V104 HydrophobicContact CG1-CB 4.48Å; V100-V104 HydrophobicContact CG1-CG2 4.01Å; V100-V104 WeakPolarHBondContact O-CB 3.14Å; V100-V104 WeakPolarHBondContact O-CG2 3.38Å; V100-V104 PolarHBondContact O-N 3.5Å; V100-I109 HydrophobicContact CG1-CG2 3.99Å; V100-V198 HydrophobicContact CG2-CG1 4.32Å; V100-L225 HydrophobicContact CG2-CD1 4.1Å
101	R	86.5	Confident	83.6	Confident	79 Å²	79	50.5 Å²	50.5	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-31.8	179.6	-72.9	174.1	69	-160.9	2.3	113.7	L97 Q98 K99 Q110 A113 W117	L97-R101 WeakPolarHBondContact O-CB 3.32Å; L97-R101 VanDerWaalsContact O-CG 3.23Å; L97-R101 WeakPolarHBondContact O-CG 3.4Å; L97-R101 PolarHBondContact O-N 2.88Å; Q98-R101 PolarHBondContact O-N 2.73Å; K99-R101 PolarHBondContact O-N 2.85Å; R101-Q110 VanDerWaalsContact CA-NE2 3.33Å; R101-Q110 PolarHBondContact O-NE2 3.03Å; R101-A113 HydrophobicContact CG-CB 3.68Å; R101-W117 VanDerWaalsContact NH1-CD2 3.32Å
102	Q	84.1	Confident	83.8	Confident	140 Å²	140	51.7 Å²	51.7	65%	0.654	26%	0.256	S	S	*	.	H	α-helix	trans	-78.4	-35.3	177	-73.1	174.8	-8.4	0	0	112.3	Q98 K99 V100	Q98-Q102 VanDerWaalsContact O-CG 3.28Å; Q98-Q102 WeakPolarHBondContact O-CG 3.45Å; Q98-Q102 PolarHBondContact O-N 2.82Å; K99-Q102 PolarHBondContact O-N 2.8Å; V100-Q102 VanDerWaalsContact C-N 3.31Å; V100-Q102 PolarHBondContact O-N 2.82Å
103	A	79.3	Confident	84.1	Confident	16 Å²	16	51.6 Å²	51.6	13%	0.132	26%	0.255	C	S	.	.	H	α-helix	trans	-85.5	-56.2	-176.4	0	0	0	0	0	111.6	K99 V100 K196 V198	K99-A103 VanDerWaalsContact O-CB 3.31Å; K99-A103 WeakPolarHBondContact O-CB 3.41Å; K99-A103 PolarHBondContact O-N 3.02Å; V100-A103 PolarHBondContact O-N 2.96Å; A103-K196 WeakPolarHBondContact O-CD 2.82Å; A103-K196 WeakPolarHBondContact O-CE 3.06Å; A103-K196 PolarHBondContact O-NZ 3.34Å; A103-V198 HydrophobicContact CB-CB 4.27Å; A103-V198 HydrophobicContact CB-CG1 3.93Å; A103-V198 HydrophobicContact CB-CG2 3.7Å
104	V	77.7	Confident	84.2	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.03	27%	0.266	C	S	.	.			trans	-76.2	132.4	-167.3	-179.2	0	0	0	0	110.9	V100 D106 I109 Q110 V198 V227	V100-V104 HydrophobicContact CG1-CB 4.48Å; V100-V104 HydrophobicContact CG1-CG2 4.01Å; V100-V104 WeakPolarHBondContact O-CB 3.14Å; V100-V104 WeakPolarHBondContact O-CG2 3.38Å; V100-V104 PolarHBondContact O-N 3.5Å; V104-D106 HydrophobicContact CG1-CB 3.59Å; V104-I109 HydrophobicContact CB-CG2 4.39Å; V104-I109 HydrophobicContact CG1-CB 4.04Å; V104-I109 HydrophobicContact CG1-CD1 4.35Å; V104-I109 HydrophobicContact CG1-CG2 3.86Å; V104-Q110 PolarHBondContact O-NE2 2.82Å; V104-V198 HydrophobicContact CG2-CG2 3.62Å; V104-V227 HydrophobicContact CG1-CG1 3.77Å; V104-V227 HydrophobicContact CG2-CB 4.06Å; V104-V227 HydrophobicContact CG2-CG1 4.14Å; V104-V227 HydrophobicContact CG2-CG2 3.75Å
105	K	77.7	Confident	84.4	Confident	192 Å²	192	53.4 Å²	53.4	84%	0.835	27%	0.266	S	S	*	.			trans	-98.8	-6.6	172.4	-71.5	-172.8	177.8	-179.1	0	113.4	G107	K105-G107 PolarHBondContact O-N 2.85Å
106	D	77.5	Confident	84.8	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.112	25%	0.246	C	C	.	.			trans	-57.9	125.7	179	-178.7	-98.9	0	0	0	111.6	V104 A108 I109 Q110 Q230	V104-D106 HydrophobicContact CG1-CB 3.59Å; D106-A108 PolarHBondContact O-N 3.01Å; D106-A108 WeakPolarHBondContact OD1-CB 3.18Å; D106-A108 PolarHBondContact OD1-N 3.38Å; D106-I109 HydrophobicContact CB-CB 4.18Å; D106-I109 HydrophobicContact CB-CD1 4.2Å; D106-I109 HydrophobicContact CB-CG1 4.39Å; D106-I109 WeakPolarHBondContact OD1-CG1 3.48Å; D106-I109 PolarHBondContact OD1-N 3.12Å; D106-Q110 VanDerWaalsContact O-CB 3.26Å; D106-Q110 WeakPolarHBondContact O-CB 3.08Å; D106-Q110 WeakPolarHBondContact O-CG 3.1Å; D106-Q110 PolarHBondContact O-N 3.11Å; D106-Q230 VanDerWaalsContact OD2-CD 3.29Å; D106-Q230 WeakPolarHBondContact OD2-CG 3.49Å; D106-Q230 PolarHBondContact OD2-NE2 3.05Å
107	G	81.4	Confident	85.2	Confident	32 Å²	32	49.8 Å²	49.8	33%	0.33	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-37.7	-174.5	0	0	0	0	0	113.6	K105 Q111	K105-G107 PolarHBondContact O-N 2.85Å; G107-Q111 WeakPolarHBondContact O-CB 3.37Å; G107-Q111 VanDerWaalsContact O-CG 3.23Å; G107-Q111 WeakPolarHBondContact O-CG 3.45Å; G107-Q111 PolarHBondContact O-N 3.26Å
108	A	80.9	Confident	85.4	Confident	53 Å²	53	57.2 Å²	57.2	44%	0.438	27%	0.273	S	S	.	.	H	α-helix	trans	-71.1	-46.1	-178.9	0	0	0	0	0	110.9	D106 Q110 Q111 E112	D106-A108 PolarHBondContact O-N 3.01Å; D106-A108 WeakPolarHBondContact OD1-CB 3.18Å; D106-A108 PolarHBondContact OD1-N 3.38Å; A108-Q110 VanDerWaalsContact C-N 3.32Å; A108-Q110 PolarHBondContact O-N 3.43Å; A108-Q111 PolarHBondContact O-N 3.24Å; A108-E112 PolarHBondContact O-N 3.48Å
109	I	81.5	Confident	85.5	Confident	3 Å²	3	56 Å²	56	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-36	177.1	-65.8	173.4	0	0	0	111	L49 V100 V104 D106 E112 A113 V227 I236	L49-I109 HydrophobicContact CD1-CG2 3.7Å; L49-I109 HydrophobicContact CD2-CG2 4.18Å; L49-I109 HydrophobicContact CG-CG2 3.96Å; V100-I109 HydrophobicContact CG1-CG2 3.99Å; V104-I109 HydrophobicContact CB-CG2 4.39Å; V104-I109 HydrophobicContact CG1-CB 4.04Å; V104-I109 HydrophobicContact CG1-CD1 4.35Å; V104-I109 HydrophobicContact CG1-CG2 3.86Å; D106-I109 HydrophobicContact CB-CB 4.18Å; D106-I109 HydrophobicContact CB-CD1 4.2Å; D106-I109 HydrophobicContact CB-CG1 4.39Å; D106-I109 WeakPolarHBondContact OD1-CG1 3.48Å; D106-I109 PolarHBondContact OD1-N 3.12Å; I109-E112 PolarHBondContact O-N 3.19Å; I109-A113 WeakPolarHBondContact O-CB 3.07Å; I109-A113 PolarHBondContact O-N 2.8Å; I109-V227 HydrophobicContact CD1-CB 4.43Å; I109-V227 HydrophobicContact CD1-CG1 3.14Å; I109-I236 HydrophobicContact CD1-CD1 4.22Å; I109-I236 HydrophobicContact CD1-CG1 4.07Å
110	Q	85.9	Confident	85.8	Confident	51 Å²	51	52.7 Å²	52.7	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-42.3	172.8	-80.1	-72.2	-14.8	0	0	112.6	R101 V104 D106 A108 A113 Q114	R101-Q110 VanDerWaalsContact CA-NE2 3.33Å; R101-Q110 PolarHBondContact O-NE2 3.03Å; V104-Q110 PolarHBondContact O-NE2 2.82Å; D106-Q110 VanDerWaalsContact O-CB 3.26Å; D106-Q110 WeakPolarHBondContact O-CB 3.08Å; D106-Q110 WeakPolarHBondContact O-CG 3.1Å; D106-Q110 PolarHBondContact O-N 3.11Å; A108-Q110 VanDerWaalsContact C-N 3.32Å; A108-Q110 PolarHBondContact O-N 3.43Å; Q110-A113 PolarHBondContact O-N 3.48Å; Q110-Q114 VanDerWaalsContact O-CB 3.24Å; Q110-Q114 WeakPolarHBondContact O-CB 3.48Å; Q110-Q114 PolarHBondContact O-N 2.88Å
111	Q	87.8	Confident	86	Confident	147 Å²	147	58 Å²	58	69%	0.687	29%	0.288	S	S	*	.	H	α-helix	trans	-63.9	-44.4	176	-76.3	174	11.2	0	0	111.3	G107 A108 Q114 F115	G107-Q111 WeakPolarHBondContact O-CB 3.37Å; G107-Q111 VanDerWaalsContact O-CG 3.23Å; G107-Q111 WeakPolarHBondContact O-CG 3.45Å; G107-Q111 PolarHBondContact O-N 3.26Å; A108-Q111 PolarHBondContact O-N 3.24Å; Q111-Q114 PolarHBondContact O-N 2.83Å; Q111-F115 WeakPolarHBondContact O-CB 3.41Å; Q111-F115 PolarHBondContact O-N 2.89Å
112	E	87.7	Confident	86.1	Confident	30 Å²	30	54.2 Å²	54.2	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-47.7	175.1	-168.4	-174.9	176.6	0	0	110.9	S48 L49 S50 A108 I109 Q114 F115 L116	S48-E112 WeakPolarHBondContact CA-OE2 3.4Å; S48-E112 VanDerWaalsContact CB-OE1 3.26Å; S48-E112 WeakPolarHBondContact CB-OE1 3Å; S48-E112 WeakPolarHBondContact CB-OE2 3.42Å; S48-E112 PolarHBondContact OG-OE1 2.89Å; L49-E112 HydrophobicContact CB-CG 4.39Å; L49-E112 HydrophobicContact CD1-CB 4.47Å; L49-E112 VanDerWaalsContact N-CD 3.25Å; L49-E112 PolarHBondContact N-OE1 2.76Å; L49-E112 VanDerWaalsContact N-OE1 3.11Å; L49-E112 PolarHBondContact N-OE2 3.16Å; S50-E112 WeakPolarHBondContact CB-OE1 3.28Å; S50-E112 PolarHBondContact N-OE1 2.92Å; S50-E112 PolarHBondContact OG-OE1 3.26Å; A108-E112 PolarHBondContact O-N 3.48Å; I109-E112 PolarHBondContact O-N 3.19Å; E112-Q114 PolarHBondContact O-N 3.32Å; E112-F115 WeakPolarHBondContact O-CA 3.41Å; E112-F115 WeakPolarHBondContact O-CB 3.35Å; E112-F115 PolarHBondContact O-N 3.05Å; E112-L116 HydrophobicContact CG-CD1 4.28Å; E112-L116 HydrophobicContact CG-CG 4.27Å; E112-L116 VanDerWaalsContact O-CG 3.31Å; E112-L116 WeakPolarHBondContact O-CG 3.34Å; E112-L116 PolarHBondContact O-N 3.41Å
113	A	89.5	Confident	86.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.2	-38.9	177	0	0	0	0	0	112	L49 L97 R101 I109 Q110 W117	L49-A113 HydrophobicContact CD1-CB 3.64Å; L97-A113 HydrophobicContact CD2-CB 3.93Å; R101-A113 HydrophobicContact CG-CB 3.68Å; I109-A113 WeakPolarHBondContact O-CB 3.07Å; I109-A113 PolarHBondContact O-N 2.8Å; Q110-A113 PolarHBondContact O-N 3.48Å; A113-W117 VanDerWaalsContact O-CB 3.25Å; A113-W117 WeakPolarHBondContact O-CB 3.31Å; A113-W117 PolarHBondContact O-N 3.31Å
114	Q	91.6	Very high	85.8	Confident	48 Å²	48	59.3 Å²	59.3	22%	0.224	30%	0.298	C	S	.	.	H	α-helix	trans	-70.7	-36.3	176.4	-174.5	60.9	59.4	0	0	112.5	Q110 Q111 E112 R118	Q110-Q114 VanDerWaalsContact O-CB 3.24Å; Q110-Q114 WeakPolarHBondContact O-CB 3.48Å; Q110-Q114 PolarHBondContact O-N 2.88Å; Q111-Q114 PolarHBondContact O-N 2.83Å; E112-Q114 PolarHBondContact O-N 3.32Å; Q114-R118 WeakPolarHBondContact O-CG 3.35Å; Q114-R118 PolarHBondContact O-N 3.22Å
115	F	92.5	Very high	85.2	Confident	53 Å²	53	62.2 Å²	62.2	23%	0.232	32%	0.323	C	S	.	.	H	α-helix	trans	-62.9	-53.3	171.8	170.7	-91.7	0	0	0	110.5	N79 P80 Q111 E112 W117 R118 S119	N79-F115 HydrophobicContact CB-CD2 4.32Å; N79-F115 HydrophobicContact CB-CE1 4.19Å; N79-F115 HydrophobicContact CB-CE2 3.62Å; N79-F115 HydrophobicContact CB-CZ 3.55Å; P80-F115 HydrophobicContact CG-CD1 3.92Å; P80-F115 HydrophobicContact CG-CE1 3.69Å; P80-F115 WeakPolarHBondContact O-CE1 3.33Å; Q111-F115 WeakPolarHBondContact O-CB 3.41Å; Q111-F115 PolarHBondContact O-N 2.89Å; E112-F115 WeakPolarHBondContact O-CA 3.41Å; E112-F115 WeakPolarHBondContact O-CB 3.35Å; E112-F115 PolarHBondContact O-N 3.05Å; F115-W117 VanDerWaalsContact C-N 3.26Å; F115-W117 PolarHBondContact O-N 2.05Å; F115-R118 PolarHBondContact O-N 3.34Å; F115-R118 VanDerWaalsContact O-N 3.13Å; F115-S119 WeakPolarHBondContact CE1-OG 3.31Å; F115-S119 WeakPolarHBondContact CE2-OG 3.35Å; F115-S119 WeakPolarHBondContact CZ-OG 3.46Å; F115-S119 WeakPolarHBondContact O-CB 3.28Å; F115-S119 PolarHBondContact O-N 3.34Å; F115-S119 PolarHBondContact O-OG 3.4Å; F115-S119 VanDerWaalsContact O-OG 3.11Å
116	L	91.7	Very high	84.6	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-41.7	178.6	-61.3	179.9	0	0	0	111.2	L49 F53 P80 I82 L97 E112 R118 S119 L120	L49-L116 HydrophobicContact CB-CD1 3.78Å; F53-L116 HydrophobicContact CD2-CD1 4.22Å; F53-L116 HydrophobicContact CE2-CD1 3.88Å; P80-L116 HydrophobicContact CG-CD2 4.12Å; I82-L116 HydrophobicContact CD1-CB 4.36Å; I82-L116 HydrophobicContact CD1-CD2 3.37Å; I82-L116 HydrophobicContact CD1-CG 4.46Å; I82-L116 HydrophobicContact CG2-CD2 3.9Å; L97-L116 HydrophobicContact CD1-CB 3.92Å; L97-L116 HydrophobicContact CD2-CB 4.15Å; L97-L116 HydrophobicContact CD2-CD1 4.07Å; E112-L116 HydrophobicContact CG-CD1 4.28Å; E112-L116 HydrophobicContact CG-CG 4.27Å; E112-L116 VanDerWaalsContact O-CG 3.31Å; E112-L116 WeakPolarHBondContact O-CG 3.34Å; E112-L116 PolarHBondContact O-N 3.41Å; L116-R118 PolarHBondContact O-N 3.45Å; L116-S119 PolarHBondContact O-N 2.78Å; L116-L120 WeakPolarHBondContact O-CB 3.39Å; L116-L120 VanDerWaalsContact O-CG 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.1Å; L116-L120 PolarHBondContact O-N 2.79Å
117	W	93.3	Very high	83.6	Confident	17 Å²	17	69.1 Å²	69.1	6%	0.064	35%	0.345	C	S	.	.	H	α-helix	trans	-58.1	-45.2	177.1	-171.5	-79.5	0	0	0	113	R94 L97 Q98 R101 A113 F115 N121 L122 D123	R94-W117 HydrophobicContact CG-CH2 3.78Å; R94-W117 HydrophobicContact CG-CZ3 4.1Å; L97-W117 HydrophobicContact CB-CE3 3.92Å; L97-W117 HydrophobicContact CB-CZ3 4.22Å; Q98-W117 HydrophobicContact CB-CH2 4.43Å; Q98-W117 HydrophobicContact CB-CZ3 4.11Å; R101-W117 VanDerWaalsContact NH1-CD2 3.32Å; A113-W117 VanDerWaalsContact O-CB 3.25Å; A113-W117 WeakPolarHBondContact O-CB 3.31Å; A113-W117 PolarHBondContact O-N 3.31Å; F115-W117 VanDerWaalsContact C-N 3.26Å; F115-W117 PolarHBondContact O-N 2.05Å; W117-N121 PolarHBondContact O-N 2.91Å; W117-L122 HydrophobicContact CD2-CB 3.87Å; W117-L122 HydrophobicContact CD2-CD1 4.27Å; W117-L122 HydrophobicContact CE3-CB 4.32Å; W117-L122 HydrophobicContact CE3-CD1 4.06Å; W117-L122 HydrophobicContact CG-CB 4.15Å; W117-L122 HydrophobicContact CZ2-CB 4.26Å; W117-L122 PolarHBondContact O-N 2.83Å; W117-D123 PolarHBondContact NE1-OD1 2.83Å
118	R	92.1	Very high	82.4	Confident	157 Å²	157	71.7 Å²	71.7	59%	0.592	35%	0.351	S	S	*	.	H	α-helix	trans	-73	-46.4	178.6	-69.6	175.7	-172	164.7	3.7	111.5	Q114 F115 L116 L120 N121	Q114-R118 WeakPolarHBondContact O-CG 3.35Å; Q114-R118 PolarHBondContact O-N 3.22Å; F115-R118 PolarHBondContact O-N 3.34Å; F115-R118 VanDerWaalsContact O-N 3.13Å; L116-R118 PolarHBondContact O-N 3.45Å; R118-L120 PolarHBondContact O-N 3.01Å; R118-N121 WeakPolarHBondContact O-CA 3.35Å; R118-N121 PolarHBondContact O-N 2.96Å; R118-N121 PolarHBondContact O-OD1 3Å; R118-N121 VanDerWaalsContact O-OD1 3.1Å
119	S	89.8	Confident	81.5	Confident	57 Å²	57	70.7 Å²	70.7	40%	0.399	34%	0.336	S	S	.	.	H	α-helix	trans	-61.7	-30.9	-178.1	-65.8	0	0	0	0	112.9	F115 L116	F115-S119 WeakPolarHBondContact CE1-OG 3.31Å; F115-S119 WeakPolarHBondContact CE2-OG 3.35Å; F115-S119 WeakPolarHBondContact CZ-OG 3.46Å; F115-S119 WeakPolarHBondContact O-CB 3.28Å; F115-S119 PolarHBondContact O-N 3.34Å; F115-S119 PolarHBondContact O-OG 3.4Å; F115-S119 VanDerWaalsContact O-OG 3.11Å; L116-S119 PolarHBondContact O-N 2.78Å
120	L	89.6	Confident	80.6	Confident	6 Å²	6	77 Å²	77	3%	0.031	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.5	174.9	-62.7	175.9	0	0	0	113.7	F69 I82 C84 R90 A93 L116 R118 L122	F69-L120 HydrophobicContact CE2-CD1 4.2Å; I82-L120 HydrophobicContact CD1-CD1 4.23Å; I82-L120 HydrophobicContact CD1-CD2 3.81Å; I82-L120 HydrophobicContact CD1-CG 3.73Å; I82-L120 HydrophobicContact CG1-CD2 4.01Å; I82-L120 HydrophobicContact CG1-CG 4.47Å; C84-L120 HydrophobicContact CB-CD2 4Å; R90-L120 PolarHBondContact NH1-O 3.39Å; A93-L120 HydrophobicContact CB-CD1 4.01Å; L116-L120 WeakPolarHBondContact O-CB 3.39Å; L116-L120 VanDerWaalsContact O-CG 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.1Å; L116-L120 PolarHBondContact O-N 2.79Å; R118-L120 PolarHBondContact O-N 3.01Å; L120-L122 HydrophobicContact CB-CD1 4.19Å; L120-L122 HydrophobicContact CB-CD2 3.72Å; L120-L122 HydrophobicContact CB-CG 3.7Å; L120-L122 HydrophobicContact CD1-CD1 4.31Å; L120-L122 PolarHBondContact O-N 3.4Å
121	N	89.1	Confident	79.7	Confident	110 Å²	110	75.6 Å²	75.6	59%	0.588	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	48.3	-175.5	-66.5	-31.5	0	0	0	112.9	W117 R118 D123	W117-N121 PolarHBondContact O-N 2.91Å; R118-N121 WeakPolarHBondContact O-CA 3.35Å; R118-N121 PolarHBondContact O-N 2.96Å; R118-N121 PolarHBondContact O-OD1 3Å; R118-N121 VanDerWaalsContact O-OD1 3.1Å; N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 2.93Å
122	L	88	Confident	78.2	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.1	-174	-56.8	-177.6	0	0	0	114.3	R90 A93 R94 L97 W117 L120 W129	R90-L122 HydrophobicContact CB-CD2 4.05Å; A93-L122 HydrophobicContact CB-CD1 4.44Å; R94-L122 HydrophobicContact CB-CD1 4.26Å; R94-L122 HydrophobicContact CB-CD2 4.47Å; R94-L122 PolarHBondContact NH1-O 2.96Å; L97-L122 HydrophobicContact CD1-CD1 3.63Å; W117-L122 HydrophobicContact CD2-CB 3.87Å; W117-L122 HydrophobicContact CD2-CD1 4.27Å; W117-L122 HydrophobicContact CE3-CB 4.32Å; W117-L122 HydrophobicContact CE3-CD1 4.06Å; W117-L122 HydrophobicContact CG-CB 4.15Å; W117-L122 HydrophobicContact CZ2-CB 4.26Å; W117-L122 PolarHBondContact O-N 2.83Å; L120-L122 HydrophobicContact CB-CD1 4.19Å; L120-L122 HydrophobicContact CB-CD2 3.72Å; L120-L122 HydrophobicContact CB-CG 3.7Å; L120-L122 HydrophobicContact CD1-CD1 4.31Å; L120-L122 PolarHBondContact O-N 3.4Å; L122-W129 HydrophobicContact CD2-CH2 4.21Å; L122-W129 HydrophobicContact CD2-CZ3 4.11Å
123	D	83.5	Confident	76.3	Confident	113 Å²	113	75 Å²	75	60%	0.604	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-40.4	178.5	-69	-46.2	0	0	0	112	W117 N121 A125	W117-D123 PolarHBondContact NE1-OD1 2.83Å; N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 2.93Å; D123-A125 PolarHBondContact O-N 3.3Å; D123-A125 VanDerWaalsContact O-N 3.13Å
124	E	73.3	Confident	74	Confident	151 Å²	151	82 Å²	82	71%	0.706	40%	0.396	S	S	*	.	S	Bend	trans	-82.5	90.1	178.5	-66.8	-178	-177.3	0	0	110.2	K126 W129	E124-K126 PolarHBondContact O-N 2.87Å; E124-W129 WeakPolarHBondContact O-CH2 3.48Å; E124-W129 WeakPolarHBondContact O-CZ2 3.11Å; E124-W129 WeakPolarHBondContact O-CZ3 3.4Å
125	A	64.2	Low	71.3	Confident	65 Å²	65	85.4 Å²	85.4	54%	0.537	42%	0.42	S	S	.	.			trans	-62.4	105.5	171.2	0	0	0	0	0	109.2	R94 D123	R94-A125 VanDerWaalsContact NH1-CB 3.32Å; D123-A125 PolarHBondContact O-N 3.3Å; D123-A125 VanDerWaalsContact O-N 3.13Å
126	K	66.1	Low	68.4	Low	105 Å²	105	87.3 Å²	87.3	46%	0.457	44%	0.44	S	S	.	.			trans	-81	145.3	165.7	-56.3	-171.6	-175.8	178.2	0	109.7	E87 E124 D128 W129	E87-K126 IonicContact OE1-NZ 2.83Å; E87-K126 PolarHBondContact OE1-NZ 2.05Å; E124-K126 PolarHBondContact O-N 2.87Å; K126-D128 WeakPolarHBondContact CB-OD1 3.17Å; K126-D128 PolarHBondContact O-N 2.99Å; K126-W129 HydrophobicContact CB-CD2 4.39Å; K126-W129 HydrophobicContact CB-CG 4.3Å; K126-W129 HydrophobicContact CG-CZ2 4.15Å; K126-W129 PolarHBondContact O-N 2.73Å
127	R	57.2	Low	65.7	Low	254 Å²	254	92.5 Å²	92.5	96%	0.958	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.7	-176.3	-70.9	-173.7	-164.8	176.9	4.9	113.5
128	D	55.8	Low	62.6	Low	85 Å²	85	101.1 Å²	101.1	46%	0.455	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	0.2	-178.1	47.9	9.1	0	0	0	113.6	K126 E130	K126-D128 WeakPolarHBondContact CB-OD1 3.17Å; K126-D128 PolarHBondContact O-N 2.99Å; D128-E130 PolarHBondContact O-N 3.5Å
129	W	61.4	Low	59.6	Low	33 Å²	33	103.3 Å²	103.3	13%	0.125	52%	0.516	C	S	.	.			trans	-74.7	73.7	173.2	-69.3	5.9	0	0	0	110.9	R90 L122 E124 K126 C131	R90-W129 HydrophobicContact CB-CD2 4.21Å; R90-W129 HydrophobicContact CB-CE3 4.48Å; R90-W129 HydrophobicContact CB-CH2 4.5Å; R90-W129 HydrophobicContact CB-CZ2 4.21Å; L122-W129 HydrophobicContact CD2-CH2 4.21Å; L122-W129 HydrophobicContact CD2-CZ3 4.11Å; E124-W129 WeakPolarHBondContact O-CH2 3.48Å; E124-W129 WeakPolarHBondContact O-CZ2 3.11Å; E124-W129 WeakPolarHBondContact O-CZ3 3.4Å; K126-W129 HydrophobicContact CB-CD2 4.39Å; K126-W129 HydrophobicContact CB-CG 4.3Å; K126-W129 HydrophobicContact CG-CZ2 4.15Å; K126-W129 PolarHBondContact O-N 2.73Å; W129-C131 PolarHBondContact O-N 2.92Å
130	E	62.5	Low	56.6	Low	135 Å²	135	111.2 Å²	111.2	63%	0.631	54%	0.537	S	S	*	.			trans	-84.3	109.3	172.7	-68.1	-176.4	168.8	0	0	109.1	D128 D132	D128-E130 PolarHBondContact O-N 3.5Å; E130-D132 VanDerWaalsContact C-N 3.3Å; E130-D132 PolarHBondContact O-N 2.76Å
131	C	67.3	Low	53.7	Low	22 Å²	22	116.4 Å²	116.4	15%	0.149	57%	0.571	C	S	.	*			trans	-85.8	82	163.3	-174.9	0	0	0	0	108	C92 I95 W129 T133	C92-C131 WeakPolarHBondContact CA-SG 3.41Å; C92-C131 HydrophobicContact CB-CB 3.99Å; C92-C131 WeakPolarHBondContact CB-SG 3.45Å; C92-C131 VanDerWaalsContact SG-CA 3.53Å; C92-C131 WeakPolarHBondContact SG-CB 3.43Å; C92-C131 CovalentContact SG-SG 2.04Å; C92-C131 PolarHBondContact SG-SG 3.24Å; I95-C131 HydrophobicContact CD1-CB 3.63Å; W129-C131 PolarHBondContact O-N 2.92Å; C131-T133 PolarHBondContact O-N 2.89Å; C131-T133 VanDerWaalsContact SG-CG2 3.57Å
132	D	55.4	Low	50.8	Low	101 Å²	101	115.9 Å²	115.9	54%	0.54	58%	0.576	S	S	.	*			trans	-74.6	61.3	179.1	-129.3	12.8	0	0	0	110.1	E130	E130-D132 VanDerWaalsContact C-N 3.3Å; E130-D132 PolarHBondContact O-N 2.76Å
133	T	49.5	Very low	47.9	Very low	62 Å²	62	122.3 Å²	122.3	38%	0.38	62%	0.615	S	S	.	*			trans	-77.1	-13.8	165.1	47.3	0	0	0	0	111.2	C131 V135	C131-T133 PolarHBondContact O-N 2.89Å; C131-T133 VanDerWaalsContact SG-CG2 3.57Å; T133-V135 PolarHBondContact O-N 3.3Å
134	F	39.6	Very low	45.2	Very low	148 Å²	148	121.1 Å²	121.1	65%	0.649	62%	0.615	S	S	*	*			trans	-88.8	102.2	173.2	-69.9	-86.1	0	0	0	108.1	S136	F134-S136 PolarHBondContact O-N 2.9Å
135	V	35	Very low	43	Very low	120 Å²	120	121.6 Å²	121.6	73%	0.727	62%	0.617	S	S	*	*			trans	-55.5	89	142	179.6	0	0	0	0	105.2	T133 E137	T133-V135 PolarHBondContact O-N 3.3Å; V135-E137 HydrophobicContact CG1-CB 4.49Å; V135-E137 HydrophobicContact CG1-CG 3.89Å; V135-E137 PolarHBondContact O-N 2.71Å
136	S	31.2	Very low	41.5	Very low	93 Å²	93	123 Å²	123	65%	0.65	63%	0.628	S	S	*	*			trans	-73.6	70.3	174.2	55.5	0	0	0	0	106.9	F134 K138	F134-S136 PolarHBondContact O-N 2.9Å; S136-K138 PolarHBondContact O-N 2.88Å
137	E	35.7	Very low	39.7	Very low	109 Å²	109	127.1 Å²	127.1	51%	0.509	64%	0.641	S	S	.	*			trans	-59.1	112.3	171.8	-104	169.1	-156.7	0	0	107.9	V135 K139 T213	V135-E137 HydrophobicContact CG1-CB 4.49Å; V135-E137 HydrophobicContact CG1-CG 3.89Å; V135-E137 PolarHBondContact O-N 2.71Å; E137-K139 PolarHBondContact O-N 3.41Å; E137-T213 WeakPolarHBondContact OE1-CG2 3.35Å
138	K	29.4	Very low	38.7	Very low	197 Å²	197	120.3 Å²	120.3	86%	0.857	62%	0.623	S	S	*	*			trans	-44.1	107.7	174.1	-72.8	173.1	175.9	170.7	0	108.8	S136 R140	S136-K138 PolarHBondContact O-N 2.88Å; K138-R140 VanDerWaalsContact C-N 3.29Å; K138-R140 PolarHBondContact O-N 2.73Å
139	K	28.9	Very low	38.1	Very low	203 Å²	203	124.2 Å²	124.2	88%	0.883	64%	0.638	S	S	*	*			trans	-54.7	92.7	165.8	-72.5	-178	177.4	-179.9	0	108.5	E137 P141	E137-K139 PolarHBondContact O-N 3.41Å; K139-P141 WeakPolarHBondContact O-CD 3.49Å
140	R	26.3	Very low	37.7	Very low	223 Å²	223	126.3 Å²	126.3	84%	0.842	65%	0.651	S	S	*	*			trans	-92.3	105.2	154.6	-81.1	-170.8	175.2	179.7	-0	105.7	K138 S142	K138-R140 VanDerWaalsContact C-N 3.29Å; K138-R140 PolarHBondContact O-N 2.73Å; R140-S142 VanDerWaalsContact C-N 3.35Å; R140-S142 PolarHBondContact O-N 2.76Å
141	P	27.5	Very low	36.8	Very low	115 Å²	115	127.4 Å²	127.4	75%	0.747	65%	0.654	S	S	*	*			trans	-67.5	98.5	173.4	27.4	-30.6	0	0	0	107.7	K139 V143	K139-P141 WeakPolarHBondContact O-CD 3.49Å; P141-V143 PolarHBondContact O-N 2.84Å
142	S	29.6	Very low	36.4	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	67%	0.674	S	S	*	*			trans	-73.7	104	161.7	43.1	0	0	0	0	107.1	R140 C144	R140-S142 VanDerWaalsContact C-N 3.35Å; R140-S142 PolarHBondContact O-N 2.76Å; S142-C144 PolarHBondContact O-N 2.71Å
143	V	26	Very low	36	Very low	134 Å²	134	132.8 Å²	132.8	81%	0.812	68%	0.677	S	S	*	*			trans	-69.4	96.8	167.2	179.9	0	0	0	0	106.5	P141 E145	P141-V143 PolarHBondContact O-N 2.84Å; V143-E145 PolarHBondContact O-N 3.22Å
144	C	27.8	Very low	35.8	Very low	88 Å²	88	133 Å²	133	60%	0.595	68%	0.676	S	S	*	*			trans	-83.1	111.2	173.4	-68.8	0	0	0	0	108.9	S142 A146	S142-C144 PolarHBondContact O-N 2.71Å; C144-A146 PolarHBondContact O-N 2.94Å; C144-A146 VanDerWaalsContact O-N 3.11Å
145	E	27	Very low	36.3	Very low	162 Å²	162	128.6 Å²	128.6	76%	0.757	66%	0.66	S	S	*	*			trans	-70.8	99.4	166.1	-74.8	-172.8	165.2	0	0	108.9	V143 R147	V143-E145 PolarHBondContact O-N 3.22Å; E145-R147 PolarHBondContact O-N 3.11Å
146	A	32.2	Very low	37	Very low	93 Å²	93	130.3 Å²	130.3	77%	0.769	65%	0.654	S	S	*	*			trans	-67.4	95.6	175.6	0	0	0	0	0	110.6	C144 I148	C144-A146 PolarHBondContact O-N 2.94Å; C144-A146 VanDerWaalsContact O-N 3.11Å; A146-I148 PolarHBondContact O-N 2.82Å
147	R	29.4	Very low	37.7	Very low	192 Å²	192	130.2 Å²	130.2	73%	0.725	64%	0.642	S	S	*	*			trans	-82.9	98.2	164.3	-75.6	-173.5	180	-179.1	1	109	E145 H149	E145-R147 PolarHBondContact O-N 3.11Å; R147-H149 PolarHBondContact O-N 3.49Å
148	I	36.3	Very low	38.2	Very low	112 Å²	112	129.8 Å²	129.8	57%	0.574	64%	0.642	S	S	*	*			trans	-65.5	101	169.5	-57.7	172.2	0	0	0	107.2	A146 D150	A146-I148 PolarHBondContact O-N 2.82Å; I148-D150 PolarHBondContact O-N 3.28Å
149	H	43.1	Very low	39	Very low	167 Å²	167	129 Å²	129	77%	0.773	63%	0.634	S	S	*	*	S	Bend	trans	-76	-20.2	-172.8	-95.5	-64.5	0	0	0	114.4	R147	R147-H149 PolarHBondContact O-N 3.49Å
150	D	51.3	Low	39.7	Very low	76 Å²	76	120.9 Å²	120.9	41%	0.406	61%	0.608	S	S	.	*			trans	-155.2	103.5	174.3	-167.7	-9.8	0	0	0	112.4	I148 D152 E153	I148-D150 PolarHBondContact O-N 3.28Å; D150-D152 PolarHBondContact O-N 3.37Å; D150-D152 WeakPolarHBondContact OD1-CB 3.38Å; D150-D152 PolarHBondContact OD1-N 3.12Å; D150-E153 HydrophobicContact CB-CB 4.34Å; D150-E153 PolarHBondContact O-N 2.91Å
151	K	43.8	Very low	40.2	Very low	159 Å²	159	115.3 Å²	115.3	69%	0.691	60%	0.595	S	S	*	*	H	α-helix	trans	-64.4	-27	178.1	-167.5	177.7	179.8	-179.6	0	112.1	V155	K151-V155 WeakPolarHBondContact O-CG2 3.41Å; K151-V155 PolarHBondContact O-N 2.96Å
152	D	59	Low	40.6	Very low	107 Å²	107	114.1 Å²	114.1	57%	0.572	59%	0.589	S	S	*	*	H	α-helix	trans	-77.3	-25.1	-176.3	-69.8	-27.1	0	0	0	112.4	D150 R156	D150-D152 PolarHBondContact O-N 3.37Å; D150-D152 WeakPolarHBondContact OD1-CB 3.38Å; D150-D152 PolarHBondContact OD1-N 3.12Å; D152-R156 WeakPolarHBondContact O-CB 3.38Å; D152-R156 PolarHBondContact O-N 3.43Å; D152-R156 PolarHBondContact O-NE 3.21Å
153	E	48.6	Very low	40.6	Very low	128 Å²	128	116.1 Å²	116.1	60%	0.598	59%	0.585	S	S	*	*	H	α-helix	trans	-70.7	-42.9	174.4	-153.1	176.7	-159.6	0	0	111.2	D150 V155 R156 F157	D150-E153 HydrophobicContact CB-CB 4.34Å; D150-E153 PolarHBondContact O-N 2.91Å; E153-V155 PolarHBondContact O-N 2.85Å; E153-R156 PolarHBondContact O-N 2.93Å; E153-F157 PolarHBondContact O-N 3.35Å
154	L	44.3	Very low	41	Very low	67 Å²	67	115.4 Å²	115.4	35%	0.351	58%	0.583	S	S	.	*	H	α-helix	trans	-61.9	-44	174.8	-177.1	65.7	0	0	0	111.8	R156 F157 I158	L154-R156 PolarHBondContact O-N 2.79Å; L154-F157 PolarHBondContact O-N 3.36Å; L154-I158 HydrophobicContact CG-CD1 4.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.1Å; L154-I158 PolarHBondContact O-N 3.2Å
155	V	49.1	Very low	41.4	Very low	55 Å²	55	120.7 Å²	120.7	33%	0.333	60%	0.596	S	S	.	*	H	α-helix	trans	-65	-39.8	177.5	173.1	0	0	0	0	111.3	K151 E153 F157 R159	K151-V155 WeakPolarHBondContact O-CG2 3.41Å; K151-V155 PolarHBondContact O-N 2.96Å; E153-V155 PolarHBondContact O-N 2.85Å; V155-F157 VanDerWaalsContact C-N 3.34Å; V155-R159 WeakPolarHBondContact O-CG 3.42Å; V155-R159 PolarHBondContact O-N 3.23Å; V155-R159 VanDerWaalsContact O-N 3.09Å
156	R	51.1	Low	41.7	Very low	157 Å²	157	120 Å²	120	59%	0.592	59%	0.588	S	S	*	*	H	α-helix	trans	-61.9	-41.5	174.2	-95.4	-179.3	-76.5	160.3	-5.1	112.2	D152 E153 L154 R159 G160	D152-R156 WeakPolarHBondContact O-CB 3.38Å; D152-R156 PolarHBondContact O-N 3.43Å; D152-R156 PolarHBondContact O-NE 3.21Å; E153-R156 PolarHBondContact O-N 2.93Å; L154-R156 PolarHBondContact O-N 2.79Å; R156-R159 PolarHBondContact O-N 2.99Å; R156-G160 PolarHBondContact O-N 2.96Å
157	F	46	Very low	41.7	Very low	91 Å²	91	123.6 Å²	123.6	40%	0.399	59%	0.586	S	S	.	*	H	α-helix	trans	-62.4	-48.8	178	177.1	-102	0	0	0	112.1	E153 L154 V155 R159 G160 L161 I452	E153-F157 PolarHBondContact O-N 3.35Å; L154-F157 PolarHBondContact O-N 3.36Å; V155-F157 VanDerWaalsContact C-N 3.34Å; F157-R159 VanDerWaalsContact C-N 3.31Å; F157-R159 PolarHBondContact O-N 3.3Å; F157-G160 WeakPolarHBondContact O-CA 3.43Å; F157-G160 PolarHBondContact O-N 3.47Å; F157-L161 HydrophobicContact CD1-CD1 4.46Å; F157-L161 HydrophobicContact CE1-CD1 3.88Å; F157-L161 HydrophobicContact CZ-CD1 4.19Å; F157-L161 PolarHBondContact O-N 3.34Å; F157-I452 HydrophobicContact CE2-CD1 4.07Å; F157-I452 HydrophobicContact CZ-CD1 3.75Å
158	I	46.5	Very low	41.8	Very low	100 Å²	100	120.9 Å²	120.9	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-60.9	-39.8	177.9	-65.7	171.5	0	0	0	111.4	L154 G160 L161 S162	L154-I158 HydrophobicContact CG-CD1 4.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.1Å; L154-I158 PolarHBondContact O-N 3.2Å; I158-G160 VanDerWaalsContact C-N 3.25Å; I158-G160 PolarHBondContact O-N 3.2Å; I158-L161 PolarHBondContact O-N 3.21Å; I158-S162 PolarHBondContact O-OG 3.17Å; I158-S162 VanDerWaalsContact O-OG 3.13Å
159	R	45.2	Very low	41.6	Very low	179 Å²	179	119.2 Å²	119.2	68%	0.675	59%	0.588	S	S	*	*	H	α-helix	trans	-67.4	-23.7	173.6	-73.7	-179.2	179.6	172.6	1.4	113.4	V155 R156 F157 S162	V155-R159 WeakPolarHBondContact O-CG 3.42Å; V155-R159 PolarHBondContact O-N 3.23Å; V155-R159 VanDerWaalsContact O-N 3.09Å; R156-R159 PolarHBondContact O-N 2.99Å; F157-R159 VanDerWaalsContact C-N 3.31Å; F157-R159 PolarHBondContact O-N 3.3Å; R159-S162 WeakPolarHBondContact CA-OG 3.5Å; R159-S162 PolarHBondContact O-OG 2.93Å
160	G	43.5	Very low	41.3	Very low	34 Å²	34	113.5 Å²	113.5	35%	0.351	57%	0.566	S	S	.	*	H	α-helix	trans	-70.5	-40.3	175.5	0	0	0	0	0	112.8	R156 F157 I158 S162 K163	R156-G160 PolarHBondContact O-N 2.96Å; F157-G160 WeakPolarHBondContact O-CA 3.43Å; F157-G160 PolarHBondContact O-N 3.47Å; I158-G160 VanDerWaalsContact C-N 3.25Å; I158-G160 PolarHBondContact O-N 3.2Å; G160-S162 PolarHBondContact O-N 3.43Å; G160-K163 PolarHBondContact O-N 3.43Å
161	L	37.1	Very low	40.9	Very low	106 Å²	106	118.2 Å²	118.2	56%	0.555	58%	0.583	S	S	*	*	H	α-helix	trans	-66.6	-24.3	179.5	-66.3	174.2	0	0	0	113.3	F157 I158 K163	F157-L161 HydrophobicContact CD1-CD1 4.46Å; F157-L161 HydrophobicContact CE1-CD1 3.88Å; F157-L161 HydrophobicContact CZ-CD1 4.19Å; F157-L161 PolarHBondContact O-N 3.34Å; I158-L161 PolarHBondContact O-N 3.21Å; L161-K163 VanDerWaalsContact C-N 3.32Å
162	S	34.7	Very low	41	Very low	90 Å²	90	117.3 Å²	117.3	63%	0.629	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	2.8	179.2	27.8	0	0	0	0	113.5	I158 R159 G160	I158-S162 PolarHBondContact O-OG 3.17Å; I158-S162 VanDerWaalsContact O-OG 3.13Å; R159-S162 WeakPolarHBondContact CA-OG 3.5Å; R159-S162 PolarHBondContact O-OG 2.93Å; G160-S162 PolarHBondContact O-N 3.43Å
163	K	29.6	Very low	40.2	Very low	142 Å²	142	115.9 Å²	115.9	62%	0.617	57%	0.571	S	S	*	*	S	Bend	trans	-75	137.8	176.3	-73.3	-173.6	178	-180	0	111.1	G160 L161 K165	G160-K163 PolarHBondContact O-N 3.43Å; L161-K163 VanDerWaalsContact C-N 3.32Å; K163-K165 PolarHBondContact O-N 3.03Å
164	P	35.1	Very low	39.7	Very low	119 Å²	119	116.6 Å²	116.6	77%	0.773	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	14.4	-167	-12.2	28.7	0	0	0	115.6	Y166	P164-Y166 PolarHBondContact O-N 3.01Å
165	K	36	Very low	39.7	Very low	199 Å²	199	117.2 Å²	117.2	87%	0.865	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-8.6	172.7	-93.3	-169.8	172.9	-172.3	0	112.7	K163	K163-K165 PolarHBondContact O-N 3.03Å
166	Y	33.9	Very low	39.6	Very low	147 Å²	147	121 Å²	121	58%	0.576	59%	0.59	S	S	*	*	S	Bend	trans	-100.8	90.1	169.3	-52.5	-75.7	0	0	0	107.8	P164 V168	P164-Y166 PolarHBondContact O-N 3.01Å; Y166-V168 PolarHBondContact O-N 2.99Å; Y166-V168 VanDerWaalsContact O-N 3.11Å
167	K	31.9	Very low	39.3	Very low	169 Å²	169	117.4 Å²	117.4	74%	0.735	58%	0.582	S	S	*	*			trans	-66.3	107.2	-175.5	-157.7	-174.1	-176.9	-156.2	0	108.9	C169	K167-C169 PolarHBondContact O-N 3.18Å
168	V	32.2	Very low	39	Very low	135 Å²	135	116.1 Å²	116.1	82%	0.818	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-70.3	123.1	169.2	-179.6	0	0	0	0	107.2	Y166	Y166-V168 PolarHBondContact O-N 2.99Å; Y166-V168 VanDerWaalsContact O-N 3.11Å
169	C	30.8	Very low	39	Very low	76 Å²	76	118.7 Å²	118.7	51%	0.514	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-53.5	140.1	179.9	-61.5	0	0	0	0	111.2	K167 E173	K167-C169 PolarHBondContact O-N 3.18Å; C169-E173 WeakPolarHBondContact CA-OE2 3.48Å; C169-E173 HydrophobicContact CB-CB 4.32Å
170	S	38.1	Very low	38.9	Very low	47 Å²	47	117 Å²	117	33%	0.329	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-69.3	158.8	171.7	90.6	0	0	0	0	110.4	E172 E173 Y174	S170-E172 WeakPolarHBondContact CB-OE2 3.5Å; S170-E172 PolarHBondContact O-N 3.5Å; S170-E172 PolarHBondContact OG-N 3.06Å; S170-E172 PolarHBondContact OG-OE2 3.2Å; S170-E173 PolarHBondContact N-OE2 3.21Å; S170-E173 PolarHBondContact O-N 2.99Å; S170-E173 VanDerWaalsContact O-N 3.17Å; S170-E173 PolarHBondContact OG-N 3.09Å; S170-Y174 PolarHBondContact O-N 3.12Å
171	K	41.5	Very low	38.5	Very low	176 Å²	176	120.1 Å²	120.1	77%	0.765	59%	0.592	S	S	*	*	H	α-helix	trans	-60.5	-30.4	179	-163.7	178.2	-179.3	-178.1	0	111.7	T175	K171-T175 PolarHBondContact O-N 3.49Å; K171-T175 PolarHBondContact O-OG1 3.29Å
172	E	46.1	Very low	38.4	Very low	139 Å²	139	123.3 Å²	123.3	65%	0.65	60%	0.601	S	S	*	*	H	α-helix	trans	-69.1	-47.3	173.9	-58.5	84.1	-163.8	0	0	111.9	S170 Y174 T175 E176	S170-E172 WeakPolarHBondContact CB-OE2 3.5Å; S170-E172 PolarHBondContact O-N 3.5Å; S170-E172 PolarHBondContact OG-N 3.06Å; S170-E172 PolarHBondContact OG-OE2 3.2Å; E172-Y174 VanDerWaalsContact C-N 3.27Å; E172-Y174 PolarHBondContact O-N 3.11Å; E172-T175 WeakPolarHBondContact O-CB 3.45Å; E172-T175 PolarHBondContact O-N 2.8Å; E172-E176 PolarHBondContact O-N 3.24Å
173	E	42.1	Very low	38.3	Very low	77 Å²	77	126.4 Å²	126.4	36%	0.36	61%	0.606	S	S	.	*	H	α-helix	trans	-57.7	-41.2	176.8	-71.6	173.5	152.6	0	0	111.1	C169 S170 T175 E176 I177	C169-E173 WeakPolarHBondContact CA-OE2 3.48Å; C169-E173 HydrophobicContact CB-CB 4.32Å; S170-E173 PolarHBondContact N-OE2 3.21Å; S170-E173 PolarHBondContact O-N 2.99Å; S170-E173 VanDerWaalsContact O-N 3.17Å; S170-E173 PolarHBondContact OG-N 3.09Å; E173-T175 VanDerWaalsContact C-N 3.31Å; E173-T175 PolarHBondContact O-N 3.35Å; E173-E176 PolarHBondContact O-N 2.91Å; E173-I177 VanDerWaalsContact O-CG1 3.32Å; E173-I177 WeakPolarHBondContact O-CG1 3.39Å; E173-I177 PolarHBondContact O-N 3.25Å
174	Y	39.6	Very low	38.2	Very low	144 Å²	144	127.8 Å²	127.8	57%	0.565	61%	0.608	S	S	*	*	H	α-helix	trans	-61	-37.3	176	-174.9	-108.3	0	0	0	113	S170 E172 I177 I178	S170-Y174 PolarHBondContact O-N 3.12Å; E172-Y174 VanDerWaalsContact C-N 3.27Å; E172-Y174 PolarHBondContact O-N 3.11Å; Y174-I177 PolarHBondContact O-N 3.09Å; Y174-I178 HydrophobicContact CD1-CD1 3.65Å; Y174-I178 HydrophobicContact CE1-CD1 3.22Å; Y174-I178 HydrophobicContact CE1-CG1 4.25Å; Y174-I178 HydrophobicContact CE2-CD1 4.4Å; Y174-I178 HydrophobicContact CG-CD1 4.41Å; Y174-I178 WeakPolarHBondContact O-CG1 3.5Å; Y174-I178 PolarHBondContact O-N 2.78Å
175	T	44.2	Very low	37.8	Very low	80 Å²	80	128.1 Å²	128.1	49%	0.491	61%	0.61	S	S	.	*	H	α-helix	trans	-71.3	-34	-179.2	-46.4	0	0	0	0	111.5	K171 E172 E173 K179	K171-T175 PolarHBondContact O-N 3.49Å; K171-T175 PolarHBondContact O-OG1 3.29Å; E172-T175 WeakPolarHBondContact O-CB 3.45Å; E172-T175 PolarHBondContact O-N 2.8Å; E173-T175 VanDerWaalsContact C-N 3.31Å; E173-T175 PolarHBondContact O-N 3.35Å; T175-K179 PolarHBondContact O-N 3Å; T175-K179 VanDerWaalsContact O-N 3.14Å
176	E	46.6	Very low	37.4	Very low	134 Å²	134	124 Å²	124	63%	0.626	60%	0.597	S	S	*	*	H	α-helix	trans	-70.4	-41.8	176	-132.2	-178.3	-170.5	0	0	112	E172 E173 K179 K180	E172-E176 PolarHBondContact O-N 3.24Å; E173-E176 PolarHBondContact O-N 2.91Å; E176-K179 WeakPolarHBondContact O-CB 3.37Å; E176-K179 PolarHBondContact O-N 3.33Å; E176-K180 PolarHBondContact O-N 2.9Å; E176-K180 VanDerWaalsContact O-N 3.15Å
177	I	43.5	Very low	37.1	Very low	82 Å²	82	124 Å²	124	42%	0.421	61%	0.606	S	S	.	*	H	α-helix	trans	-60	-45.8	173.3	-67.1	165.7	0	0	0	110.2	E173 Y174 K179 K180 L181	E173-I177 VanDerWaalsContact O-CG1 3.32Å; E173-I177 WeakPolarHBondContact O-CG1 3.39Å; E173-I177 PolarHBondContact O-N 3.25Å; Y174-I177 PolarHBondContact O-N 3.09Å; I177-K179 VanDerWaalsContact C-N 3.27Å; I177-K179 PolarHBondContact O-N 3.42Å; I177-K180 PolarHBondContact O-N 2.94Å; I177-L181 HydrophobicContact CG2-CD1 3.78Å; I177-L181 HydrophobicContact CG2-CG 4.24Å; I177-L181 VanDerWaalsContact O-CG 3.3Å; I177-L181 WeakPolarHBondContact O-CG 3.38Å; I177-L181 PolarHBondContact O-N 3.36Å
178	I	40.6	Very low	37	Very low	63 Å²	63	119.6 Å²	119.6	32%	0.323	60%	0.596	S	S	.	*	H	α-helix	trans	-58.9	-37.9	175.7	-74.6	173	0	0	0	112.2	Y174 L181 K182	Y174-I178 HydrophobicContact CD1-CD1 3.65Å; Y174-I178 HydrophobicContact CE1-CD1 3.22Å; Y174-I178 HydrophobicContact CE1-CG1 4.25Å; Y174-I178 HydrophobicContact CE2-CD1 4.4Å; Y174-I178 HydrophobicContact CG-CD1 4.41Å; Y174-I178 WeakPolarHBondContact O-CG1 3.5Å; Y174-I178 PolarHBondContact O-N 2.78Å; I178-L181 PolarHBondContact O-N 2.92Å; I178-K182 PolarHBondContact O-N 3.19Å
179	K	45.8	Very low	37.1	Very low	155 Å²	155	118.4 Å²	118.4	67%	0.674	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-45.5	177.1	-100.9	-176.5	176.2	-177.9	0	111.4	T175 E176 I177 K182	T175-K179 PolarHBondContact O-N 3Å; T175-K179 VanDerWaalsContact O-N 3.14Å; E176-K179 WeakPolarHBondContact O-CB 3.37Å; E176-K179 PolarHBondContact O-N 3.33Å; I177-K179 VanDerWaalsContact C-N 3.27Å; I177-K179 PolarHBondContact O-N 3.42Å; K179-K182 PolarHBondContact O-N 3.29Å
180	K	43.4	Very low	37.1	Very low	144 Å²	144	122.3 Å²	122.3	63%	0.626	59%	0.591	S	S	*	*	H	α-helix	trans	-66	-36	177.3	-71.7	-174.4	175.8	-177.5	0	112.7	E176 I177 K182 E183	E176-K180 PolarHBondContact O-N 2.9Å; E176-K180 VanDerWaalsContact O-N 3.15Å; I177-K180 PolarHBondContact O-N 2.94Å; K180-K182 PolarHBondContact O-N 3.12Å; K180-E183 PolarHBondContact O-N 3.26Å
181	L	36	Very low	36.8	Very low	98 Å²	98	122.1 Å²	122.1	51%	0.513	60%	0.597	S	S	.	*	H	α-helix	trans	-66.2	-20.5	179.1	-72.9	170.1	0	0	0	113.8	I177 I178 E183	I177-L181 HydrophobicContact CG2-CD1 3.78Å; I177-L181 HydrophobicContact CG2-CG 4.24Å; I177-L181 VanDerWaalsContact O-CG 3.3Å; I177-L181 WeakPolarHBondContact O-CG 3.38Å; I177-L181 PolarHBondContact O-N 3.36Å; I178-L181 PolarHBondContact O-N 2.92Å; L181-E183 VanDerWaalsContact C-N 3.25Å; L181-E183 PolarHBondContact O-N 2.87Å
182	K	33.9	Very low	36.7	Very low	174 Å²	174	121.6 Å²	121.6	76%	0.757	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-13.9	176.3	-73.8	-176.8	-179.6	-177.3	0	114.1	I178 K179 K180	I178-K182 PolarHBondContact O-N 3.19Å; K179-K182 PolarHBondContact O-N 3.29Å; K180-K182 PolarHBondContact O-N 3.12Å
183	E	34.1	Very low	36.5	Very low	154 Å²	154	120.1 Å²	120.1	72%	0.72	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-8.9	-176.7	-71.2	179.6	163.6	0	0	113.6	K180 L181 P185	K180-E183 PolarHBondContact O-N 3.26Å; L181-E183 VanDerWaalsContact C-N 3.25Å; L181-E183 PolarHBondContact O-N 2.87Å; E183-P185 WeakPolarHBondContact O-CD 3.26Å
184	Y	27.2	Very low	37.4	Very low	171 Å²	171	118 Å²	118	67%	0.671	59%	0.593	S	S	*	*			trans	-103.8	114.7	-179.7	-65	-83.7	0	0	0	111.2	L186	Y184-L186 PolarHBondContact O-N 2.89Å
185	P	25.5	Very low	38.5	Very low	126 Å²	126	112.7 Å²	112.7	82%	0.818	58%	0.581	S	S	*	*			trans	-75.3	81.6	170.1	30.8	-30.8	0	0	0	108.8	E183 I187	E183-P185 WeakPolarHBondContact O-CD 3.26Å; P185-I187 PolarHBondContact O-N 2.97Å
186	L	28.6	Very low	39.8	Very low	112 Å²	112	113.4 Å²	113.4	59%	0.586	58%	0.578	S	S	*	*			trans	-57.3	133	160.2	-90.5	142.8	0	0	0	108	Y184 S188	Y184-L186 PolarHBondContact O-N 2.89Å; L186-S188 PolarHBondContact O-N 2.94Å
187	I	28.2	Very low	40.8	Very low	149 Å²	149	108.5 Å²	108.5	76%	0.764	55%	0.554	S	S	*	*			trans	-61.1	86.8	167.2	-59.9	173.7	0	0	0	106.3	P185 M189	P185-I187 PolarHBondContact O-N 2.97Å; I187-M189 PolarHBondContact O-N 3.03Å
188	S	29.6	Very low	42.1	Very low	76 Å²	76	104.7 Å²	104.7	53%	0.531	54%	0.535	S	S	.	.			trans	-64.5	104.2	175.9	145.5	0	0	0	0	106.1	L186 K190	L186-S188 PolarHBondContact O-N 2.94Å; S188-K190 PolarHBondContact O-N 2.91Å; S188-K190 WeakPolarHBondContact OG-CB 3.26Å; S188-K190 WeakPolarHBondContact OG-CG 3.4Å; S188-K190 PolarHBondContact OG-N 3.17Å
189	M	33.1	Very low	43.6	Very low	110 Å²	110	104.2 Å²	104.2	54%	0.542	54%	0.536	S	S	.	.			trans	-64.1	19.4	163.3	-61.7	-166.8	82.1	0	0	112.1	I187 G191 S194	I187-M189 PolarHBondContact O-N 3.03Å; M189-G191 PolarHBondContact O-N 3.44Å; M189-S194 WeakPolarHBondContact CE-OG 3.37Å
190	K	30.9	Very low	44.8	Very low	157 Å²	157	97.8 Å²	97.8	68%	0.683	51%	0.509	S	S	*	.			trans	-75.4	15.3	169.6	-62.9	-178.4	164.5	170.6	0	114.1	S188	S188-K190 PolarHBondContact O-N 2.91Å; S188-K190 WeakPolarHBondContact OG-CB 3.26Å; S188-K190 WeakPolarHBondContact OG-CG 3.4Å; S188-K190 PolarHBondContact OG-N 3.17Å
191	G	32.5	Very low	45.9	Very low	43 Å²	43	93.6 Å²	93.6	44%	0.443	49%	0.491	S	S	.	.	S	Bend	trans	-88.6	129	154.8	0	0	0	0	0	107.6	M189 D193	M189-G191 PolarHBondContact O-N 3.44Å; G191-D193 PolarHBondContact O-N 2.95Å
192	N	40.3	Very low	47.4	Very low	166 Å²	166	91.4 Å²	91.4	89%	0.888	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	1.9	175.7	-102.1	-11.3	0	0	0	114.3
193	D	41.9	Very low	48.8	Very low	107 Å²	107	84 Å²	84	57%	0.572	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.8	4.2	-155.5	-61.9	-38.9	0	0	0	115.9	G191 G195 E229	G191-D193 PolarHBondContact O-N 2.95Å; D193-G195 VanDerWaalsContact C-N 3.33Å; D193-G195 PolarHBondContact O-N 3.3Å; D193-E229 WeakPolarHBondContact O-CG 3.5Å; D193-E229 VanDerWaalsContact O-OE1 3.06Å
194	S	59.6	Low	50.2	Low	33 Å²	33	82.1 Å²	82.1	23%	0.231	44%	0.442	C	S	.	.	S	Bend	trans	-77.7	-14.9	-179.1	63.8	0	0	0	0	115	M189 L228	M189-S194 WeakPolarHBondContact CE-OG 3.37Å; S194-L228 WeakPolarHBondContact O-CA 3.12Å; S194-L228 WeakPolarHBondContact O-CD2 3.5Å
195	G	63.4	Low	51.7	Low	32 Å²	32	77 Å²	77	33%	0.33	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.5	161.4	172.7	0	0	0	0	0	115.1	D193 V227	D193-G195 VanDerWaalsContact C-N 3.33Å; D193-G195 PolarHBondContact O-N 3.3Å; G195-V227 CarbonylContact C-O 3.53Å; G195-V227 WeakPolarHBondContact CA-O 3.5Å
196	K	71.4	Confident	53.2	Low	96 Å²	96	71.7 Å²	71.7	42%	0.417	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122	-179.2	-173.8	159.4	-178.9	174.6	0	111.7	A103 V227	A103-K196 WeakPolarHBondContact O-CD 2.82Å; A103-K196 WeakPolarHBondContact O-CE 3.06Å; A103-K196 PolarHBondContact O-NZ 3.34Å; K196-V227 PolarHBondContact N-O 2.8Å; K196-V227 PolarHBondContact O-N 3.02Å
197	F	68.3	Low	54.9	Low	30 Å²	30	70.7 Å²	70.7	13%	0.132	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.5	173.5	-176.7	-112	0	0	0	111.5	P199 C222 L225 L226 V239 K241	F197-P199 HydrophobicContact CD1-CB 4.48Å; F197-P199 HydrophobicContact CE1-CB 3.88Å; F197-C222 HydrophobicContact CE1-CB 4.14Å; F197-C222 HydrophobicContact CZ-CB 4.3Å; F197-C222 WeakPolarHBondContact CZ-O 3.42Å; F197-L225 CarbonylContact C-O 3.02Å; F197-L225 WeakPolarHBondContact CA-O 3.46Å; F197-L226 HydrophobicContact CB-CD1 4.42Å; F197-V239 HydrophobicContact CE2-CB 4.23Å; F197-V239 WeakPolarHBondContact CE2-O 3.49Å; F197-K241 HydrophobicContact CB-CD 4.25Å; F197-K241 HydrophobicContact CD1-CD 3.87Å; F197-K241 HydrophobicContact CD1-CG 4.48Å; F197-K241 HydrophobicContact CD2-CD 3.93Å; F197-K241 HydrophobicContact CD2-CG 4.28Å; F197-K241 HydrophobicContact CE1-CB 4.13Å; F197-K241 HydrophobicContact CE1-CD 4.14Å; F197-K241 HydrophobicContact CE1-CG 4.27Å; F197-K241 HydrophobicContact CE2-CD 4.21Å; F197-K241 HydrophobicContact CE2-CG 4.07Å; F197-K241 HydrophobicContact CG-CD 3.74Å; F197-K241 HydrophobicContact CG-CG 4.47Å; F197-K241 HydrophobicContact CZ-CB 4.12Å; F197-K241 HydrophobicContact CZ-CD 4.31Å; F197-K241 HydrophobicContact CZ-CG 4.07Å
198	V	70.7	Confident	56.3	Low	2 Å²	2	65.9 Å²	65.9	1%	0.012	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	99.9	178.3	-172.2	0	0	0	0	108	K99 V100 A103 V104 L200 G224 L225 V227	K99-V198 HydrophobicContact CB-CG1 4.24Å; V100-V198 HydrophobicContact CG2-CG1 4.32Å; A103-V198 HydrophobicContact CB-CB 4.27Å; A103-V198 HydrophobicContact CB-CG1 3.93Å; A103-V198 HydrophobicContact CB-CG2 3.7Å; V104-V198 HydrophobicContact CG2-CG2 3.62Å; V198-L200 HydrophobicContact CG1-CD2 4.31Å; V198-L200 PolarHBondContact O-N 3.44Å; V198-G224 CarbonylContact O-C 3.54Å; V198-G224 WeakPolarHBondContact O-CA 3.12Å; V198-L225 HydrophobicContact CB-CB 4.33Å; V198-L225 PolarHBondContact N-O 2.67Å; V198-L225 PolarHBondContact O-N 3.28Å; V198-V227 HydrophobicContact CG2-CG2 4.19Å
199	P	71.8	Confident	57.5	Low	54 Å²	54	62.6 Å²	62.6	35%	0.351	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	118.7	179.3	26.9	-32.7	0	0	0	110.6	K99 F197 C222	K99-P199 WeakPolarHBondContact CD-O 3.31Å; K99-P199 PolarHBondContact NZ-O 2.81Å; F197-P199 HydrophobicContact CD1-CB 4.48Å; F197-P199 HydrophobicContact CE1-CB 3.88Å; P199-C222 HydrophobicContact CB-CB 4.14Å
200	L	69.6	Low	58.3	Low	19 Å²	19	60.4 Å²	60.4	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-49.2	178.8	-64.6	-173.8	0	0	0	111.6	L65 V96 K99 V198 D223 L225	L65-L200 HydrophobicContact CD1-CD1 3.79Å; L65-L200 HydrophobicContact CD2-CD1 3.51Å; L65-L200 HydrophobicContact CG-CD1 4.19Å; V96-L200 HydrophobicContact CG1-CD2 3.99Å; K99-L200 PolarHBondContact NZ-O 3.5Å; V198-L200 HydrophobicContact CG1-CD2 4.31Å; V198-L200 PolarHBondContact O-N 3.44Å; L200-D223 WeakPolarHBondContact CA-O 3.17Å; L200-D223 PolarHBondContact N-O 3.47Å; L200-L225 HydrophobicContact CD1-CD1 4.11Å; L200-L225 HydrophobicContact CD1-CD2 4.11Å; L200-L225 HydrophobicContact CD1-CG 3.77Å; L200-L225 HydrophobicContact CG-CG 4.23Å
201	K	68.5	Low	59.3	Low	56 Å²	56	57.2 Å²	57.2	24%	0.243	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.5	-178.4	-173.7	171	177.3	174	0	109.5	D58 Y60 C222 D223	D58-K201 IonicContact OD1-NZ 3.97Å; D58-K201 IonicContact OD2-NZ 2.8Å; D58-K201 PolarHBondContact OD2-NZ 3.12Å; Y60-K201 HydrophobicContact CD2-CD 4.35Å; Y60-K201 HydrophobicContact CE2-CD 4.48Å; K201-C222 CarbonylContact O-C 3.36Å; K201-C222 WeakPolarHBondContact O-CA 3.34Å; K201-D223 PolarHBondContact N-O 2.98Å; K201-D223 PolarHBondContact O-N 3.41Å
202	C	67.6	Low	60.1	Low	53 Å²	53	57.7 Å²	57.7	36%	0.358	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135.2	178	-61.9	0	0	0	0	109.8	S221 C222	C202-S221 CarbonylContact C-O 3.58Å; C202-S221 WeakPolarHBondContact CA-O 3.45Å; C202-C222 HydrophobicContact CB-CB 4.13Å; C202-C222 WeakPolarHBondContact CB-SG 3.15Å; C202-C222 WeakPolarHBondContact SG-CB 3.4Å; C202-C222 CovalentContact SG-SG 2.05Å; C202-C222 PolarHBondContact SG-SG 2.73Å
203	K	62.3	Low	61	Low	19 Å²	19	53.4 Å²	53.4	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121	167	-67.4	-171.8	175	-175.1	0	107.7	Y60 P210 P220 S221	Y60-K203 HydrophobicContact CD1-CD 4.41Å; Y60-K203 HydrophobicContact CE1-CD 3.81Å; Y60-K203 HydrophobicContact CE2-CD 4.22Å; Y60-K203 VanDerWaalsContact CZ-CE 3.45Å; K203-P210 VanDerWaalsContact NZ-CD 3.34Å; K203-P220 WeakPolarHBondContact O-CA 3.17Å; K203-S221 PolarHBondContact N-O 2.94Å; K203-S221 PolarHBondContact O-N 3.28Å
204	E	64.3	Low	61.7	Low	114 Å²	114	52.8 Å²	52.8	53%	0.533	28%	0.283	S	S	.	.			trans	-75.9	160.5	175.5	-51	-177.8	162	0	0	109.5	G206 F207	E204-G206 PolarHBondContact O-N 3.3Å; E204-F207 HydrophobicContact CB-CD2 3.69Å; E204-F207 HydrophobicContact CB-CE2 3.61Å; E204-F207 HydrophobicContact CG-CD2 4.36Å; E204-F207 HydrophobicContact CG-CE2 3.82Å; E204-F207 WeakPolarHBondContact O-CD2 3.42Å; E204-F207 PolarHBondContact O-N 2.87Å
205	H	58.5	Low	61.1	Low	62 Å²	62	52.9 Å²	52.9	29%	0.287	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	127.8	167.1	172.7	-73.4	0	0	0	111.1	I218 P220 V501	H205-I218 PolarHBondContact CD2-O 2.93Å; H205-P220 HydrophobicContact CB-CB 4.3Å; H205-P220 HydrophobicContact CB-CG 4.43Å; H205-V501 WeakPolarHBondContact CE1-CG1 3.42Å; H205-V501 PolarHBondContact CE1-O 3.12Å; H205-V501 WeakPolarHBondContact NE2-CG1 3.48Å; H205-V501 PolarHBondContact NE2-O 2.74Å
206	G	56.8	Low	60.8	Low	16 Å²	16	51.3 Å²	51.3	17%	0.165	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	0.5	177.4	0	0	0	0	0	115.9	E204 Q217	E204-G206 PolarHBondContact O-N 3.3Å; G206-Q217 PolarHBondContact N-O 3.42Å
207	F	63	Low	60	Low	90 Å²	90	47.5 Å²	47.5	40%	0.395	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-65.6	144.4	171.7	-92.1	-104.8	0	0	0	111.7	E204 M216 Q217	E204-F207 HydrophobicContact CB-CD2 3.69Å; E204-F207 HydrophobicContact CB-CE2 3.61Å; E204-F207 HydrophobicContact CG-CD2 4.36Å; E204-F207 HydrophobicContact CG-CE2 3.82Å; E204-F207 WeakPolarHBondContact O-CD2 3.42Å; E204-F207 PolarHBondContact O-N 2.87Å; F207-M216 CarbonylContact O-C 3.5Å; F207-M216 WeakPolarHBondContact O-CA 3.37Å; F207-Q217 PolarHBondContact O-N 2.7Å
208	P	58.8	Low	59.2	Low	49 Å²	49	48.6 Å²	48.6	32%	0.318	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-66.3	147.5	177.2	25.4	-31.6	0	0	0	112.3	Y215 F493	P208-Y215 WeakPolarHBondContact CA-O 3.14Å; P208-F493 HydrophobicContact CB-CE2 4.4Å; P208-F493 HydrophobicContact CB-CZ 4.3Å
209	M	53.8	Low	58.4	Low	7 Å²	7	52 Å²	52	3%	0.034	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-73.7	135.8	175.7	-70.4	-62.1	-69	0	0	110.8	E211 D212 T213 Y215 Q217 E488 A490	M209-E211 VanDerWaalsContact C-N 3.27Å; M209-E211 WeakPolarHBondContact CE-OE2 3.41Å; M209-E211 PolarHBondContact O-N 3.27Å; M209-D212 CarbonylContact O-C 3.58Å; M209-D212 VanDerWaalsContact O-C 3.26Å; M209-D212 PolarHBondContact O-N 3.06Å; M209-T213 PolarHBondContact O-N 3.37Å; M209-Y215 PolarHBondContact N-O 3.01Å; M209-Q217 HydrophobicContact SD-CB 4.21Å; M209-E488 HydrophobicContact CE-CB 4.43Å; M209-E488 WeakPolarHBondContact CE-OE2 3.42Å; M209-A490 HydrophobicContact CG-CB 4.33Å
210	P	51.4	Low	57.8	Low	64 Å²	64	50.1 Å²	50.1	42%	0.416	26%	0.264	S	S	.	.	S	Bend	trans	-59.9	-35.8	178.8	-21.1	29.3	0	0	0	113.9	Y60 K203	Y60-P210 HydrophobicContact CD1-CG 4.21Å; Y60-P210 HydrophobicContact CG-CG 4.48Å; K203-P210 VanDerWaalsContact NZ-CD 3.34Å
211	E	51.1	Low	57.4	Low	89 Å²	89	49.5 Å²	49.5	42%	0.416	26%	0.261	S	S	.	.	S	Bend	trans	-77.3	-30	-175.4	-57	78.4	-171.3	0	0	111.6	M209	M209-E211 VanDerWaalsContact C-N 3.27Å; M209-E211 WeakPolarHBondContact CE-OE2 3.41Å; M209-E211 PolarHBondContact O-N 3.27Å
212	D	49.6	Very low	57	Low	54 Å²	54	47.3 Å²	47.3	29%	0.289	25%	0.253	S	S	.	.			trans	-154.9	104	178.1	-166.9	-24.2	0	0	0	111	M209 Y214 Y215 F456	M209-D212 CarbonylContact O-C 3.58Å; M209-D212 VanDerWaalsContact O-C 3.26Å; M209-D212 PolarHBondContact O-N 3.06Å; D212-Y214 PolarHBondContact O-N 3.38Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.3Å; D212-Y214 PolarHBondContact OD1-N 2.87Å; D212-Y215 HydrophobicContact CB-CD2 3.82Å; D212-Y215 HydrophobicContact CB-CE2 4.38Å; D212-Y215 VanDerWaalsContact CG-CD2 3.46Å; D212-Y215 PolarHBondContact O-N 2.97Å; D212-Y215 VanDerWaalsContact OD2-CE2 3.26Å; D212-Y215 WeakPolarHBondContact OD2-CE2 3.35Å; D212-F456 HydrophobicContact CB-CE1 3.98Å; D212-F456 HydrophobicContact CB-CZ 4.23Å
213	T	57.9	Low	56.7	Low	75 Å²	75	44.9 Å²	44.9	46%	0.46	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-5.1	-177.8	62.6	0	0	0	0	113.3	E137 M209 F493	E137-T213 WeakPolarHBondContact OE1-CG2 3.35Å; M209-T213 PolarHBondContact O-N 3.37Å; T213-F493 WeakPolarHBondContact O-CE2 3.25Å
214	Y	57.3	Low	56.8	Low	95 Å²	95	44 Å²	44	37%	0.373	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.7	171.5	-168.9	-105.3	0	0	0	113.3	D212 P492 F493 E494	D212-Y214 PolarHBondContact O-N 3.38Å; D212-Y214 WeakPolarHBondContact OD1-CB 3.3Å; D212-Y214 PolarHBondContact OD1-N 2.87Å; Y214-P492 HydrophobicContact CD1-CB 4.48Å; Y214-P492 HydrophobicContact CE1-CB 3.77Å; Y214-P492 HydrophobicContact CE1-CG 4.49Å; Y214-F493 WeakPolarHBondContact O-CD2 2.9Å; Y214-F493 PolarHBondContact O-N 3.42Å; Y214-E494 PolarHBondContact OH-OE2 2.9Å
215	Y	47.2	Very low	57	Low	34 Å²	34	38.6 Å²	38.6	13%	0.133	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.9	-179.4	-64.5	-95.1	0	0	0	111.6	P208 M209 D212 K454 F456 A490 I491 P492 F493	P208-Y215 WeakPolarHBondContact CA-O 3.14Å; M209-Y215 PolarHBondContact N-O 3.01Å; D212-Y215 HydrophobicContact CB-CD2 3.82Å; D212-Y215 HydrophobicContact CB-CE2 4.38Å; D212-Y215 VanDerWaalsContact CG-CD2 3.46Å; D212-Y215 PolarHBondContact O-N 2.97Å; D212-Y215 VanDerWaalsContact OD2-CE2 3.26Å; D212-Y215 WeakPolarHBondContact OD2-CE2 3.35Å; Y215-K454 HydrophobicContact CE1-CB 4.2Å; Y215-F456 HydrophobicContact CD1-CE2 4.02Å; Y215-F456 HydrophobicContact CD1-CZ 4.26Å; Y215-F456 HydrophobicContact CD2-CE2 4.14Å; Y215-F456 AromaticContact CD2-CZ 3.6Å; Y215-F456 HydrophobicContact CD2-CZ 3.6Å; Y215-F456 HydrophobicContact CE1-CE2 4.27Å; Y215-F456 HydrophobicContact CE1-CZ 4.32Å; Y215-F456 HydrophobicContact CE2-CE2 4.37Å; Y215-F456 AromaticContact CE2-CZ 3.66Å; Y215-F456 HydrophobicContact CE2-CZ 3.66Å; Y215-F456 AromaticContact CG-CE2 3.96Å; Y215-F456 HydrophobicContact CG-CE2 3.96Å; Y215-F456 AromaticContact CG-CZ 3.92Å; Y215-F456 HydrophobicContact CG-CZ 3.92Å; Y215-A490 HydrophobicContact CD1-CB 3.91Å; Y215-A490 HydrophobicContact CG-CB 4.1Å; Y215-I491 VanDerWaalsContact CD1-C 3.41Å; Y215-I491 WeakPolarHBondContact CD1-O 3.24Å; Y215-P492 HydrophobicContact CE1-CG 4.01Å; Y215-F493 WeakPolarHBondContact O-CE2 3.2Å
216	M	56.7	Low	57.5	Low	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.2	-178.3	78.1	-173.3	81.7	0	0	113.2	F207 F493 Q498 V501	F207-M216 CarbonylContact O-C 3.5Å; F207-M216 WeakPolarHBondContact O-CA 3.37Å; M216-F493 HydrophobicContact CB-CD1 4.38Å; M216-F493 HydrophobicContact CB-CE1 3.68Å; M216-F493 HydrophobicContact CB-CE2 4.15Å; M216-F493 HydrophobicContact CB-CZ 3.53Å; M216-F493 HydrophobicContact CE-CB 4.21Å; M216-F493 HydrophobicContact CE-CD1 3.22Å; M216-F493 HydrophobicContact CE-CE1 3.63Å; M216-F493 HydrophobicContact CE-CG 3.81Å; M216-F493 HydrophobicContact CE-CZ 4.49Å; M216-F493 HydrophobicContact CG-CE1 4.49Å; M216-F493 HydrophobicContact SD-CD1 4.36Å; M216-F493 HydrophobicContact SD-CE1 4.22Å; M216-Q498 HydrophobicContact CE-CB 4.23Å; M216-Q498 HydrophobicContact CE-CG 3.66Å; M216-Q498 HydrophobicContact SD-CG 4.19Å; M216-V501 HydrophobicContact SD-CG1 4.18Å
217	Q	55.6	Low	57.9	Low	16 Å²	16	36 Å²	36	8%	0.075	19%	0.191	C	C	.	.			trans	-75	124.1	175.6	-172	172.4	-13.7	0	0	111.3	G206 F207 M209 C219 S221	G206-Q217 PolarHBondContact N-O 3.42Å; F207-Q217 PolarHBondContact O-N 2.7Å; M209-Q217 HydrophobicContact SD-CB 4.21Å; Q217-C219 WeakPolarHBondContact CG-O 3.42Å; Q217-C219 PolarHBondContact NE2-O 3.28Å; Q217-S221 PolarHBondContact NE2-OG 2.83Å
218	I	50.1	Low	58	Low	53 Å²	53	32.8 Å²	32.8	27%	0.272	18%	0.178	S	C	.	.	S	Bend	trans	-82.7	-36.1	-175.9	-58	173.6	0	0	0	112	H205 F489 I491 V501	H205-I218 PolarHBondContact CD2-O 2.93Å; I218-F489 HydrophobicContact CD1-CD1 4.36Å; I218-I491 HydrophobicContact CD1-CG1 4.49Å; I218-I491 HydrophobicContact CD1-CG2 4.38Å; I218-V501 HydrophobicContact CG1-CG1 4.4Å; I218-V501 HydrophobicContact CG2-CG1 4.32Å; I218-V501 HydrophobicContact CG2-CG2 4.3Å
219	C	54.4	Low	58.3	Low	73 Å²	73	34.6 Å²	34.6	49%	0.493	18%	0.182	S	C	.	.	S	Bend	trans	-109.9	125.8	-177.5	-64.3	0	0	0	0	110.6	Q217 S221	Q217-C219 WeakPolarHBondContact CG-O 3.42Å; Q217-C219 PolarHBondContact NE2-O 3.28Å; C219-S221 PolarHBondContact O-N 3.39Å
220	P	58.6	Low	58.7	Low	15 Å²	15	39.6 Å²	39.6	10%	0.097	21%	0.206	C	C	.	.			trans	-67	130	175.3	28.7	-32.8	0	0	0	109.9	K203 H205 C242 Q243 E244	K203-P220 WeakPolarHBondContact O-CA 3.17Å; H205-P220 HydrophobicContact CB-CB 4.3Å; H205-P220 HydrophobicContact CB-CG 4.43Å; P220-C242 CarbonylContact O-C 3.59Å; P220-C242 VanDerWaalsContact O-CA 3.31Å; P220-C242 WeakPolarHBondContact O-CA 2.91Å; P220-Q243 HydrophobicContact CB-CB 3.94Å; P220-Q243 HydrophobicContact CB-CG 4.22Å; P220-Q243 HydrophobicContact CG-CB 4.06Å; P220-Q243 PolarHBondContact O-N 3.42Å; P220-E244 HydrophobicContact CG-CG 4.16Å
221	S	62.7	Low	59.2	Low	6 Å²	6	44.5 Å²	44.5	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.8	-178.1	67.7	0	0	0	0	112.3	C202 K203 Q217 C219 K241	C202-S221 CarbonylContact C-O 3.58Å; C202-S221 WeakPolarHBondContact CA-O 3.45Å; K203-S221 PolarHBondContact N-O 2.94Å; K203-S221 PolarHBondContact O-N 3.28Å; Q217-S221 PolarHBondContact NE2-OG 2.83Å; C219-S221 PolarHBondContact O-N 3.39Å; S221-K241 CarbonylContact C-O 3.55Å; S221-K241 VanDerWaalsContact CA-O 3.31Å; S221-K241 WeakPolarHBondContact CA-O 3.26Å
222	C	58.9	Low	59.2	Low	10 Å²	10	45.5 Å²	45.5	7%	0.068	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.1	177.4	-67.5	0	0	0	0	109.3	F197 P199 K201 C202 I240 K241 Q243	F197-C222 HydrophobicContact CE1-CB 4.14Å; F197-C222 HydrophobicContact CZ-CB 4.3Å; F197-C222 WeakPolarHBondContact CZ-O 3.42Å; P199-C222 HydrophobicContact CB-CB 4.14Å; K201-C222 CarbonylContact O-C 3.36Å; K201-C222 WeakPolarHBondContact O-CA 3.34Å; C202-C222 HydrophobicContact CB-CB 4.13Å; C202-C222 WeakPolarHBondContact CB-SG 3.15Å; C202-C222 WeakPolarHBondContact SG-CB 3.4Å; C202-C222 CovalentContact SG-SG 2.05Å; C202-C222 PolarHBondContact SG-SG 2.73Å; C222-I240 CarbonylContact O-C 3.48Å; C222-I240 WeakPolarHBondContact O-CA 3.1Å; C222-K241 PolarHBondContact N-O 2.97Å; C222-K241 PolarHBondContact O-N 3.36Å; C222-Q243 VanDerWaalsContact SG-CG 3.55Å
223	D	62.2	Low	59	Low	2 Å²	2	50.8 Å²	50.8	1%	0.011	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	137.9	162.3	-176	23.6	0	0	0	109.7	P59 L200 K201 R238 I240	P59-D223 WeakPolarHBondContact CD-OD2 3.21Å; P59-D223 HydrophobicContact CG-CB 4.44Å; P59-D223 WeakPolarHBondContact CG-OD2 3.24Å; L200-D223 WeakPolarHBondContact CA-O 3.17Å; L200-D223 PolarHBondContact N-O 3.47Å; K201-D223 PolarHBondContact N-O 2.98Å; K201-D223 PolarHBondContact O-N 3.41Å; D223-R238 IonicContact OD1-CZ 3.65Å; D223-R238 IonicContact OD1-NE 3.48Å; D223-R238 PolarHBondContact OD1-NE 3.08Å; D223-R238 IonicContact OD1-NH2 2.83Å; D223-R238 PolarHBondContact OD1-NH2 3.41Å; D223-R238 IonicContact OD2-CZ 3.47Å; D223-R238 IonicContact OD2-NE 3.39Å; D223-R238 IonicContact OD2-NH2 2.7Å; D223-R238 PolarHBondContact OD2-NH2 3.13Å; D223-I240 HydrophobicContact CB-CG1 4.22Å
224	G	64.4	Low	58.6	Low	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	-172.3	-175.3	0	0	0	0	0	115	V198 R238 V239	V198-G224 CarbonylContact O-C 3.54Å; V198-G224 WeakPolarHBondContact O-CA 3.12Å; G224-R238 WeakPolarHBondContact O-CA 3.46Å; G224-V239 PolarHBondContact N-O 3.09Å; G224-V239 PolarHBondContact O-N 3.17Å
225	L	68.2	Low	58.8	Low	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.7	179.3	-52.8	174	0	0	0	109.1	F56 V100 F197 V198 L200 V227 I236 I237	F56-L225 HydrophobicContact CD2-CD2 3.62Å; F56-L225 HydrophobicContact CE2-CD2 3.55Å; V100-L225 HydrophobicContact CG2-CD1 4.1Å; F197-L225 CarbonylContact C-O 3.02Å; F197-L225 WeakPolarHBondContact CA-O 3.46Å; V198-L225 HydrophobicContact CB-CB 4.33Å; V198-L225 PolarHBondContact N-O 2.67Å; V198-L225 PolarHBondContact O-N 3.28Å; L200-L225 HydrophobicContact CD1-CD1 4.11Å; L200-L225 HydrophobicContact CD1-CD2 4.11Å; L200-L225 HydrophobicContact CD1-CG 3.77Å; L200-L225 HydrophobicContact CG-CG 4.23Å; L225-V227 HydrophobicContact CB-CG2 4.34Å; L225-I236 HydrophobicContact CB-CG2 4.25Å; L225-I236 HydrophobicContact CD1-CG2 4.48Å; L225-I236 HydrophobicContact CD2-CG2 4.18Å; L225-I237 CarbonylContact C-O 3.55Å
226	L	68.8	Low	59.4	Low	17 Å²	17	42.4 Å²	42.4	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.1	162.6	-177.7	65.1	0	0	0	108.6	F197 L228 I237 V239	F197-L226 HydrophobicContact CB-CD1 4.42Å; L226-L228 HydrophobicContact CD2-CD2 3.92Å; L226-L228 HydrophobicContact CG-CD2 3.9Å; L226-I237 HydrophobicContact CB-CB 4.45Å; L226-I237 PolarHBondContact N-O 2.78Å; L226-I237 PolarHBondContact O-N 2.9Å; L226-V239 HydrophobicContact CB-CG2 3.66Å; L226-V239 HydrophobicContact CD2-CG2 4.3Å
227	V	65.6	Low	59.6	Low	6 Å²	6	45.2 Å²	45.2	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.6	179.8	175.9	0	0	0	0	109.5	V104 I109 G195 K196 V198 L225 N235 I236	V104-V227 HydrophobicContact CG1-CG1 3.77Å; V104-V227 HydrophobicContact CG2-CB 4.06Å; V104-V227 HydrophobicContact CG2-CG1 4.14Å; V104-V227 HydrophobicContact CG2-CG2 3.75Å; I109-V227 HydrophobicContact CD1-CB 4.43Å; I109-V227 HydrophobicContact CD1-CG1 3.14Å; G195-V227 CarbonylContact C-O 3.53Å; G195-V227 WeakPolarHBondContact CA-O 3.5Å; K196-V227 PolarHBondContact N-O 2.8Å; K196-V227 PolarHBondContact O-N 3.02Å; V198-V227 HydrophobicContact CG2-CG2 4.19Å; L225-V227 HydrophobicContact CB-CG2 4.34Å; V227-N235 CarbonylContact C-O 3.58Å; V227-N235 WeakPolarHBondContact CA-O 3.17Å; V227-I236 HydrophobicContact CG2-CG1 4.45Å
228	L	64.2	Low	59.7	Low	23 Å²	23	45.9 Å²	45.9	12%	0.12	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	165.8	-179.8	-50.8	-179.7	0	0	0	111.2	S194 L226 Y232 N235 I237	S194-L228 WeakPolarHBondContact O-CA 3.12Å; S194-L228 WeakPolarHBondContact O-CD2 3.5Å; L226-L228 HydrophobicContact CD2-CD2 3.92Å; L226-L228 HydrophobicContact CG-CD2 3.9Å; L228-Y232 HydrophobicContact CB-CD2 3.94Å; L228-Y232 HydrophobicContact CB-CG 3.94Å; L228-Y232 HydrophobicContact CD1-CD1 4.35Å; L228-Y232 HydrophobicContact CD1-CG 4.04Å; L228-N235 PolarHBondContact N-O 3.43Å; L228-I237 HydrophobicContact CD1-CD1 3.8Å; L228-I237 HydrophobicContact CD1-CG1 4.41Å; L228-I237 HydrophobicContact CG-CD1 4.43Å
229	E	65	Low	60	Low	87 Å²	87	44.9 Å²	44.9	41%	0.407	21%	0.214	S	C	.	.			trans	-65.2	163.8	174.3	-57.9	-170.4	139.2	0	0	112.5	D193 H231 Y232	D193-E229 WeakPolarHBondContact O-CG 3.5Å; D193-E229 VanDerWaalsContact O-OE1 3.06Å; E229-H231 PolarHBondContact O-N 3.33Å; E229-Y232 HydrophobicContact CB-CD2 3.99Å; E229-Y232 HydrophobicContact CB-CE2 4.16Å; E229-Y232 PolarHBondContact O-N 3.23Å
230	Q	63.9	Low	60	Low	113 Å²	113	43.4 Å²	43.4	53%	0.528	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.4	-173.3	-65.6	-175.1	-5.7	0	0	115.4	D106 Y232	D106-Q230 VanDerWaalsContact OD2-CD 3.29Å; D106-Q230 WeakPolarHBondContact OD2-CG 3.49Å; D106-Q230 PolarHBondContact OD2-NE2 3.05Å; Q230-Y232 VanDerWaalsContact C-N 3.3Å
231	H	60.5	Low	59.7	Low	167 Å²	167	44.2 Å²	44.2	77%	0.773	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.7	-177.4	-53.2	-47.7	0	0	0	112.9	E229	E229-H231 PolarHBondContact O-N 3.33Å
232	Y	52.1	Low	59.1	Low	110 Å²	110	45.1 Å²	45.1	43%	0.431	21%	0.208	S	C	.	.	S	Bend	trans	-94.6	140.1	177.8	-64.1	-83.4	0	0	0	111.2	L228 E229 Q230 N235	L228-Y232 HydrophobicContact CB-CD2 3.94Å; L228-Y232 HydrophobicContact CB-CG 3.94Å; L228-Y232 HydrophobicContact CD1-CD1 4.35Å; L228-Y232 HydrophobicContact CD1-CG 4.04Å; E229-Y232 HydrophobicContact CB-CD2 3.99Å; E229-Y232 HydrophobicContact CB-CE2 4.16Å; E229-Y232 PolarHBondContact O-N 3.23Å; Q230-Y232 VanDerWaalsContact C-N 3.3Å; Y232-N235 WeakPolarHBondContact O-CB 3.26Å
233	R	45.9	Very low	58.8	Low	164 Å²	164	48.4 Å²	48.4	62%	0.619	22%	0.223	S	C	*	.	S	Bend	trans	-138.8	125	174.6	-74.3	-87.2	-178.7	158.9	-1	107.3
234	P	48.7	Very low	58	Low	13 Å²	13	55 Å²	55	8%	0.084	25%	0.254	C	S	.	.	S	Bend	cis	-65.2	142.3	-7.3	26.9	-29.4	0	0	0	110.5	Y40 A46	Y40-P234 HydrophobicContact CD1-CG 4.34Å; A46-P234 WeakPolarHBondContact O-CB 3.45Å
235	N	61.2	Low	57	Low	15 Å²	15	60.6 Å²	60.6	8%	0.08	28%	0.284	C	S	.	.			trans	-88.5	-7.1	-178.7	58.5	-17.7	0	0	0	112.9	S47 V227 L228 Y232	S47-N235 PolarHBondContact O-OD1 3.18Å; V227-N235 CarbonylContact C-O 3.58Å; V227-N235 WeakPolarHBondContact CA-O 3.17Å; L228-N235 PolarHBondContact N-O 3.43Å; Y232-N235 WeakPolarHBondContact O-CB 3.26Å
236	I	59.8	Low	55.5	Low	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119	178.9	-55.1	171.5	0	0	0	108.4	A46 L49 A52 F56 I109 L225 V227	A46-I236 PolarHBondContact N-O 3.13Å; A46-I236 PolarHBondContact O-N 2.67Å; L49-I236 HydrophobicContact CD2-CD1 3.86Å; L49-I236 HydrophobicContact CG-CD1 4.08Å; A52-I236 HydrophobicContact CB-CG2 4.39Å; F56-I236 HydrophobicContact CE2-CG2 4.13Å; F56-I236 HydrophobicContact CZ-CG2 4.45Å; I109-I236 HydrophobicContact CD1-CD1 4.22Å; I109-I236 HydrophobicContact CD1-CG1 4.07Å; L225-I236 HydrophobicContact CB-CG2 4.25Å; L225-I236 HydrophobicContact CD1-CG2 4.48Å; L225-I236 HydrophobicContact CD2-CG2 4.18Å; V227-I236 HydrophobicContact CG2-CG1 4.45Å
237	I	60.9	Low	53.8	Low	59 Å²	59	70.9 Å²	70.9	30%	0.303	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.3	177.8	-56.6	176.6	0	0	0	108	L225 L226 L228 V239	L225-I237 CarbonylContact C-O 3.55Å; L226-I237 HydrophobicContact CB-CB 4.45Å; L226-I237 PolarHBondContact N-O 2.78Å; L226-I237 PolarHBondContact O-N 2.9Å; L228-I237 HydrophobicContact CD1-CD1 3.8Å; L228-I237 HydrophobicContact CD1-CG1 4.41Å; L228-I237 HydrophobicContact CG-CD1 4.43Å; I237-V239 HydrophobicContact CG2-CG2 3.99Å
238	R	57.5	Low	52.2	Low	31 Å²	31	72.7 Å²	72.7	12%	0.117	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.3	172.1	-172.5	168	164.4	-81.7	-20.9	111	D44 F56 R57 P59 D223 G224	D44-R238 HydrophobicContact CB-CB 4.25Å; D44-R238 PolarHBondContact O-N 3.29Å; D44-R238 IonicContact OD1-NH1 3.54Å; D44-R238 PolarHBondContact OD1-NH1 3.08Å; D44-R238 VanDerWaalsContact OD1-NH1 3.12Å; F56-R238 HydrophobicContact CD2-CB 3.83Å; F56-R238 HydrophobicContact CD2-CG 4.26Å; F56-R238 HydrophobicContact CE2-CB 3.75Å; F56-R238 HydrophobicContact CG-CB 4.38Å; F56-R238 HydrophobicContact CZ-CB 4.29Å; R57-R238 PolarHBondContact O-NE 2.9Å; P59-R238 VanDerWaalsContact CB-NH2 3.26Å; D223-R238 IonicContact OD1-CZ 3.65Å; D223-R238 IonicContact OD1-NE 3.48Å; D223-R238 PolarHBondContact OD1-NE 3.08Å; D223-R238 IonicContact OD1-NH2 2.83Å; D223-R238 PolarHBondContact OD1-NH2 3.41Å; D223-R238 IonicContact OD2-CZ 3.47Å; D223-R238 IonicContact OD2-NE 3.39Å; D223-R238 IonicContact OD2-NH2 2.7Å; D223-R238 PolarHBondContact OD2-NH2 3.13Å; G224-R238 WeakPolarHBondContact O-CA 3.46Å
239	V	56.1	Low	50.8	Low	32 Å²	32	74.5 Å²	74.5	19%	0.194	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.9	-175.2	-173.5	0	0	0	0	111.2	F197 G224 L226 I237 K241	F197-V239 HydrophobicContact CE2-CB 4.23Å; F197-V239 WeakPolarHBondContact CE2-O 3.49Å; G224-V239 PolarHBondContact N-O 3.09Å; G224-V239 PolarHBondContact O-N 3.17Å; L226-V239 HydrophobicContact CB-CG2 3.66Å; L226-V239 HydrophobicContact CD2-CG2 4.3Å; I237-V239 HydrophobicContact CG2-CG2 3.99Å; V239-K241 HydrophobicContact CG1-CG 3.97Å
240	I	54.1	Low	49.3	Very low	41 Å²	41	77.6 Å²	77.6	21%	0.21	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121	168.4	-57.7	175.6	0	0	0	109.2	P59 C222 D223	P59-I240 HydrophobicContact CB-CD1 4.22Å; P59-I240 HydrophobicContact CG-CD1 4.14Å; C222-I240 CarbonylContact O-C 3.48Å; C222-I240 WeakPolarHBondContact O-CA 3.1Å; D223-I240 HydrophobicContact CB-CG1 4.22Å
241	K	53.8	Low	47.8	Very low	32 Å²	32	77.5 Å²	77.5	14%	0.139	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.7	-179.7	-67.5	-165.8	171.7	-157.3	0	112.3	F197 S221 C222 V239 Y246	F197-K241 HydrophobicContact CB-CD 4.25Å; F197-K241 HydrophobicContact CD1-CD 3.87Å; F197-K241 HydrophobicContact CD1-CG 4.48Å; F197-K241 HydrophobicContact CD2-CD 3.93Å; F197-K241 HydrophobicContact CD2-CG 4.28Å; F197-K241 HydrophobicContact CE1-CB 4.13Å; F197-K241 HydrophobicContact CE1-CD 4.14Å; F197-K241 HydrophobicContact CE1-CG 4.27Å; F197-K241 HydrophobicContact CE2-CD 4.21Å; F197-K241 HydrophobicContact CE2-CG 4.07Å; F197-K241 HydrophobicContact CG-CD 3.74Å; F197-K241 HydrophobicContact CG-CG 4.47Å; F197-K241 HydrophobicContact CZ-CB 4.12Å; F197-K241 HydrophobicContact CZ-CD 4.31Å; F197-K241 HydrophobicContact CZ-CG 4.07Å; S221-K241 CarbonylContact C-O 3.55Å; S221-K241 VanDerWaalsContact CA-O 3.31Å; S221-K241 WeakPolarHBondContact CA-O 3.26Å; C222-K241 PolarHBondContact N-O 2.97Å; C222-K241 PolarHBondContact O-N 3.36Å; V239-K241 HydrophobicContact CG1-CG 3.97Å; K241-Y246 WeakPolarHBondContact CD-O 3.23Å
242	C	50.3	Low	46.2	Very low	25 Å²	25	71.1 Å²	71.1	17%	0.169	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135	174.8	-86.8	0	0	0	0	110.8	P220 E244 Y246 L247 C249	P220-C242 CarbonylContact O-C 3.59Å; P220-C242 VanDerWaalsContact O-CA 3.31Å; P220-C242 WeakPolarHBondContact O-CA 2.91Å; C242-E244 PolarHBondContact O-N 3.48Å; C242-Y246 WeakPolarHBondContact O-CA 3.44Å; C242-Y246 PolarHBondContact O-N 2.63Å; C242-L247 PolarHBondContact N-O 3.23Å; C242-C249 WeakPolarHBondContact CA-SG 3.16Å; C242-C249 HydrophobicContact CB-CB 4.4Å; C242-C249 WeakPolarHBondContact CB-SG 3.35Å; C242-C249 PolarHBondContact N-SG 3.26Å; C242-C249 WeakPolarHBondContact SG-CB 3.26Å; C242-C249 CovalentContact SG-SG 2.05Å; C242-C249 PolarHBondContact SG-SG 3.01Å
243	Q	51.6	Low	45.3	Very low	80 Å²	80	69.8 Å²	69.8	37%	0.374	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.6	-172.7	-78.9	-171.6	-23.9	0	0	113.5	P220 C222 N245	P220-Q243 HydrophobicContact CB-CB 3.94Å; P220-Q243 HydrophobicContact CB-CG 4.22Å; P220-Q243 HydrophobicContact CG-CB 4.06Å; P220-Q243 PolarHBondContact O-N 3.42Å; C222-Q243 VanDerWaalsContact SG-CG 3.55Å; Q243-N245 PolarHBondContact O-N 3.5Å
244	E	46.6	Very low	44.4	Very low	139 Å²	139	66.9 Å²	66.9	65%	0.65	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.5	-171.2	-75.7	-165.4	153.8	0	0	113.9	P220 C242	P220-E244 HydrophobicContact CG-CG 4.16Å; C242-E244 PolarHBondContact O-N 3.48Å
245	N	43	Very low	43.6	Very low	118 Å²	118	72.2 Å²	72.2	63%	0.631	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.3	10.4	176.7	-81.4	-45.4	0	0	0	116.2	Q243 L247	Q243-N245 PolarHBondContact O-N 3.5Å; N245-L247 HydrophobicContact CB-CD1 3.79Å; N245-L247 HydrophobicContact CB-CG 4.09Å; N245-L247 PolarHBondContact O-N 3.02Å
246	Y	36.6	Very low	42.1	Very low	168 Å²	168	79.4 Å²	79.4	66%	0.659	41%	0.411	S	S	*	.			trans	52.2	14.3	-174.2	-60.6	-83.2	0	0	0	115.1	K241 C242	K241-Y246 WeakPolarHBondContact CD-O 3.23Å; C242-Y246 WeakPolarHBondContact O-CA 3.44Å; C242-Y246 PolarHBondContact O-N 2.63Å
247	L	33.6	Very low	40.6	Very low	65 Å²	65	85.4 Å²	85.4	34%	0.34	44%	0.443	S	S	.	.			trans	-73	138.4	171.1	-70.8	163.5	0	0	0	107.6	C242 N245 C249	C242-L247 PolarHBondContact N-O 3.23Å; N245-L247 HydrophobicContact CB-CD1 3.79Å; N245-L247 HydrophobicContact CB-CG 4.09Å; N245-L247 PolarHBondContact O-N 3.02Å; L247-C249 PolarHBondContact O-N 3.05Å
248	P	31.4	Very low	39	Very low	45 Å²	45	91.4 Å²	91.4	29%	0.292	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-52.8	132.5	164.8	-12.8	25.5	0	0	0	106.9	L250 D251	P248-L250 PolarHBondContact O-N 3.25Å; P248-D251 PolarHBondContact O-N 3.33Å
249	C	34.6	Very low	37.5	Very low	60 Å²	60	95.1 Å²	95.1	41%	0.405	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-4.5	177.4	-57.9	0	0	0	0	112.6	C242 L247	C242-C249 WeakPolarHBondContact CA-SG 3.16Å; C242-C249 HydrophobicContact CB-CB 4.4Å; C242-C249 WeakPolarHBondContact CB-SG 3.35Å; C242-C249 PolarHBondContact N-SG 3.26Å; C242-C249 WeakPolarHBondContact SG-CB 3.26Å; C242-C249 CovalentContact SG-SG 2.05Å; C242-C249 PolarHBondContact SG-SG 3.01Å; L247-C249 PolarHBondContact O-N 3.05Å
250	L	34.3	Very low	36.1	Very low	152 Å²	152	102.8 Å²	102.8	80%	0.796	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-9.2	-178.6	-69	173.7	0	0	0	115	P248	P248-L250 PolarHBondContact O-N 3.25Å
251	D	30.8	Very low	34.8	Very low	112 Å²	112	105.8 Å²	105.8	60%	0.599	56%	0.559	S	S	*	*			trans	-116.4	105.8	176.3	-79.9	-38.6	0	0	0	110.3	P248 D253	P248-D251 PolarHBondContact O-N 3.33Å; D251-D253 VanDerWaalsContact C-N 3.3Å; D251-D253 PolarHBondContact O-N 3.41Å
252	G	28.2	Very low	33.5	Very low	32 Å²	32	115.9 Å²	115.9	33%	0.33	60%	0.596	S	S	.	*			trans	-66.7	91.6	168.7	0	0	0	0	0	108.9
253	D	32.6	Very low	32.5	Very low	82 Å²	82	126.1 Å²	126.1	44%	0.439	63%	0.631	S	S	.	*			trans	-139.3	114.5	167.8	-129	-9.3	0	0	0	111.1	D251	D251-D253 VanDerWaalsContact C-N 3.3Å; D251-D253 PolarHBondContact O-N 3.41Å
254	N	27.7	Very low	31.5	Very low	104 Å²	104	127.7 Å²	127.7	56%	0.556	65%	0.65	S	S	*	*			trans	-109.6	138.4	-180	-117.1	-18.5	0	0	0	108.1
255	N	30.9	Very low	30.7	Very low	124 Å²	124	126.2 Å²	126.2	66%	0.663	66%	0.656	S	S	*	*			trans	90.6	109.4	153.3	-56.3	-31.2	0	0	0	119.1
256	Q	29.5	Very low	30	Very low	166 Å²	166	127.5 Å²	127.5	78%	0.776	66%	0.663	S	S	*	*				25	117.9	118.8	-52.9	-178.7	7.9	0	0	114.5
257	L	28.1	Very low	29.7	Very low	126 Å²	126	125.6 Å²	125.6	66%	0.66	67%	0.671	S	S	*	*				-172.3	161.2	86.2	-115.2	100.4	0	0	0	110.6
258	H	28	Very low	29.4	Very low	186 Å²	186	126.4 Å²	126.4	86%	0.861	69%	0.687	S	S	*	*			trans	-42.3	133.7	174.3	-66.8	-80.7	0	0	0	114.8
259	S	26.6	Very low	29.2	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	71%	0.714	S	S	*	*			trans	-132.9	114.2	156.9	54.8	0	0	0	0	109.6	S261	S259-S261 PolarHBondContact O-N 3.31Å
260	Q	26.8	Very low	28.9	Very low	192 Å²	192	139.9 Å²	139.9	90%	0.897	74%	0.737	S	S	*	*			trans	-60.5	125	164.6	-74.3	177.7	-15.6	0	0	108.4	R262	Q260-R262 PolarHBondContact O-N 2.79Å; Q260-R262 VanDerWaalsContact O-N 3.17Å
261	S	26.9	Very low	28.5	Very low	105 Å²	105	140.9 Å²	140.9	73%	0.734	74%	0.738	S	S	*	*			trans	-41.9	113.6	167.9	143.3	0	0	0	0	111.1	S259	S259-S261 PolarHBondContact O-N 3.31Å
262	R	26.3	Very low	28.3	Very low	243 Å²	243	143.9 Å²	143.9	92%	0.917	75%	0.748	S	S	*	*			trans	-106.5	117.3	150.4	-88.5	-170.9	176.7	-174	-0.1	108.2	Q260 S264	Q260-R262 PolarHBondContact O-N 2.79Å; Q260-R262 VanDerWaalsContact O-N 3.17Å; R262-S264 PolarHBondContact O-N 3.17Å
263	R	29.3	Very low	28.3	Very low	241 Å²	241	146.7 Å²	146.7	91%	0.909	76%	0.761	S	S	*	*			trans	-53.7	116.5	169.7	-65.9	172.5	179.3	175.9	-2.3	108.9
264	S	29.4	Very low	28.7	Very low	112 Å²	112	150.9 Å²	150.9	78%	0.783	77%	0.77	S	S	*	*			trans	-124.9	117.7	150.2	116	0	0	0	0	105.9	R262	R262-S264 PolarHBondContact O-N 3.17Å
265	S	30.4	Very low	29.4	Very low	109 Å²	109	148.4 Å²	148.4	76%	0.762	76%	0.755	S	S	*	*			trans	-82.5	104.9	177.2	42.4	0	0	0	0	107.4
266	D	28.8	Very low	30.2	Very low	145 Å²	145	147.1 Å²	147.1	78%	0.775	74%	0.744	S	S	*	*			trans	-155.1	129.6	146.4	-84	-38.6	0	0	0	106.8	A268	D266-A268 PolarHBondContact O-N 3.43Å
267	P	29.1	Very low	31.4	Very low	128 Å²	128	141.8 Å²	141.8	83%	0.831	72%	0.717	S	S	*	*			trans	-74.5	95.7	-176.8	29.4	-30.1	0	0	0	108.5	E269	P267-E269 PolarHBondContact O-N 3.36Å
268	A	28.9	Very low	33	Very low	82 Å²	82	137.5 Å²	137.5	68%	0.678	69%	0.694	S	S	*	*			trans	-57.8	121.1	166	0	0	0	0	0	108.1	D266 F270	D266-A268 PolarHBondContact O-N 3.43Å; A268-F270 PolarHBondContact O-N 3.41Å
269	E	26.8	Very low	34.6	Very low	186 Å²	186	130.3 Å²	130.3	87%	0.869	67%	0.667	S	S	*	*			trans	-49.8	123.8	169.6	-70.3	176.6	152.2	0	0	108.2	P267 E271	P267-E269 PolarHBondContact O-N 3.36Å; E269-E271 PolarHBondContact O-N 3.31Å
270	F	26.7	Very low	35.9	Very low	201 Å²	201	125.2 Å²	125.2	88%	0.882	63%	0.632	S	S	*	*			trans	-66.2	105.1	-179	-80.6	-99.8	0	0	0	108.4	A268 E272	A268-F270 PolarHBondContact O-N 3.41Å; F270-E272 PolarHBondContact O-N 3.17Å
271	E	26.5	Very low	36.9	Very low	173 Å²	173	117.5 Å²	117.5	81%	0.808	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-60.7	120.4	163.5	-84.2	-173.1	160.9	0	0	108.5	E269	E269-E271 PolarHBondContact O-N 3.31Å
272	E	26.1	Very low	38	Very low	175 Å²	175	115.3 Å²	115.3	82%	0.818	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-59.6	139.5	178.9	-69.2	179.7	161.7	0	0	110.9	F270 R274	F270-E272 PolarHBondContact O-N 3.17Å; E272-R274 PolarHBondContact O-N 3.14Å
273	P	29.2	Very low	39.2	Very low	92 Å²	92	106.3 Å²	106.3	60%	0.597	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-60.1	138	-177.6	-21.2	32	0	0	0	113.1	Y40 E275	Y40-P273 PolarHBondContact OH-O 2.71Å; P273-E275 PolarHBondContact O-N 3.45Å
274	R	39.9	Very low	40.3	Very low	169 Å²	169	100.5 Å²	100.5	64%	0.638	53%	0.534	S	S	*	.			trans	-67.5	103.2	-171.9	-56.1	175.8	-176.2	-173.4	3.2	112.3	E272 W291 G296	E272-R274 PolarHBondContact O-N 3.14Å; R274-W291 HydrophobicContact CB-CH2 3.91Å; R274-W291 HydrophobicContact CB-CZ2 3.76Å; R274-W291 HydrophobicContact CB-CZ3 4.4Å; R274-W291 HydrophobicContact CG-CH2 3.54Å; R274-W291 HydrophobicContact CG-CZ2 3.9Å; R274-W291 HydrophobicContact CG-CZ3 4.04Å; R274-G296 PolarHBondContact NH1-O 2.93Å; R274-G296 VanDerWaalsContact NH1-O 3.12Å
275	E	42.7	Very low	41.5	Very low	52 Å²	52	98.5 Å²	98.5	24%	0.243	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-71.3	121	171	-77.6	-171	173.4	0	0	111.6	Y40 P273 R277 W291	Y40-E275 HydrophobicContact CD1-CG 4.13Å; Y40-E275 WeakPolarHBondContact CD2-OE1 2.91Å; Y40-E275 HydrophobicContact CE1-CG 3.49Å; Y40-E275 VanDerWaalsContact CE1-CG 3.49Å; Y40-E275 HydrophobicContact CE2-CG 4.01Å; Y40-E275 WeakPolarHBondContact CE2-OE1 3.47Å; Y40-E275 WeakPolarHBondContact OH-CG 3.23Å; P273-E275 PolarHBondContact O-N 3.45Å; E275-R277 IonicContact OE2-NH2 2.73Å; E275-W291 VanDerWaalsContact O-CD1 3.26Å; E275-W291 PolarHBondContact O-NE1 3.44Å
276	F	48.9	Very low	42.7	Very low	97 Å²	97	93.5 Å²	93.5	43%	0.425	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-98.3	119.2	173.3	-175.1	-91.7	0	0	0	111.2	I278 W291 P293 N439	F276-I278 HydrophobicContact CD1-CG1 4.04Å; F276-I278 HydrophobicContact CE1-CG1 3.74Å; F276-W291 HydrophobicContact CD2-CB 3.77Å; F276-W291 HydrophobicContact CD2-CG 4.38Å; F276-W291 HydrophobicContact CE2-CB 4.06Å; F276-W291 WeakPolarHBondContact CE2-O 3.42Å; F276-P293 HydrophobicContact CE2-CB 4.2Å; F276-P293 HydrophobicContact CE2-CG 4.48Å; F276-P293 HydrophobicContact CZ-CB 4.39Å; F276-P293 HydrophobicContact CZ-CG 4.44Å; F276-N439 WeakPolarHBondContact CE2-ND2 3.12Å; F276-N439 WeakPolarHBondContact CZ-ND2 3.15Å
277	R	55.1	Low	44.1	Very low	55 Å²	55	88.3 Å²	88.3	21%	0.208	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-99.1	133.6	172.4	-62.1	-173	-178	174.1	-0.2	111.2	H39 E275 G289 F290 N439	H39-R277 PolarHBondContact CD2-NH2 3.39Å; E275-R277 IonicContact OE2-NH2 2.73Å; R277-G289 PolarHBondContact N-O 3.04Å; R277-F290 HydrophobicContact CB-CD1 4.04Å; R277-F290 HydrophobicContact CB-CE1 4.13Å; R277-F290 WeakPolarHBondContact O-CD1 3.14Å; R277-F290 WeakPolarHBondContact O-CE1 3.41Å; R277-N439 PolarHBondContact O-ND2 2.9Å
278	I	61.1	Low	45.5	Very low	35 Å²	35	85.4 Å²	85.4	18%	0.179	43%	0.425	C	S	.	.	S	Bend	trans	-86.7	-24.6	173.6	-63.1	169.2	0	0	0	111.3	P43 F276 I438 N439 L460 I483	P43-I278 HydrophobicContact CG-CD1 4.41Å; F276-I278 HydrophobicContact CD1-CG1 4.04Å; F276-I278 HydrophobicContact CE1-CG1 3.74Å; I278-I438 HydrophobicContact CG2-CG2 4.41Å; I278-I438 CarbonylContact O-C 3.44Å; I278-I438 WeakPolarHBondContact O-CA 3.39Å; I278-N439 WeakPolarHBondContact O-CB 3.45Å; I278-N439 PolarHBondContact O-N 3.09Å; I278-L460 HydrophobicContact CD1-CD2 4.38Å; I278-I483 HydrophobicContact CG2-CD1 3.46Å; I278-I483 VanDerWaalsContact CG2-CD1 3.46Å
279	A	61.5	Low	47	Very low	36 Å²	36	81.7 Å²	81.7	30%	0.298	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.8	-176.4	0	0	0	0	0	113	P435 M437 I438	A279-P435 HydrophobicContact CB-CB 3.85Å; A279-P435 HydrophobicContact CB-CG 3.47Å; A279-P435 VanDerWaalsContact CB-CG 3.47Å; A279-M437 WeakPolarHBondContact CA-O 3.28Å; A279-I438 HydrophobicContact CB-CG1 4.49Å
280	A	54.3	Low	48.7	Very low	2 Å²	2	72.9 Å²	72.9	2%	0.017	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.7	-177.2	0	0	0	0	0	111.5	E285 A286 F290 P435 A436 M437	A280-E285 HydrophobicContact CB-CB 3.88Å; A280-A286 HydrophobicContact CB-CB 3.72Å; A280-F290 HydrophobicContact CB-CE1 3.85Å; A280-F290 HydrophobicContact CB-CZ 3.7Å; A280-P435 WeakPolarHBondContact O-CB 3.27Å; A280-A436 PolarHBondContact O-N 2.82Å; A280-A436 VanDerWaalsContact O-N 3.13Å; A280-M437 HydrophobicContact CB-CE 4.42Å; A280-M437 PolarHBondContact N-O 3.4Å; A280-M437 PolarHBondContact O-N 3.42Å; A280-M437 VanDerWaalsContact O-N 3.14Å
281	G	47.5	Very low	50.6	Low	29 Å²	29	65 Å²	65	30%	0.299	32%	0.318	S	S	.	.	S	Bend	trans	-81.2	-26.5	173.9	0	0	0	0	0	112.9	E285	G281-E285 WeakPolarHBondContact CA-OE2 3.45Å; G281-E285 PolarHBondContact N-OE2 3.48Å
282	T	48.8	Very low	52.4	Low	60 Å²	60	57.1 Å²	57.1	37%	0.368	28%	0.282	S	S	.	.	S	Bend	trans	-136.7	159.7	-177.2	67.9	0	0	0	0	111.6	Y284 E285 A286 M437	T282-Y284 VanDerWaalsContact C-N 3.29Å; T282-Y284 PolarHBondContact O-N 3.21Å; T282-E285 PolarHBondContact N-OE2 2.98Å; T282-E285 PolarHBondContact O-N 3.34Å; T282-E285 VanDerWaalsContact OG1-CD 3.23Å; T282-E285 VanDerWaalsContact OG1-CG 3.28Å; T282-E285 WeakPolarHBondContact OG1-CG 3.35Å; T282-E285 PolarHBondContact OG1-N 3.35Å; T282-E285 PolarHBondContact OG1-OE1 2.8Å; T282-A286 PolarHBondContact O-N 3.29Å; T282-A286 VanDerWaalsContact O-N 3.12Å; T282-M437 WeakPolarHBondContact O-CE 3.37Å
283	I	53.3	Low	54.2	Low	53 Å²	53	51.5 Å²	51.5	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-67.7	-33.8	-177.9	-169.1	165	0	0	0	111.2	A286 L287 L374 M437	I283-A286 WeakPolarHBondContact O-CB 3.35Å; I283-A286 PolarHBondContact O-N 2.96Å; I283-A286 VanDerWaalsContact O-N 3.13Å; I283-L287 HydrophobicContact CG1-CD1 4.27Å; I283-L287 HydrophobicContact CG1-CG 4.21Å; I283-L287 VanDerWaalsContact O-CG 3.3Å; I283-L287 WeakPolarHBondContact O-CG 3.24Å; I283-L287 PolarHBondContact O-N 2.03Å; I283-L374 HydrophobicContact CD1-CD1 3.84Å; I283-M437 HydrophobicContact CB-CE 4.24Å; I283-M437 HydrophobicContact CB-SD 4.38Å; I283-M437 VanDerWaalsContact N-CE 3.3Å
284	Y	52.4	Low	55.7	Low	120 Å²	120	47.9 Å²	47.9	47%	0.471	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-46.4	175.8	-60.9	-69.9	0	0	0	111.3	T282 A286 L287 E288 I305	T282-Y284 VanDerWaalsContact C-N 3.29Å; T282-Y284 PolarHBondContact O-N 3.21Å; Y284-A286 VanDerWaalsContact C-N 3.27Å; Y284-A286 PolarHBondContact O-N 2.86Å; Y284-L287 PolarHBondContact O-N 2.03Å; Y284-E288 WeakPolarHBondContact O-CB 3.39Å; Y284-E288 PolarHBondContact O-N 2.81Å; Y284-I305 HydrophobicContact CD1-CD1 4.05Å; Y284-I305 HydrophobicContact CG-CD1 4.46Å; Y284-I305 WeakPolarHBondContact O-CD1 3.45Å
285	E	53.5	Low	56.8	Low	70 Å²	70	43 Å²	43	33%	0.327	22%	0.224	S	C	.	.	H	α-helix	trans	-60.1	-36.6	173	-73.3	160.8	-138.7	0	0	112.6	A280 G281 T282 G289	A280-E285 HydrophobicContact CB-CB 3.88Å; G281-E285 WeakPolarHBondContact CA-OE2 3.45Å; G281-E285 PolarHBondContact N-OE2 3.48Å; T282-E285 PolarHBondContact N-OE2 2.98Å; T282-E285 PolarHBondContact O-N 3.34Å; T282-E285 VanDerWaalsContact OG1-CD 3.23Å; T282-E285 VanDerWaalsContact OG1-CG 3.28Å; T282-E285 WeakPolarHBondContact OG1-CG 3.35Å; T282-E285 PolarHBondContact OG1-N 3.35Å; T282-E285 PolarHBondContact OG1-OE1 2.8Å; E285-G289 PolarHBondContact O-N 2.86Å
286	A	56.3	Low	57.8	Low	4 Å²	4	42 Å²	42	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-68.7	-48	178	0	0	0	0	0	111.2	A280 T282 I283 Y284 E288 G289 F290 M437	A280-A286 HydrophobicContact CB-CB 3.72Å; T282-A286 PolarHBondContact O-N 3.29Å; T282-A286 VanDerWaalsContact O-N 3.12Å; I283-A286 WeakPolarHBondContact O-CB 3.35Å; I283-A286 PolarHBondContact O-N 2.96Å; I283-A286 VanDerWaalsContact O-N 3.13Å; Y284-A286 VanDerWaalsContact C-N 3.27Å; Y284-A286 PolarHBondContact O-N 2.86Å; A286-E288 VanDerWaalsContact C-N 3.29Å; A286-E288 PolarHBondContact O-N 2.83Å; A286-G289 PolarHBondContact O-N 2.88Å; A286-F290 HydrophobicContact CB-CD2 3.8Å; A286-F290 HydrophobicContact CB-CE1 4.44Å; A286-F290 HydrophobicContact CB-CE2 3.7Å; A286-F290 HydrophobicContact CB-CG 4.24Å; A286-F290 HydrophobicContact CB-CZ 4.04Å; A286-F290 WeakPolarHBondContact O-CA 3.03Å; A286-F290 WeakPolarHBondContact O-CB 3.3Å; A286-F290 VanDerWaalsContact O-CG 3.27Å; A286-F290 WeakPolarHBondContact O-CG 3.43Å; A286-F290 PolarHBondContact O-N 2.85Å; A286-M437 HydrophobicContact CB-CE 4.16Å; A286-M437 HydrophobicContact CB-SD 4.19Å
287	L	57.4	Low	58.6	Low	35 Å²	35	42.8 Å²	42.8	18%	0.183	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-35.7	-179.3	-66.7	176.7	0	0	0	112.4	I283 Y284 M299 I300 L303	I283-L287 HydrophobicContact CG1-CD1 4.27Å; I283-L287 HydrophobicContact CG1-CG 4.21Å; I283-L287 VanDerWaalsContact O-CG 3.3Å; I283-L287 WeakPolarHBondContact O-CG 3.24Å; I283-L287 PolarHBondContact O-N 2.03Å; Y284-L287 PolarHBondContact O-N 2.03Å; L287-M299 HydrophobicContact CD2-CG 4.4Å; L287-M299 HydrophobicContact CD2-SD 3.97Å; L287-I300 HydrophobicContact CD1-CD1 4.23Å; L287-I300 HydrophobicContact CD2-CD1 3.63Å; L287-I300 HydrophobicContact CD2-CG1 4.06Å; L287-I300 HydrophobicContact CG-CD1 4.39Å; L287-L303 HydrophobicContact CB-CD2 3.46Å; L287-L303 VanDerWaalsContact CB-CD2 3.46Å; L287-L303 HydrophobicContact CD1-CD2 3.89Å; L287-L303 HydrophobicContact CG-CD2 4.27Å
288	E	58.1	Low	58.8	Low	68 Å²	68	43.3 Å²	43.3	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-76.5	-40.1	179.2	-175.7	174.1	-146.2	0	0	112.9	Y284 A286 I305	Y284-E288 WeakPolarHBondContact O-CB 3.39Å; Y284-E288 PolarHBondContact O-N 2.81Å; A286-E288 VanDerWaalsContact C-N 3.29Å; A286-E288 PolarHBondContact O-N 2.83Å; E288-I305 HydrophobicContact CB-CD1 4.18Å
289	G	60.6	Low	58.7	Low	4 Å²	4	43.9 Å²	43.9	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-106.5	-12.9	-169.5	0	0	0	0	0	116.1	R277 E285 A286	R277-G289 PolarHBondContact N-O 3.04Å; E285-G289 PolarHBondContact O-N 2.86Å; A286-G289 PolarHBondContact O-N 2.88Å
290	F	63.7	Low	58.6	Low	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.239	C	C	.	.			trans	-86.5	127.7	178.1	-67.8	-0.1	0	0	0	110.2	R277 A280 A286 M299 V426 M437 N439	R277-F290 HydrophobicContact CB-CD1 4.04Å; R277-F290 HydrophobicContact CB-CE1 4.13Å; R277-F290 WeakPolarHBondContact O-CD1 3.14Å; R277-F290 WeakPolarHBondContact O-CE1 3.41Å; A280-F290 HydrophobicContact CB-CE1 3.85Å; A280-F290 HydrophobicContact CB-CZ 3.7Å; A286-F290 HydrophobicContact CB-CD2 3.8Å; A286-F290 HydrophobicContact CB-CE1 4.44Å; A286-F290 HydrophobicContact CB-CE2 3.7Å; A286-F290 HydrophobicContact CB-CG 4.24Å; A286-F290 HydrophobicContact CB-CZ 4.04Å; A286-F290 WeakPolarHBondContact O-CA 3.03Å; A286-F290 WeakPolarHBondContact O-CB 3.3Å; A286-F290 VanDerWaalsContact O-CG 3.27Å; A286-F290 WeakPolarHBondContact O-CG 3.43Å; A286-F290 PolarHBondContact O-N 2.85Å; F290-M299 HydrophobicContact CB-CB 4.5Å; F290-M299 WeakPolarHBondContact O-CB 3.49Å; F290-M299 PolarHBondContact O-N 3.41Å; F290-V426 HydrophobicContact CD2-CG2 4.04Å; F290-V426 HydrophobicContact CE2-CG1 4.24Å; F290-V426 HydrophobicContact CE2-CG2 4.25Å; F290-M437 HydrophobicContact CE2-CB 4.27Å; F290-M437 HydrophobicContact CZ-CB 4.4Å; F290-N439 HydrophobicContact CD1-CB 4.16Å; F290-N439 HydrophobicContact CD2-CB 4.02Å; F290-N439 HydrophobicContact CE1-CB 4.15Å; F290-N439 HydrophobicContact CE2-CB 4.01Å; F290-N439 HydrophobicContact CG-CB 4.1Å; F290-N439 HydrophobicContact CZ-CB 4.08Å
291	W	66	Low	58.5	Low	37 Å²	37	49 Å²	49	14%	0.14	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-114.5	157.5	170.6	-58.8	65.3	0	0	0	109.4	R274 E275 F276 P293 G296 E297 K298 W424 N439	R274-W291 HydrophobicContact CB-CH2 3.91Å; R274-W291 HydrophobicContact CB-CZ2 3.76Å; R274-W291 HydrophobicContact CB-CZ3 4.4Å; R274-W291 HydrophobicContact CG-CH2 3.54Å; R274-W291 HydrophobicContact CG-CZ2 3.9Å; R274-W291 HydrophobicContact CG-CZ3 4.04Å; E275-W291 VanDerWaalsContact O-CD1 3.26Å; E275-W291 PolarHBondContact O-NE1 3.44Å; F276-W291 HydrophobicContact CD2-CB 3.77Å; F276-W291 HydrophobicContact CD2-CG 4.38Å; F276-W291 HydrophobicContact CE2-CB 4.06Å; F276-W291 WeakPolarHBondContact CE2-O 3.42Å; W291-P293 VanDerWaalsContact O-CD 3.26Å; W291-P293 WeakPolarHBondContact O-CD 3.2Å; W291-G296 WeakPolarHBondContact CZ3-O 3.44Å; W291-E297 CarbonylContact C-O 3.54Å; W291-E297 VanDerWaalsContact CA-O 3.32Å; W291-E297 WeakPolarHBondContact CA-O 2.95Å; W291-E297 WeakPolarHBondContact CB-O 2.92Å; W291-K298 HydrophobicContact CD2-CB 4.4Å; W291-K298 HydrophobicContact CD2-CG 3.62Å; W291-K298 HydrophobicContact CE3-CB 4.42Å; W291-K298 HydrophobicContact CE3-CG 3.84Å; W291-K298 VanDerWaalsContact CE3-N 3.26Å; W291-K298 HydrophobicContact CG-CG 4.33Å; W291-K298 HydrophobicContact CH2-CD 4.31Å; W291-K298 HydrophobicContact CH2-CG 3.61Å; W291-K298 HydrophobicContact CZ2-CD 3.97Å; W291-K298 HydrophobicContact CZ2-CG 3.41Å; W291-K298 VanDerWaalsContact CZ2-CG 3.41Å; W291-K298 HydrophobicContact CZ3-CG 3.82Å; W291-W424 PolarHBondContact O-NE1 2.96Å; W291-N439 PolarHBondContact O-ND2 2.87Å; W291-N439 VanDerWaalsContact O-ND2 3.15Å
292	N	64.7	Low	59	Low	7 Å²	7	54.8 Å²	54.8	4%	0.037	29%	0.29	C	S	.	.			trans	-78.4	109	167.9	-171	-12.4	0	0	0	108.5	L294 T295 G296 E297 T403 W424	N292-L294 PolarHBondContact O-N 2.74Å; N292-L294 VanDerWaalsContact OD1-CB 3.24Å; N292-L294 WeakPolarHBondContact OD1-CB 3.23Å; N292-L294 PolarHBondContact OD1-N 3.18Å; N292-T295 WeakPolarHBondContact CB-OG1 3.5Å; N292-T295 WeakPolarHBondContact ND2-CG2 3.41Å; N292-T295 PolarHBondContact ND2-OG1 3.11Å; N292-T295 VanDerWaalsContact ND2-OG1 3.16Å; N292-T295 PolarHBondContact O-N 2.82Å; N292-G296 VanDerWaalsContact O-CA 3.28Å; N292-G296 WeakPolarHBondContact O-CA 3.42Å; N292-G296 PolarHBondContact O-N 3.42Å; N292-E297 PolarHBondContact N-O 2.86Å; N292-T403 PolarHBondContact ND2-OG1 3.39Å; N292-W424 HydrophobicContact CB-CD2 3.92Å; N292-W424 HydrophobicContact CB-CE3 3.72Å; N292-W424 HydrophobicContact CB-CH2 4.04Å; N292-W424 HydrophobicContact CB-CZ2 4.24Å; N292-W424 HydrophobicContact CB-CZ3 3.78Å
293	P	64.1	Low	58.7	Low	57 Å²	57	54.5 Å²	54.5	37%	0.37	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-11.1	177.5	31.2	-33.9	0	0	0	112.5	F276 W291 W424 I441	F276-P293 HydrophobicContact CE2-CB 4.2Å; F276-P293 HydrophobicContact CE2-CG 4.48Å; F276-P293 HydrophobicContact CZ-CB 4.39Å; F276-P293 HydrophobicContact CZ-CG 4.44Å; W291-P293 VanDerWaalsContact O-CD 3.26Å; W291-P293 WeakPolarHBondContact O-CD 3.2Å; P293-W424 HydrophobicContact CG-CG 4.33Å; P293-I441 HydrophobicContact CB-CD1 3.92Å; P293-I441 HydrophobicContact CG-CD1 3.32Å; P293-I441 HydrophobicContact CG-CG1 3.63Å
294	L	60.6	Low	58.5	Low	16 Å²	16	59 Å²	59	8%	0.084	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-41.7	176.5	-51.6	-179.5	0	0	0	111.7	N292 E405 R422 W424	N292-L294 PolarHBondContact O-N 2.74Å; N292-L294 VanDerWaalsContact OD1-CB 3.24Å; N292-L294 WeakPolarHBondContact OD1-CB 3.23Å; N292-L294 PolarHBondContact OD1-N 3.18Å; L294-E405 HydrophobicContact CD1-CG 4.27Å; L294-R422 HydrophobicContact CD1-CG 4.47Å; L294-R422 HydrophobicContact CD2-CG 4.05Å; L294-W424 HydrophobicContact CD1-CB 3.8Å; L294-W424 HydrophobicContact CG-CB 4.02Å
295	T	62.3	Low	57.9	Low	65 Å²	65	55 Å²	55	40%	0.399	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-16.9	-177.6	67.3	0	0	0	0	113.7	N292 E297	N292-T295 WeakPolarHBondContact CB-OG1 3.5Å; N292-T295 WeakPolarHBondContact ND2-CG2 3.41Å; N292-T295 PolarHBondContact ND2-OG1 3.11Å; N292-T295 VanDerWaalsContact ND2-OG1 3.16Å; N292-T295 PolarHBondContact O-N 2.82Å; T295-E297 VanDerWaalsContact C-N 3.26Å; T295-E297 WeakPolarHBondContact OG1-CB 3.35Å; T295-E297 PolarHBondContact OG1-N 2.96Å; T295-E297 PolarHBondContact OG1-OE2 2.81Å
296	G	64.8	Low	57.1	Low	31 Å²	31	59 Å²	59	32%	0.32	31%	0.314	S	S	.	.			trans	73.8	15.1	-174.6	0	0	0	0	0	114.1	R274 W291 N292	R274-G296 PolarHBondContact NH1-O 2.93Å; R274-G296 VanDerWaalsContact NH1-O 3.12Å; W291-G296 WeakPolarHBondContact CZ3-O 3.44Å; N292-G296 VanDerWaalsContact O-CA 3.28Å; N292-G296 WeakPolarHBondContact O-CA 3.42Å; N292-G296 PolarHBondContact O-N 3.42Å
297	E	63.9	Low	55.9	Low	115 Å²	115	65.2 Å²	65.2	54%	0.537	34%	0.342	S	S	.	.			trans	-101.8	151.1	-178.1	-63.1	169	150	0	0	111.5	W291 N292 T295	W291-E297 CarbonylContact C-O 3.54Å; W291-E297 VanDerWaalsContact CA-O 3.32Å; W291-E297 WeakPolarHBondContact CA-O 2.95Å; W291-E297 WeakPolarHBondContact CB-O 2.92Å; N292-E297 PolarHBondContact N-O 2.86Å; T295-E297 VanDerWaalsContact C-N 3.26Å; T295-E297 WeakPolarHBondContact OG1-CB 3.35Å; T295-E297 PolarHBondContact OG1-N 2.96Å; T295-E297 PolarHBondContact OG1-OE2 2.81Å
298	K	60	Low	54.5	Low	65 Å²	65	70.6 Å²	70.6	28%	0.283	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-63.2	153.2	171.3	-79.9	-171.6	177.5	-177.2	0	110.2	W291 I300	W291-K298 HydrophobicContact CD2-CB 4.4Å; W291-K298 HydrophobicContact CD2-CG 3.62Å; W291-K298 HydrophobicContact CE3-CB 4.42Å; W291-K298 HydrophobicContact CE3-CG 3.84Å; W291-K298 VanDerWaalsContact CE3-N 3.26Å; W291-K298 HydrophobicContact CG-CG 4.33Å; W291-K298 HydrophobicContact CH2-CD 4.31Å; W291-K298 HydrophobicContact CH2-CG 3.61Å; W291-K298 HydrophobicContact CZ2-CD 3.97Å; W291-K298 HydrophobicContact CZ2-CG 3.41Å; W291-K298 VanDerWaalsContact CZ2-CG 3.41Å; W291-K298 HydrophobicContact CZ3-CG 3.82Å; K298-I300 PolarHBondContact O-N 3.28Å
299	M	59.3	Low	53	Low	48 Å²	48	73 Å²	73	24%	0.236	39%	0.386	C	S	.	.	S	Bend	trans	-54.2	-36.5	171.5	-172.1	173.3	-162.4	0	0	111.8	L287 F290 M402 W424 V426	L287-M299 HydrophobicContact CD2-CG 4.4Å; L287-M299 HydrophobicContact CD2-SD 3.97Å; F290-M299 HydrophobicContact CB-CB 4.5Å; F290-M299 WeakPolarHBondContact O-CB 3.49Å; F290-M299 PolarHBondContact O-N 3.41Å; M299-M402 HydrophobicContact CE-CE 3.52Å; M299-M402 HydrophobicContact CE-CG 4.27Å; M299-M402 HydrophobicContact CE-SD 3.9Å; M299-W424 HydrophobicContact CB-CH2 4.06Å; M299-W424 HydrophobicContact CB-CZ2 4.43Å; M299-W424 HydrophobicContact CG-CH2 3.96Å; M299-V426 HydrophobicContact CE-CG2 3.96Å; M299-V426 HydrophobicContact SD-CG2 4.45Å
300	I	58.3	Low	51.3	Low	56 Å²	56	82.8 Å²	82.8	29%	0.287	43%	0.427	S	S	.	.	S	Bend	trans	-132.4	108.1	167	-54.5	-176.7	0	0	0	108.1	L287 K298 D302 L303	L287-I300 HydrophobicContact CD1-CD1 4.23Å; L287-I300 HydrophobicContact CD2-CD1 3.63Å; L287-I300 HydrophobicContact CD2-CG1 4.06Å; L287-I300 HydrophobicContact CG-CD1 4.39Å; K298-I300 PolarHBondContact O-N 3.28Å; I300-D302 VanDerWaalsContact C-N 3.32Å; I300-D302 PolarHBondContact O-N 3.31Å; I300-L303 HydrophobicContact CB-CB 3.88Å; I300-L303 HydrophobicContact CD1-CD2 4.39Å; I300-L303 HydrophobicContact CG2-CB 3.75Å; I300-L303 PolarHBondContact O-N 3.49Å
301	P	53.5	Low	49.4	Very low	88 Å²	88	88.3 Å²	88.3	57%	0.571	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-39.3	-173.8	-24.9	32.6	0	0	0	114.4
302	D	56.7	Low	47.6	Very low	151 Å²	151	94.7 Å²	94.7	81%	0.807	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	11.6	-169.6	-57.8	-42.3	0	0	0	113.8	I300 I304	I300-D302 VanDerWaalsContact C-N 3.32Å; I300-D302 PolarHBondContact O-N 3.31Å; D302-I304 PolarHBondContact O-N 2.94Å
303	L	43.7	Very low	45.8	Very low	55 Å²	55	97.5 Å²	97.5	29%	0.288	53%	0.528	S	S	.	.			trans	-80.8	110.8	-177.5	-169.7	73.8	0	0	0	111.6	L287 I300 I305	L287-L303 HydrophobicContact CB-CD2 3.46Å; L287-L303 VanDerWaalsContact CB-CD2 3.46Å; L287-L303 HydrophobicContact CD1-CD2 3.89Å; L287-L303 HydrophobicContact CG-CD2 4.27Å; I300-L303 HydrophobicContact CB-CB 3.88Å; I300-L303 HydrophobicContact CD1-CD2 4.39Å; I300-L303 HydrophobicContact CG2-CB 3.75Å; I300-L303 PolarHBondContact O-N 3.49Å; L303-I305 HydrophobicContact CD2-CD1 3.88Å; L303-I305 HydrophobicContact CD2-CG1 3.81Å; L303-I305 HydrophobicContact CG-CG1 3.9Å
304	I	49.2	Very low	44	Very low	147 Å²	147	103 Å²	103	75%	0.754	55%	0.554	S	S	*	*			trans	-107.3	106.4	168	-56.8	175.2	0	0	0	108.2	D302 Q306	D302-I304 PolarHBondContact O-N 2.94Å; I304-Q306 PolarHBondContact O-N 2.91Å
305	I	40.2	Very low	42.5	Very low	35 Å²	35	110.2 Å²	110.2	18%	0.179	59%	0.589	C	S	.	*			trans	-84.9	96.8	177.7	-54.3	178.3	0	0	0	108.6	Y284 E288 L303 H307	Y284-I305 HydrophobicContact CD1-CD1 4.05Å; Y284-I305 HydrophobicContact CG-CD1 4.46Å; Y284-I305 WeakPolarHBondContact O-CD1 3.45Å; E288-I305 HydrophobicContact CB-CD1 4.18Å; L303-I305 HydrophobicContact CD2-CD1 3.88Å; L303-I305 HydrophobicContact CD2-CG1 3.81Å; L303-I305 HydrophobicContact CG-CG1 3.9Å; I305-H307 PolarHBondContact O-N 3.29Å; I305-H307 VanDerWaalsContact O-N 3.1Å; I305-H307 PolarHBondContact O-ND1 3.37Å; I305-H307 VanDerWaalsContact O-ND1 3.09Å
306	Q	35.1	Very low	41.3	Very low	155 Å²	155	115.4 Å²	115.4	72%	0.724	61%	0.609	S	S	*	*			trans	-69.5	107.8	168.2	-69.6	-173.6	-14.5	0	0	108.8	I304 E308	I304-Q306 PolarHBondContact O-N 2.91Å; Q306-E308 PolarHBondContact O-N 3.07Å
307	H	31.5	Very low	39.9	Very low	134 Å²	134	121.1 Å²	121.1	62%	0.62	63%	0.632	S	S	*	*			trans	-72.8	68.9	172.3	-70.3	67.1	0	0	0	108.8	I305 V309	I305-H307 PolarHBondContact O-N 3.29Å; I305-H307 VanDerWaalsContact O-N 3.1Å; I305-H307 PolarHBondContact O-ND1 3.37Å; I305-H307 VanDerWaalsContact O-ND1 3.09Å; H307-V309 PolarHBondContact O-N 3.39Å
308	E	28.6	Very low	38.4	Very low	148 Å²	148	122.4 Å²	122.4	69%	0.692	65%	0.648	S	S	*	*			trans	-66.2	105.8	163.6	-78.2	-169.1	157.6	0	0	106.8	Q306 F310	Q306-E308 PolarHBondContact O-N 3.07Å; E308-F310 WeakPolarHBondContact O-CD2 3.27Å; E308-F310 PolarHBondContact O-N 2.75Å
309	V	25.6	Very low	37.5	Very low	120 Å²	120	123 Å²	123	73%	0.727	66%	0.657	S	S	*	*			trans	-50.6	105.1	173.4	179.6	0	0	0	0	106.5	H307 T311	H307-V309 PolarHBondContact O-N 3.39Å; V309-T311 HydrophobicContact CG1-CG2 4.13Å; V309-T311 PolarHBondContact O-N 3.36Å
310	F	25.9	Very low	36.6	Very low	208 Å²	208	124.6 Å²	124.6	91%	0.912	67%	0.667	S	S	*	*			trans	-64.2	78.7	170.3	-78.3	-92.6	0	0	0	107.9	E308 D312	E308-F310 WeakPolarHBondContact O-CD2 3.27Å; E308-F310 PolarHBondContact O-N 2.75Å; F310-D312 PolarHBondContact O-N 2.96Å
311	T	24.1	Very low	35.4	Very low	116 Å²	116	128.7 Å²	128.7	71%	0.712	69%	0.688	S	S	*	*			trans	-71.6	116.2	154.8	47.4	0	0	0	0	106.2	V309 G313	V309-T311 HydrophobicContact CG1-CG2 4.13Å; V309-T311 PolarHBondContact O-N 3.36Å; T311-G313 PolarHBondContact O-N 3.22Å
312	D	27	Very low	34.6	Very low	172 Å²	172	129.8 Å²	129.8	92%	0.92	69%	0.686	S	S	*	*	S	Bend	trans	-35.4	118.9	178.7	-70.3	-47.7	0	0	0	113.1	F310	F310-D312 PolarHBondContact O-N 2.96Å
313	G	28.4	Very low	33.8	Very low	65 Å²	65	127 Å²	127	67%	0.67	67%	0.674	S	S	*	*			trans	113.3	77.3	159.9	0	0	0	0	0	116.5	T311	T311-G313 PolarHBondContact O-N 3.22Å
314	L	25.8	Very low	33.4	Very low	172 Å²	172	128.1 Å²	128.1	90%	0.901	68%	0.68	S	S	*	*			trans	-167.5	90.1	153.3	-101.7	133	0	0	0	107.8
315	M	28.8	Very low	32.8	Very low	168 Å²	168	127.5 Å²	127.5	83%	0.828	67%	0.668	S	S	*	*				51.8	102.4	91.2	-73.4	-90.5	-116.4	0	0	114.2
316	E	36.6	Very low	32.9	Very low	175 Å²	175	129.4 Å²	129.4	82%	0.818	68%	0.679	S	S	*	*	S	Bend	trans	25	100.7	147.6	-62.5	178.8	165.8	0	0	118.3
317	N	35.8	Very low	33.3	Very low	151 Å²	151	124.6 Å²	124.6	81%	0.807	67%	0.665	S	S	*	*				170.4	0.3	124.4	-96.4	-30.1	0	0	0	116.5	T319	N317-T319 VanDerWaalsContact C-N 3.31Å; N317-T319 PolarHBondContact O-N 2.94Å
318	T	33.4	Very low	33.6	Very low	142 Å²	142	126 Å²	126	87%	0.871	67%	0.665	S	S	*	*			trans	-95.1	55.1	179.8	47.9	0	0	0	0	112.1	N320	T318-N320 VanDerWaalsContact C-N 3.31Å; T318-N320 PolarHBondContact O-N 3.5Å
319	T	39.8	Very low	34.3	Very low	76 Å²	76	122.8 Å²	122.8	47%	0.466	65%	0.652	S	S	.	*			trans	-77.8	91.5	164.8	-24.7	0	0	0	0	107.3	N317 L321 L324	N317-T319 VanDerWaalsContact C-N 3.31Å; N317-T319 PolarHBondContact O-N 2.94Å; T319-L321 PolarHBondContact O-N 3.26Å; T319-L324 HydrophobicContact CG2-CD1 3.56Å; T319-L324 HydrophobicContact CG2-CD2 4.48Å; T319-L324 HydrophobicContact CG2-CG 3.98Å
320	N	40	Very low	35.3	Very low	83 Å²	83	121.1 Å²	121.1	44%	0.444	64%	0.639	S	S	.	*			trans	-56.4	112.7	173.3	-174.7	-12.3	0	0	0	108.2	T318 E322 V323 L324	T318-N320 VanDerWaalsContact C-N 3.31Å; T318-N320 PolarHBondContact O-N 3.5Å; N320-E322 PolarHBondContact O-N 3.23Å; N320-E322 WeakPolarHBondContact OD1-CB 2.97Å; N320-E322 PolarHBondContact OD1-N 3.18Å; N320-V323 HydrophobicContact CB-CG2 4.05Å; N320-V323 PolarHBondContact O-N 3.15Å; N320-V323 VanDerWaalsContact O-N 3.14Å; N320-L324 PolarHBondContact O-N 3.25Å
321	L	34.5	Very low	36.1	Very low	141 Å²	141	114.5 Å²	114.5	74%	0.738	61%	0.612	S	S	*	*	H	α-helix	trans	-58.8	-27.4	-178.9	-82.2	159.7	0	0	0	111.7	T319 L324 R325	T319-L321 PolarHBondContact O-N 3.26Å; L321-L324 PolarHBondContact O-N 3.42Å; L321-R325 WeakPolarHBondContact O-CB 3.44Å; L321-R325 PolarHBondContact O-N 3.24Å
322	E	36.5	Very low	36.7	Very low	112 Å²	112	112.3 Å²	112.3	52%	0.523	60%	0.595	S	S	.	*	H	α-helix	trans	-67.2	-44	176.7	-63.1	177.9	155.4	0	0	111.1	N320 L324 R325 D326	N320-E322 PolarHBondContact O-N 3.23Å; N320-E322 WeakPolarHBondContact OD1-CB 2.97Å; N320-E322 PolarHBondContact OD1-N 3.18Å; E322-L324 VanDerWaalsContact C-N 3.29Å; E322-L324 PolarHBondContact O-N 3.03Å; E322-R325 CarbonylContact O-C 3.58Å; E322-R325 WeakPolarHBondContact O-CB 3.02Å; E322-R325 PolarHBondContact O-N 2.69Å; E322-R325 VanDerWaalsContact O-N 3.11Å; E322-D326 WeakPolarHBondContact O-CB 3.39Å; E322-D326 PolarHBondContact O-N 2.96Å
323	V	40.1	Very low	37.5	Very low	91 Å²	91	111.7 Å²	111.7	55%	0.552	59%	0.587	S	S	*	*	H	α-helix	trans	-64.5	-36.4	176.5	179.8	0	0	0	0	111.4	N320 A327	N320-V323 HydrophobicContact CB-CG2 4.05Å; N320-V323 PolarHBondContact O-N 3.15Å; N320-V323 VanDerWaalsContact O-N 3.14Å; V323-A327 VanDerWaalsContact O-CB 3.3Å; V323-A327 WeakPolarHBondContact O-CB 3.31Å; V323-A327 PolarHBondContact O-N 3.2Å
324	L	35.6	Very low	38.3	Very low	79 Å²	79	113.4 Å²	113.4	41%	0.414	58%	0.58	S	S	.	*	H	α-helix	trans	-67.5	-41.8	172.8	-80.3	172.8	0	0	0	111.7	T319 N320 L321 E322 W328	T319-L324 HydrophobicContact CG2-CD1 3.56Å; T319-L324 HydrophobicContact CG2-CD2 4.48Å; T319-L324 HydrophobicContact CG2-CG 3.98Å; N320-L324 PolarHBondContact O-N 3.25Å; L321-L324 PolarHBondContact O-N 3.42Å; E322-L324 VanDerWaalsContact C-N 3.29Å; E322-L324 PolarHBondContact O-N 3.03Å; L324-W328 WeakPolarHBondContact O-CB 3.44Å; L324-W328 PolarHBondContact O-N 3.05Å
325	R	35.7	Very low	39.1	Very low	134 Å²	134	112.5 Å²	112.5	51%	0.506	57%	0.571	S	S	.	*	H	α-helix	trans	-61.3	-45.6	176	-175.3	-165.2	69.7	-166.8	-1.5	110.5	L321 E322 W328 L329	L321-R325 WeakPolarHBondContact O-CB 3.44Å; L321-R325 PolarHBondContact O-N 3.24Å; E322-R325 CarbonylContact O-C 3.58Å; E322-R325 WeakPolarHBondContact O-CB 3.02Å; E322-R325 PolarHBondContact O-N 2.69Å; E322-R325 VanDerWaalsContact O-N 3.11Å; R325-W328 CarbonylContact O-C 3.54Å; R325-W328 WeakPolarHBondContact O-CB 3.42Å; R325-W328 PolarHBondContact O-N 3.04Å; R325-L329 HydrophobicContact CG-CD1 4.1Å; R325-L329 HydrophobicContact CG-CG 4.41Å; R325-L329 WeakPolarHBondContact O-CB 3.38Å; R325-L329 VanDerWaalsContact O-CG 3.31Å; R325-L329 WeakPolarHBondContact O-CG 3.17Å; R325-L329 PolarHBondContact O-N 2.89Å
326	D	41.6	Very low	39.8	Very low	76 Å²	76	106.9 Å²	106.9	41%	0.406	55%	0.545	S	S	.	.	H	α-helix	trans	-73.8	-36.3	-175.1	-59.9	-13.7	0	0	0	111.4	E322 W328 L329 L330	E322-D326 WeakPolarHBondContact O-CB 3.39Å; E322-D326 PolarHBondContact O-N 2.96Å; D326-W328 VanDerWaalsContact C-N 3.3Å; D326-W328 PolarHBondContact O-N 2.75Å; D326-L329 PolarHBondContact O-N 2.95Å; D326-L330 WeakPolarHBondContact O-CB 3.32Å; D326-L330 PolarHBondContact O-N 3.41Å
327	A	44.6	Very low	39.8	Very low	53 Å²	53	101.2 Å²	101.2	44%	0.438	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-34.7	169	0	0	0	0	0	112.3	V323 M331	V323-A327 VanDerWaalsContact O-CB 3.3Å; V323-A327 WeakPolarHBondContact O-CB 3.31Å; V323-A327 PolarHBondContact O-N 3.2Å; A327-M331 WeakPolarHBondContact O-CG 2.87Å; A327-M331 PolarHBondContact O-N 2.79Å
328	W	38.4	Very low	39.8	Very low	164 Å²	164	100.6 Å²	100.6	62%	0.621	52%	0.524	S	S	*	.	H	α-helix	trans	-73.7	-39.6	176.5	-165.4	68	0	0	0	112	L324 R325 D326 L330 M331 D332	L324-W328 WeakPolarHBondContact O-CB 3.44Å; L324-W328 PolarHBondContact O-N 3.05Å; R325-W328 CarbonylContact O-C 3.54Å; R325-W328 WeakPolarHBondContact O-CB 3.42Å; R325-W328 PolarHBondContact O-N 3.04Å; D326-W328 VanDerWaalsContact C-N 3.3Å; D326-W328 PolarHBondContact O-N 2.75Å; W328-L330 VanDerWaalsContact C-N 3.33Å; W328-M331 CarbonylContact O-C 3.58Å; W328-M331 WeakPolarHBondContact O-CB 3.42Å; W328-M331 PolarHBondContact O-N 2.85Å; W328-M331 VanDerWaalsContact O-N 3.13Å; W328-D332 WeakPolarHBondContact O-CB 3.32Å; W328-D332 PolarHBondContact O-N 2.89Å
329	L	41.7	Very low	40	Very low	81 Å²	81	95.6 Å²	95.6	42%	0.424	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-43.7	170.3	-75.6	169.9	0	0	0	110.4	R325 D326 M331 D332 E333	R325-L329 HydrophobicContact CG-CD1 4.1Å; R325-L329 HydrophobicContact CG-CG 4.41Å; R325-L329 WeakPolarHBondContact O-CB 3.38Å; R325-L329 VanDerWaalsContact O-CG 3.31Å; R325-L329 WeakPolarHBondContact O-CG 3.17Å; R325-L329 PolarHBondContact O-N 2.89Å; D326-L329 PolarHBondContact O-N 2.95Å; L329-M331 VanDerWaalsContact C-N 3.29Å; L329-M331 PolarHBondContact O-N 3.48Å; L329-D332 PolarHBondContact O-N 2.84Å; L329-E333 WeakPolarHBondContact O-CB 3.48Å; L329-E333 PolarHBondContact O-N 3.05Å
330	L	46.8	Very low	39.8	Very low	84 Å²	84	95.5 Å²	95.5	44%	0.44	49%	0.494	S	S	.	.	H	α-helix	trans	-59.5	-41.9	173.5	-163.4	83.8	0	0	0	111.1	D326 W328 L334	D326-L330 WeakPolarHBondContact O-CB 3.32Å; D326-L330 PolarHBondContact O-N 3.41Å; W328-L330 VanDerWaalsContact C-N 3.33Å; L330-L334 HydrophobicContact CD2-CD1 4.49Å; L330-L334 HydrophobicContact CG-CD1 4.12Å; L330-L334 WeakPolarHBondContact O-CB 3.43Å; L330-L334 VanDerWaalsContact O-CD1 3.31Å; L330-L334 WeakPolarHBondContact O-CD1 3.42Å; L330-L334 WeakPolarHBondContact O-CG 3.48Å; L330-L334 PolarHBondContact O-N 3.01Å
331	M	42.3	Very low	39.9	Very low	70 Å²	70	95.9 Å²	95.9	35%	0.345	49%	0.49	S	S	.	.	H	α-helix	trans	-67.5	-36.4	177.1	-69.7	-97.9	-68.9	0	0	112.9	A327 W328 L329 E335 L336 I373	A327-M331 WeakPolarHBondContact O-CG 2.87Å; A327-M331 PolarHBondContact O-N 2.79Å; W328-M331 CarbonylContact O-C 3.58Å; W328-M331 WeakPolarHBondContact O-CB 3.42Å; W328-M331 PolarHBondContact O-N 2.85Å; W328-M331 VanDerWaalsContact O-N 3.13Å; L329-M331 VanDerWaalsContact C-N 3.29Å; L329-M331 PolarHBondContact O-N 3.48Å; M331-E335 PolarHBondContact O-N 2.92Å; M331-L336 WeakPolarHBondContact O-CB 3.32Å; M331-L336 PolarHBondContact O-N 3.37Å; M331-L336 HydrophobicContact SD-CB 4.43Å; M331-L336 HydrophobicContact SD-CD1 3.89Å; M331-I373 HydrophobicContact SD-CD1 4.09Å
332	D	38	Very low	40	Very low	69 Å²	69	97.7 Å²	97.7	37%	0.369	49%	0.487	S	S	.	.	H	α-helix	trans	-76.2	-41.3	179.9	-163.5	47.7	0	0	0	111.7	W328 L329 L334 E335	W328-D332 WeakPolarHBondContact O-CB 3.32Å; W328-D332 PolarHBondContact O-N 2.89Å; L329-D332 PolarHBondContact O-N 2.84Å; D332-L334 VanDerWaalsContact C-N 3.26Å; D332-L334 PolarHBondContact O-N 2.86Å; D332-E335 VanDerWaalsContact O-CA 3.28Å; D332-E335 WeakPolarHBondContact O-CA 3.44Å; D332-E335 PolarHBondContact O-N 2.91Å
333	E	44.3	Very low	40.1	Very low	160 Å²	160	103 Å²	103	75%	0.748	50%	0.502	S	S	*	.	H	α-helix	trans	-66.6	-29.6	174.2	-167.6	171.6	-156.7	0	0	111.6	L329 E335	L329-E333 WeakPolarHBondContact O-CB 3.48Å; L329-E333 PolarHBondContact O-N 3.05Å; E333-E335 PolarHBondContact O-N 2.81Å
334	L	44.2	Very low	40.2	Very low	101 Å²	101	105.7 Å²	105.7	53%	0.529	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	3	168.3	-66.5	172	0	0	0	113.3	L330 D332 L336	L330-L334 HydrophobicContact CD2-CD1 4.49Å; L330-L334 HydrophobicContact CG-CD1 4.12Å; L330-L334 WeakPolarHBondContact O-CB 3.43Å; L330-L334 VanDerWaalsContact O-CD1 3.31Å; L330-L334 WeakPolarHBondContact O-CD1 3.42Å; L330-L334 WeakPolarHBondContact O-CG 3.48Å; L330-L334 PolarHBondContact O-N 3.01Å; D332-L334 VanDerWaalsContact C-N 3.26Å; D332-L334 PolarHBondContact O-N 2.86Å; L334-L336 HydrophobicContact CB-CD1 3.79Å; L334-L336 HydrophobicContact CB-CD2 4.45Å; L334-L336 HydrophobicContact CB-CG 3.65Å; L334-L336 HydrophobicContact CD1-CD1 3.91Å; L334-L336 PolarHBondContact O-N 2.86Å; L334-L336 VanDerWaalsContact O-N 3.09Å
335	E	42.3	Very low	40.2	Very low	153 Å²	153	104.3 Å²	104.3	72%	0.715	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	24.2	-176.1	-62.1	-173.8	165.7	0	0	114.5	M331 D332 E333 A337	M331-E335 PolarHBondContact O-N 2.92Å; D332-E335 VanDerWaalsContact O-CA 3.28Å; D332-E335 WeakPolarHBondContact O-CA 3.44Å; D332-E335 PolarHBondContact O-N 2.91Å; E333-E335 PolarHBondContact O-N 2.81Å; E335-A337 VanDerWaalsContact C-N 3.32Å; E335-A337 PolarHBondContact O-N 2.6Å
336	L	44.2	Very low	40.2	Very low	50 Å²	50	103 Å²	103	26%	0.262	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22	-174.8	-60.6	173.7	0	0	0	112.4	M331 L334 Y341	M331-L336 WeakPolarHBondContact O-CB 3.32Å; M331-L336 PolarHBondContact O-N 3.37Å; M331-L336 HydrophobicContact SD-CB 4.43Å; M331-L336 HydrophobicContact SD-CD1 3.89Å; L334-L336 HydrophobicContact CB-CD1 3.79Å; L334-L336 HydrophobicContact CB-CD2 4.45Å; L334-L336 HydrophobicContact CB-CG 3.65Å; L334-L336 HydrophobicContact CD1-CD1 3.91Å; L334-L336 PolarHBondContact O-N 2.86Å; L334-L336 VanDerWaalsContact O-N 3.09Å; L336-Y341 PolarHBondContact O-OH 2.76Å
337	A	36.5	Very low	39.9	Very low	56 Å²	56	104.8 Å²	104.8	46%	0.463	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-30.3	-178.5	0	0	0	0	0	113.4	E335	E335-A337 VanDerWaalsContact C-N 3.32Å; E335-A337 PolarHBondContact O-N 2.6Å
338	N	35.8	Very low	39.6	Very low	137 Å²	137	109 Å²	109	73%	0.733	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	0.7	-170.9	-69.6	-39	0	0	0	114.3	D340	N338-D340 PolarHBondContact O-N 3.04Å; N338-D340 VanDerWaalsContact O-N 3.11Å
339	A	36.6	Very low	39.8	Very low	37 Å²	37	109.2 Å²	109.2	31%	0.306	56%	0.556	S	S	.	*			trans	-66.9	112.8	174.7	0	0	0	0	0	110	Y341	A339-Y341 VanDerWaalsContact C-N 3.27Å; A339-Y341 HydrophobicContact CB-CD1 4.02Å; A339-Y341 HydrophobicContact CB-CD2 4.49Å; A339-Y341 HydrophobicContact CB-CE1 3.48Å; A339-Y341 VanDerWaalsContact CB-CE1 3.48Å; A339-Y341 HydrophobicContact CB-CE2 3.99Å; A339-Y341 HydrophobicContact CB-CG 4.5Å; A339-Y341 VanDerWaalsContact CB-CZ 3.47Å; A339-Y341 WeakPolarHBondContact O-CD2 3.24Å; A339-Y341 WeakPolarHBondContact O-CE2 3.05Å; A339-Y341 PolarHBondContact O-N 3.06Å
340	D	36.6	Very low	39.8	Very low	75 Å²	75	109.1 Å²	109.1	40%	0.401	56%	0.559	S	S	.	*			trans	-70.1	87.1	168	-176.1	-2.9	0	0	0	109	N338 R342 R343	N338-D340 PolarHBondContact O-N 3.04Å; N338-D340 VanDerWaalsContact O-N 3.11Å; D340-R342 PolarHBondContact O-N 2.76Å; D340-R342 WeakPolarHBondContact OD1-CB 3.2Å; D340-R342 WeakPolarHBondContact OD1-CG 3.34Å; D340-R342 IonicContact OD1-CZ 3.94Å; D340-R342 PolarHBondContact OD1-N 2.91Å; D340-R342 IonicContact OD1-NE 3.48Å; D340-R342 PolarHBondContact OD1-NE 2.99Å; D340-R342 IonicContact OD1-NH2 2.67Å; D340-R342 PolarHBondContact OD1-NH2 3.45Å; D340-R342 IonicContact OD2-CZ 3.52Å; D340-R342 IonicContact OD2-NE 3.87Å; D340-R342 PolarHBondContact OD2-NE 2.81Å; D340-R342 IonicContact OD2-NH2 2.82Å; D340-R342 PolarHBondContact OD2-NH2 2.64Å; D340-R343 PolarHBondContact O-N 3.15Å
341	Y	41.8	Very low	39.6	Very low	90 Å²	90	107.2 Å²	107.2	35%	0.353	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-64.3	-9.7	-171.9	-62.8	-71.4	0	0	0	114.6	L336 A339 R343 H344	L336-Y341 PolarHBondContact O-OH 2.76Å; A339-Y341 VanDerWaalsContact C-N 3.27Å; A339-Y341 HydrophobicContact CB-CD1 4.02Å; A339-Y341 HydrophobicContact CB-CD2 4.49Å; A339-Y341 HydrophobicContact CB-CE1 3.48Å; A339-Y341 VanDerWaalsContact CB-CE1 3.48Å; A339-Y341 HydrophobicContact CB-CE2 3.99Å; A339-Y341 HydrophobicContact CB-CG 4.5Å; A339-Y341 VanDerWaalsContact CB-CZ 3.47Å; A339-Y341 WeakPolarHBondContact O-CD2 3.24Å; A339-Y341 WeakPolarHBondContact O-CE2 3.05Å; A339-Y341 PolarHBondContact O-N 3.06Å; Y341-R343 PolarHBondContact O-N 3.32Å; Y341-H344 PolarHBondContact O-N 2.76Å; Y341-H344 VanDerWaalsContact O-N 3.08Å
342	R	35.5	Very low	39.7	Very low	180 Å²	180	113.9 Å²	113.9	68%	0.679	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-60.2	-30.4	178	-64.7	178.1	-68.1	-173.1	-1.1	112.6	D340 H344 C345	D340-R342 PolarHBondContact O-N 2.76Å; D340-R342 WeakPolarHBondContact OD1-CB 3.2Å; D340-R342 WeakPolarHBondContact OD1-CG 3.34Å; D340-R342 IonicContact OD1-CZ 3.94Å; D340-R342 PolarHBondContact OD1-N 2.91Å; D340-R342 IonicContact OD1-NE 3.48Å; D340-R342 PolarHBondContact OD1-NE 2.99Å; D340-R342 IonicContact OD1-NH2 2.67Å; D340-R342 PolarHBondContact OD1-NH2 3.45Å; D340-R342 IonicContact OD2-CZ 3.52Å; D340-R342 IonicContact OD2-NE 3.87Å; D340-R342 PolarHBondContact OD2-NE 2.81Å; D340-R342 IonicContact OD2-NH2 2.82Å; D340-R342 PolarHBondContact OD2-NH2 2.64Å; R342-H344 PolarHBondContact O-N 3.42Å; R342-C345 PolarHBondContact O-N 3.2Å
343	R	40.4	Very low	39.8	Very low	223 Å²	223	118.6 Å²	118.6	84%	0.842	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-71.1	-17.1	178.3	-72.2	-174.6	179.4	178.2	1.3	113.8	D340 Y341	D340-R343 PolarHBondContact O-N 3.15Å; Y341-R343 PolarHBondContact O-N 3.32Å
344	H	41.5	Very low	39.6	Very low	147 Å²	147	115 Å²	115	68%	0.681	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-91.7	-6	179.8	-64.7	-68.8	0	0	0	113.3	Y341 R342 S346	Y341-H344 PolarHBondContact O-N 2.76Å; Y341-H344 VanDerWaalsContact O-N 3.08Å; R342-H344 PolarHBondContact O-N 3.42Å; H344-S346 PolarHBondContact O-N 2.77Å
345	C	35.5	Very low	39.3	Very low	51 Å²	51	115 Å²	115	35%	0.345	59%	0.585	S	S	.	*	S	Bend	trans	-76.3	101.7	166.3	-64.6	0	0	0	0	108.5	R342 V347 V350	R342-C345 PolarHBondContact O-N 3.2Å; C345-V347 PolarHBondContact O-N 2.97Å; C345-V350 HydrophobicContact CB-CG2 3.94Å
346	S	35.3	Very low	39.2	Very low	106 Å²	106	110.2 Å²	110.2	74%	0.741	57%	0.567	S	S	*	*			trans	-71.5	123.4	176.1	64.7	0	0	0	0	110.2	H344	H344-S346 PolarHBondContact O-N 2.77Å
347	V	36	Very low	39.1	Very low	114 Å²	114	114.5 Å²	114.5	69%	0.691	58%	0.581	S	S	*	*	S	Bend	trans	84.9	115.3	157.8	-150.8	0	0	0	0	115.6	C345	C345-V347 PolarHBondContact O-N 2.97Å
348	D	37.7	Very low	39.4	Very low	142 Å²	142	113.6 Å²	113.6	76%	0.759	57%	0.571	S	S	*	*	S	Bend	trans	61.1	103.1	161.7	-56.9	-23.9	0	0	0	119.7	V350	D348-V350 PolarHBondContact O-N 2.91Å
349	I	43	Very low	39.7	Very low	168 Å²	168	109.7 Å²	109.7	86%	0.862	55%	0.553	S	S	*	*			trans	43.3	68.1	156.2	-40.9	176.5	0	0	0	113.6	S351	I349-S351 PolarHBondContact O-N 2.82Å
350	V	41.6	Very low	40.3	Very low	79 Å²	79	114.8 Å²	114.8	48%	0.479	57%	0.565	S	S	.	*			trans	-61.5	118.7	161.1	-175.1	0	0	0	0	107.1	C345 D348 D354	C345-V350 HydrophobicContact CB-CG2 3.94Å; D348-V350 PolarHBondContact O-N 2.91Å; V350-D354 HydrophobicContact CG1-CB 3.91Å
351	S	43.3	Very low	40.8	Very low	44 Å²	44	116.2 Å²	116.2	31%	0.308	57%	0.57	S	S	.	*			trans	-66.4	148.7	179.3	81.5	0	0	0	0	108.6	I349 E353 D354	I349-S351 PolarHBondContact O-N 2.82Å; S351-E353 PolarHBondContact O-N 3.5Å; S351-E353 PolarHBondContact OG-N 3.12Å; S351-D354 WeakPolarHBondContact CB-OD2 3.28Å; S351-D354 PolarHBondContact N-OD2 3.39Å; S351-D354 VanDerWaalsContact N-OD2 3.12Å; S351-D354 PolarHBondContact O-N 2.99Å; S351-D354 VanDerWaalsContact O-N 3.13Å; S351-D354 VanDerWaalsContact OG-CG 3.29Å; S351-D354 PolarHBondContact OG-OD2 3.48Å
352	K	44.3	Very low	41	Very low	210 Å²	210	121.8 Å²	121.8	91%	0.913	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-12	179.1	-119.3	-177	-178.2	-177.8	0	113.4
353	E	39.6	Very low	41.6	Very low	168 Å²	168	120.8 Å²	120.8	79%	0.785	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-13.1	-175.4	-68.2	147.4	-158	0	0	112.5	S351 I355	S351-E353 PolarHBondContact O-N 3.5Å; S351-E353 PolarHBondContact OG-N 3.12Å; E353-I355 PolarHBondContact O-N 2.67Å
354	D	39.5	Very low	41.7	Very low	84 Å²	84	115.1 Å²	115.1	45%	0.449	59%	0.585	S	S	.	*			trans	-81.4	119.5	178.1	-60.6	-51.3	0	0	0	109.9	V350 S351	V350-D354 HydrophobicContact CG1-CB 3.91Å; S351-D354 WeakPolarHBondContact CB-OD2 3.28Å; S351-D354 PolarHBondContact N-OD2 3.39Å; S351-D354 VanDerWaalsContact N-OD2 3.12Å; S351-D354 PolarHBondContact O-N 2.99Å; S351-D354 VanDerWaalsContact O-N 3.13Å; S351-D354 VanDerWaalsContact OG-CG 3.29Å; S351-D354 PolarHBondContact OG-OD2 3.48Å
355	I	38.3	Very low	41.8	Very low	102 Å²	102	110.9 Å²	110.9	52%	0.523	58%	0.581	S	S	.	*			trans	-109.7	117.5	-179.5	-31.2	173.3	0	0	0	110.3	E353 Y357	E353-I355 PolarHBondContact O-N 2.67Å; I355-Y357 HydrophobicContact CB-CD2 4.34Å; I355-Y357 HydrophobicContact CB-CE1 4.22Å; I355-Y357 HydrophobicContact CB-CE2 3.5Å; I355-Y357 VanDerWaalsContact CB-CE2 3.5Å; I355-Y357 VanDerWaalsContact CB-CZ 3.46Å; I355-Y357 WeakPolarHBondContact CB-OH 3.45Å; I355-Y357 HydrophobicContact CD1-CE2 4.46Å; I355-Y357 WeakPolarHBondContact CD1-OH 3.34Å; I355-Y357 HydrophobicContact CG2-CD1 4.06Å; I355-Y357 HydrophobicContact CG2-CD2 4.26Å; I355-Y357 HydrophobicContact CG2-CE1 3.28Å; I355-Y357 HydrophobicContact CG2-CE2 3.53Å; I355-Y357 WeakPolarHBondContact CG2-OH 3.32Å
356	C	39.7	Very low	42.2	Very low	51 Å²	51	114.2 Å²	114.2	35%	0.345	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.5	123	177.9	-50.3	0	0	0	0	108.7	C381	C356-C381 HydrophobicContact CB-CB 4.21Å; C356-C381 WeakPolarHBondContact CB-SG 3.49Å; C356-C381 WeakPolarHBondContact SG-CB 3.39Å; C356-C381 CovalentContact SG-SG 2.06Å; C356-C381 PolarHBondContact SG-SG 3.04Å
357	Y	41.7	Very low	42.6	Very low	140 Å²	140	110.9 Å²	110.9	55%	0.549	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.3	147.1	175	-43.9	-83.3	0	0	0	110	I355	I355-Y357 HydrophobicContact CB-CD2 4.34Å; I355-Y357 HydrophobicContact CB-CE1 4.22Å; I355-Y357 HydrophobicContact CB-CE2 3.5Å; I355-Y357 VanDerWaalsContact CB-CE2 3.5Å; I355-Y357 VanDerWaalsContact CB-CZ 3.46Å; I355-Y357 WeakPolarHBondContact CB-OH 3.45Å; I355-Y357 HydrophobicContact CD1-CE2 4.46Å; I355-Y357 WeakPolarHBondContact CD1-OH 3.34Å; I355-Y357 HydrophobicContact CG2-CD1 4.06Å; I355-Y357 HydrophobicContact CG2-CD2 4.26Å; I355-Y357 HydrophobicContact CG2-CE1 3.28Å; I355-Y357 HydrophobicContact CG2-CE2 3.53Å; I355-Y357 WeakPolarHBondContact CG2-OH 3.32Å
358	P	43.2	Very low	43.2	Very low	38 Å²	38	107.6 Å²	107.6	25%	0.247	55%	0.55	C	S	.	.			trans	-61.4	129.9	164.2	25.1	-31.9	0	0	0	109.2	Y360 V372	P358-Y360 HydrophobicContact CB-CE1 4.45Å; P358-Y360 HydrophobicContact CG-CE1 4.14Å; P358-Y360 HydrophobicContact CG-CE2 3.68Å; P358-Y360 VanDerWaalsContact CG-CZ 3.42Å; P358-Y360 WeakPolarHBondContact CG-OH 3.24Å; P358-Y360 VanDerWaalsContact O-CD2 3.25Å; P358-Y360 WeakPolarHBondContact O-CD2 3.47Å; P358-Y360 PolarHBondContact O-N 2.82Å; P358-Y360 VanDerWaalsContact O-N 3.08Å; P358-V372 HydrophobicContact CB-CG1 4.35Å
359	P	43.1	Very low	43.5	Very low	55 Å²	55	104 Å²	104	36%	0.357	53%	0.529	S	S	.	.			trans	-69	111	-177.9	26.2	-32.3	0	0	0	109.6
360	Y	47.7	Very low	43.6	Very low	144 Å²	144	99.3 Å²	99.3	57%	0.565	51%	0.506	S	S	*	.			trans	-97.3	114.7	173.2	-56.8	-69.1	0	0	0	109.8	P358 K362 I369	P358-Y360 HydrophobicContact CB-CE1 4.45Å; P358-Y360 HydrophobicContact CG-CE1 4.14Å; P358-Y360 HydrophobicContact CG-CE2 3.68Å; P358-Y360 VanDerWaalsContact CG-CZ 3.42Å; P358-Y360 WeakPolarHBondContact CG-OH 3.24Å; P358-Y360 VanDerWaalsContact O-CD2 3.25Å; P358-Y360 WeakPolarHBondContact O-CD2 3.47Å; P358-Y360 PolarHBondContact O-N 2.82Å; P358-Y360 VanDerWaalsContact O-N 3.08Å; Y360-K362 PolarHBondContact O-N 2.7Å; Y360-I369 HydrophobicContact CD1-CG1 4.11Å; Y360-I369 HydrophobicContact CE1-CG1 4.23Å; Y360-I369 HydrophobicContact CE1-CG2 4.15Å
361	E	48.1	Very low	43.8	Very low	105 Å²	105	98.9 Å²	98.9	49%	0.491	50%	0.501	S	S	.	.			trans	-78.4	116.9	163.8	-71.5	178.6	-169.8	0	0	108.4	D363 K364	E361-D363 PolarHBondContact O-N 2.8Å; E361-K364 HydrophobicContact CB-CB 4.43Å; E361-K364 HydrophobicContact CB-CD 4.49Å; E361-K364 HydrophobicContact CB-CG 4.31Å; E361-K364 PolarHBondContact O-N 3.4Å; E361-K364 VanDerWaalsContact O-N 3.11Å; E361-K364 IonicContact OE1-NZ 2.98Å; E361-K364 VanDerWaalsContact OE2-CD 3.24Å; E361-K364 WeakPolarHBondContact OE2-CD 3.19Å; E361-K364 WeakPolarHBondContact OE2-CE 3.33Å; E361-K364 IonicContact OE2-NZ 3.41Å; E361-K364 PolarHBondContact OE2-NZ 3.08Å
362	K	45.8	Very low	43.9	Very low	207 Å²	207	98.6 Å²	98.6	90%	0.9	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-20.8	-176	-76.4	-175.2	176.1	-179.1	0	114.2	Y360	Y360-K362 PolarHBondContact O-N 2.7Å
363	D	49.3	Very low	43.9	Very low	158 Å²	158	91.6 Å²	91.6	85%	0.845	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	1.7	-170.8	-42.1	-33.3	0	0	0	112.6	E361	E361-D363 PolarHBondContact O-N 2.8Å
364	K	42.1	Very low	44.1	Very low	105 Å²	105	88.6 Å²	88.6	46%	0.457	46%	0.458	S	S	.	.	S	Bend	trans	-106.7	123.4	179.8	-71.4	-166.1	175.2	146	0	111.1	E361 H368	E361-K364 HydrophobicContact CB-CB 4.43Å; E361-K364 HydrophobicContact CB-CD 4.49Å; E361-K364 HydrophobicContact CB-CG 4.31Å; E361-K364 PolarHBondContact O-N 3.4Å; E361-K364 VanDerWaalsContact O-N 3.11Å; E361-K364 IonicContact OE1-NZ 2.98Å; E361-K364 VanDerWaalsContact OE2-CD 3.24Å; E361-K364 WeakPolarHBondContact OE2-CD 3.19Å; E361-K364 WeakPolarHBondContact OE2-CE 3.33Å; E361-K364 IonicContact OE2-NZ 3.41Å; E361-K364 PolarHBondContact OE2-NZ 3.08Å; K364-H368 HydrophobicContact CB-CB 3.64Å; K364-H368 HydrophobicContact CD-CB 4.42Å
365	G	44.1	Very low	44.3	Very low	58 Å²	58	88 Å²	88	60%	0.598	45%	0.452	S	S	*	.			trans	-57.6	165.6	-178.9	0	0	0	0	0	113.1	G367 H368	G365-G367 PolarHBondContact O-N 2.76Å; G365-H368 VanDerWaalsContact O-CB 3.31Å; G365-H368 WeakPolarHBondContact O-CB 3.33Å; G365-H368 PolarHBondContact O-N 2.71Å
366	K	42.1	Very low	44.2	Very low	120 Å²	120	88.9 Å²	88.9	52%	0.522	46%	0.464	S	S	.	.	H	α-helix	trans	-50.5	-28.5	-171.7	-62.4	178.8	179.7	-179.1	0	114.9	H368 I369 L370	K366-H368 PolarHBondContact O-N 3.35Å; K366-I369 WeakPolarHBondContact O-CB 3.35Å; K366-I369 PolarHBondContact O-N 3.08Å; K366-L370 PolarHBondContact O-N 3.29Å
367	G	45.1	Very low	44.4	Very low	37 Å²	37	92.3 Å²	92.3	38%	0.381	47%	0.474	S	S	.	.	H	α-helix	trans	-55.9	-33.4	172.1	0	0	0	0	0	113.2	G365 L370 D371	G365-G367 PolarHBondContact O-N 2.76Å; G367-L370 PolarHBondContact O-N 2.69Å; G367-D371 VanDerWaalsContact O-CB 3.3Å; G367-D371 WeakPolarHBondContact O-CB 3.45Å; G367-D371 PolarHBondContact O-N 3.01Å
368	H	47.9	Very low	44.2	Very low	45 Å²	45	94.2 Å²	94.2	21%	0.208	49%	0.488	C	S	.	.	H	α-helix	trans	-67.4	-36.8	175.1	-175.8	49.6	0	0	0	112.7	K364 G365 K366 L370 D371 V372	K364-H368 HydrophobicContact CB-CB 3.64Å; K364-H368 HydrophobicContact CD-CB 4.42Å; G365-H368 VanDerWaalsContact O-CB 3.31Å; G365-H368 WeakPolarHBondContact O-CB 3.33Å; G365-H368 PolarHBondContact O-N 2.71Å; K366-H368 PolarHBondContact O-N 3.35Å; H368-L370 VanDerWaalsContact C-N 3.33Å; H368-L370 PolarHBondContact O-N 3.07Å; H368-D371 PolarHBondContact O-N 3.41Å; H368-V372 WeakPolarHBondContact O-CB 3.21Å; H368-V372 VanDerWaalsContact O-CG2 3.25Å; H368-V372 WeakPolarHBondContact O-CG2 3.19Å; H368-V372 PolarHBondContact O-N 2.98Å
369	I	44	Very low	44.1	Very low	65 Å²	65	97.1 Å²	97.1	33%	0.333	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-47.1	176.8	-62.3	174	0	0	0	109.4	Y360 K366 V372 I373	Y360-I369 HydrophobicContact CD1-CG1 4.11Å; Y360-I369 HydrophobicContact CE1-CG1 4.23Å; Y360-I369 HydrophobicContact CE1-CG2 4.15Å; K366-I369 WeakPolarHBondContact O-CB 3.35Å; K366-I369 PolarHBondContact O-N 3.08Å; I369-V372 PolarHBondContact O-N 2.89Å; I369-I373 HydrophobicContact CG2-CD1 3.87Å; I369-I373 VanDerWaalsContact O-CG1 3.25Å; I369-I373 WeakPolarHBondContact O-CG1 3.49Å; I369-I373 PolarHBondContact O-N 3.13Å
370	L	44.6	Very low	43.8	Very low	70 Å²	70	99.9 Å²	99.9	37%	0.366	50%	0.503	S	S	.	.	H	α-helix	trans	-67	-40.3	176.4	-71.1	168.8	0	0	0	112.2	K366 G367 H368 V372 I373 L374	K366-L370 PolarHBondContact O-N 3.29Å; G367-L370 PolarHBondContact O-N 2.69Å; H368-L370 VanDerWaalsContact C-N 3.33Å; H368-L370 PolarHBondContact O-N 3.07Å; L370-V372 PolarHBondContact O-N 3.14Å; L370-I373 HydrophobicContact CD2-CD1 4.46Å; L370-I373 PolarHBondContact O-N 2.78Å; L370-I373 VanDerWaalsContact O-N 3.14Å; L370-L374 WeakPolarHBondContact O-CB 3.16Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.08Å; L370-L374 PolarHBondContact O-N 2.92Å
371	D	46.9	Very low	43.5	Very low	70 Å²	70	95.2 Å²	95.2	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-33.3	176.6	-151.1	50.1	0	0	0	111.3	G367 H368 K375	G367-D371 VanDerWaalsContact O-CB 3.3Å; G367-D371 WeakPolarHBondContact O-CB 3.45Å; G367-D371 PolarHBondContact O-N 3.01Å; H368-D371 PolarHBondContact O-N 3.41Å; D371-K375 WeakPolarHBondContact O-CD 3.17Å; D371-K375 WeakPolarHBondContact O-CE 3.26Å; D371-K375 WeakPolarHBondContact O-CG 3.44Å; D371-K375 PolarHBondContact O-N 2.05Å; D371-K375 WeakPolarHBondContact OD2-CE 3.28Å; D371-K375 IonicContact OD2-NZ 3.07Å; D371-K375 PolarHBondContact OD2-NZ 2.83Å
372	V	45.7	Very low	42.8	Very low	38 Å²	38	98.6 Å²	98.6	23%	0.23	51%	0.507	C	S	.	.	H	α-helix	trans	-72.8	-42	173.2	170.7	0	0	0	0	111.3	P358 H368 I369 L370 K375	P358-V372 HydrophobicContact CB-CG1 4.35Å; H368-V372 WeakPolarHBondContact O-CB 3.21Å; H368-V372 VanDerWaalsContact O-CG2 3.25Å; H368-V372 WeakPolarHBondContact O-CG2 3.19Å; H368-V372 PolarHBondContact O-N 2.98Å; I369-V372 PolarHBondContact O-N 2.89Å; L370-V372 PolarHBondContact O-N 3.14Å; V372-K375 PolarHBondContact O-N 2.94Å
373	I	44.2	Very low	42.3	Very low	64 Å²	64	92.7 Å²	92.7	33%	0.328	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-40.4	178.3	-69.8	164.2	0	0	0	111.6	M331 I369 L370 K375	M331-I373 HydrophobicContact SD-CD1 4.09Å; I369-I373 HydrophobicContact CG2-CD1 3.87Å; I369-I373 VanDerWaalsContact O-CG1 3.25Å; I369-I373 WeakPolarHBondContact O-CG1 3.49Å; I369-I373 PolarHBondContact O-N 3.13Å; L370-I373 HydrophobicContact CD2-CD1 4.46Å; L370-I373 PolarHBondContact O-N 2.78Å; L370-I373 VanDerWaalsContact O-N 3.14Å; I373-K375 VanDerWaalsContact C-N 3.32Å; I373-K375 PolarHBondContact O-N 2.99Å
374	L	43.9	Very low	41.4	Very low	105 Å²	105	95 Å²	95	55%	0.55	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.3	-177.1	-65.5	173.5	0	0	0	113.6	I283 L370	I283-L374 HydrophobicContact CD1-CD1 3.84Å; L370-L374 WeakPolarHBondContact O-CB 3.16Å; L370-L374 VanDerWaalsContact O-CG 3.28Å; L370-L374 WeakPolarHBondContact O-CG 3.08Å; L370-L374 PolarHBondContact O-N 2.92Å
375	K	42	Very low	40.9	Very low	72 Å²	72	96 Å²	96	31%	0.313	52%	0.516	S	S	.	.	S	Bend	trans	-81.2	139.7	176.3	-82.6	171.7	-146.7	-168	0	110.7	D371 V372 I373 Q377 H431	D371-K375 WeakPolarHBondContact O-CD 3.17Å; D371-K375 WeakPolarHBondContact O-CE 3.26Å; D371-K375 WeakPolarHBondContact O-CG 3.44Å; D371-K375 PolarHBondContact O-N 2.05Å; D371-K375 WeakPolarHBondContact OD2-CE 3.28Å; D371-K375 IonicContact OD2-NZ 3.07Å; D371-K375 PolarHBondContact OD2-NZ 2.83Å; V372-K375 PolarHBondContact O-N 2.94Å; I373-K375 VanDerWaalsContact C-N 3.32Å; I373-K375 PolarHBondContact O-N 2.99Å; K375-Q377 PolarHBondContact O-N 2.76Å; K375-H431 WeakPolarHBondContact CE-CE1 3.39Å; K375-H431 WeakPolarHBondContact CE-NE2 3.39Å; K375-H431 PolarHBondContact NZ-NE2 3.37Å
376	P	37.1	Very low	40.4	Very low	120 Å²	120	101.1 Å²	101.1	78%	0.779	53%	0.53	S	S	*	.			trans	-55.8	115.9	173.1	-19.3	30.5	0	0	0	109.3	Q378	P376-Q378 PolarHBondContact O-N 3.18Å
377	Q	43.4	Very low	40.1	Very low	122 Å²	122	104.3 Å²	104.3	57%	0.57	54%	0.544	S	S	*	.			trans	-58.1	108.7	-158.1	-66.5	163.8	-8.9	0	0	113.8	K375 Y379	K375-Q377 PolarHBondContact O-N 2.76Å; Q377-Y379 HydrophobicContact CB-CD2 3.71Å; Q377-Y379 HydrophobicContact CB-CE2 3.55Å; Q377-Y379 HydrophobicContact CG-CD2 4.13Å; Q377-Y379 HydrophobicContact CG-CE2 3.43Å; Q377-Y379 VanDerWaalsContact CG-CE2 3.43Å; Q377-Y379 PolarHBondContact NE2-OH 3.2Å
378	Q	38.4	Very low	39.7	Very low	180 Å²	180	113.9 Å²	113.9	84%	0.841	57%	0.568	S	S	*	*			trans	-98.3	79.6	150.4	-74.8	-173.4	-14.6	0	0	107	P376 Q380	P376-Q378 PolarHBondContact O-N 3.18Å; Q378-Q380 PolarHBondContact O-N 3.16Å; Q378-Q380 VanDerWaalsContact O-N 3.16Å
379	Y	41.4	Very low	39.1	Very low	99 Å²	99	118.9 Å²	118.9	39%	0.388	60%	0.597	S	S	.	*			trans	-62.2	118.7	166.5	-69.1	-68.1	0	0	0	107.6	Q377 C381	Q377-Y379 HydrophobicContact CB-CD2 3.71Å; Q377-Y379 HydrophobicContact CB-CE2 3.55Å; Q377-Y379 HydrophobicContact CG-CD2 4.13Å; Q377-Y379 HydrophobicContact CG-CE2 3.43Å; Q377-Y379 VanDerWaalsContact CG-CE2 3.43Å; Q377-Y379 PolarHBondContact NE2-OH 3.2Å; Y379-C381 VanDerWaalsContact C-N 3.25Å; Y379-C381 PolarHBondContact O-N 3Å
380	Q	36.8	Very low	38.8	Very low	114 Å²	114	125.2 Å²	125.2	53%	0.533	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.4	88.6	171.3	-69.6	-179.9	-0.4	0	0	106.7	Q378	Q378-Q380 PolarHBondContact O-N 3.16Å; Q378-Q380 VanDerWaalsContact O-N 3.16Å
381	C	39.5	Very low	38.2	Very low	45 Å²	45	134.1 Å²	134.1	30%	0.304	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.5	119.9	146.8	-59	0	0	0	0	104.2	C356 Y379 A383	C356-C381 HydrophobicContact CB-CB 4.21Å; C356-C381 WeakPolarHBondContact CB-SG 3.49Å; C356-C381 WeakPolarHBondContact SG-CB 3.39Å; C356-C381 CovalentContact SG-SG 2.06Å; C356-C381 PolarHBondContact SG-SG 3.04Å; Y379-C381 VanDerWaalsContact C-N 3.25Å; Y379-C381 PolarHBondContact O-N 3Å; C381-A383 PolarHBondContact O-N 3.45Å
382	E	34.4	Very low	37.7	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	67%	0.669	S	S	*	*			trans	-67.7	75.1	177.8	-74.5	-167.3	164.3	0	0	110.3
383	A	35.6	Very low	37.8	Very low	82 Å²	82	136.1 Å²	136.1	68%	0.678	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-98.3	130.5	155.5	0	0	0	0	0	106.9	C381	C381-A383 PolarHBondContact O-N 3.45Å
384	K	31	Very low	38.4	Very low	208 Å²	208	135.8 Å²	135.8	90%	0.904	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-53.3	137.3	-171.9	-81.8	-179.2	178.7	172.7	0	111.6
385	P	31.1	Very low	39.5	Very low	124 Å²	124	133.7 Å²	133.7	81%	0.805	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-75.1	134.7	-159.5	28.9	-34.8	0	0	0	112.1
386	D	32.9	Very low	40.9	Very low	167 Å²	167	136.6 Å²	136.6	89%	0.893	69%	0.69	S	S	*	*			trans	-119.8	142.7	165.1	-132.1	-19.9	0	0	0	113
387	K	36.5	Very low	42.7	Very low	187 Å²	187	132.3 Å²	132.3	81%	0.813	67%	0.668	S	S	*	*			trans	-92.8	142.4	-159.8	-71.8	172.4	177.2	166.6	0	112.4
388	R	36.4	Very low	44.2	Very low	237 Å²	237	132.1 Å²	132.1	89%	0.894	67%	0.667	S	S	*	*			trans	95.1	115.2	157.8	-63.6	172.1	166.1	167.8	-3.2	115.8
389	D	36.2	Very low	46.1	Very low	151 Å²	151	125.5 Å²	125.5	81%	0.807	64%	0.635	S	S	*	*			trans	-150.1	164.5	132.6	-106.8	-34.4	0	0	0	113.6
390	K	36	Very low	47.8	Very low	197 Å²	197	127.1 Å²	127.1	86%	0.857	64%	0.644	S	S	*	*			trans	-87.7	159.2	-138	-75.8	155.7	177.1	166.5	0	117.1
391	R	32.7	Very low	49.7	Very low	258 Å²	258	123.7 Å²	123.7	97%	0.974	64%	0.635	S	S	*	*			trans	-67	122.6	173.3	-68	167.2	178.8	170	0.6	111.8
392	G	35.8	Very low	51.1	Low	73 Å²	73	126.2 Å²	126.2	75%	0.753	64%	0.644	S	S	*	*			trans	-164.5	75.4	163	0	0	0	0	0	108.6	S394	G392-S394 PolarHBondContact O-N 2.85Å
393	S	47.9	Very low	53.1	Low	77 Å²	77	120.2 Å²	120.2	54%	0.538	62%	0.62	S	S	.	*			trans	-76.9	90.3	-175.4	61.3	0	0	0	0	110.1	L395 K432	S393-L395 PolarHBondContact O-N 3.33Å; S393-K432 VanDerWaalsContact CB-NZ 3.3Å; S393-K432 PolarHBondContact OG-NZ 3.24Å
394	S	58	Low	55.4	Low	56 Å²	56	119.3 Å²	119.3	39%	0.392	61%	0.607	S	S	.	*			trans	-56.3	134.1	164.4	178.3	0	0	0	0	109	G392 E396	G392-S394 PolarHBondContact O-N 2.85Å; S394-E396 PolarHBondContact O-N 3.12Å; S394-E396 WeakPolarHBondContact OG-CB 3.24Å; S394-E396 VanDerWaalsContact OG-CD 3.22Å; S394-E396 WeakPolarHBondContact OG-CG 3.46Å; S394-E396 PolarHBondContact OG-N 3.35Å; S394-E396 VanDerWaalsContact OG-N 3.07Å; S394-E396 PolarHBondContact OG-OE2 3.37Å
395	L	66.7	Low	57.8	Low	61 Å²	61	110.7 Å²	110.7	32%	0.319	57%	0.57	S	S	.	*	S	Bend	trans	-74.2	-3.3	170.6	-65.2	172.2	0	0	0	111.1	S393 G397 M429 I433 L466 Y479	S393-L395 PolarHBondContact O-N 3.33Å; L395-G397 PolarHBondContact O-N 3.13Å; L395-G397 VanDerWaalsContact O-N 3.08Å; L395-M429 WeakPolarHBondContact O-CE 3.47Å; L395-I433 HydrophobicContact CB-CD1 4.41Å; L395-I433 HydrophobicContact CD2-CD1 3.4Å; L395-I433 HydrophobicContact CD2-CG1 4.39Å; L395-I433 HydrophobicContact CG-CD1 4.5Å; L395-L466 HydrophobicContact CD2-CD1 4.41Å; L395-Y479 HydrophobicContact CD1-CD1 4.46Å
396	E	71.1	Confident	60.2	Low	134 Å²	134	110.1 Å²	110.1	63%	0.626	56%	0.557	S	S	*	*			trans	-68.3	-8.9	-168.8	-72.5	165.9	144.7	0	0	114.9	S394 R427	S394-E396 PolarHBondContact O-N 3.12Å; S394-E396 WeakPolarHBondContact OG-CB 3.24Å; S394-E396 VanDerWaalsContact OG-CD 3.22Å; S394-E396 WeakPolarHBondContact OG-CG 3.46Å; S394-E396 PolarHBondContact OG-N 3.35Å; S394-E396 VanDerWaalsContact OG-N 3.07Å; S394-E396 PolarHBondContact OG-OE2 3.37Å; E396-R427 PolarHBondContact O-NE 3.34Å; E396-R427 PolarHBondContact O-NH2 3.47Å
397	G	74.4	Confident	62.3	Low	30 Å²	30	102.8 Å²	102.8	31%	0.309	52%	0.52	S	S	.	.			trans	54.4	-164.2	-176.8	0	0	0	0	0	112.9	L395 T428	L395-G397 PolarHBondContact O-N 3.13Å; L395-G397 VanDerWaalsContact O-N 3.08Å; G397-T428 CarbonylContact C-O 3.6Å; G397-T428 WeakPolarHBondContact CA-O 3.39Å
398	H	75.3	Confident	64	Low	118 Å²	118	96 Å²	96	55%	0.546	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	117.7	177.3	178.8	-75.2	0	0	0	109.5	R427 T428	H398-R427 CarbonylContact O-C 3.5Å; H398-R427 WeakPolarHBondContact O-CA 3.34Å; H398-T428 PolarHBondContact N-O 3.44Å; H398-T428 PolarHBondContact O-N 3.03Å
399	F	79	Confident	65.8	Low	41 Å²	41	86.4 Å²	86.4	18%	0.18	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.7	176.2	176.8	-100	0	0	0	110.9	A401 R427 E440 R442	F399-A401 HydrophobicContact CE1-CB 3.97Å; F399-A401 HydrophobicContact CZ-CB 4.44Å; F399-R427 HydrophobicContact CD2-CB 4.4Å; F399-E440 HydrophobicContact CD2-CB 4.09Å; F399-E440 HydrophobicContact CD2-CG 4.43Å; F399-E440 WeakPolarHBondContact CD2-OE2 3.35Å; F399-E440 HydrophobicContact CE2-CB 3.88Å; F399-E440 HydrophobicContact CE2-CG 4.36Å; F399-R442 HydrophobicContact CD1-CG 4.34Å; F399-R442 HydrophobicContact CD2-CG 4.36Å; F399-R442 HydrophobicContact CE1-CB 4.16Å; F399-R442 HydrophobicContact CE1-CG 4.09Å; F399-R442 HydrophobicContact CE2-CG 4.13Å; F399-R442 HydrophobicContact CG-CG 4.46Å; F399-R442 HydrophobicContact CZ-CB 4.18Å; F399-R442 HydrophobicContact CZ-CG 3.98Å
400	K	76.5	Confident	67.3	Low	132 Å²	132	85.4 Å²	85.4	57%	0.574	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122	115.5	172	-178	67.8	176.8	-177.4	0	108.9	G425 V426	K400-G425 CarbonylContact O-C 3.57Å; K400-G425 WeakPolarHBondContact O-CA 3.07Å; K400-V426 PolarHBondContact N-O 2.95Å; K400-V426 PolarHBondContact O-N 3.42Å
401	A	77.7	Confident	68.6	Low	42 Å²	42	77.6 Å²	77.6	35%	0.347	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	137	172.7	0	0	0	0	0	110.6	F399 C423	F399-A401 HydrophobicContact CE1-CB 3.97Å; F399-A401 HydrophobicContact CZ-CB 4.44Å; A401-C423 HydrophobicContact CB-CB 3.95Å
402	M	68.8	Low	69.8	Low	99 Å²	99	68 Å²	68	49%	0.488	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-47.5	178.7	-66.5	-68.7	-61.7	0	0	110.8	M299 W424	M299-M402 HydrophobicContact CE-CE 3.52Å; M299-M402 HydrophobicContact CE-CG 4.27Å; M299-M402 HydrophobicContact CE-SD 3.9Å; M402-W424 HydrophobicContact CB-CD2 4.37Å; M402-W424 HydrophobicContact CB-CE3 3.6Å; M402-W424 HydrophobicContact CB-CH2 4.3Å; M402-W424 HydrophobicContact CB-CZ3 3.55Å; M402-W424 HydrophobicContact CG-CE3 4.48Å; M402-W424 HydrophobicContact CG-CZ3 4.24Å; M402-W424 PolarHBondContact N-O 3.24Å
403	T	76.2	Confident	70.8	Confident	51 Å²	51	71.9 Å²	71.9	31%	0.313	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.9	178.4	-48.2	0	0	0	0	109.1	N292 C423 W424	N292-T403 PolarHBondContact ND2-OG1 3.39Å; T403-C423 CarbonylContact O-C 3.54Å; T403-C423 WeakPolarHBondContact O-CA 3.35Å; T403-W424 PolarHBondContact N-O 3.29Å; T403-W424 PolarHBondContact O-N 2.85Å
404	C	83.9	Confident	71.2	Confident	62 Å²	62	69.6 Å²	69.6	42%	0.419	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.2	178.9	-60.5	0	0	0	0	111	R422 C423 M444	C404-R422 CarbonylContact C-O 3.4Å; C404-R422 WeakPolarHBondContact CA-O 3.37Å; C404-C423 HydrophobicContact CB-CB 4.13Å; C404-C423 WeakPolarHBondContact CB-SG 3.07Å; C404-C423 WeakPolarHBondContact SG-CB 3.48Å; C404-C423 CovalentContact SG-SG 2.05Å; C404-C423 PolarHBondContact SG-SG 3.1Å; C404-M444 HydrophobicContact CB-SD 4.33Å
405	E	81.4	Confident	71.5	Confident	27 Å²	27	71.6 Å²	71.6	13%	0.126	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.4	167.1	-66.6	-179.7	160.7	0	0	108	L294 N418 G421 R422	L294-E405 HydrophobicContact CD1-CG 4.27Å; E405-N418 PolarHBondContact OE2-ND2 2.84Å; E405-G421 CarbonylContact O-C 3.56Å; E405-G421 WeakPolarHBondContact O-CA 3.31Å; E405-R422 HydrophobicContact CB-CG 4.35Å; E405-R422 PolarHBondContact N-O 2.88Å; E405-R422 PolarHBondContact O-N 2.84Å; E405-R422 IonicContact OE2-CZ 3.21Å; E405-R422 VanDerWaalsContact OE2-CZ 3.31Å; E405-R422 IonicContact OE2-NE 2.67Å; E405-R422 PolarHBondContact OE2-NE 3.44Å; E405-R422 IonicContact OE2-NH2 3.43Å; E405-R422 PolarHBondContact OE2-NH2 3.45Å
406	E	81.5	Confident	71.4	Confident	113 Å²	113	73.4 Å²	73.4	53%	0.528	41%	0.411	S	S	.	.			trans	-77.7	152.3	176.9	-67.4	-164.5	-170.1	0	0	111.9	G408 S409 K449	E406-G408 PolarHBondContact O-N 3.3Å; E406-S409 WeakPolarHBondContact O-CB 3.32Å; E406-S409 PolarHBondContact O-N 3.2Å; E406-S409 PolarHBondContact O-OG 3.5Å; E406-K449 IonicContact OE2-NZ 3.49Å
407	A	77.4	Confident	71.1	Confident	13 Å²	13	70.6 Å²	70.6	11%	0.107	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	136.2	166	0	0	0	0	0	111	S409 D446 H450	A407-S409 VanDerWaalsContact C-N 3.3Å; A407-D446 WeakPolarHBondContact CB-OD2 3.28Å; A407-H450 WeakPolarHBondContact CB-NE2 3.31Å
408	G	71.3	Confident	70.8	Confident	43 Å²	43	69.9 Å²	69.9	44%	0.443	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-1.6	-174.2	0	0	0	0	0	114.5	E406 N418	E406-G408 PolarHBondContact O-N 3.3Å; G408-N418 PolarHBondContact N-O 2.78Å
409	S	73.8	Confident	70.7	Confident	36 Å²	36	68.5 Å²	68.5	25%	0.252	39%	0.385	S	S	.	.	S	Bend	trans	-67.6	154	165.8	62.6	0	0	0	0	110.9	E406 A407 L417 N418	E406-S409 WeakPolarHBondContact O-CB 3.32Å; E406-S409 PolarHBondContact O-N 3.2Å; E406-S409 PolarHBondContact O-OG 3.5Å; A407-S409 VanDerWaalsContact C-N 3.3Å; S409-L417 CarbonylContact O-C 3.58Å; S409-L417 VanDerWaalsContact O-CA 3.32Å; S409-L417 WeakPolarHBondContact O-CA 3.4Å; S409-N418 PolarHBondContact O-N 3.49Å; S409-N418 PolarHBondContact OG-ND2 3.09Å
410	F	68.4	Low	70.7	Confident	131 Å²	131	67 Å²	67	58%	0.575	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-69.9	132.8	170	-72.5	-83.2	0	0	0	109.4	A412 L416 L417	F410-A412 PolarHBondContact O-N 3.44Å; F410-L416 WeakPolarHBondContact CA-O 3.16Å; F410-L417 HydrophobicContact CD1-CD2 3.76Å; F410-L417 HydrophobicContact CD2-CD2 4.38Å; F410-L417 HydrophobicContact CE1-CD2 3.76Å; F410-L417 HydrophobicContact CE2-CD2 4.38Å; F410-L417 HydrophobicContact CG-CD2 4.08Å; F410-L417 HydrophobicContact CZ-CD2 4.09Å
411	V	62.9	Low	71	Confident	32 Å²	32	60.7 Å²	60.7	19%	0.194	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-62.6	125.2	166.2	174.6	0	0	0	0	106.4	Q413 S414 L416 N418	V411-Q413 PolarHBondContact O-N 3.07Å; V411-S414 WeakPolarHBondContact CB-OG 3.48Å; V411-S414 PolarHBondContact O-N 3Å; V411-S414 PolarHBondContact O-OG 2.73Å; V411-S414 VanDerWaalsContact O-OG 3.08Å; V411-L416 HydrophobicContact CG2-CB 4.42Å; V411-L416 PolarHBondContact N-O 2.77Å; V411-N418 VanDerWaalsContact CG2-OD1 3.31Å; V411-N418 WeakPolarHBondContact CG2-OD1 3.34Å
412	A	57.4	Low	71.4	Confident	56 Å²	56	61.1 Å²	61.1	46%	0.463	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.5	132.5	-180	0	0	0	0	0	110.6	F410 S414	F410-A412 PolarHBondContact O-N 3.44Å; A412-S414 PolarHBondContact O-N 2.74Å
413	Q	56.4	Low	72.1	Confident	156 Å²	156	57 Å²	57	73%	0.729	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	14.2	178.1	-49.7	174.8	1.5	0	0	115.8	V411	V411-Q413 PolarHBondContact O-N 3.07Å
414	S	58.1	Low	72.4	Confident	29 Å²	29	55 Å²	55	20%	0.203	31%	0.312	C	S	.	.	S	Bend	trans	-134.6	166	176.6	86.1	0	0	0	0	113.6	V411 A412 L416	V411-S414 WeakPolarHBondContact CB-OG 3.48Å; V411-S414 PolarHBondContact O-N 3Å; V411-S414 PolarHBondContact O-OG 2.73Å; V411-S414 VanDerWaalsContact O-OG 3.08Å; A412-S414 PolarHBondContact O-N 2.74Å; S414-L416 VanDerWaalsContact C-N 3.25Å; S414-L416 WeakPolarHBondContact OG-CB 3.33Å; S414-L416 PolarHBondContact OG-N 3.1Å; S414-L416 VanDerWaalsContact OG-N 3.08Å
415	S	64	Low	72.1	Confident	97 Å²	97	52 Å²	52	68%	0.678	29%	0.292	S	S	*	.	S	Bend	trans	-85.9	5.9	169	57.8	0	0	0	0	113.3
416	L	64.1	Low	71.7	Confident	100 Å²	100	51.5 Å²	51.5	52%	0.524	29%	0.291	S	S	.	.			trans	-86.8	152.7	-179	-58.2	177.5	0	0	0	110.7	F410 V411 S414	F410-L416 WeakPolarHBondContact CA-O 3.16Å; V411-L416 HydrophobicContact CG2-CB 4.42Å; V411-L416 PolarHBondContact N-O 2.77Å; S414-L416 VanDerWaalsContact C-N 3.25Å; S414-L416 WeakPolarHBondContact OG-CB 3.33Å; S414-L416 PolarHBondContact OG-N 3.1Å; S414-L416 VanDerWaalsContact OG-N 3.08Å
417	L	64.1	Low	71.5	Confident	75 Å²	75	47.2 Å²	47.2	39%	0.393	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-104.1	137.2	177.1	-59.9	176	0	0	0	110	S409 F410 L419	S409-L417 CarbonylContact O-C 3.58Å; S409-L417 VanDerWaalsContact O-CA 3.32Å; S409-L417 WeakPolarHBondContact O-CA 3.4Å; F410-L417 HydrophobicContact CD1-CD2 3.76Å; F410-L417 HydrophobicContact CD2-CD2 4.38Å; F410-L417 HydrophobicContact CE1-CD2 3.76Å; F410-L417 HydrophobicContact CE2-CD2 4.38Å; F410-L417 HydrophobicContact CG-CD2 4.08Å; F410-L417 HydrophobicContact CZ-CD2 4.09Å; L417-L419 PolarHBondContact O-N 2.82Å
418	N	69.7	Low	71.3	Confident	15 Å²	15	49.6 Å²	49.6	8%	0.08	28%	0.283	C	S	.	.			trans	-62.1	120.6	168.1	-84.8	-43.6	0	0	0	109.1	E405 G408 S409 V411 C420	E405-N418 PolarHBondContact OE2-ND2 2.84Å; G408-N418 PolarHBondContact N-O 2.78Å; S409-N418 PolarHBondContact O-N 3.49Å; S409-N418 PolarHBondContact OG-ND2 3.09Å; V411-N418 VanDerWaalsContact CG2-OD1 3.31Å; V411-N418 WeakPolarHBondContact CG2-OD1 3.34Å; N418-C420 VanDerWaalsContact C-N 3.32Å
419	L	72.9	Confident	71.4	Confident	89 Å²	89	47.9 Å²	47.9	47%	0.466	26%	0.263	S	S	.	.	S	Bend	trans	-82.5	-15.8	175.6	-61.8	-179.1	0	0	0	112.7	L417 F489	L417-L419 PolarHBondContact O-N 2.82Å; L419-F489 HydrophobicContact CB-CB 3.72Å; L419-F489 HydrophobicContact CB-CD1 4.19Å; L419-F489 HydrophobicContact CB-CD2 3.81Å; L419-F489 HydrophobicContact CB-CE2 4.47Å; L419-F489 HydrophobicContact CB-CG 3.64Å; L419-F489 HydrophobicContact CD1-CB 4.1Å; L419-F489 HydrophobicContact CD1-CD1 3.77Å; L419-F489 HydrophobicContact CD1-CE1 4.41Å; L419-F489 HydrophobicContact CD1-CG 4Å; L419-F489 HydrophobicContact CG-CG 4.47Å; L419-F489 WeakPolarHBondContact O-CD2 3.33Å
420	C	78	Confident	71.4	Confident	9 Å²	9	48 Å²	48	6%	0.061	26%	0.263	C	S	.	.	S	Bend	trans	-127.6	137.4	178.2	-68.7	0	0	0	0	110.6	N418 C455 C487	N418-C420 VanDerWaalsContact C-N 3.32Å; C420-C455 WeakPolarHBondContact CA-SG 3.39Å; C420-C455 HydrophobicContact CB-CB 3.84Å; C420-C455 WeakPolarHBondContact CB-SG 3.47Å; C420-C455 VanDerWaalsContact SG-CA 3.52Å; C420-C455 WeakPolarHBondContact SG-CB 3.12Å; C420-C455 CovalentContact SG-SG 2.03Å; C420-C455 PolarHBondContact SG-SG 3.05Å; C420-C487 HydrophobicContact CB-CB 3.87Å
421	G	83.2	Confident	71.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.			trans	-68.8	137.9	163.2	0	0	0	0	0	109.9	E405 M444 D446	E405-G421 CarbonylContact O-C 3.56Å; E405-G421 WeakPolarHBondContact O-CA 3.31Å; G421-M444 PolarHBondContact O-N 3.37Å; G421-D446 PolarHBondContact N-OD2 2.85Å
422	R	86.3	Confident	71.8	Confident	51 Å²	51	49.7 Å²	49.7	19%	0.192	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141.7	-179.7	61.7	-172.8	177.3	168.4	6.4	110.8	L294 C404 E405 I441 R442 C487	L294-R422 HydrophobicContact CD1-CG 4.47Å; L294-R422 HydrophobicContact CD2-CG 4.05Å; C404-R422 CarbonylContact C-O 3.4Å; C404-R422 WeakPolarHBondContact CA-O 3.37Å; E405-R422 HydrophobicContact CB-CG 4.35Å; E405-R422 PolarHBondContact N-O 2.88Å; E405-R422 PolarHBondContact O-N 2.84Å; E405-R422 IonicContact OE2-CZ 3.21Å; E405-R422 VanDerWaalsContact OE2-CZ 3.31Å; E405-R422 IonicContact OE2-NE 2.67Å; E405-R422 PolarHBondContact OE2-NE 3.44Å; E405-R422 IonicContact OE2-NH2 3.43Å; E405-R422 PolarHBondContact OE2-NH2 3.45Å; R422-I441 HydrophobicContact CB-CG2 4.16Å; R422-R442 CarbonylContact C-O 3.26Å; R422-R442 WeakPolarHBondContact CA-O 3.12Å; R422-C487 HydrophobicContact CB-CB 4.48Å
423	C	84	Confident	72.2	Confident	13 Å²	13	47.1 Å²	47.1	9%	0.088	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.6	178.1	-68.8	0	0	0	0	109.7	A401 T403 C404 I441 R442	A401-C423 HydrophobicContact CB-CB 3.95Å; T403-C423 CarbonylContact O-C 3.54Å; T403-C423 WeakPolarHBondContact O-CA 3.35Å; C404-C423 HydrophobicContact CB-CB 4.13Å; C404-C423 WeakPolarHBondContact CB-SG 3.07Å; C404-C423 WeakPolarHBondContact SG-CB 3.48Å; C404-C423 CovalentContact SG-SG 2.05Å; C404-C423 PolarHBondContact SG-SG 3.1Å; C423-I441 CarbonylContact O-C 3.54Å; C423-I441 WeakPolarHBondContact O-CA 3.13Å; C423-R442 PolarHBondContact N-O 3.32Å; C423-R442 PolarHBondContact O-N 2.98Å
424	W	80.9	Confident	72.7	Confident	8 Å²	8	44.2 Å²	44.2	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	139.2	162	168.4	63.3	0	0	0	109.7	W291 N292 P293 L294 M299 M402 T403 N439	W291-W424 PolarHBondContact O-NE1 2.96Å; N292-W424 HydrophobicContact CB-CD2 3.92Å; N292-W424 HydrophobicContact CB-CE3 3.72Å; N292-W424 HydrophobicContact CB-CH2 4.04Å; N292-W424 HydrophobicContact CB-CZ2 4.24Å; N292-W424 HydrophobicContact CB-CZ3 3.78Å; P293-W424 HydrophobicContact CG-CG 4.33Å; L294-W424 HydrophobicContact CD1-CB 3.8Å; L294-W424 HydrophobicContact CG-CB 4.02Å; M299-W424 HydrophobicContact CB-CH2 4.06Å; M299-W424 HydrophobicContact CB-CZ2 4.43Å; M299-W424 HydrophobicContact CG-CH2 3.96Å; M402-W424 HydrophobicContact CB-CD2 4.37Å; M402-W424 HydrophobicContact CB-CE3 3.6Å; M402-W424 HydrophobicContact CB-CH2 4.3Å; M402-W424 HydrophobicContact CB-CZ3 3.55Å; M402-W424 HydrophobicContact CG-CE3 4.48Å; M402-W424 HydrophobicContact CG-CZ3 4.24Å; M402-W424 PolarHBondContact N-O 3.24Å; T403-W424 PolarHBondContact N-O 3.29Å; T403-W424 PolarHBondContact O-N 2.85Å; W424-N439 PolarHBondContact NE1-OD1 3.27Å
425	G	78.1	Confident	73.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-172.6	177.5	0	0	0	0	0	113.9	K400 E440	K400-G425 CarbonylContact O-C 3.57Å; K400-G425 WeakPolarHBondContact O-CA 3.07Å; G425-E440 PolarHBondContact N-O 3.14Å; G425-E440 PolarHBondContact O-N 3.49Å
426	V	73	Confident	73.1	Confident	16 Å²	16	40.9 Å²	40.9	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.2	-179.6	-179.4	0	0	0	0	109.9	F290 M299 K400 M437 I438	F290-V426 HydrophobicContact CD2-CG2 4.04Å; F290-V426 HydrophobicContact CE2-CG1 4.24Å; F290-V426 HydrophobicContact CE2-CG2 4.25Å; M299-V426 HydrophobicContact CE-CG2 3.96Å; M299-V426 HydrophobicContact SD-CG2 4.45Å; K400-V426 PolarHBondContact N-O 2.95Å; K400-V426 PolarHBondContact O-N 3.42Å; V426-M437 HydrophobicContact CG1-CB 4.04Å; V426-M437 HydrophobicContact CG1-CG 4.19Å; V426-I438 CarbonylContact C-O 3.59Å; V426-I438 WeakPolarHBondContact CA-O 3.48Å
427	R	77.2	Confident	73	Confident	22 Å²	22	37.2 Å²	37.2	8%	0.083	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.3	171	-167.6	-172.2	-155.1	156.2	-2.7	110.3	E396 H398 F399 M429 M437 I438 E440 D482	E396-R427 PolarHBondContact O-NE 3.34Å; E396-R427 PolarHBondContact O-NH2 3.47Å; H398-R427 CarbonylContact O-C 3.5Å; H398-R427 WeakPolarHBondContact O-CA 3.34Å; F399-R427 HydrophobicContact CD2-CB 4.4Å; R427-M429 HydrophobicContact CG-SD 4.15Å; R427-M437 WeakPolarHBondContact O-CA 3.09Å; R427-I438 HydrophobicContact CB-CB 4.28Å; R427-I438 PolarHBondContact N-O 2.87Å; R427-I438 PolarHBondContact O-N 3.49Å; R427-E440 WeakPolarHBondContact CB-OE2 3.4Å; R427-E440 VanDerWaalsContact CD-OE2 3.31Å; R427-E440 WeakPolarHBondContact CD-OE2 3.39Å; R427-E440 IonicContact NE-OE2 3.35Å; R427-E440 IonicContact NH1-OE1 3.31Å; R427-E440 PolarHBondContact NH1-OE1 3.46Å; R427-E440 IonicContact NH1-OE2 3.53Å; R427-D482 PolarHBondContact NH1-O 2.67Å
428	T	73.2	Confident	73.4	Confident	63 Å²	63	33.7 Å²	33.7	39%	0.387	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.4	174.6	-52.6	0	0	0	0	109.8	G397 H398	G397-T428 CarbonylContact C-O 3.6Å; G397-T428 WeakPolarHBondContact CA-O 3.39Å; H398-T428 PolarHBondContact N-O 3.44Å; H398-T428 PolarHBondContact O-N 3.03Å
429	M	74.2	Confident	73.5	Confident	7 Å²	7	33.3 Å²	33.3	3%	0.034	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-84.6	152.4	-179.5	-57.6	-57.5	-69.2	0	0	111.3	L395 R427 H431 I433 A436 I438 I481	L395-M429 WeakPolarHBondContact O-CE 3.47Å; R427-M429 HydrophobicContact CG-SD 4.15Å; M429-H431 PolarHBondContact O-N 2.71Å; M429-I433 HydrophobicContact CB-CB 4.03Å; M429-I433 HydrophobicContact CB-CG2 4.16Å; M429-I433 HydrophobicContact CE-CD1 3.97Å; M429-I433 HydrophobicContact CE-CG2 4.15Å; M429-I433 HydrophobicContact CG-CG2 4.48Å; M429-A436 PolarHBondContact N-O 2.87Å; M429-I438 HydrophobicContact CG-CD1 3.92Å; M429-I438 HydrophobicContact CG-CG1 4.31Å; M429-I438 HydrophobicContact SD-CD1 3.83Å; M429-I481 HydrophobicContact CE-CD1 3.69Å; M429-I481 HydrophobicContact SD-CD1 4.19Å
430	P	74.6	Confident	73.8	Confident	38 Å²	38	29.2 Å²	29.2	25%	0.247	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-52.1	141.6	171.7	-25.5	32.7	0	0	0	111.8	K432 I433	P430-K432 HydrophobicContact CB-CG 4.31Å; P430-K432 PolarHBondContact O-N 3.01Å; P430-I433 HydrophobicContact CB-CD1 4.35Å; P430-I433 HydrophobicContact CB-CG1 4.36Å; P430-I433 HydrophobicContact CG-CD1 4.06Å; P430-I433 WeakPolarHBondContact O-CB 3.41Å; P430-I433 PolarHBondContact O-N 2.98Å
431	H	66.7	Low	74.1	Confident	127 Å²	127	29.7 Å²	29.7	59%	0.588	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-22.4	-175.3	-70.7	-55.5	0	0	0	117	K375 M429 I433	K375-H431 WeakPolarHBondContact CE-CE1 3.39Å; K375-H431 WeakPolarHBondContact CE-NE2 3.39Å; K375-H431 PolarHBondContact NZ-NE2 3.37Å; M429-H431 PolarHBondContact O-N 2.71Å; H431-I433 VanDerWaalsContact C-N 3.27Å
432	K	71.4	Confident	74.2	Confident	72 Å²	72	33.1 Å²	33.1	31%	0.313	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.8	176.4	61.9	177.1	-175.7	165.6	0	113.2	S393 P430 L466 K467	S393-K432 VanDerWaalsContact CB-NZ 3.3Å; S393-K432 PolarHBondContact OG-NZ 3.24Å; P430-K432 HydrophobicContact CB-CG 4.31Å; P430-K432 PolarHBondContact O-N 3.01Å; K432-L466 HydrophobicContact CB-CD1 4.3Å; K432-L466 HydrophobicContact CD-CD1 3.73Å; K432-L466 HydrophobicContact CG-CD1 3.75Å; K432-L466 CarbonylContact O-C 3.58Å; K432-K467 WeakPolarHBondContact O-CB 3.17Å; K432-K467 PolarHBondContact O-N 3.11Å
433	I	67.2	Low	74.1	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.5	-176.9	-54.4	-172.1	0	0	0	109.1	L395 M429 P430 H431 V464 L465 L466	L395-I433 HydrophobicContact CB-CD1 4.41Å; L395-I433 HydrophobicContact CD2-CD1 3.4Å; L395-I433 HydrophobicContact CD2-CG1 4.39Å; L395-I433 HydrophobicContact CG-CD1 4.5Å; M429-I433 HydrophobicContact CB-CB 4.03Å; M429-I433 HydrophobicContact CB-CG2 4.16Å; M429-I433 HydrophobicContact CE-CD1 3.97Å; M429-I433 HydrophobicContact CE-CG2 4.15Å; M429-I433 HydrophobicContact CG-CG2 4.48Å; P430-I433 HydrophobicContact CB-CD1 4.35Å; P430-I433 HydrophobicContact CB-CG1 4.36Å; P430-I433 HydrophobicContact CG-CD1 4.06Å; P430-I433 WeakPolarHBondContact O-CB 3.41Å; P430-I433 PolarHBondContact O-N 2.98Å; H431-I433 VanDerWaalsContact C-N 3.27Å; I433-V464 HydrophobicContact CG2-CB 3.55Å; I433-V464 HydrophobicContact CG2-CG1 4.1Å; I433-V464 HydrophobicContact CG2-CG2 3.74Å; I433-L465 CarbonylContact C-O 3.46Å; I433-L465 WeakPolarHBondContact CA-O 3.42Å; I433-L466 HydrophobicContact CG1-CD1 3.9Å
434	K	66.2	Low	74.1	Confident	95 Å²	95	34.1 Å²	34.1	41%	0.413	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.5	169.5	-84.9	-164.7	161.5	-163.5	0	110.4	V464 L465	K434-V464 CarbonylContact O-C 3.53Å; K434-V464 VanDerWaalsContact O-CA 3.32Å; K434-V464 WeakPolarHBondContact O-CA 3.42Å; K434-L465 HydrophobicContact CB-CB 4.42Å; K434-L465 PolarHBondContact N-O 2.92Å; K434-L465 PolarHBondContact O-N 3.19Å
435	P	67.2	Low	73.6	Confident	28 Å²	28	41.1 Å²	41.1	18%	0.182	21%	0.211	C	C	.	.	S	Bend	cis	-59.5	158.2	-7.9	24.3	-34.4	0	0	0	113.1	A279 A280	A279-P435 HydrophobicContact CB-CB 3.85Å; A279-P435 HydrophobicContact CB-CG 3.47Å; A279-P435 VanDerWaalsContact CB-CG 3.47Å; A280-P435 WeakPolarHBondContact O-CB 3.27Å
436	A	63.2	Low	72.7	Confident	29 Å²	29	42.7 Å²	42.7	24%	0.24	22%	0.219	C	C	.	.	S	Bend	trans	-89.9	-25.6	-173.9	0	0	0	0	0	112.2	A280 M429	A280-A436 PolarHBondContact O-N 2.82Å; A280-A436 VanDerWaalsContact O-N 3.13Å; M429-A436 PolarHBondContact N-O 2.87Å
437	M	62.7	Low	71.6	Confident	23 Å²	23	47.8 Å²	47.8	11%	0.113	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.5	177.2	-71.9	162.2	-65.3	0	0	110	A279 A280 T282 I283 A286 F290 V426 R427	A279-M437 WeakPolarHBondContact CA-O 3.28Å; A280-M437 HydrophobicContact CB-CE 4.42Å; A280-M437 PolarHBondContact N-O 3.4Å; A280-M437 PolarHBondContact O-N 3.42Å; A280-M437 VanDerWaalsContact O-N 3.14Å; T282-M437 WeakPolarHBondContact O-CE 3.37Å; I283-M437 HydrophobicContact CB-CE 4.24Å; I283-M437 HydrophobicContact CB-SD 4.38Å; I283-M437 VanDerWaalsContact N-CE 3.3Å; A286-M437 HydrophobicContact CB-CE 4.16Å; A286-M437 HydrophobicContact CB-SD 4.19Å; F290-M437 HydrophobicContact CE2-CB 4.27Å; F290-M437 HydrophobicContact CZ-CB 4.4Å; V426-M437 HydrophobicContact CG1-CB 4.04Å; V426-M437 HydrophobicContact CG1-CG 4.19Å; R427-M437 WeakPolarHBondContact O-CA 3.09Å
438	I	71.1	Confident	70.1	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130.9	-179.5	-58.4	175.4	0	0	0	108.2	I278 A279 V426 R427 M429 I481 I483	I278-I438 HydrophobicContact CG2-CG2 4.41Å; I278-I438 CarbonylContact O-C 3.44Å; I278-I438 WeakPolarHBondContact O-CA 3.39Å; A279-I438 HydrophobicContact CB-CG1 4.49Å; V426-I438 CarbonylContact C-O 3.59Å; V426-I438 WeakPolarHBondContact CA-O 3.48Å; R427-I438 HydrophobicContact CB-CB 4.28Å; R427-I438 PolarHBondContact N-O 2.87Å; R427-I438 PolarHBondContact O-N 3.49Å; M429-I438 HydrophobicContact CG-CD1 3.92Å; M429-I438 HydrophobicContact CG-CG1 4.31Å; M429-I438 HydrophobicContact SD-CD1 3.83Å; I438-I481 HydrophobicContact CD1-CD1 3.35Å; I438-I483 HydrophobicContact CD1-CG2 4.2Å; I438-I483 HydrophobicContact CG2-CB 4.34Å; I438-I483 HydrophobicContact CG2-CD1 4.22Å; I438-I483 HydrophobicContact CG2-CG2 3.82Å
439	N	73.2	Confident	68.9	Low	7 Å²	7	52.7 Å²	52.7	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.6	171.1	-168.7	-5.7	0	0	0	108.9	F276 R277 I278 F290 W291 W424	F276-N439 WeakPolarHBondContact CE2-ND2 3.12Å; F276-N439 WeakPolarHBondContact CZ-ND2 3.15Å; R277-N439 PolarHBondContact O-ND2 2.9Å; I278-N439 WeakPolarHBondContact O-CB 3.45Å; I278-N439 PolarHBondContact O-N 3.09Å; F290-N439 HydrophobicContact CD1-CB 4.16Å; F290-N439 HydrophobicContact CD2-CB 4.02Å; F290-N439 HydrophobicContact CE1-CB 4.15Å; F290-N439 HydrophobicContact CE2-CB 4.01Å; F290-N439 HydrophobicContact CG-CB 4.1Å; F290-N439 HydrophobicContact CZ-CB 4.08Å; W291-N439 PolarHBondContact O-ND2 2.87Å; W291-N439 VanDerWaalsContact O-ND2 3.15Å; W424-N439 PolarHBondContact NE1-OD1 3.27Å
440	E	79.3	Confident	67.8	Low	3 Å²	3	55.5 Å²	55.5	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.3	-168.6	-167.9	178.2	-170.5	0	0	111	F399 G425 R427 R442 G484	F399-E440 HydrophobicContact CD2-CB 4.09Å; F399-E440 HydrophobicContact CD2-CG 4.43Å; F399-E440 WeakPolarHBondContact CD2-OE2 3.35Å; F399-E440 HydrophobicContact CE2-CB 3.88Å; F399-E440 HydrophobicContact CE2-CG 4.36Å; G425-E440 PolarHBondContact N-O 3.14Å; G425-E440 PolarHBondContact O-N 3.49Å; R427-E440 WeakPolarHBondContact CB-OE2 3.4Å; R427-E440 VanDerWaalsContact CD-OE2 3.31Å; R427-E440 WeakPolarHBondContact CD-OE2 3.39Å; R427-E440 IonicContact NE-OE2 3.35Å; R427-E440 IonicContact NH1-OE1 3.31Å; R427-E440 PolarHBondContact NH1-OE1 3.46Å; R427-E440 IonicContact NH1-OE2 3.53Å; E440-R442 VanDerWaalsContact CD-NE 3.28Å; E440-R442 HydrophobicContact CG-CG 4.1Å; E440-R442 IonicContact OE1-CZ 3.86Å; E440-R442 IonicContact OE1-NE 3.77Å; E440-R442 PolarHBondContact OE1-NE 3.31Å; E440-R442 IonicContact OE1-NH2 3.37Å; E440-R442 PolarHBondContact OE1-NH2 3.31Å; E440-R442 IonicContact OE2-CZ 2.93Å; E440-R442 IonicContact OE2-NE 3.89Å; E440-R442 PolarHBondContact OE2-NE 2.9Å; E440-R442 IonicContact OE2-NH2 3.77Å; E440-R442 PolarHBondContact OE2-NH2 3.44Å; E440-G484 WeakPolarHBondContact CA-O 3.44Å; E440-G484 VanDerWaalsContact CG-O 3.24Å; E440-G484 WeakPolarHBondContact CG-O 3.17Å; E440-G484 PolarHBondContact OE1-N 3.11Å
441	I	82.5	Confident	67	Low	20 Å²	20	64 Å²	64	10%	0.103	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.3	168.4	-54.4	178.2	0	0	0	108.1	P293 R422 C423 G484	P293-I441 HydrophobicContact CB-CD1 3.92Å; P293-I441 HydrophobicContact CG-CD1 3.32Å; P293-I441 HydrophobicContact CG-CG1 3.63Å; R422-I441 HydrophobicContact CB-CG2 4.16Å; C423-I441 CarbonylContact O-C 3.54Å; C423-I441 WeakPolarHBondContact O-CA 3.13Å; I441-G484 PolarHBondContact N-O 3.19Å; I441-G484 CarbonylContact O-C 3.53Å; I441-G484 WeakPolarHBondContact O-CA 3.31Å
442	R	85.2	Confident	66.9	Low	71 Å²	71	60.6 Å²	60.6	27%	0.268	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.6	176.1	-68	-159.2	172.6	-174	-3.3	112.7	F399 R422 C423 E440 E457	F399-R442 HydrophobicContact CD1-CG 4.34Å; F399-R442 HydrophobicContact CD2-CG 4.36Å; F399-R442 HydrophobicContact CE1-CB 4.16Å; F399-R442 HydrophobicContact CE1-CG 4.09Å; F399-R442 HydrophobicContact CE2-CG 4.13Å; F399-R442 HydrophobicContact CG-CG 4.46Å; F399-R442 HydrophobicContact CZ-CB 4.18Å; F399-R442 HydrophobicContact CZ-CG 3.98Å; R422-R442 CarbonylContact C-O 3.26Å; R422-R442 WeakPolarHBondContact CA-O 3.12Å; C423-R442 PolarHBondContact N-O 3.32Å; C423-R442 PolarHBondContact O-N 2.98Å; E440-R442 VanDerWaalsContact CD-NE 3.28Å; E440-R442 HydrophobicContact CG-CG 4.1Å; E440-R442 IonicContact OE1-CZ 3.86Å; E440-R442 IonicContact OE1-NE 3.77Å; E440-R442 PolarHBondContact OE1-NE 3.31Å; E440-R442 IonicContact OE1-NH2 3.37Å; E440-R442 PolarHBondContact OE1-NH2 3.31Å; E440-R442 IonicContact OE2-CZ 2.93Å; E440-R442 IonicContact OE2-NE 3.89Å; E440-R442 PolarHBondContact OE2-NE 2.9Å; E440-R442 IonicContact OE2-NH2 3.77Å; E440-R442 PolarHBondContact OE2-NH2 3.44Å; R442-E457 VanDerWaalsContact CA-OE2 3.24Å; R442-E457 WeakPolarHBondContact CA-OE2 3.38Å; R442-E457 WeakPolarHBondContact CB-OE2 3.19Å
443	C	85.2	Confident	66.9	Low	22 Å²	22	58 Å²	58	15%	0.149	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	139	172.3	-54.5	0	0	0	0	110.1	E457 C487	C443-E457 HydrophobicContact CB-CB 4.29Å; C443-E457 PolarHBondContact N-OE2 3.03Å; C443-E457 WeakPolarHBondContact SG-CA 3.09Å; C443-C487 WeakPolarHBondContact CA-SG 3.3Å; C443-C487 HydrophobicContact CB-CB 4.21Å; C443-C487 WeakPolarHBondContact CB-SG 3.14Å; C443-C487 WeakPolarHBondContact SG-CA 3.32Å; C443-C487 WeakPolarHBondContact SG-CB 3.41Å; C443-C487 CovalentContact SG-SG 2.03Å; C443-C487 PolarHBondContact SG-SG 2.87Å
444	M	84	Confident	67.4	Low	63 Å²	63	63.2 Å²	63.2	31%	0.31	34%	0.339	S	S	.	.			trans	-71.8	137.8	169.9	-63.3	-178.8	71.6	0	0	108.2	C404 G421 D446	C404-M444 HydrophobicContact CB-SD 4.33Å; G421-M444 PolarHBondContact O-N 3.37Å; M444-D446 PolarHBondContact O-N 3.01Å
445	D	70.5	Confident	68	Low	156 Å²	156	59.9 Å²	59.9	83%	0.834	33%	0.327	S	S	*	.			trans	-67.5	79.5	173.3	-82.7	-35.4	0	0	0	110.1	S447	D445-S447 PolarHBondContact O-N 3.42Å
446	D	60	Low	68.6	Low	32 Å²	32	59.7 Å²	59.7	17%	0.171	32%	0.324	C	S	.	.			trans	-79.2	33.2	176	-78.9	-38.3	0	0	0	112	A407 G421 M444 G448 K449	A407-D446 WeakPolarHBondContact CB-OD2 3.28Å; G421-D446 PolarHBondContact N-OD2 2.85Å; M444-D446 PolarHBondContact O-N 3.01Å; D446-G448 PolarHBondContact O-N 2.75Å; D446-K449 PolarHBondContact O-N 2.79Å
447	S	48.1	Very low	69.5	Low	123 Å²	123	60.3 Å²	60.3	86%	0.86	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-1.4	-173.9	54	0	0	0	0	115.8	D445	D445-S447 PolarHBondContact O-N 3.42Å
448	G	46.5	Very low	70.1	Confident	68 Å²	68	61.2 Å²	61.2	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-7.9	173	0	0	0	0	0	118	D446	D446-G448 PolarHBondContact O-N 2.75Å
449	K	47.2	Very low	70.5	Confident	121 Å²	121	65.5 Å²	65.5	53%	0.526	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-32.5	-168	-76.7	-174.1	-179.9	174.7	0	114.5	E406 D446	E406-K449 IonicContact OE2-NZ 3.49Å; D446-K449 PolarHBondContact O-N 2.79Å
450	H	51.8	Low	70.4	Confident	66 Å²	66	66.2 Å²	66.2	31%	0.306	35%	0.347	S	S	.	.			trans	-121.1	92.5	-175.7	-60.1	-63.3	0	0	0	111.4	A407 I452 G453 F489	A407-H450 WeakPolarHBondContact CB-NE2 3.31Å; H450-I452 PolarHBondContact O-N 2.93Å; H450-G453 PolarHBondContact O-N 3.24Å; H450-F489 HydrophobicContact CB-CE2 4.09Å; H450-F489 HydrophobicContact CB-CZ 4.26Å
451	K	58.2	Low	70.2	Confident	217 Å²	217	70.5 Å²	70.5	94%	0.943	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-3.6	171.3	-67.3	-172.3	177.4	-175	0	114.4
452	I	63.6	Low	69.4	Low	55 Å²	55	70.8 Å²	70.8	28%	0.282	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-30.1	-171.7	-63.6	175	0	0	0	111.7	F157 H450 I491 P492 L497	F157-I452 HydrophobicContact CE2-CD1 4.07Å; F157-I452 HydrophobicContact CZ-CD1 3.75Å; H450-I452 PolarHBondContact O-N 2.93Å; I452-I491 HydrophobicContact CG2-CG2 4.16Å; I452-P492 VanDerWaalsContact O-CD 3.23Å; I452-P492 WeakPolarHBondContact O-CD 3.1Å; I452-L497 HydrophobicContact CD1-CD1 4.5Å; I452-L497 HydrophobicContact CG2-CD1 3.17Å; I452-L497 HydrophobicContact CG2-CG 4.12Å
453	G	71.3	Confident	68.6	Low	18 Å²	18	73.2 Å²	73.2	19%	0.186	38%	0.381	C	S	.	.			trans	-166.6	-174.7	-170.8	0	0	0	0	0	111.9	H450 A490	H450-G453 PolarHBondContact O-N 3.24Å; G453-A490 CarbonylContact C-O 3.54Å; G453-A490 WeakPolarHBondContact CA-O 3.09Å
454	K	77.5	Confident	67.9	Low	111 Å²	111	72.2 Å²	72.2	48%	0.483	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.8	-177.4	-172.4	177	176.9	-171.2	0	109.9	Y215 F456 A490	Y215-K454 HydrophobicContact CE1-CB 4.2Å; K454-F456 HydrophobicContact CB-CE2 3.8Å; K454-F456 HydrophobicContact CB-CZ 4.18Å; K454-F456 HydrophobicContact CD-CE1 4.29Å; K454-F456 HydrophobicContact CD-CE2 4.32Å; K454-F456 HydrophobicContact CD-CZ 3.9Å; K454-F456 HydrophobicContact CG-CE2 4.13Å; K454-F456 HydrophobicContact CG-CZ 4.21Å; K454-F456 WeakPolarHBondContact O-CD2 3.35Å; K454-A490 PolarHBondContact N-O 3.23Å; K454-A490 PolarHBondContact O-N 3.08Å
455	C	79.5	Confident	67.1	Low	24 Å²	24	71.6 Å²	71.6	16%	0.162	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.3	171	-67	0	0	0	0	110	C420 E488	C420-C455 WeakPolarHBondContact CA-SG 3.39Å; C420-C455 HydrophobicContact CB-CB 3.84Å; C420-C455 WeakPolarHBondContact CB-SG 3.47Å; C420-C455 VanDerWaalsContact SG-CA 3.52Å; C420-C455 WeakPolarHBondContact SG-CB 3.12Å; C420-C455 CovalentContact SG-SG 2.03Å; C420-C455 PolarHBondContact SG-SG 3.05Å; C455-E488 CarbonylContact C-O 3.5Å; C455-E488 WeakPolarHBondContact CA-O 3.02Å
456	F	79.1	Confident	67.3	Low	25 Å²	25	65.3 Å²	65.3	11%	0.11	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.8	176.2	-66.8	-91.2	0	0	0	109	D212 Y215 K454 C487 E488 A490	D212-F456 HydrophobicContact CB-CE1 3.98Å; D212-F456 HydrophobicContact CB-CZ 4.23Å; Y215-F456 HydrophobicContact CD1-CE2 4.02Å; Y215-F456 HydrophobicContact CD1-CZ 4.26Å; Y215-F456 HydrophobicContact CD2-CE2 4.14Å; Y215-F456 AromaticContact CD2-CZ 3.6Å; Y215-F456 HydrophobicContact CD2-CZ 3.6Å; Y215-F456 HydrophobicContact CE1-CE2 4.27Å; Y215-F456 HydrophobicContact CE1-CZ 4.32Å; Y215-F456 HydrophobicContact CE2-CE2 4.37Å; Y215-F456 AromaticContact CE2-CZ 3.66Å; Y215-F456 HydrophobicContact CE2-CZ 3.66Å; Y215-F456 AromaticContact CG-CE2 3.96Å; Y215-F456 HydrophobicContact CG-CE2 3.96Å; Y215-F456 AromaticContact CG-CZ 3.92Å; Y215-F456 HydrophobicContact CG-CZ 3.92Å; K454-F456 HydrophobicContact CB-CE2 3.8Å; K454-F456 HydrophobicContact CB-CZ 4.18Å; K454-F456 HydrophobicContact CD-CE1 4.29Å; K454-F456 HydrophobicContact CD-CE2 4.32Å; K454-F456 HydrophobicContact CD-CZ 3.9Å; K454-F456 HydrophobicContact CG-CE2 4.13Å; K454-F456 HydrophobicContact CG-CZ 4.21Å; K454-F456 WeakPolarHBondContact O-CD2 3.35Å; F456-C487 WeakPolarHBondContact O-CA 3.36Å; F456-E488 PolarHBondContact N-O 3.13Å; F456-E488 PolarHBondContact O-N 3.44Å; F456-A490 HydrophobicContact CD2-CB 3.96Å; F456-A490 HydrophobicContact CE2-CB 3.81Å
457	E	82.3	Confident	67.6	Low	41 Å²	41	69 Å²	69	19%	0.192	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	124.3	171.4	-172	164.8	131.4	0	0	109.5	R442 C443 H459 G484	R442-E457 VanDerWaalsContact CA-OE2 3.24Å; R442-E457 WeakPolarHBondContact CA-OE2 3.38Å; R442-E457 WeakPolarHBondContact CB-OE2 3.19Å; C443-E457 HydrophobicContact CB-CB 4.29Å; C443-E457 PolarHBondContact N-OE2 3.03Å; C443-E457 WeakPolarHBondContact SG-CA 3.09Å; E457-H459 PolarHBondContact O-CE1 3.45Å; E457-H459 VanDerWaalsContact O-CE1 3.29Å; E457-H459 PolarHBondContact O-ND1 2.73Å; E457-H459 IonicContact OE1-NE2 3.36Å; E457-G484 WeakPolarHBondContact OE1-CA 3.2Å
458	R	75.9	Confident	68.4	Low	43 Å²	43	66.9 Å²	66.9	16%	0.162	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130.6	172.5	-67.5	-171.2	74.4	155.7	0.2	109	G484 V485 G486 E488	R458-G484 CarbonylContact O-C 3.57Å; R458-G484 WeakPolarHBondContact O-CA 3.3Å; R458-V485 HydrophobicContact CB-CG2 4.08Å; R458-V485 PolarHBondContact O-N 3.38Å; R458-G486 PolarHBondContact N-O 3.38Å; R458-E488 VanDerWaalsContact CD-CD 3.46Å; R458-E488 VanDerWaalsContact CD-OE1 3.24Å; R458-E488 WeakPolarHBondContact CD-OE1 3.39Å; R458-E488 HydrophobicContact CG-CG 3.88Å; R458-E488 IonicContact CZ-OE1 2.94Å; R458-E488 IonicContact NE-OE1 3.12Å; R458-E488 PolarHBondContact NE-OE1 2.87Å; R458-E488 IonicContact NH1-OE1 3.44Å; R458-E488 PolarHBondContact NH1-OE1 3.38Å
459	H	78.8	Confident	68.9	Low	90 Å²	90	75.3 Å²	75.3	42%	0.417	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141	-179.7	-61.7	83.1	0	0	0	111.3	E457 D482 I483	E457-H459 PolarHBondContact O-CE1 3.45Å; E457-H459 VanDerWaalsContact O-CE1 3.29Å; E457-H459 PolarHBondContact O-ND1 2.73Å; E457-H459 IonicContact OE1-NE2 3.36Å; H459-D482 HydrophobicContact CB-CB 4.05Å; H459-I483 CarbonylContact C-O 3.55Å; H459-I483 VanDerWaalsContact CA-O 3.23Å; H459-I483 WeakPolarHBondContact CA-O 3.25Å
460	L	72.5	Confident	69.1	Low	22 Å²	22	79.6 Å²	79.6	12%	0.115	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.6	164.6	-178.4	70.2	0	0	0	108.7	I278 I483 V485	I278-L460 HydrophobicContact CD1-CD2 4.38Å; L460-I483 HydrophobicContact CB-CD1 4.34Å; L460-I483 HydrophobicContact CB-CG1 3.91Å; L460-I483 HydrophobicContact CD2-CD1 4.37Å; L460-I483 PolarHBondContact N-O 2.82Å; L460-I483 WeakPolarHBondContact O-CG1 3.49Å; L460-I483 PolarHBondContact O-N 3.21Å; L460-V485 HydrophobicContact CB-CG1 3.6Å; L460-V485 HydrophobicContact CB-CG2 4.23Å; L460-V485 HydrophobicContact CD2-CG1 4.31Å
461	K	73.8	Confident	69	Low	93 Å²	93	84.2 Å²	84.2	40%	0.404	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.3	174.5	-74.9	-176.9	179.9	-178.9	0	110.8	I481 D482	K461-I481 CarbonylContact C-O 3.59Å; K461-I481 WeakPolarHBondContact CA-O 3.38Å; K461-D482 WeakPolarHBondContact CE-OD1 3.25Å; K461-D482 WeakPolarHBondContact CG-OD1 3.48Å
462	V	65.4	Low	68.7	Low	25 Å²	25	83.5 Å²	83.5	15%	0.152	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.8	175.7	173.3	0	0	0	0	110.3	V464 D480 I481 I483	V462-V464 HydrophobicContact CG1-CG1 4.48Å; V462-V464 PolarHBondContact O-N 3.03Å; V462-D480 WeakPolarHBondContact O-CA 3.37Å; V462-I481 HydrophobicContact CB-CG1 4.3Å; V462-I481 PolarHBondContact N-O 3.4Å; V462-I481 WeakPolarHBondContact O-CG1 3.3Å; V462-I481 PolarHBondContact O-N 2.55Å; V462-I483 HydrophobicContact CB-CG2 4.36Å; V462-I483 HydrophobicContact CG2-CD1 3.45Å; V462-I483 VanDerWaalsContact CG2-CD1 3.45Å; V462-I483 HydrophobicContact CG2-CG1 3.7Å; V462-I483 HydrophobicContact CG2-CG2 4.27Å
463	K	70.1	Confident	68.1	Low	122 Å²	122	88.9 Å²	88.9	53%	0.53	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	121.4	173.7	-79.2	-175.1	180	-163.2	0	110.6	Y479 D480	K463-Y479 CarbonylContact C-O 3.53Å; K463-Y479 WeakPolarHBondContact CA-O 3.2Å; K463-D480 WeakPolarHBondContact CE-OD1 3.43Å; K463-D480 WeakPolarHBondContact CG-OD1 3.15Å
464	V	70	Confident	67.4	Low	2 Å²	2	94.2 Å²	94.2	1%	0.012	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.8	172.4	-61.7	0	0	0	0	111.4	I433 K434 V462 F478 Y479 I481	I433-V464 HydrophobicContact CG2-CB 3.55Å; I433-V464 HydrophobicContact CG2-CG1 4.1Å; I433-V464 HydrophobicContact CG2-CG2 3.74Å; K434-V464 CarbonylContact O-C 3.53Å; K434-V464 VanDerWaalsContact O-CA 3.32Å; K434-V464 WeakPolarHBondContact O-CA 3.42Å; V462-V464 HydrophobicContact CG1-CG1 4.48Å; V462-V464 PolarHBondContact O-N 3.03Å; V464-F478 CarbonylContact O-C 3.53Å; V464-F478 VanDerWaalsContact O-CA 3.28Å; V464-F478 WeakPolarHBondContact O-CA 3.28Å; V464-Y479 WeakPolarHBondContact CG2-O 3.31Å; V464-Y479 PolarHBondContact N-O 3.16Å; V464-Y479 PolarHBondContact O-N 3Å; V464-I481 HydrophobicContact CG1-CD1 3.44Å; V464-I481 VanDerWaalsContact CG1-CD1 3.44Å; V464-I481 HydrophobicContact CG1-CG1 3.76Å; V464-I481 HydrophobicContact CG2-CD1 4.46Å; V464-I481 HydrophobicContact CG2-CG1 4.35Å; V464-I481 HydrophobicContact CG2-CG2 3.84Å
465	L	67.5	Low	66.6	Low	49 Å²	49	98 Å²	98	26%	0.257	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.7	176.9	174.7	64.9	0	0	0	110.2	I433 K434 P476 F478	I433-L465 CarbonylContact C-O 3.46Å; I433-L465 WeakPolarHBondContact CA-O 3.42Å; K434-L465 HydrophobicContact CB-CB 4.42Å; K434-L465 PolarHBondContact N-O 2.92Å; K434-L465 PolarHBondContact O-N 3.19Å; L465-P476 HydrophobicContact CD1-CB 3.39Å; L465-F478 HydrophobicContact CB-CD1 4.22Å; L465-F478 HydrophobicContact CB-CE1 4.02Å; L465-F478 HydrophobicContact CD1-CD1 4.46Å; L465-F478 HydrophobicContact CD1-CE1 4.18Å; L465-F478 HydrophobicContact CD1-CE2 4.36Å; L465-F478 HydrophobicContact CD1-CZ 4.13Å
466	L	73.6	Confident	66.1	Low	25 Å²	25	101 Å²	101	13%	0.131	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	108.6	170.1	-170.1	69.5	0	0	0	110.2	L395 K432 I433 Q468 E477 Y479	L395-L466 HydrophobicContact CD2-CD1 4.41Å; K432-L466 HydrophobicContact CB-CD1 4.3Å; K432-L466 HydrophobicContact CD-CD1 3.73Å; K432-L466 HydrophobicContact CG-CD1 3.75Å; K432-L466 CarbonylContact O-C 3.58Å; I433-L466 HydrophobicContact CG1-CD1 3.9Å; L466-Q468 PolarHBondContact O-N 2.8Å; L466-E477 PolarHBondContact N-O 3.22Å; L466-Y479 HydrophobicContact CB-CD2 3.83Å; L466-Y479 HydrophobicContact CB-CE2 3.55Å; L466-Y479 HydrophobicContact CD2-CE2 3.67Å; L466-Y479 HydrophobicContact CG-CE2 4.24Å
467	K	66.5	Low	65.7	Low	109 Å²	109	102.5 Å²	102.5	47%	0.474	47%	0.465	S	S	.	.			trans	-64.2	101.8	170.6	-67.8	-179.6	174.7	174	0	110.1	K432	K432-K467 WeakPolarHBondContact O-CB 3.17Å; K432-K467 PolarHBondContact O-N 3.11Å
468	Q	64.9	Low	65.3	Low	78 Å²	78	106.5 Å²	106.5	36%	0.364	48%	0.482	S	S	.	.			trans	-77.2	140.1	167.4	-65.7	-163.1	-2.2	0	0	110.6	L466 K470 E477	L466-Q468 PolarHBondContact O-N 2.8Å; Q468-K470 PolarHBondContact O-N 2.84Å; Q468-K470 VanDerWaalsContact O-N 3.1Å; Q468-E477 PolarHBondContact NE2-OE1 2.99Å; Q468-E477 PolarHBondContact NE2-OE2 3.23Å
469	R	57.1	Low	65.1	Low	245 Å²	245	108.4 Å²	108.4	93%	0.925	49%	0.49	S	S	*	.			trans	-60.6	116	169.8	-79.2	-176	173	173.8	-2	108.2	K471	R469-K471 VanDerWaalsContact C-N 3.31Å; R469-K471 PolarHBondContact O-N 3.28Å
470	K	51.1	Low	65	Low	211 Å²	211	108.8 Å²	108.8	92%	0.917	50%	0.495	S	S	*	.			trans	-18.6	78.7	176.8	-66.7	-177.4	177.8	179.6	0	114.3	Q468	Q468-K470 PolarHBondContact O-N 2.84Å; Q468-K470 VanDerWaalsContact O-N 3.1Å
471	K	50.6	Low	65.1	Low	164 Å²	164	108.6 Å²	108.6	71%	0.713	49%	0.494	S	S	*	.			trans	-89.7	109.9	152.6	-85.9	-171.7	174.5	-176.2	0	104.7	R469 N473 K474	R469-K471 VanDerWaalsContact C-N 3.31Å; R469-K471 PolarHBondContact O-N 3.28Å; K471-N473 PolarHBondContact O-N 3.36Å; K471-N473 VanDerWaalsContact O-N 3.08Å; K471-K474 PolarHBondContact O-N 3.41Å
472	K	51.1	Low	65.3	Low	202 Å²	202	108.1 Å²	108.1	88%	0.878	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	120.5	172.7	-75.3	-179.2	172.9	-178.6	0	106.9
473	N	52.5	Low	65.9	Low	168 Å²	168	106.9 Å²	106.9	90%	0.898	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	13.1	174.9	-48.9	-13.9	0	0	0	119.2	K471	K471-N473 PolarHBondContact O-N 3.36Å; K471-N473 VanDerWaalsContact O-N 3.08Å
474	K	56.2	Low	66.3	Low	130 Å²	130	101.1 Å²	101.1	57%	0.565	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-95.4	127.5	163.5	-86.4	-164.4	168.2	-157.9	0	111.9	K471 E477	K471-K474 PolarHBondContact O-N 3.41Å; K474-E477 IonicContact NZ-OE1 2.81Å
475	K	61.1	Low	66.8	Low	189 Å²	189	103.9 Å²	103.9	82%	0.822	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-60.2	148.6	171.3	-69.1	-176.5	178.6	-177.8	0	109.7	E477	K475-E477 PolarHBondContact O-N 3.14Å
476	P	68.4	Low	67.4	Low	89 Å²	89	102.1 Å²	102.1	58%	0.578	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-55.1	133	171	21.3	-30.8	0	0	0	110.4	L465 F478	L465-P476 HydrophobicContact CD1-CB 3.39Å; P476-F478 HydrophobicContact CB-CE2 4.12Å; P476-F478 HydrophobicContact CG-CE2 4.23Å
477	E	71.2	Confident	67.8	Low	55 Å²	55	102.3 Å²	102.3	26%	0.257	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	121.3	176.2	-73.1	173.2	-164.8	0	0	108.9	L466 Q468 K474 K475 Y479	L466-E477 PolarHBondContact N-O 3.22Å; Q468-E477 PolarHBondContact NE2-OE1 2.99Å; Q468-E477 PolarHBondContact NE2-OE2 3.23Å; K474-E477 IonicContact NZ-OE1 2.81Å; K475-E477 PolarHBondContact O-N 3.14Å; E477-Y479 HydrophobicContact CB-CE2 3.69Å; E477-Y479 PolarHBondContact OE2-OH 3.03Å
478	F	72.4	Confident	68.1	Low	125 Å²	125	99.1 Å²	99.1	55%	0.548	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	141	173.8	-66.6	-90.8	0	0	0	109.6	V464 L465 P476	V464-F478 CarbonylContact O-C 3.53Å; V464-F478 VanDerWaalsContact O-CA 3.28Å; V464-F478 WeakPolarHBondContact O-CA 3.28Å; L465-F478 HydrophobicContact CB-CD1 4.22Å; L465-F478 HydrophobicContact CB-CE1 4.02Å; L465-F478 HydrophobicContact CD1-CD1 4.46Å; L465-F478 HydrophobicContact CD1-CE1 4.18Å; L465-F478 HydrophobicContact CD1-CE2 4.36Å; L465-F478 HydrophobicContact CD1-CZ 4.13Å; P476-F478 HydrophobicContact CB-CE2 4.12Å; P476-F478 HydrophobicContact CG-CE2 4.23Å
479	Y	73.1	Confident	68.7	Low	84 Å²	84	97.2 Å²	97.2	33%	0.329	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.8	177.2	-64.9	-95.7	0	0	0	108.2	L395 K463 V464 L466 E477	L395-Y479 HydrophobicContact CD1-CD1 4.46Å; K463-Y479 CarbonylContact C-O 3.53Å; K463-Y479 WeakPolarHBondContact CA-O 3.2Å; V464-Y479 WeakPolarHBondContact CG2-O 3.31Å; V464-Y479 PolarHBondContact N-O 3.16Å; V464-Y479 PolarHBondContact O-N 3Å; L466-Y479 HydrophobicContact CB-CD2 3.83Å; L466-Y479 HydrophobicContact CB-CE2 3.55Å; L466-Y479 HydrophobicContact CD2-CE2 3.67Å; L466-Y479 HydrophobicContact CG-CE2 4.24Å; E477-Y479 HydrophobicContact CB-CE2 3.69Å; E477-Y479 PolarHBondContact OE2-OH 3.03Å
480	D	75.9	Confident	69.3	Low	98 Å²	98	85.6 Å²	85.6	52%	0.524	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.3	167.9	-63.2	-36.8	0	0	0	108.3	V462 K463	V462-D480 WeakPolarHBondContact O-CA 3.37Å; K463-D480 WeakPolarHBondContact CE-OD1 3.43Å; K463-D480 WeakPolarHBondContact CG-OD1 3.15Å
481	I	74.1	Confident	70.1	Confident	18 Å²	18	75.7 Å²	75.7	9%	0.092	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.7	169.3	57.6	166.4	0	0	0	109.3	M429 I438 K461 V462 V464 I483	M429-I481 HydrophobicContact CE-CD1 3.69Å; M429-I481 HydrophobicContact SD-CD1 4.19Å; I438-I481 HydrophobicContact CD1-CD1 3.35Å; K461-I481 CarbonylContact C-O 3.59Å; K461-I481 WeakPolarHBondContact CA-O 3.38Å; V462-I481 HydrophobicContact CB-CG1 4.3Å; V462-I481 PolarHBondContact N-O 3.4Å; V462-I481 WeakPolarHBondContact O-CG1 3.3Å; V462-I481 PolarHBondContact O-N 2.55Å; V464-I481 HydrophobicContact CG1-CD1 3.44Å; V464-I481 VanDerWaalsContact CG1-CD1 3.44Å; V464-I481 HydrophobicContact CG1-CG1 3.76Å; V464-I481 HydrophobicContact CG2-CD1 4.46Å; V464-I481 HydrophobicContact CG2-CG1 4.35Å; V464-I481 HydrophobicContact CG2-CG2 3.84Å; I481-I483 HydrophobicContact CD1-CG2 4.14Å; I481-I483 HydrophobicContact CG1-CG2 4.31Å
482	D	78.7	Confident	70.9	Confident	82 Å²	82	69.3 Å²	69.3	44%	0.439	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.5	174.4	-63.2	-47.5	0	0	0	109.6	R427 H459 K461	R427-D482 PolarHBondContact NH1-O 2.67Å; H459-D482 HydrophobicContact CB-CB 4.05Å; K461-D482 WeakPolarHBondContact CE-OD1 3.25Å; K461-D482 WeakPolarHBondContact CG-OD1 3.48Å
483	I	77.6	Confident	71.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.4	177.3	63.1	154	0	0	0	109.5	I278 I438 H459 L460 V462 I481 V485	I278-I483 HydrophobicContact CG2-CD1 3.46Å; I278-I483 VanDerWaalsContact CG2-CD1 3.46Å; I438-I483 HydrophobicContact CD1-CG2 4.2Å; I438-I483 HydrophobicContact CG2-CB 4.34Å; I438-I483 HydrophobicContact CG2-CD1 4.22Å; I438-I483 HydrophobicContact CG2-CG2 3.82Å; H459-I483 CarbonylContact C-O 3.55Å; H459-I483 VanDerWaalsContact CA-O 3.23Å; H459-I483 WeakPolarHBondContact CA-O 3.25Å; L460-I483 HydrophobicContact CB-CD1 4.34Å; L460-I483 HydrophobicContact CB-CG1 3.91Å; L460-I483 HydrophobicContact CD2-CD1 4.37Å; L460-I483 PolarHBondContact N-O 2.82Å; L460-I483 WeakPolarHBondContact O-CG1 3.49Å; L460-I483 PolarHBondContact O-N 3.21Å; V462-I483 HydrophobicContact CB-CG2 4.36Å; V462-I483 HydrophobicContact CG2-CD1 3.45Å; V462-I483 VanDerWaalsContact CG2-CD1 3.45Å; V462-I483 HydrophobicContact CG2-CG1 3.7Å; V462-I483 HydrophobicContact CG2-CG2 4.27Å; I481-I483 HydrophobicContact CD1-CG2 4.14Å; I481-I483 HydrophobicContact CG1-CG2 4.31Å; I483-V485 HydrophobicContact CD1-CG1 3.99Å; I483-V485 HydrophobicContact CG1-CG1 4.15Å; I483-V485 PolarHBondContact O-N 3.2Å
484	G	78.4	Confident	72.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	125.8	171.8	0	0	0	0	0	111.7	E440 I441 E457 R458	E440-G484 WeakPolarHBondContact CA-O 3.44Å; E440-G484 VanDerWaalsContact CG-O 3.24Å; E440-G484 WeakPolarHBondContact CG-O 3.17Å; E440-G484 PolarHBondContact OE1-N 3.11Å; I441-G484 PolarHBondContact N-O 3.19Å; I441-G484 CarbonylContact O-C 3.53Å; I441-G484 WeakPolarHBondContact O-CA 3.31Å; E457-G484 WeakPolarHBondContact OE1-CA 3.2Å; R458-G484 CarbonylContact O-C 3.57Å; R458-G484 WeakPolarHBondContact O-CA 3.3Å
485	V	80.3	Confident	72.7	Confident	60 Å²	60	56 Å²	56	36%	0.364	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-2.1	178.7	-64.9	0	0	0	0	113.2	R458 L460 I483	R458-V485 HydrophobicContact CB-CG2 4.08Å; R458-V485 PolarHBondContact O-N 3.38Å; L460-V485 HydrophobicContact CB-CG1 3.6Å; L460-V485 HydrophobicContact CB-CG2 4.23Å; L460-V485 HydrophobicContact CD2-CG1 4.31Å; I483-V485 HydrophobicContact CD1-CG1 3.99Å; I483-V485 HydrophobicContact CG1-CG1 4.15Å; I483-V485 PolarHBondContact O-N 3.2Å
486	G	81.2	Confident	72.8	Confident	12 Å²	12	51.2 Å²	51.2	12%	0.124	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	178.2	178.3	0	0	0	0	0	112.8	R458	R458-G486 PolarHBondContact N-O 3.38Å
487	C	80.5	Confident	72.5	Confident	29 Å²	29	48.7 Å²	48.7	20%	0.196	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.6	-179.1	-63.2	0	0	0	0	110.7	C420 R422 C443 F456	C420-C487 HydrophobicContact CB-CB 3.87Å; R422-C487 HydrophobicContact CB-CB 4.48Å; C443-C487 WeakPolarHBondContact CA-SG 3.3Å; C443-C487 HydrophobicContact CB-CB 4.21Å; C443-C487 WeakPolarHBondContact CB-SG 3.14Å; C443-C487 WeakPolarHBondContact SG-CA 3.32Å; C443-C487 WeakPolarHBondContact SG-CB 3.41Å; C443-C487 CovalentContact SG-SG 2.03Å; C443-C487 PolarHBondContact SG-SG 2.87Å; F456-C487 WeakPolarHBondContact O-CA 3.36Å
488	E	74.6	Confident	71.8	Confident	43 Å²	43	49.4 Å²	49.4	20%	0.201	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.7	173.4	-75.4	-178.2	173.7	0	0	110.2	M209 C455 F456 R458	M209-E488 HydrophobicContact CE-CB 4.43Å; M209-E488 WeakPolarHBondContact CE-OE2 3.42Å; C455-E488 CarbonylContact C-O 3.5Å; C455-E488 WeakPolarHBondContact CA-O 3.02Å; F456-E488 PolarHBondContact N-O 3.13Å; F456-E488 PolarHBondContact O-N 3.44Å; R458-E488 VanDerWaalsContact CD-CD 3.46Å; R458-E488 VanDerWaalsContact CD-OE1 3.24Å; R458-E488 WeakPolarHBondContact CD-OE1 3.39Å; R458-E488 HydrophobicContact CG-CG 3.88Å; R458-E488 IonicContact CZ-OE1 2.94Å; R458-E488 IonicContact NE-OE1 3.12Å; R458-E488 PolarHBondContact NE-OE1 2.87Å; R458-E488 IonicContact NH1-OE1 3.44Å; R458-E488 PolarHBondContact NH1-OE1 3.38Å
489	F	76.3	Confident	70.9	Confident	37 Å²	37	47.7 Å²	47.7	16%	0.162	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.5	174.2	-170.9	-95.5	0	0	0	109.4	I218 L419 H450 I491	I218-F489 HydrophobicContact CD1-CD1 4.36Å; L419-F489 HydrophobicContact CB-CB 3.72Å; L419-F489 HydrophobicContact CB-CD1 4.19Å; L419-F489 HydrophobicContact CB-CD2 3.81Å; L419-F489 HydrophobicContact CB-CE2 4.47Å; L419-F489 HydrophobicContact CB-CG 3.64Å; L419-F489 HydrophobicContact CD1-CB 4.1Å; L419-F489 HydrophobicContact CD1-CD1 3.77Å; L419-F489 HydrophobicContact CD1-CE1 4.41Å; L419-F489 HydrophobicContact CD1-CG 4Å; L419-F489 HydrophobicContact CG-CG 4.47Å; L419-F489 WeakPolarHBondContact O-CD2 3.33Å; H450-F489 HydrophobicContact CB-CE2 4.09Å; H450-F489 HydrophobicContact CB-CZ 4.26Å; F489-I491 HydrophobicContact CD1-CG2 4.33Å; F489-I491 HydrophobicContact CE1-CG2 3.71Å
490	A	70.6	Confident	69.9	Low	1 Å²	1	50.2 Å²	50.2	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.7	177	0	0	0	0	0	111.3	M209 Y215 G453 K454 F456	M209-A490 HydrophobicContact CG-CB 4.33Å; Y215-A490 HydrophobicContact CD1-CB 3.91Å; Y215-A490 HydrophobicContact CG-CB 4.1Å; G453-A490 CarbonylContact C-O 3.54Å; G453-A490 WeakPolarHBondContact CA-O 3.09Å; K454-A490 PolarHBondContact N-O 3.23Å; K454-A490 PolarHBondContact O-N 3.08Å; F456-A490 HydrophobicContact CD2-CB 3.96Å; F456-A490 HydrophobicContact CE2-CB 3.81Å
491	I	67.2	Low	68.8	Low	4 Å²	4	46.6 Å²	46.6	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.2	177.9	60.4	168.8	0	0	0	110.5	Y215 I218 I452 F489 L497 V501	Y215-I491 VanDerWaalsContact CD1-C 3.41Å; Y215-I491 WeakPolarHBondContact CD1-O 3.24Å; I218-I491 HydrophobicContact CD1-CG1 4.49Å; I218-I491 HydrophobicContact CD1-CG2 4.38Å; I452-I491 HydrophobicContact CG2-CG2 4.16Å; F489-I491 HydrophobicContact CD1-CG2 4.33Å; F489-I491 HydrophobicContact CE1-CG2 3.71Å; I491-L497 HydrophobicContact CD1-CB 3.99Å; I491-V501 HydrophobicContact CD1-CG2 3.67Å
492	P	67.6	Low	67.3	Low	29 Å²	29	49.7 Å²	49.7	19%	0.188	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	143.5	173.1	-27.8	36.2	0	0	0	111.8	Y214 Y215 I452 E494 S495	Y214-P492 HydrophobicContact CD1-CB 4.48Å; Y214-P492 HydrophobicContact CE1-CB 3.77Å; Y214-P492 HydrophobicContact CE1-CG 4.49Å; Y215-P492 HydrophobicContact CE1-CG 4.01Å; I452-P492 VanDerWaalsContact O-CD 3.23Å; I452-P492 WeakPolarHBondContact O-CD 3.1Å; P492-E494 PolarHBondContact O-N 3.45Å; P492-S495 WeakPolarHBondContact O-CB 3.12Å; P492-S495 PolarHBondContact O-N 3.11Å
493	F	65.2	Low	65.6	Low	58 Å²	58	53.6 Å²	53.6	25%	0.254	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-36	172.3	-88.7	-76.6	0	0	0	112.8	P208 T213 Y214 Y215 M216 S495 Q498	P208-F493 HydrophobicContact CB-CE2 4.4Å; P208-F493 HydrophobicContact CB-CZ 4.3Å; T213-F493 WeakPolarHBondContact O-CE2 3.25Å; Y214-F493 WeakPolarHBondContact O-CD2 2.9Å; Y214-F493 PolarHBondContact O-N 3.42Å; Y215-F493 WeakPolarHBondContact O-CE2 3.2Å; M216-F493 HydrophobicContact CB-CD1 4.38Å; M216-F493 HydrophobicContact CB-CE1 3.68Å; M216-F493 HydrophobicContact CB-CE2 4.15Å; M216-F493 HydrophobicContact CB-CZ 3.53Å; M216-F493 HydrophobicContact CE-CB 4.21Å; M216-F493 HydrophobicContact CE-CD1 3.22Å; M216-F493 HydrophobicContact CE-CE1 3.63Å; M216-F493 HydrophobicContact CE-CG 3.81Å; M216-F493 HydrophobicContact CE-CZ 4.49Å; M216-F493 HydrophobicContact CG-CE1 4.49Å; M216-F493 HydrophobicContact SD-CD1 4.36Å; M216-F493 HydrophobicContact SD-CE1 4.22Å; F493-S495 VanDerWaalsContact C-N 3.25Å; F493-S495 PolarHBondContact O-N 2.99Å; F493-Q498 PolarHBondContact O-OE1 3.39Å
494	E	66.7	Low	63.7	Low	141 Å²	141	59.5 Å²	59.5	66%	0.659	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-1	-179.3	-56.9	-179	176.8	0	0	113.9	Y214 P492 V496	Y214-E494 PolarHBondContact OH-OE2 2.9Å; P492-E494 PolarHBondContact O-N 3.45Å; E494-V496 PolarHBondContact O-N 3.01Å
495	S	65	Low	61.7	Low	21 Å²	21	72.7 Å²	72.7	15%	0.147	38%	0.379	C	S	.	.			trans	-63.8	136.2	-179.4	-178.6	0	0	0	0	110.6	P492 F493 L497 Q498	P492-S495 WeakPolarHBondContact O-CB 3.12Å; P492-S495 PolarHBondContact O-N 3.11Å; F493-S495 VanDerWaalsContact C-N 3.25Å; F493-S495 PolarHBondContact O-N 2.99Å; S495-L497 PolarHBondContact O-N 3.49Å; S495-L497 PolarHBondContact OG-N 2.94Å; S495-Q498 WeakPolarHBondContact O-CB 3.15Å; S495-Q498 PolarHBondContact O-N 3.08Å
496	V	63.4	Low	60.8	Low	89 Å²	89	73.4 Å²	73.4	54%	0.539	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.9	169.3	-89.9	0	0	0	0	112.8	E494 Q498 S499	E494-V496 PolarHBondContact O-N 3.01Å; V496-Q498 PolarHBondContact O-N 2.7Å; V496-S499 PolarHBondContact O-OG 2.73Å; V496-S499 VanDerWaalsContact O-OG 3.12Å
497	L	62.6	Low	59.7	Low	37 Å²	37	76.6 Å²	76.6	19%	0.194	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.7	173.4	-56.4	-165.6	0	0	0	113.2	I452 I491 S495 S499 L500 V501	I452-L497 HydrophobicContact CD1-CD1 4.5Å; I452-L497 HydrophobicContact CG2-CD1 3.17Å; I452-L497 HydrophobicContact CG2-CG 4.12Å; I491-L497 HydrophobicContact CD1-CB 3.99Å; S495-L497 PolarHBondContact O-N 3.49Å; S495-L497 PolarHBondContact OG-N 2.94Å; L497-S499 PolarHBondContact O-N 3.44Å; L497-S499 VanDerWaalsContact O-N 3.11Å; L497-L500 HydrophobicContact CD2-CD1 3.79Å; L497-L500 WeakPolarHBondContact O-CB 3.43Å; L497-L500 PolarHBondContact O-N 3.21Å; L497-V501 WeakPolarHBondContact O-CG2 3.08Å; L497-V501 PolarHBondContact O-N 3.38Å
498	Q	55.7	Low	58.5	Low	69 Å²	69	79.2 Å²	79.2	32%	0.322	41%	0.405	S	S	.	.	H	α-helix	trans	-51.8	-35.9	173.9	-178.6	-174.9	34.2	0	0	111.2	M216 F493 S495 V496 L500 V501 H502	M216-Q498 HydrophobicContact CE-CB 4.23Å; M216-Q498 HydrophobicContact CE-CG 3.66Å; M216-Q498 HydrophobicContact SD-CG 4.19Å; F493-Q498 PolarHBondContact O-OE1 3.39Å; S495-Q498 WeakPolarHBondContact O-CB 3.15Å; S495-Q498 PolarHBondContact O-N 3.08Å; V496-Q498 PolarHBondContact O-N 2.7Å; Q498-L500 VanDerWaalsContact C-N 3.33Å; Q498-L500 PolarHBondContact O-N 2.06Å; Q498-V501 PolarHBondContact O-N 2.7Å; Q498-H502 WeakPolarHBondContact O-CB 3.11Å; Q498-H502 PolarHBondContact O-N 3.49Å; Q498-H502 PolarHBondContact O-ND1 3.13Å
499	S	54.1	Low	57.6	Low	90 Å²	90	81.4 Å²	81.4	63%	0.629	42%	0.417	S	S	*	.	H	α-helix	trans	-72.2	-22.3	178.2	66.2	0	0	0	0	114.2	V496 L497	V496-S499 PolarHBondContact O-OG 2.73Å; V496-S499 VanDerWaalsContact O-OG 3.12Å; L497-S499 PolarHBondContact O-N 3.44Å; L497-S499 VanDerWaalsContact O-N 3.11Å
500	L	51.9	Low	56.4	Low	136 Å²	136	84.1 Å²	84.1	71%	0.712	43%	0.432	S	S	*	.	H	α-helix	trans	-78.8	-27.6	172	-63.8	-180	0	0	0	111.6	L497 Q498	L497-L500 HydrophobicContact CD2-CD1 3.79Å; L497-L500 WeakPolarHBondContact O-CB 3.43Å; L497-L500 PolarHBondContact O-N 3.21Å; Q498-L500 VanDerWaalsContact C-N 3.33Å; Q498-L500 PolarHBondContact O-N 2.06Å
501	V	52.3	Low	55.5	Low	22 Å²	22	89.7 Å²	89.7	13%	0.133	46%	0.461	C	S	.	.	H	α-helix	trans	-78.6	-55.4	178.1	178.7	0	0	0	0	107.2	H205 M216 I218 I491 L497 Q498 K503	H205-V501 WeakPolarHBondContact CE1-CG1 3.42Å; H205-V501 PolarHBondContact CE1-O 3.12Å; H205-V501 WeakPolarHBondContact NE2-CG1 3.48Å; H205-V501 PolarHBondContact NE2-O 2.74Å; M216-V501 HydrophobicContact SD-CG1 4.18Å; I218-V501 HydrophobicContact CG1-CG1 4.4Å; I218-V501 HydrophobicContact CG2-CG1 4.32Å; I218-V501 HydrophobicContact CG2-CG2 4.3Å; I491-V501 HydrophobicContact CD1-CG2 3.67Å; L497-V501 WeakPolarHBondContact O-CG2 3.08Å; L497-V501 PolarHBondContact O-N 3.38Å; Q498-V501 PolarHBondContact O-N 2.7Å; V501-K503 PolarHBondContact O-N 2.93Å
502	H	44.1	Very low	54.6	Low	83 Å²	83	95.8 Å²	95.8	38%	0.384	49%	0.492	S	S	.	.			trans	-70.3	93.8	174.7	-77.1	62.9	0	0	0	112.5	Q498 P504	Q498-H502 WeakPolarHBondContact O-CB 3.11Å; Q498-H502 PolarHBondContact O-N 3.49Å; Q498-H502 PolarHBondContact O-ND1 3.13Å; H502-P504 WeakPolarHBondContact O-CD 3.43Å
503	K	41.5	Very low	53.6	Low	165 Å²	165	100.9 Å²	100.9	72%	0.717	52%	0.516	S	S	*	.			trans	-60.2	124.1	156.9	-85.2	-179.1	-178.2	165.7	0	108.3	V501 K505	V501-K503 PolarHBondContact O-N 2.93Å; K503-K505 PolarHBondContact O-N 3.49Å
504	P	39.1	Very low	52.7	Low	124 Å²	124	104.5 Å²	104.5	81%	0.805	54%	0.537	S	S	*	.			trans	-59.8	131.6	167.1	24.4	-29.6	0	0	0	108.4	H502	H502-P504 WeakPolarHBondContact O-CD 3.43Å
505	K	35.9	Very low	51.4	Low	277 Å²	277	101.2 Å²	101.2	100%	1.204	53%	0.526	S	S	*	.			trans	-56.7	0	-178.5	-78.4	-174.1	174.7	-177.1	0	113.2	K503	K503-K505 PolarHBondContact O-N 3.49Å

Retrieved 505 of 505 residues in 310.3 ms (Link to these results)

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