A0A3P9NY24_POERE Loading...

MPN domain-containing protein

Probable protease. Acts as a sensor of N(6)-methyladenosine methylation on DNA (m6A): recognizes and binds m6A DNA, leading to its degradation. Binds only double strand DNA (dsDNA) in a sequence-independent manner.

AlphaFold DB , UniProt , Accession A0A3P9NY24, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 451 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38	Very low	41.5	Very low	250 Å²	250	133.3 Å²	133.3	100%	1.232	82%	0.824	S	S	*	*				0	105.4	0	-65.9	177.5	177.3	0	0	105.2
2	G	36.8	Very low	40.7	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	83%	0.831	S	S	*	*			cis	112.4	122.9	31.7	0	0	0	0	0	108.1
3	S	39.3	Very low	40	Very low	121 Å²	121	138.8 Å²	138.8	85%	0.846	84%	0.835	S	S	*	*			trans	94.8	96.2	148.8	-41.6	0	0	0	0	119.2
4	E	39.8	Very low	39.5	Very low	190 Å²	190	140.7 Å²	140.7	89%	0.888	84%	0.838	S	S	*	*				22.2	165.3	108.4	-91.6	-159.1	135.4	0	0	123.2
5	P	68.4	Low	38.6	Very low	102 Å²	102	135.7 Å²	135.7	66%	0.662	83%	0.827	S	S	*	*			trans	-102.4	-164.5	-139.5	43.8	-36	0	0	0	114.6
6	P	53.8	Low	37.9	Very low	131 Å²	131	131.4 Å²	131.4	85%	0.851	82%	0.819	S	S	*	*				-151.3	176.1	100.5	36.1	-15.9	0	0	0	113
7	G	33.2	Very low	37.5	Very low	73 Å²	73	133.9 Å²	133.9	75%	0.753	82%	0.819	S	S	*	*			cis	170.8	152.4	5.6	0	0	0	0	0	108.8
8	S	38.9	Very low	37	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	82%	0.818	S	S	*	*			trans	-84.2	162.1	164.8	-33.9	0	0	0	0	109.8
9	P	43.1	Very low	36.6	Very low	111 Å²	111	137.7 Å²	137.7	72%	0.721	82%	0.822	S	S	*	*				-153.6	154.1	105.3	34.3	-14.4	0	0	0	118.1
10	Q	32.9	Very low	36.3	Very low	180 Å²	180	140.2 Å²	140.2	84%	0.841	83%	0.825	S	S	*	*			trans	70.9	117.3	141.7	-72.8	-176.6	-26.9	0	0	121
11	V	32.1	Very low	35.9	Very low	120 Å²	120	143.3 Å²	143.3	73%	0.727	83%	0.831	S	S	*	*				96.1	116.2	63	167.7	0	0	0	0	111.8
12	V	32.6	Very low	35.2	Very low	149 Å²	149	139.4 Å²	139.4	90%	0.903	81%	0.81	S	S	*	*				-162.3	131.6	126.3	-102.6	0	0	0	0	111.4
13	E	31.5	Very low	34.6	Very low	189 Å²	189	142.9 Å²	142.9	88%	0.883	81%	0.811	S	S	*	*			trans	-79.8	155.6	170.1	-66.4	172.3	127.9	0	0	112.2
14	D	32	Very low	33.9	Very low	166 Å²	166	143 Å²	143	89%	0.888	81%	0.812	S	S	*	*			trans	-170	130.5	136.2	-154.3	27.8	0	0	0	106.2
15	G	27	Very low	33.1	Very low	65 Å²	65	137.6 Å²	137.6	67%	0.67	81%	0.808	S	S	*	*			cis	123	116.8	17.4	0	0	0	0	0	109.7
16	G	27.7	Very low	30.9	Very low	67 Å²	67	136.3 Å²	136.3	69%	0.691	81%	0.813	S	S	*	*			trans	103.2	100.9	163.2	0	0	0	0	0	116.4
17	E	30.6	Very low	29.5	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	81%	0.813	S	S	*	*				85.5	106.3	78.7	-78.7	174.9	-166.8	0	0	111.7
18	E	28.6	Very low	29	Very low	172 Å²	172	143.9 Å²	143.9	80%	0.804	82%	0.817	S	S	*	*				82.8	119.6	91.1	-78.7	-175.8	-168.5	0	0	112.4
19	D	28.2	Very low	28.3	Very low	168 Å²	168	142.5 Å²	142.5	90%	0.898	81%	0.813	S	S	*	*			trans	-170.2	103.6	131.9	-92	-22	0	0	0	108.7
20	E	30.8	Very low	27.4	Very low	187 Å²	187	145.9 Å²	145.9	87%	0.874	82%	0.819	S	S	*	*			trans	-74.2	143.9	153.4	-63.7	-175.4	157.5	0	0	108.2
21	E	28.3	Very low	27	Very low	205 Å²	205	146.7 Å²	146.7	96%	0.958	82%	0.821	S	S	*	*			trans	-158.8	136.1	135.1	-112.8	-176.4	-153.8	0	0	111.7
22	E	24.4	Very low	26.7	Very low	169 Å²	169	152.2 Å²	152.2	79%	0.79	83%	0.828	S	S	*	*			trans	-102	152	-169.7	-115.4	-167.9	178.7	0	0	111.7
23	L	24.4	Very low	26.4	Very low	142 Å²	142	149.3 Å²	149.3	74%	0.743	82%	0.815	S	S	*	*			trans	71.6	115.4	145.1	-60.9	166.4	0	0	0	121.3
24	S	22.8	Very low	26.1	Very low	122 Å²	122	145.8 Å²	145.8	85%	0.853	81%	0.811	S	S	*	*				151.9	146.1	96.2	68	0	0	0	0	113.8
25	G	23.3	Very low	26.5	Very low	78 Å²	78	143.9 Å²	143.9	80%	0.804	81%	0.811	S	S	*	*			trans	108.2	98.5	143.2	0	0	0	0	0	119.1
26	G	22.6	Very low	26.5	Very low	75 Å²	75	144 Å²	144	77%	0.773	81%	0.812	S	S	*	*				83	105.9	117.2	0	0	0	0	0	120.8
27	E	24.1	Very low	26.7	Very low	183 Å²	183	153 Å²	153	86%	0.855	83%	0.825	S	S	*	*			trans	74	122.9	131.5	-71.5	179.4	171.4	0	0	122.7
28	E	23.2	Very low	26.7	Very low	179 Å²	179	148.4 Å²	148.4	84%	0.836	83%	0.825	S	S	*	*			trans	81.6	114.2	140.2	-65.6	-167.2	166.1	0	0	122.5
29	A	25.3	Very low	27	Very low	91 Å²	91	144.9 Å²	144.9	75%	0.752	82%	0.819	S	S	*	*			trans	65.2	106.8	135	0	0	0	0	0	119.7
30	E	24.1	Very low	27.7	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	81%	0.809	S	S	*	*				-171.3	104.6	100.9	-101.5	-174.3	173.9	0	0	110.7	R32	E30-R32 PolarHBondContact O-N 3.08Å; E30-R32 VanDerWaalsContact O-N 3.14Å
31	F	23.3	Very low	28.3	Very low	198 Å²	198	137.7 Å²	137.7	87%	0.868	79%	0.786	S	S	*	*			trans	-74.3	97.6	176.5	-148.6	-93.7	0	0	0	108.8	S33	F31-S33 VanDerWaalsContact C-N 3.25Å; F31-S33 PolarHBondContact O-N 3.35Å
32	R	25.9	Very low	29.5	Very low	235 Å²	235	132.1 Å²	132.1	89%	0.887	77%	0.766	S	S	*	*			trans	-72.8	85.5	162.9	-76	-174.3	171.9	-176.7	-1.3	108.6	E30 S34	E30-R32 PolarHBondContact O-N 3.08Å; E30-R32 VanDerWaalsContact O-N 3.14Å; R32-S34 PolarHBondContact O-N 3.14Å; R32-S34 VanDerWaalsContact O-N 3.08Å
33	S	26.1	Very low	30.6	Very low	88 Å²	88	130.5 Å²	130.5	62%	0.615	75%	0.752	S	S	*	*			trans	-72	98.4	167.5	57.1	0	0	0	0	109.3	F31 S35	F31-S33 VanDerWaalsContact C-N 3.25Å; F31-S33 PolarHBondContact O-N 3.35Å; S33-S35 PolarHBondContact O-N 2.9Å; S33-S35 VanDerWaalsContact O-N 3.12Å
34	S	26.4	Very low	31.8	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	76%	0.755	S	S	*	*			trans	-59.3	114.4	160.2	56	0	0	0	0	108.5	R32 G36	R32-S34 PolarHBondContact O-N 3.14Å; R32-S34 VanDerWaalsContact O-N 3.08Å; S34-G36 PolarHBondContact O-N 3.04Å
35	S	39.1	Very low	33.5	Very low	126 Å²	126	129.6 Å²	129.6	88%	0.881	73%	0.73	S	S	*	*			trans	-59.9	123.6	175.4	-34.4	0	0	0	0	110	S33	S33-S35 PolarHBondContact O-N 2.9Å; S33-S35 VanDerWaalsContact O-N 3.12Å
36	G	28.3	Very low	36.1	Very low	67 Å²	67	125.9 Å²	125.9	69%	0.691	69%	0.692	S	S	*	*			trans	163.1	94.5	168.9	0	0	0	0	0	115.2	S34	S34-G36 PolarHBondContact O-N 3.04Å
37	R	31.3	Very low	39	Very low	255 Å²	255	125.7 Å²	125.7	96%	0.962	68%	0.676	S	S	*	*				172.8	104.7	121.2	-93.5	169.1	-179.4	-174.4	0.8	109.2
38	G	30.6	Very low	41.8	Very low	80 Å²	80	117.1 Å²	117.1	83%	0.825	64%	0.636	S	S	*	*			trans	-67.2	127.3	-178.2	0	0	0	0	0	112.1
39	S	35.2	Very low	44.7	Very low	97 Å²	97	115.9 Å²	115.9	68%	0.678	62%	0.623	S	S	*	*			trans	-75.3	123.6	156.5	-175.9	0	0	0	0	107.7	L41	S39-L41 PolarHBondContact O-N 3.27Å
40	L	41.4	Very low	47.5	Very low	132 Å²	132	113 Å²	113	69%	0.691	60%	0.596	S	S	*	*			trans	-67.1	97.4	178.7	-73.4	160.8	0	0	0	109.4	T42 Q138	L40-T42 PolarHBondContact O-N 3.03Å; L40-Q138 HydrophobicContact CD2-CG 4.46Å
41	L	43.6	Very low	50.4	Low	73 Å²	73	104.3 Å²	104.3	38%	0.382	56%	0.556	S	S	.	*			trans	-70.8	114.4	172.1	-75.9	170.4	0	0	0	109.1	S39 W133	S39-L41 PolarHBondContact O-N 3.27Å; L41-W133 HydrophobicContact CB-CH2 4.09Å; L41-W133 HydrophobicContact CB-CZ3 4.2Å; L41-W133 HydrophobicContact CD1-CH2 3.55Å; L41-W133 HydrophobicContact CD1-CZ2 4.19Å; L41-W133 HydrophobicContact CD1-CZ3 4.4Å; L41-W133 HydrophobicContact CG-CH2 4.42Å
42	T	54	Low	53.3	Low	88 Å²	88	96.2 Å²	96.2	54%	0.54	52%	0.522	S	S	.	.			trans	-65.1	159.6	172.6	67.1	0	0	0	0	110.4	L40 R44 G45	L40-T42 PolarHBondContact O-N 3.03Å; T42-R44 PolarHBondContact O-N 3.49Å; T42-R44 PolarHBondContact OG1-N 3.12Å; T42-G45 PolarHBondContact O-N 3.34Å
43	R	47.9	Very low	56	Low	134 Å²	134	93.7 Å²	93.7	51%	0.506	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-5.8	174.1	-161.1	175.1	-163.2	-135	8.4	113	K130 T131 L134	R43-K130 HydrophobicContact CG-CD 4.3Å; R43-K130 WeakPolarHBondContact O-CE 3.39Å; R43-K130 PolarHBondContact O-NZ 2.96Å; R43-T131 PolarHBondContact NH2-OG1 2.95Å; R43-T131 VanDerWaalsContact NH2-OG1 3.11Å; R43-L134 HydrophobicContact CB-CD1 4.01Å; R43-L134 HydrophobicContact CG-CD1 3.76Å
44	R	48.7	Very low	58.7	Low	214 Å²	214	92 Å²	92	81%	0.808	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-17.7	172.3	-71.8	-176.7	177.4	172.1	0.4	114.4	T42	T42-R44 PolarHBondContact O-N 3.49Å; T42-R44 PolarHBondContact OG1-N 3.12Å
45	G	60.3	Low	61.3	Low	31 Å²	31	89.2 Å²	89.2	32%	0.32	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.9	178.7	0	0	0	0	0	115.3	T42 T47	T42-G45 PolarHBondContact O-N 3.34Å; G45-T47 PolarHBondContact O-N 3.37Å
46	I	76.3	Confident	63.4	Low	1 Å²	1	84.9 Å²	84.9	1%	0.005	46%	0.457	C	S	.	.			trans	-82.7	107.5	-179	-53.7	159.5	0	0	0	109.3	V50 L51 W116 K130 W133 L134	I46-V50 HydrophobicContact CG2-CB 4.45Å; I46-V50 HydrophobicContact CG2-CG1 4.31Å; I46-L51 HydrophobicContact CG2-CD2 3.75Å; I46-L51 HydrophobicContact CG2-CG 3.97Å; I46-W116 WeakPolarHBondContact O-CH2 3.28Å; I46-W116 WeakPolarHBondContact O-CZ2 3.29Å; I46-K130 HydrophobicContact CB-CD 4.44Å; I46-K130 HydrophobicContact CB-CG 3.96Å; I46-K130 HydrophobicContact CD1-CG 3.57Å; I46-K130 HydrophobicContact CG1-CG 4.39Å; I46-K130 HydrophobicContact CG2-CG 3.97Å; I46-W133 HydrophobicContact CD1-CD2 4.38Å; I46-W133 HydrophobicContact CD1-CE3 3.47Å; I46-W133 VanDerWaalsContact CD1-CE3 3.47Å; I46-W133 HydrophobicContact CD1-CZ3 3.87Å; I46-W133 HydrophobicContact CG1-CD2 4.46Å; I46-W133 HydrophobicContact CG1-CE3 3.72Å; I46-W133 HydrophobicContact CG1-CZ3 3.81Å; I46-L134 HydrophobicContact CD1-CD1 3.89Å; I46-L134 HydrophobicContact CD1-CD2 3.8Å; I46-L134 HydrophobicContact CD1-CG 3.57Å
47	T	83.9	Confident	66.3	Low	70 Å²	70	81.9 Å²	81.9	43%	0.429	43%	0.425	S	S	.	.			trans	-99.3	167	175.9	65.7	0	0	0	0	111.1	G45 R49 V50 L51	G45-T47 PolarHBondContact O-N 3.37Å; T47-R49 PolarHBondContact O-N 2.71Å; T47-R49 PolarHBondContact OG1-N 3.12Å; T47-V50 WeakPolarHBondContact O-CB 3.11Å; T47-V50 PolarHBondContact O-N 2.96Å; T47-V50 PolarHBondContact OG1-N 3.42Å; T47-L51 PolarHBondContact O-N 2.78Å; T47-L51 VanDerWaalsContact O-N 3.16Å
48	L	82.8	Confident	69	Low	3 Å²	3	74.8 Å²	74.8	2%	0.016	40%	0.403	C	S	.	.	H	α-helix	trans	-57.4	-33.3	172.1	-83.8	174.9	0	0	0	111.9	L51 L52 L77 I83 P95 W116 L126	L48-L51 PolarHBondContact O-N 2.77Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.11Å; L48-L52 PolarHBondContact O-N 3.41Å; L48-L77 HydrophobicContact CB-CD1 4.48Å; L48-L77 HydrophobicContact CD1-CD1 3.81Å; L48-L77 HydrophobicContact CD2-CD1 4.41Å; L48-L77 HydrophobicContact CG-CD1 4.48Å; L48-I83 HydrophobicContact CD1-CD1 3.87Å; L48-I83 HydrophobicContact CD1-CG1 3.84Å; L48-P95 HydrophobicContact CD1-CG 3.6Å; L48-P95 HydrophobicContact CG-CG 3.84Å; L48-W116 HydrophobicContact CG-CH2 4.4Å; L48-L126 HydrophobicContact CD2-CD1 3.91Å; L48-L126 HydrophobicContact CD2-CD2 3.96Å
49	R	83.9	Confident	71.8	Confident	153 Å²	153	73.6 Å²	73.6	58%	0.577	38%	0.381	S	S	*	.	H	α-helix	trans	-63.3	-39.2	174.4	-175.5	179.6	-71.3	-174	-5.1	112.5	T47 L52 K53 D80	T47-R49 PolarHBondContact O-N 2.71Å; T47-R49 PolarHBondContact OG1-N 3.12Å; R49-L52 PolarHBondContact O-N 3.23Å; R49-K53 WeakPolarHBondContact O-CB 3.43Å; R49-K53 PolarHBondContact O-N 2.99Å; R49-D80 PolarHBondContact NE-O 3.29Å; R49-D80 PolarHBondContact NH2-O 3.17Å
50	V	85.1	Confident	74.5	Confident	30 Å²	30	70 Å²	70	18%	0.182	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-45.2	175	173.8	0	0	0	0	110.2	I46 T47 L52 K53 D54 W133	I46-V50 HydrophobicContact CG2-CB 4.45Å; I46-V50 HydrophobicContact CG2-CG1 4.31Å; T47-V50 WeakPolarHBondContact O-CB 3.11Å; T47-V50 PolarHBondContact O-N 2.96Å; T47-V50 PolarHBondContact OG1-N 3.42Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 3.31Å; V50-K53 PolarHBondContact O-N 3.3Å; V50-D54 PolarHBondContact O-N 3.21Å; V50-D54 VanDerWaalsContact O-N 3.16Å; V50-W133 HydrophobicContact CG1-CZ2 3.86Å
51	L	84	Confident	76.8	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.4	-34.8	178.1	-61.4	179.6	0	0	0	112.8	I46 T47 L48 G55 L56 V57 W116 W133	I46-L51 HydrophobicContact CG2-CD2 3.75Å; I46-L51 HydrophobicContact CG2-CG 3.97Å; T47-L51 PolarHBondContact O-N 2.78Å; T47-L51 VanDerWaalsContact O-N 3.16Å; L48-L51 PolarHBondContact O-N 2.77Å; L51-G55 PolarHBondContact O-N 3.45Å; L51-L56 HydrophobicContact CB-CB 4.49Å; L51-L56 HydrophobicContact CD2-CB 4.39Å; L51-L56 HydrophobicContact CD2-CD2 4.32Å; L51-L56 PolarHBondContact O-N 3.49Å; L51-V57 HydrophobicContact CB-CG1 4.3Å; L51-V57 HydrophobicContact CB-CG2 3.61Å; L51-V57 HydrophobicContact CD1-CG1 4.43Å; L51-V57 PolarHBondContact O-N 3.41Å; L51-W116 HydrophobicContact CD1-CH2 4.31Å; L51-W116 HydrophobicContact CD1-CZ3 3.94Å; L51-W133 HydrophobicContact CD2-CB 3.96Å; L51-W133 HydrophobicContact CD2-CG 4.04Å
52	L	85.3	Confident	79	Confident	28 Å²	28	68.8 Å²	68.8	15%	0.147	36%	0.363	C	S	.	.	H	α-helix	trans	-66.8	-47.3	173.8	-77.9	164	0	0	0	111.5	L48 R49 V50 D54 G55 V57 P59 L77 G81	L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.11Å; L48-L52 PolarHBondContact O-N 3.41Å; R49-L52 PolarHBondContact O-N 3.23Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 3.31Å; L52-D54 PolarHBondContact O-N 3.21Å; L52-G55 PolarHBondContact O-N 3.04Å; L52-G55 VanDerWaalsContact O-N 3.11Å; L52-V57 HydrophobicContact CD2-CG2 4.02Å; L52-V57 WeakPolarHBondContact CD2-O 3.43Å; L52-V57 HydrophobicContact CG-CG2 3.85Å; L52-P59 HydrophobicContact CD2-CB 4.36Å; L52-P59 HydrophobicContact CD2-CG 4.38Å; L52-L77 HydrophobicContact CD1-CD1 4.37Å; L52-L77 HydrophobicContact CD2-CD2 4.03Å; L52-L77 HydrophobicContact CD2-CG 4.43Å; L52-L77 HydrophobicContact CG-CD2 4.43Å; L52-G81 VanDerWaalsContact CD1-CA 3.49Å
53	K	82.9	Confident	80.7	Confident	182 Å²	182	65.4 Å²	65.4	79%	0.791	34%	0.342	S	S	*	.	H	α-helix	trans	-59	-38.1	-179.1	-174.3	-177.5	178	-175.2	0	111.9	R49 V50	R49-K53 WeakPolarHBondContact O-CB 3.43Å; R49-K53 PolarHBondContact O-N 2.99Å; V50-K53 PolarHBondContact O-N 3.3Å
54	D	81.1	Confident	82.8	Confident	52 Å²	52	59 Å²	59	28%	0.278	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	5.2	-178.3	-63.8	-11.8	0	0	0	113	V50 L52 L56 W133	V50-D54 PolarHBondContact O-N 3.21Å; V50-D54 VanDerWaalsContact O-N 3.16Å; L52-D54 PolarHBondContact O-N 3.21Å; D54-L56 HydrophobicContact CB-CD1 3.9Å; D54-L56 WeakPolarHBondContact O-CD1 3.26Å; D54-L56 PolarHBondContact O-N 2.89Å; D54-W133 PolarHBondContact OD2-NE1 3.32Å
55	G	81.6	Confident	84.8	Confident	57 Å²	57	50.1 Å²	50.1	59%	0.588	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	19.7	172.2	0	0	0	0	0	115.7	L51 L52	L51-G55 PolarHBondContact O-N 3.45Å; L52-G55 PolarHBondContact O-N 3.04Å; L52-G55 VanDerWaalsContact O-N 3.11Å
56	L	83.4	Confident	86.3	Confident	36 Å²	36	48.7 Å²	48.7	19%	0.188	28%	0.276	C	S	.	.	S	Bend	trans	-81.5	-23.8	176.2	-80.3	81.7	0	0	0	113.1	L51 D54 W133	L51-L56 HydrophobicContact CB-CB 4.49Å; L51-L56 HydrophobicContact CD2-CB 4.39Å; L51-L56 HydrophobicContact CD2-CD2 4.32Å; L51-L56 PolarHBondContact O-N 3.49Å; D54-L56 HydrophobicContact CB-CD1 3.9Å; D54-L56 WeakPolarHBondContact O-CD1 3.26Å; D54-L56 PolarHBondContact O-N 2.89Å; L56-W133 HydrophobicContact CD2-CB 3.76Å; L56-W133 HydrophobicContact CD2-CG 4.34Å
57	V	88.2	Confident	86.7	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.018	30%	0.3	C	S	.	.	S	Bend	trans	-132.5	148	171.3	-59.9	0	0	0	0	108	L51 L52 L77 Y121 Y129	L51-V57 HydrophobicContact CB-CG1 4.3Å; L51-V57 HydrophobicContact CB-CG2 3.61Å; L51-V57 HydrophobicContact CD1-CG1 4.43Å; L51-V57 PolarHBondContact O-N 3.41Å; L52-V57 HydrophobicContact CD2-CG2 4.02Å; L52-V57 WeakPolarHBondContact CD2-O 3.43Å; L52-V57 HydrophobicContact CG-CG2 3.85Å; V57-L77 HydrophobicContact CB-CD2 4.24Å; V57-L77 HydrophobicContact CG2-CD2 3.95Å; V57-Y121 HydrophobicContact CB-CD1 4.36Å; V57-Y121 HydrophobicContact CB-CE1 4.08Å; V57-Y121 HydrophobicContact CB-CE2 4.24Å; V57-Y121 HydrophobicContact CG1-CD1 3.9Å; V57-Y121 HydrophobicContact CG1-CE1 4.06Å; V57-Y121 HydrophobicContact CG1-CG 4.17Å; V57-Y129 HydrophobicContact CG1-CD1 4.24Å; V57-Y129 HydrophobicContact CG1-CG 4.37Å
58	E	87.9	Confident	86.7	Confident	107 Å²	107	52.1 Å²	52.1	50%	0.5	29%	0.285	S	S	.	.			trans	-114.5	143.3	178.1	-63.4	174.1	152.8	0	0	110	Y121 R122	E58-Y121 PolarHBondContact N-OH 2.91Å; E58-Y121 WeakPolarHBondContact O-CE2 3.35Å; E58-Y121 PolarHBondContact O-OH 2.88Å; E58-R122 IonicContact OE2-CZ 3.67Å; E58-R122 IonicContact OE2-NH1 2.82Å; E58-R122 PolarHBondContact OE2-NH1 3.49Å; E58-R122 IonicContact OE2-NH2 2.84Å; E58-R122 PolarHBondContact OE2-NH2 3.36Å
59	P	91.2	Very high	86.6	Confident	55 Å²	55	57.5 Å²	57.5	36%	0.357	31%	0.314	S	S	.	.			trans	-63.9	149.4	171.6	30.7	-32.3	0	0	0	110	L52 L77 N79	L52-P59 HydrophobicContact CD2-CB 4.36Å; L52-P59 HydrophobicContact CD2-CG 4.38Å; P59-L77 CarbonylContact C-O 3.54Å; P59-L77 VanDerWaalsContact CA-O 3.23Å; P59-L77 WeakPolarHBondContact CA-O 3.3Å; P59-L77 VanDerWaalsContact CB-O 3.28Å; P59-L77 WeakPolarHBondContact CB-O 3.34Å; P59-N79 WeakPolarHBondContact CB-OD1 3.41Å; P59-N79 WeakPolarHBondContact CG-OD1 3.36Å
60	G	91.1	Very high	86.3	Confident	22 Å²	22	53.4 Å²	53.4	23%	0.227	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	162.3	-179.3	0	0	0	0	0	113.1	V63 D76 L77	G60-V63 VanDerWaalsContact O-CG2 3.23Å; G60-V63 WeakPolarHBondContact O-CG2 3.46Å; G60-D76 WeakPolarHBondContact O-CA 3.35Å; G60-L77 PolarHBondContact N-O 3.32Å; G60-L77 PolarHBondContact O-N 3.48Å
61	D	90.1	Very high	86.2	Confident	138 Å²	138	57.1 Å²	57.1	74%	0.738	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	135.4	-178.6	-56.1	-30	0	0	0	110.4	V63 D76	D61-V63 PolarHBondContact O-N 3.19Å; D61-V63 VanDerWaalsContact O-N 3.15Å; D61-D76 VanDerWaalsContact CA-OD1 3.28Å; D61-D76 WeakPolarHBondContact CA-OD1 3.28Å
62	G	88.8	Confident	86.4	Confident	40 Å²	40	61.4 Å²	61.4	41%	0.412	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.5	14.9	177.6	0	0	0	0	0	116	L64 G75 D76	G62-L64 VanDerWaalsContact C-N 3.32Å; G62-L64 PolarHBondContact O-N 2.87Å; G62-G75 CarbonylContact C-O 3.2Å; G62-D76 PolarHBondContact N-OD1 2.93Å
63	V	90.1	Very high	86.7	Confident	17 Å²	17	60.5 Å²	60.5	10%	0.103	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-14.9	-173.9	-61	0	0	0	0	113.9	G60 D61 G75 L77 Y121 R122	G60-V63 VanDerWaalsContact O-CG2 3.23Å; G60-V63 WeakPolarHBondContact O-CG2 3.46Å; D61-V63 PolarHBondContact O-N 3.19Å; D61-V63 VanDerWaalsContact O-N 3.15Å; V63-G75 PolarHBondContact N-O 2.96Å; V63-L77 HydrophobicContact CG2-CB 3.53Å; V63-Y121 HydrophobicContact CB-CD2 3.97Å; V63-Y121 HydrophobicContact CB-CE2 3.6Å; V63-Y121 HydrophobicContact CG1-CE2 4.4Å; V63-Y121 HydrophobicContact CG2-CD2 3.91Å; V63-Y121 HydrophobicContact CG2-CE2 3.53Å; V63-Y121 CarbonylContact O-C 3.58Å; V63-Y121 WeakPolarHBondContact O-CA 3.3Å; V63-R122 PolarHBondContact O-N 3.24Å
64	L	92.2	Very high	87.2	Confident	0 Å²	0	54 Å²	54	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.4	178.3	-61.6	170.9	0	0	0	111.8	G62 V74 G75 L77 I83 W98 V119 R120 Y121 L126	G62-L64 VanDerWaalsContact C-N 3.32Å; G62-L64 PolarHBondContact O-N 2.87Å; L64-V74 CarbonylContact O-C 3.5Å; L64-V74 WeakPolarHBondContact O-CA 3.48Å; L64-G75 WeakPolarHBondContact CB-O 3.39Å; L64-G75 PolarHBondContact N-O 3.35Å; L64-G75 PolarHBondContact O-N 3.05Å; L64-L77 HydrophobicContact CD1-CB 4.06Å; L64-L77 HydrophobicContact CD1-CD1 4.3Å; L64-L77 HydrophobicContact CG-CB 4.37Å; L64-I83 HydrophobicContact CD1-CB 4.23Å; L64-I83 HydrophobicContact CD1-CD1 3.81Å; L64-I83 HydrophobicContact CD1-CG1 3.59Å; L64-I83 HydrophobicContact CD1-CG2 3.78Å; L64-W98 HydrophobicContact CB-CH2 3.93Å; L64-W98 HydrophobicContact CB-CZ3 3.71Å; L64-V119 HydrophobicContact CB-CG1 4.35Å; L64-V119 HydrophobicContact CD2-CG1 3.85Å; L64-R120 CarbonylContact C-O 3.59Å; L64-R120 VanDerWaalsContact CA-O 3.25Å; L64-R120 WeakPolarHBondContact CA-O 3.24Å; L64-Y121 HydrophobicContact CD2-CD2 3.79Å; L64-Y121 HydrophobicContact CD2-CG 4.35Å; L64-Y121 HydrophobicContact CG-CD2 4.49Å; L64-L126 HydrophobicContact CD2-CD1 4.35Å; L64-L126 HydrophobicContact CD2-CD2 4.49Å
65	A	91.5	Very high	87.7	Confident	28 Å²	28	51.6 Å²	51.6	23%	0.231	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.2	178.2	0	0	0	0	0	113.4	F73 R120	A65-F73 CarbonylContact C-O 3.57Å; A65-F73 VanDerWaalsContact CA-O 3.23Å; A65-F73 WeakPolarHBondContact CA-O 3.45Å; A65-R120 PolarHBondContact N-O 3.28Å; A65-R120 PolarHBondContact O-N 3.03Å
66	I	90.1	Very high	88.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.9	170.3	-59.1	-180	0	0	0	108.8	N72 F73 W98 A99 C102 V119	I66-N72 CarbonylContact O-C 3.47Å; I66-N72 WeakPolarHBondContact O-CA 3.46Å; I66-N72 PolarHBondContact O-OD1 3.31Å; I66-F73 HydrophobicContact CB-CB 4.35Å; I66-F73 HydrophobicContact CB-CD2 4.45Å; I66-F73 PolarHBondContact N-O 3.35Å; I66-F73 PolarHBondContact O-N 2.87Å; I66-W98 HydrophobicContact CD1-CD2 3.92Å; I66-W98 HydrophobicContact CD1-CE3 3.66Å; I66-W98 HydrophobicContact CD1-CH2 4.3Å; I66-W98 HydrophobicContact CD1-CZ3 3.87Å; I66-W98 HydrophobicContact CG1-CE3 4.04Å; I66-W98 HydrophobicContact CG1-CH2 3.96Å; I66-W98 HydrophobicContact CG1-CZ3 3.69Å; I66-A99 VanDerWaalsContact CD1-CA 3.46Å; I66-A99 HydrophobicContact CD1-CB 3.74Å; I66-C102 HydrophobicContact CD1-CB 4.26Å; I66-V119 HydrophobicContact CD1-CG2 3.68Å; I66-V119 HydrophobicContact CG1-CB 4.45Å; I66-V119 HydrophobicContact CG1-CG2 3.76Å
67	H	85.9	Confident	88.6	Confident	111 Å²	111	48.1 Å²	48.1	51%	0.514	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.3	171.2	-172.5	-107.3	0	0	0	109.5	K71	H67-K71 CarbonylContact C-O 3.57Å; H67-K71 WeakPolarHBondContact CA-O 3.44Å
68	Y	83.6	Confident	88.7	Confident	32 Å²	32	49.6 Å²	49.6	13%	0.125	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	123.4	-178.1	-173.7	-107.9	0	0	0	111.4	G70 K71 K103 V106 K110	Y68-G70 VanDerWaalsContact C-N 3.27Å; Y68-G70 PolarHBondContact O-N 3.26Å; Y68-K71 PolarHBondContact N-O 3.34Å; Y68-K71 PolarHBondContact O-N 3.49Å; Y68-K103 HydrophobicContact CD1-CB 4.26Å; Y68-K103 HydrophobicContact CD1-CG 3.87Å; Y68-K103 HydrophobicContact CD2-CD 4.13Å; Y68-K103 HydrophobicContact CD2-CG 3.96Å; Y68-K103 HydrophobicContact CE1-CB 4.13Å; Y68-K103 HydrophobicContact CE1-CG 4.03Å; Y68-K103 HydrophobicContact CE2-CD 4.05Å; Y68-K103 HydrophobicContact CE2-CG 4.12Å; Y68-K103 HydrophobicContact CG-CD 4.49Å; Y68-K103 HydrophobicContact CG-CG 3.82Å; Y68-V106 HydrophobicContact CD1-CB 3.94Å; Y68-V106 HydrophobicContact CD1-CG1 4.36Å; Y68-V106 HydrophobicContact CD1-CG2 4.11Å; Y68-V106 HydrophobicContact CE1-CB 4.13Å; Y68-K110 VanDerWaalsContact OH-CD 3.27Å; Y68-K110 WeakPolarHBondContact OH-CD 3.31Å; Y68-K110 PolarHBondContact OH-NZ 3.2Å
69	L	80.1	Confident	88.6	Confident	117 Å²	117	51.1 Å²	51.1	61%	0.613	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	49.3	179.9	-63.2	176.1	0	0	0	112.9	K71 V106	L69-K71 PolarHBondContact O-N 3.08Å; L69-V106 HydrophobicContact CB-CG1 4Å; L69-V106 HydrophobicContact CD1-CG1 4.12Å
70	G	77.4	Confident	88.3	Confident	66 Å²	66	51.1 Å²	51.1	68%	0.68	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-0.6	178.4	0	0	0	0	0	115.9	Y68	Y68-G70 VanDerWaalsContact C-N 3.27Å; Y68-G70 PolarHBondContact O-N 3.26Å
71	K	83.5	Confident	87.9	Confident	109 Å²	109	50.5 Å²	50.5	47%	0.474	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.1	172.5	-67.9	-171.8	179.2	-179.8	0	111.3	H67 Y68 L69 F73 V106	H67-K71 CarbonylContact C-O 3.57Å; H67-K71 WeakPolarHBondContact CA-O 3.44Å; Y68-K71 PolarHBondContact N-O 3.34Å; Y68-K71 PolarHBondContact O-N 3.49Å; L69-K71 PolarHBondContact O-N 3.08Å; K71-F73 HydrophobicContact CB-CE2 3.92Å; K71-F73 HydrophobicContact CB-CZ 4.15Å; K71-F73 HydrophobicContact CD-CZ 4.43Å; K71-V106 HydrophobicContact CB-CG2 4.44Å; K71-V106 HydrophobicContact CD-CG1 4.36Å; K71-V106 HydrophobicContact CD-CG2 3.81Å
72	N	88.7	Confident	88	Confident	89 Å²	89	47.2 Å²	47.2	48%	0.476	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.3	175.9	-174.1	44.9	0	0	0	110	I66	I66-N72 CarbonylContact O-C 3.47Å; I66-N72 WeakPolarHBondContact O-CA 3.46Å; I66-N72 PolarHBondContact O-OD1 3.31Å
73	F	91.5	Very high	88.1	Confident	10 Å²	10	45.3 Å²	45.3	4%	0.044	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.6	177.4	-57.4	-90.3	0	0	0	109.1	A65 I66 K71 W85 W98 C102 L105 V106	A65-F73 CarbonylContact C-O 3.57Å; A65-F73 VanDerWaalsContact CA-O 3.23Å; A65-F73 WeakPolarHBondContact CA-O 3.45Å; I66-F73 HydrophobicContact CB-CB 4.35Å; I66-F73 HydrophobicContact CB-CD2 4.45Å; I66-F73 PolarHBondContact N-O 3.35Å; I66-F73 PolarHBondContact O-N 2.87Å; K71-F73 HydrophobicContact CB-CE2 3.92Å; K71-F73 HydrophobicContact CB-CZ 4.15Å; K71-F73 HydrophobicContact CD-CZ 4.43Å; F73-W85 HydrophobicContact CD1-CZ2 4.15Å; F73-W85 HydrophobicContact CE1-CZ2 4.47Å; F73-W98 HydrophobicContact CB-CZ2 4.35Å; F73-C102 HydrophobicContact CB-CB 4.38Å; F73-C102 HydrophobicContact CD1-CB 4.06Å; F73-C102 HydrophobicContact CD2-CB 3.74Å; F73-C102 HydrophobicContact CE1-CB 4.24Å; F73-C102 HydrophobicContact CE2-CB 3.94Å; F73-C102 HydrophobicContact CG-CB 3.79Å; F73-C102 HydrophobicContact CZ-CB 4.18Å; F73-C102 WeakPolarHBondContact CZ-O 3.37Å; F73-L105 HydrophobicContact CE1-CD1 4.13Å; F73-V106 HydrophobicContact CE2-CG2 3.96Å; F73-V106 HydrophobicContact CZ-CG2 3.64Å
74	V	92.8	Very high	88.2	Confident	46 Å²	46	49.1 Å²	49.1	28%	0.279	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.7	-176.1	-177	0	0	0	0	110.7	L64 W85 V86	L64-V74 CarbonylContact O-C 3.5Å; L64-V74 WeakPolarHBondContact O-CA 3.48Å; V74-W85 VanDerWaalsContact O-CD1 3.27Å; V74-V86 HydrophobicContact CB-CG2 4.39Å; V74-V86 HydrophobicContact CG1-CG2 4.01Å; V74-V86 WeakPolarHBondContact O-CB 3.47Å; V74-V86 WeakPolarHBondContact O-CG2 3.44Å; V74-V86 PolarHBondContact O-N 3.44Å
75	G	92.9	Very high	88.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.5	-179.7	0	0	0	0	0	113.4	G62 V63 L64 R84	G62-G75 CarbonylContact C-O 3.2Å; V63-G75 PolarHBondContact N-O 2.96Å; L64-G75 WeakPolarHBondContact CB-O 3.39Å; L64-G75 PolarHBondContact N-O 3.35Å; L64-G75 PolarHBondContact O-N 3.05Å; G75-R84 CarbonylContact C-O 3.51Å; G75-R84 WeakPolarHBondContact CA-O 3.47Å
76	D	91.2	Very high	88.1	Confident	18 Å²	18	52.2 Å²	52.2	10%	0.096	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	141.8	172.5	-45.1	-39.7	0	0	0	109.7	G60 D61 G62 I83 R84 V86	G60-D76 WeakPolarHBondContact O-CA 3.35Å; D61-D76 VanDerWaalsContact CA-OD1 3.28Å; D61-D76 WeakPolarHBondContact CA-OD1 3.28Å; G62-D76 PolarHBondContact N-OD1 2.93Å; D76-I83 CarbonylContact O-C 3.57Å; D76-I83 WeakPolarHBondContact O-CA 3.3Å; D76-R84 HydrophobicContact CB-CB 4.22Å; D76-R84 PolarHBondContact N-O 3.49Å; D76-R84 PolarHBondContact O-N 2.98Å; D76-V86 VanDerWaalsContact OD1-CG2 3.23Å; D76-V86 WeakPolarHBondContact OD1-CG2 3.38Å
77	L	92.3	Very high	87.7	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.5	172.3	180	57.7	0	0	0	109.4	L48 L52 V57 P59 G60 V63 L64 Y121	L48-L77 HydrophobicContact CB-CD1 4.48Å; L48-L77 HydrophobicContact CD1-CD1 3.81Å; L48-L77 HydrophobicContact CD2-CD1 4.41Å; L48-L77 HydrophobicContact CG-CD1 4.48Å; L52-L77 HydrophobicContact CD1-CD1 4.37Å; L52-L77 HydrophobicContact CD2-CD2 4.03Å; L52-L77 HydrophobicContact CD2-CG 4.43Å; L52-L77 HydrophobicContact CG-CD2 4.43Å; V57-L77 HydrophobicContact CB-CD2 4.24Å; V57-L77 HydrophobicContact CG2-CD2 3.95Å; P59-L77 CarbonylContact C-O 3.54Å; P59-L77 VanDerWaalsContact CA-O 3.23Å; P59-L77 WeakPolarHBondContact CA-O 3.3Å; P59-L77 VanDerWaalsContact CB-O 3.28Å; P59-L77 WeakPolarHBondContact CB-O 3.34Å; G60-L77 PolarHBondContact N-O 3.32Å; G60-L77 PolarHBondContact O-N 3.48Å; V63-L77 HydrophobicContact CG2-CB 3.53Å; L64-L77 HydrophobicContact CD1-CB 4.06Å; L64-L77 HydrophobicContact CD1-CD1 4.3Å; L64-L77 HydrophobicContact CG-CB 4.37Å; L77-Y121 HydrophobicContact CD2-CD2 4.45Å; L77-Y121 HydrophobicContact CD2-CE2 4.12Å
78	L	90.4	Very high	87.7	Confident	33 Å²	33	57 Å²	57	17%	0.173	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-83.4	156.8	179.2	-56.6	-178.2	0	0	0	111.6	D80 G81 K82 R84 I91	L78-D80 WeakPolarHBondContact CB-OD1 3.43Å; L78-D80 PolarHBondContact O-N 3.17Å; L78-G81 PolarHBondContact O-N 3.12Å; L78-K82 WeakPolarHBondContact CB-O 3.47Å; L78-K82 HydrophobicContact CD1-CB 4.19Å; L78-K82 PolarHBondContact N-O 2.99Å; L78-R84 HydrophobicContact CD1-CB 4.5Å; L78-R84 HydrophobicContact CD2-CB 4.41Å; L78-R84 HydrophobicContact CG-CB 4.49Å; L78-I91 HydrophobicContact CD1-CD1 4.29Å; L78-I91 HydrophobicContact CD1-CG2 4.29Å
79	N	85.6	Confident	87.8	Confident	139 Å²	139	57.4 Å²	57.4	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	-178.5	-61.6	-3.1	0	0	0	113.9	P59	P59-N79 WeakPolarHBondContact CB-OD1 3.41Å; P59-N79 WeakPolarHBondContact CG-OD1 3.36Å
80	D	83.6	Confident	88.3	Confident	55 Å²	55	56 Å²	56	29%	0.294	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.7	-179.4	70.7	-15.1	0	0	0	113.9	R49 L78 K82	R49-D80 PolarHBondContact NE-O 3.29Å; R49-D80 PolarHBondContact NH2-O 3.17Å; L78-D80 WeakPolarHBondContact CB-OD1 3.43Å; L78-D80 PolarHBondContact O-N 3.17Å; D80-K82 WeakPolarHBondContact OD1-CB 3.39Å; D80-K82 WeakPolarHBondContact OD1-CG 3.49Å; D80-K82 PolarHBondContact OD1-N 2.89Å; D80-K82 VanDerWaalsContact OD1-N 3.09Å; D80-K82 WeakPolarHBondContact OD2-CD 3.48Å; D80-K82 WeakPolarHBondContact OD2-CE 3.38Å; D80-K82 WeakPolarHBondContact OD2-CG 3.05Å; D80-K82 IonicContact OD2-NZ 3.56Å; D80-K82 PolarHBondContact OD2-NZ 3.23Å
81	G	84.6	Confident	88.9	Confident	9 Å²	9	56.8 Å²	56.8	9%	0.093	30%	0.297	C	S	.	.	S	Bend	trans	91.3	6.5	-178.2	0	0	0	0	0	115.2	L52 L78	L52-G81 VanDerWaalsContact CD1-CA 3.49Å; L78-G81 PolarHBondContact O-N 3.12Å
82	K	90.7	Very high	89.3	Confident	69 Å²	69	52.3 Å²	52.3	30%	0.3	28%	0.278	S	S	.	.			trans	-86.2	160.1	174.4	-62.8	-178.3	-171.2	160.5	0	111.9	L78 D80 I91 F92 N93	L78-K82 WeakPolarHBondContact CB-O 3.47Å; L78-K82 HydrophobicContact CD1-CB 4.19Å; L78-K82 PolarHBondContact N-O 2.99Å; D80-K82 WeakPolarHBondContact OD1-CB 3.39Å; D80-K82 WeakPolarHBondContact OD1-CG 3.49Å; D80-K82 PolarHBondContact OD1-N 2.89Å; D80-K82 VanDerWaalsContact OD1-N 3.09Å; D80-K82 WeakPolarHBondContact OD2-CD 3.48Å; D80-K82 WeakPolarHBondContact OD2-CE 3.38Å; D80-K82 WeakPolarHBondContact OD2-CG 3.05Å; D80-K82 IonicContact OD2-NZ 3.56Å; D80-K82 PolarHBondContact OD2-NZ 3.23Å; K82-I91 HydrophobicContact CB-CG2 3.85Å; K82-I91 HydrophobicContact CD-CG2 3.82Å; K82-I91 HydrophobicContact CG-CG2 4.43Å; K82-F92 WeakPolarHBondContact CA-O 3.32Å; K82-F92 WeakPolarHBondContact CB-O 3.41Å; K82-N93 WeakPolarHBondContact CD-OD1 3.46Å; K82-N93 WeakPolarHBondContact CE-OD1 3.38Å
83	I	92.1	Very high	89.1	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.1	-179	-54.1	173	0	0	0	108.9	L48 L64 D76 I91 F92 P95 W98	L48-I83 HydrophobicContact CD1-CD1 3.87Å; L48-I83 HydrophobicContact CD1-CG1 3.84Å; L64-I83 HydrophobicContact CD1-CB 4.23Å; L64-I83 HydrophobicContact CD1-CD1 3.81Å; L64-I83 HydrophobicContact CD1-CG1 3.59Å; L64-I83 HydrophobicContact CD1-CG2 3.78Å; D76-I83 CarbonylContact O-C 3.57Å; D76-I83 WeakPolarHBondContact O-CA 3.3Å; I83-I91 CarbonylContact O-C 3.59Å; I83-I91 WeakPolarHBondContact O-CA 3.35Å; I83-F92 HydrophobicContact CB-CB 4.49Å; I83-F92 PolarHBondContact N-O 2.81Å; I83-F92 PolarHBondContact O-N 3.46Å; I83-P95 HydrophobicContact CD1-CB 4.24Å; I83-P95 HydrophobicContact CD1-CG 4.15Å; I83-W98 HydrophobicContact CD1-CB 4.24Å; I83-W98 HydrophobicContact CD1-CD2 4.43Å; I83-W98 HydrophobicContact CD1-CE3 3.88Å; I83-W98 HydrophobicContact CG2-CD2 3.74Å; I83-W98 HydrophobicContact CG2-CE3 3.81Å; I83-W98 HydrophobicContact CG2-CG 4.11Å; I83-W98 HydrophobicContact CG2-CZ3 4.26Å
84	R	91.4	Very high	88.9	Confident	97 Å²	97	55.6 Å²	55.6	37%	0.366	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.5	171.2	-177.1	-175.3	-67.8	157.1	-0.6	109.1	G75 D76 L78 Q90 I91	G75-R84 CarbonylContact C-O 3.51Å; G75-R84 WeakPolarHBondContact CA-O 3.47Å; D76-R84 HydrophobicContact CB-CB 4.22Å; D76-R84 PolarHBondContact N-O 3.49Å; D76-R84 PolarHBondContact O-N 2.98Å; L78-R84 HydrophobicContact CD1-CB 4.5Å; L78-R84 HydrophobicContact CD2-CB 4.41Å; L78-R84 HydrophobicContact CG-CB 4.49Å; R84-Q90 CarbonylContact C-O 3.58Å; R84-Q90 WeakPolarHBondContact CA-O 3.04Å; R84-I91 HydrophobicContact CB-CG1 4.41Å; R84-I91 HydrophobicContact CG-CG1 4.35Å
85	W	92.8	Very high	88.5	Confident	16 Å²	16	53.7 Å²	53.7	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	124.6	176.2	-179.4	29.7	0	0	0	110.4	F73 V74 E87 T88 G89 Q90 F92 W98 H101 L105	F73-W85 HydrophobicContact CD1-CZ2 4.15Å; F73-W85 HydrophobicContact CE1-CZ2 4.47Å; V74-W85 VanDerWaalsContact O-CD1 3.27Å; W85-E87 VanDerWaalsContact C-N 3.33Å; W85-E87 HydrophobicContact CD2-CB 4.42Å; W85-E87 HydrophobicContact CH2-CB 4.49Å; W85-E87 HydrophobicContact CZ2-CB 3.78Å; W85-E87 HydrophobicContact CZ2-CG 4.27Å; W85-E87 VanDerWaalsContact CZ2-OE2 3.22Å; W85-E87 WeakPolarHBondContact CZ2-OE2 3.37Å; W85-E87 PolarHBondContact O-N 3.33Å; W85-T88 HydrophobicContact CD2-CG2 4.37Å; W85-T88 HydrophobicContact CE3-CG2 3.69Å; W85-T88 HydrophobicContact CH2-CG2 3.64Å; W85-T88 HydrophobicContact CZ2-CG2 4.38Å; W85-T88 HydrophobicContact CZ3-CG2 3.25Å; W85-T88 WeakPolarHBondContact CZ3-OG1 3.41Å; W85-T88 PolarHBondContact O-N 3.32Å; W85-G89 VanDerWaalsContact O-CA 3.27Å; W85-G89 WeakPolarHBondContact O-CA 3.32Å; W85-G89 PolarHBondContact O-N 2.96Å; W85-Q90 PolarHBondContact N-O 3.32Å; W85-F92 HydrophobicContact CB-CE2 3.89Å; W85-W98 AromaticContact CD1-NE1 3.92Å; W85-W98 AromaticContact CG-NE1 3.86Å; W85-H101 AromaticContact CZ3-CE1 3.83Å; W85-L105 HydrophobicContact CH2-CD1 3.62Å; W85-L105 HydrophobicContact CZ2-CD1 4.17Å; W85-L105 HydrophobicContact CZ3-CD1 4.15Å
86	V	88.7	Confident	88.1	Confident	77 Å²	77	55.9 Å²	55.9	47%	0.467	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.7	-170.6	174.5	0	0	0	0	112.9	V74 D76 T88	V74-V86 HydrophobicContact CB-CG2 4.39Å; V74-V86 HydrophobicContact CG1-CG2 4.01Å; V74-V86 WeakPolarHBondContact O-CB 3.47Å; V74-V86 WeakPolarHBondContact O-CG2 3.44Å; V74-V86 PolarHBondContact O-N 3.44Å; D76-V86 VanDerWaalsContact OD1-CG2 3.23Å; D76-V86 WeakPolarHBondContact OD1-CG2 3.38Å; V86-T88 PolarHBondContact O-N 2.81Å
87	E	82.9	Confident	87.9	Confident	129 Å²	129	57.1 Å²	57.1	60%	0.603	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-30.5	-174.9	-70	174.6	-149.9	0	0	113.8	W85	W85-E87 VanDerWaalsContact C-N 3.33Å; W85-E87 HydrophobicContact CD2-CB 4.42Å; W85-E87 HydrophobicContact CH2-CB 4.49Å; W85-E87 HydrophobicContact CZ2-CB 3.78Å; W85-E87 HydrophobicContact CZ2-CG 4.27Å; W85-E87 VanDerWaalsContact CZ2-OE2 3.22Å; W85-E87 WeakPolarHBondContact CZ2-OE2 3.37Å; W85-E87 PolarHBondContact O-N 3.33Å
88	T	85.3	Confident	87.7	Confident	83 Å²	83	57 Å²	57	51%	0.509	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-10.9	-173.7	61.5	0	0	0	0	114	W85 V86 Q90	W85-T88 HydrophobicContact CD2-CG2 4.37Å; W85-T88 HydrophobicContact CE3-CG2 3.69Å; W85-T88 HydrophobicContact CH2-CG2 3.64Å; W85-T88 HydrophobicContact CZ2-CG2 4.38Å; W85-T88 HydrophobicContact CZ3-CG2 3.25Å; W85-T88 WeakPolarHBondContact CZ3-OG1 3.41Å; W85-T88 PolarHBondContact O-N 3.32Å; V86-T88 PolarHBondContact O-N 2.81Å; T88-Q90 PolarHBondContact O-N 2.8Å; T88-Q90 PolarHBondContact OG1-N 3.22Å
89	G	85.8	Confident	87.5	Confident	40 Å²	40	55.4 Å²	55.4	41%	0.412	31%	0.306	S	S	.	.			trans	72.9	3.7	-173.3	0	0	0	0	0	114.5	W85	W85-G89 VanDerWaalsContact O-CA 3.27Å; W85-G89 WeakPolarHBondContact O-CA 3.32Å; W85-G89 PolarHBondContact O-N 2.96Å
90	Q	90.3	Very high	87.5	Confident	88 Å²	88	50 Å²	50	41%	0.411	28%	0.279	S	S	.	.			trans	-65.9	137.3	-179	-172.9	177	6.6	0	0	111.8	R84 W85 T88 F92	R84-Q90 CarbonylContact C-O 3.58Å; R84-Q90 WeakPolarHBondContact CA-O 3.04Å; W85-Q90 PolarHBondContact N-O 3.32Å; T88-Q90 PolarHBondContact O-N 2.8Å; T88-Q90 PolarHBondContact OG1-N 3.22Å; Q90-F92 HydrophobicContact CB-CE2 3.99Å; Q90-F92 HydrophobicContact CB-CZ 4.3Å; Q90-F92 VanDerWaalsContact CD-CZ 3.49Å; Q90-F92 HydrophobicContact CG-CE2 3.88Å; Q90-F92 HydrophobicContact CG-CZ 3.84Å
91	I	90.8	Very high	87.6	Confident	82 Å²	82	50.1 Å²	50.1	42%	0.421	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.4	-177.6	-57.6	175.8	0	0	0	110.6	L78 K82 I83 R84	L78-I91 HydrophobicContact CD1-CD1 4.29Å; L78-I91 HydrophobicContact CD1-CG2 4.29Å; K82-I91 HydrophobicContact CB-CG2 3.85Å; K82-I91 HydrophobicContact CD-CG2 3.82Å; K82-I91 HydrophobicContact CG-CG2 4.43Å; I83-I91 CarbonylContact O-C 3.59Å; I83-I91 WeakPolarHBondContact O-CA 3.35Å; R84-I91 HydrophobicContact CB-CG1 4.41Å; R84-I91 HydrophobicContact CG-CG1 4.35Å
92	F	90.1	Very high	87.7	Confident	16 Å²	16	49.7 Å²	49.7	7%	0.07	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136	179.5	-61.9	-90.1	0	0	0	110.8	K82 I83 W85 Q90 S94 A97 W98 H101	K82-F92 WeakPolarHBondContact CA-O 3.32Å; K82-F92 WeakPolarHBondContact CB-O 3.41Å; I83-F92 HydrophobicContact CB-CB 4.49Å; I83-F92 PolarHBondContact N-O 2.81Å; I83-F92 PolarHBondContact O-N 3.46Å; W85-F92 HydrophobicContact CB-CE2 3.89Å; Q90-F92 HydrophobicContact CB-CE2 3.99Å; Q90-F92 HydrophobicContact CB-CZ 4.3Å; Q90-F92 VanDerWaalsContact CD-CZ 3.49Å; Q90-F92 HydrophobicContact CG-CE2 3.88Å; Q90-F92 HydrophobicContact CG-CZ 3.84Å; F92-S94 VanDerWaalsContact C-N 3.31Å; F92-S94 PolarHBondContact O-N 3.29Å; F92-A97 HydrophobicContact CD1-CB 4.32Å; F92-W98 HydrophobicContact CB-CB 3.92Å; F92-W98 HydrophobicContact CD1-CB 4.26Å; F92-W98 HydrophobicContact CD2-CB 4.12Å; F92-W98 AromaticContact CD2-CD1 3.48Å; F92-W98 VanDerWaalsContact CD2-CD1 3.48Å; F92-W98 HydrophobicContact CD2-CG 4.05Å; F92-W98 AromaticContact CE2-CD1 3.53Å; F92-W98 HydrophobicContact CE2-CG 4.48Å; F92-W98 HydrophobicContact CG-CB 3.83Å; F92-W98 HydrophobicContact CG-CG 4.26Å; F92-H101 HydrophobicContact CE1-CB 3.62Å; F92-H101 AromaticContact CE1-CG 3.65Å; F92-H101 HydrophobicContact CZ-CB 3.99Å; F92-H101 AromaticContact CZ-CG 3.65Å; F92-H101 AromaticContact CZ-ND1 3.65Å
93	N	86	Confident	87.4	Confident	125 Å²	125	47.3 Å²	47.3	67%	0.668	26%	0.263	S	S	*	.	S	Bend	trans	-80.9	-7	-177.5	-64.6	-40.6	0	0	0	114	K82	K82-N93 WeakPolarHBondContact CD-OD1 3.46Å; K82-N93 WeakPolarHBondContact CE-OD1 3.38Å
94	S	85.9	Confident	87	Confident	43 Å²	43	53.3 Å²	53.3	30%	0.301	29%	0.285	S	S	.	.	S	Bend	trans	-157.5	156.8	177.2	71.3	0	0	0	0	113.2	F92 S96 A97 W98	F92-S94 VanDerWaalsContact C-N 3.31Å; F92-S94 PolarHBondContact O-N 3.29Å; S94-S96 PolarHBondContact O-N 3.22Å; S94-A97 PolarHBondContact O-N 3.46Å; S94-A97 WeakPolarHBondContact OG-CB 3.47Å; S94-A97 PolarHBondContact OG-N 2.91Å; S94-A97 VanDerWaalsContact OG-N 3.17Å; S94-W98 PolarHBondContact O-N 2.92Å; S94-W98 VanDerWaalsContact O-N 3.16Å
95	P	85.8	Confident	86.6	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.039	29%	0.29	C	S	.	.	H	α-helix	trans	-55.9	-36	171.9	-25.2	33.1	0	0	0	113.8	L48 I83 A99 W116 V119 L126	L48-P95 HydrophobicContact CD1-CG 3.6Å; L48-P95 HydrophobicContact CG-CG 3.84Å; I83-P95 HydrophobicContact CD1-CB 4.24Å; I83-P95 HydrophobicContact CD1-CG 4.15Å; P95-A99 VanDerWaalsContact O-CB 3.29Å; P95-A99 WeakPolarHBondContact O-CB 3.48Å; P95-A99 PolarHBondContact O-N 3.46Å; P95-W116 HydrophobicContact CG-CH2 4.47Å; P95-W116 HydrophobicContact CG-CZ2 4.14Å; P95-V119 HydrophobicContact CB-CG2 4.14Å; P95-L126 HydrophobicContact CB-CD1 4.22Å; P95-L126 HydrophobicContact CG-CD1 4.04Å
96	S	84.6	Confident	86.1	Confident	46 Å²	46	54 Å²	54	32%	0.322	30%	0.299	S	S	.	.	H	α-helix	trans	-70.2	-38.4	179.7	-58.2	0	0	0	0	112.8	S94 T100	S94-S96 PolarHBondContact O-N 3.22Å; S96-T100 WeakPolarHBondContact O-CB 3.21Å; S96-T100 PolarHBondContact O-N 2.97Å; S96-T100 PolarHBondContact O-OG1 3.21Å
97	A	85.5	Confident	85.6	Confident	43 Å²	43	53.3 Å²	53.3	36%	0.355	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-46.3	174.9	0	0	0	0	0	110.9	F92 S94 T100 H101	F92-A97 HydrophobicContact CD1-CB 4.32Å; S94-A97 PolarHBondContact O-N 3.46Å; S94-A97 WeakPolarHBondContact OG-CB 3.47Å; S94-A97 PolarHBondContact OG-N 2.91Å; S94-A97 VanDerWaalsContact OG-N 3.17Å; A97-T100 PolarHBondContact O-N 3.12Å; A97-H101 WeakPolarHBondContact O-CB 3.23Å; A97-H101 PolarHBondContact O-N 2.64Å; A97-H101 VanDerWaalsContact O-N 3.08Å
98	W	89.4	Confident	85.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-44	177.6	-175.4	46.5	0	0	0	112.4	L64 I66 F73 I83 W85 F92 S94 T100 H101 C102 V119	L64-W98 HydrophobicContact CB-CH2 3.93Å; L64-W98 HydrophobicContact CB-CZ3 3.71Å; I66-W98 HydrophobicContact CD1-CD2 3.92Å; I66-W98 HydrophobicContact CD1-CE3 3.66Å; I66-W98 HydrophobicContact CD1-CH2 4.3Å; I66-W98 HydrophobicContact CD1-CZ3 3.87Å; I66-W98 HydrophobicContact CG1-CE3 4.04Å; I66-W98 HydrophobicContact CG1-CH2 3.96Å; I66-W98 HydrophobicContact CG1-CZ3 3.69Å; F73-W98 HydrophobicContact CB-CZ2 4.35Å; I83-W98 HydrophobicContact CD1-CB 4.24Å; I83-W98 HydrophobicContact CD1-CD2 4.43Å; I83-W98 HydrophobicContact CD1-CE3 3.88Å; I83-W98 HydrophobicContact CG2-CD2 3.74Å; I83-W98 HydrophobicContact CG2-CE3 3.81Å; I83-W98 HydrophobicContact CG2-CG 4.11Å; I83-W98 HydrophobicContact CG2-CZ3 4.26Å; W85-W98 AromaticContact CD1-NE1 3.92Å; W85-W98 AromaticContact CG-NE1 3.86Å; F92-W98 HydrophobicContact CB-CB 3.92Å; F92-W98 HydrophobicContact CD1-CB 4.26Å; F92-W98 HydrophobicContact CD2-CB 4.12Å; F92-W98 AromaticContact CD2-CD1 3.48Å; F92-W98 VanDerWaalsContact CD2-CD1 3.48Å; F92-W98 HydrophobicContact CD2-CG 4.05Å; F92-W98 AromaticContact CE2-CD1 3.53Å; F92-W98 HydrophobicContact CE2-CG 4.48Å; F92-W98 HydrophobicContact CG-CB 3.83Å; F92-W98 HydrophobicContact CG-CG 4.26Å; S94-W98 PolarHBondContact O-N 2.92Å; S94-W98 VanDerWaalsContact O-N 3.16Å; W98-T100 PolarHBondContact O-N 2.53Å; W98-H101 WeakPolarHBondContact O-CB 3.45Å; W98-H101 PolarHBondContact O-N 3.31Å; W98-C102 PolarHBondContact NE1-SG 3.04Å; W98-C102 VanDerWaalsContact NE1-SG 3.4Å; W98-C102 PolarHBondContact O-N 3.44Å; W98-C102 PolarHBondContact O-SG 2.89Å; W98-V119 HydrophobicContact CE3-CG1 4.25Å; W98-V119 HydrophobicContact CE3-CG2 3.77Å; W98-V119 HydrophobicContact CZ3-CG1 3.84Å; W98-V119 HydrophobicContact CZ3-CG2 3.99Å
99	A	86.6	Confident	84.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-38.9	179.1	0	0	0	0	0	113.8	I66 P95 H101 K103 V119	I66-A99 VanDerWaalsContact CD1-CA 3.46Å; I66-A99 HydrophobicContact CD1-CB 3.74Å; P95-A99 VanDerWaalsContact O-CB 3.29Å; P95-A99 WeakPolarHBondContact O-CB 3.48Å; P95-A99 PolarHBondContact O-N 3.46Å; A99-H101 VanDerWaalsContact C-N 3.32Å; A99-K103 WeakPolarHBondContact O-CB 3.34Å; A99-K103 VanDerWaalsContact O-CG 3.27Å; A99-K103 WeakPolarHBondContact O-CG 3.19Å; A99-K103 PolarHBondContact O-N 3.29Å; A99-V119 HydrophobicContact CB-CG2 4.34Å
100	T	85.2	Confident	83.3	Confident	27 Å²	27	54.2 Å²	54.2	17%	0.166	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-41.3	175.8	-57.9	0	0	0	0	110.6	S96 A97 W98 K103 R104	S96-T100 WeakPolarHBondContact O-CB 3.21Å; S96-T100 PolarHBondContact O-N 2.97Å; S96-T100 PolarHBondContact O-OG1 3.21Å; A97-T100 PolarHBondContact O-N 3.12Å; W98-T100 PolarHBondContact O-N 2.53Å; T100-K103 PolarHBondContact O-N 2.87Å; T100-R104 WeakPolarHBondContact O-CG 3.32Å; T100-R104 PolarHBondContact O-N 3.4Å
101	H	85.2	Confident	81.5	Confident	57 Å²	57	58.4 Å²	58.4	26%	0.264	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-51.9	176.3	-172.7	-91.4	0	0	0	111.9	W85 F92 A97 W98 A99 K103 R104 L105	W85-H101 AromaticContact CZ3-CE1 3.83Å; F92-H101 HydrophobicContact CE1-CB 3.62Å; F92-H101 AromaticContact CE1-CG 3.65Å; F92-H101 HydrophobicContact CZ-CB 3.99Å; F92-H101 AromaticContact CZ-CG 3.65Å; F92-H101 AromaticContact CZ-ND1 3.65Å; A97-H101 WeakPolarHBondContact O-CB 3.23Å; A97-H101 PolarHBondContact O-N 2.64Å; A97-H101 VanDerWaalsContact O-N 3.08Å; W98-H101 WeakPolarHBondContact O-CB 3.45Å; W98-H101 PolarHBondContact O-N 3.31Å; A99-H101 VanDerWaalsContact C-N 3.32Å; H101-K103 VanDerWaalsContact C-N 3.33Å; H101-K103 PolarHBondContact O-N 2.94Å; H101-R104 PolarHBondContact O-N 3.26Å; H101-L105 PolarHBondContact O-N 3.1Å
102	C	86.1	Confident	79.7	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.9	-42.1	179.1	-63.3	0	0	0	0	112.1	I66 F73 W98 L105	I66-C102 HydrophobicContact CD1-CB 4.26Å; F73-C102 HydrophobicContact CB-CB 4.38Å; F73-C102 HydrophobicContact CD1-CB 4.06Å; F73-C102 HydrophobicContact CD2-CB 3.74Å; F73-C102 HydrophobicContact CE1-CB 4.24Å; F73-C102 HydrophobicContact CE2-CB 3.94Å; F73-C102 HydrophobicContact CG-CB 3.79Å; F73-C102 HydrophobicContact CZ-CB 4.18Å; F73-C102 WeakPolarHBondContact CZ-O 3.37Å; W98-C102 PolarHBondContact NE1-SG 3.04Å; W98-C102 VanDerWaalsContact NE1-SG 3.4Å; W98-C102 PolarHBondContact O-N 3.44Å; W98-C102 PolarHBondContact O-SG 2.89Å; C102-L105 PolarHBondContact O-N 3.36Å
103	K	84.3	Confident	78.2	Confident	18 Å²	18	59 Å²	59	8%	0.078	34%	0.336	C	S	.	.	H	α-helix	trans	-67.8	-36.3	179.1	-72.4	-179	179.6	-177.3	0	112.9	Y68 A99 T100 H101 L105 V106 N107 S118	Y68-K103 HydrophobicContact CD1-CB 4.26Å; Y68-K103 HydrophobicContact CD1-CG 3.87Å; Y68-K103 HydrophobicContact CD2-CD 4.13Å; Y68-K103 HydrophobicContact CD2-CG 3.96Å; Y68-K103 HydrophobicContact CE1-CB 4.13Å; Y68-K103 HydrophobicContact CE1-CG 4.03Å; Y68-K103 HydrophobicContact CE2-CD 4.05Å; Y68-K103 HydrophobicContact CE2-CG 4.12Å; Y68-K103 HydrophobicContact CG-CD 4.49Å; Y68-K103 HydrophobicContact CG-CG 3.82Å; A99-K103 WeakPolarHBondContact O-CB 3.34Å; A99-K103 VanDerWaalsContact O-CG 3.27Å; A99-K103 WeakPolarHBondContact O-CG 3.19Å; A99-K103 PolarHBondContact O-N 3.29Å; T100-K103 PolarHBondContact O-N 2.87Å; H101-K103 VanDerWaalsContact C-N 3.33Å; H101-K103 PolarHBondContact O-N 2.94Å; K103-L105 VanDerWaalsContact C-N 3.32Å; K103-L105 PolarHBondContact O-N 3.24Å; K103-V106 PolarHBondContact O-N 2.9Å; K103-V106 VanDerWaalsContact O-N 3.16Å; K103-N107 PolarHBondContact O-N 3.22Å; K103-S118 WeakPolarHBondContact CE-OG 3.26Å; K103-S118 PolarHBondContact NZ-OG 3.08Å
104	R	84.3	Confident	77.4	Confident	126 Å²	126	56.9 Å²	56.9	48%	0.475	33%	0.33	S	S	.	.	H	α-helix	trans	-66.2	-31.4	175.9	-80.5	-177.6	-168.4	167.1	6	113.3	T100 H101 V106 N107 K110 K111	T100-R104 WeakPolarHBondContact O-CG 3.32Å; T100-R104 PolarHBondContact O-N 3.4Å; H101-R104 PolarHBondContact O-N 3.26Å; R104-V106 PolarHBondContact O-N 2.84Å; R104-N107 CarbonylContact O-C 3.41Å; R104-K110 VanDerWaalsContact CG-O 3.29Å; R104-K110 WeakPolarHBondContact CG-O 3.45Å; R104-K110 PolarHBondContact NE-O 2.95Å; R104-K111 PolarHBondContact NH2-O 3.12Å
105	L	82.8	Confident	76.6	Confident	89 Å²	89	54.9 Å²	54.9	47%	0.466	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-21.8	173.9	-69.6	173.5	0	0	0	112.9	F73 W85 H101 C102 K103	F73-L105 HydrophobicContact CE1-CD1 4.13Å; W85-L105 HydrophobicContact CH2-CD1 3.62Å; W85-L105 HydrophobicContact CZ2-CD1 4.17Å; W85-L105 HydrophobicContact CZ3-CD1 4.15Å; H101-L105 PolarHBondContact O-N 3.1Å; C102-L105 PolarHBondContact O-N 3.36Å; K103-L105 VanDerWaalsContact C-N 3.32Å; K103-L105 PolarHBondContact O-N 3.24Å
106	V	82.5	Confident	76.2	Confident	40 Å²	40	56.6 Å²	56.6	24%	0.242	32%	0.322	C	S	.	.	H	α-helix	trans	-103.1	-38.6	179	-163.8	0	0	0	0	111.7	Y68 L69 K71 F73 K103 R104	Y68-V106 HydrophobicContact CD1-CB 3.94Å; Y68-V106 HydrophobicContact CD1-CG1 4.36Å; Y68-V106 HydrophobicContact CD1-CG2 4.11Å; Y68-V106 HydrophobicContact CE1-CB 4.13Å; L69-V106 HydrophobicContact CB-CG1 4Å; L69-V106 HydrophobicContact CD1-CG1 4.12Å; K71-V106 HydrophobicContact CB-CG2 4.44Å; K71-V106 HydrophobicContact CD-CG1 4.36Å; K71-V106 HydrophobicContact CD-CG2 3.81Å; F73-V106 HydrophobicContact CE2-CG2 3.96Å; F73-V106 HydrophobicContact CZ-CG2 3.64Å; K103-V106 PolarHBondContact O-N 2.9Å; K103-V106 VanDerWaalsContact O-N 3.16Å; R104-V106 PolarHBondContact O-N 2.84Å
107	N	78.5	Confident	75.7	Confident	62 Å²	62	56.4 Å²	56.4	33%	0.332	32%	0.323	S	S	.	.			trans	-132.7	98.4	175.9	-176.8	-11.9	0	0	0	110.6	K103 R104 A109 K110	K103-N107 PolarHBondContact O-N 3.22Å; R104-N107 CarbonylContact O-C 3.41Å; N107-A109 PolarHBondContact O-N 3.44Å; N107-A109 VanDerWaalsContact O-N 3.17Å; N107-A109 PolarHBondContact OD1-N 3.38Å; N107-A109 VanDerWaalsContact OD1-N 3.11Å; N107-K110 HydrophobicContact CB-CB 4.48Å; N107-K110 WeakPolarHBondContact O-CB 3.33Å; N107-K110 PolarHBondContact O-N 2.96Å; N107-K110 VanDerWaalsContact O-N 3.16Å
108	P	73.5	Confident	75.4	Confident	116 Å²	116	55.5 Å²	55.5	75%	0.753	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.1	-177.9	-26.2	35.4	0	0	0	115.3	K110	P108-K110 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 3.25Å
109	A	66.6	Low	75.4	Confident	83 Å²	83	55.5 Å²	55.5	69%	0.686	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-11.8	179.6	0	0	0	0	0	113.4	N107 K111	N107-A109 PolarHBondContact O-N 3.44Å; N107-A109 VanDerWaalsContact O-N 3.17Å; N107-A109 PolarHBondContact OD1-N 3.38Å; N107-A109 VanDerWaalsContact OD1-N 3.11Å; A109-K111 PolarHBondContact O-N 3.02Å
110	K	66.6	Low	75.5	Confident	71 Å²	71	59.7 Å²	59.7	31%	0.309	33%	0.33	S	S	.	.			trans	-79.5	108.6	-175.1	-161.2	153.4	-172.7	155.2	0	111.5	Y68 R104 N107 P108	Y68-K110 VanDerWaalsContact OH-CD 3.27Å; Y68-K110 WeakPolarHBondContact OH-CD 3.31Å; Y68-K110 PolarHBondContact OH-NZ 3.2Å; R104-K110 VanDerWaalsContact CG-O 3.29Å; R104-K110 WeakPolarHBondContact CG-O 3.45Å; R104-K110 PolarHBondContact NE-O 2.95Å; N107-K110 HydrophobicContact CB-CB 4.48Å; N107-K110 WeakPolarHBondContact O-CB 3.33Å; N107-K110 PolarHBondContact O-N 2.96Å; N107-K110 VanDerWaalsContact O-N 3.16Å; P108-K110 VanDerWaalsContact C-N 3.29Å; P108-K110 PolarHBondContact O-N 3.25Å
111	K	50.9	Low	75.7	Confident	176 Å²	176	58.6 Å²	58.6	77%	0.765	32%	0.323	S	S	*	.			trans	-79.9	-26.6	-176.2	-66.8	-176.3	-179.2	177.2	0	114.1	R104 A109	R104-K111 PolarHBondContact NH2-O 3.12Å; A109-K111 PolarHBondContact O-N 3.02Å
112	S	54.2	Low	75.8	Confident	94 Å²	94	63 Å²	63	66%	0.657	34%	0.338	S	S	*	.			trans	-142.3	149.6	-173.8	-60.7	0	0	0	0	113
113	G	58.2	Low	75.6	Confident	17 Å²	17	65.9 Å²	65.9	18%	0.175	37%	0.367	C	S	.	.			trans	-143.3	137.3	173.1	0	0	0	0	0	113.1	G115	G113-G115 PolarHBondContact O-N 3.26Å; G113-G115 VanDerWaalsContact O-N 3.1Å
114	C	68.3	Low	75.7	Confident	81 Å²	81	69.9 Å²	69.9	55%	0.547	39%	0.386	S	S	.	.			trans	-72.8	97.9	173.9	-174.4	0	0	0	0	110.8	W116 A117 S118	C114-W116 PolarHBondContact O-N 2.82Å; C114-A117 HydrophobicContact CB-CB 4.36Å; C114-S118 WeakPolarHBondContact O-CB 3.13Å; C114-S118 PolarHBondContact O-N 2.84Å; C114-S118 PolarHBondContact O-OG 3.45Å
115	G	69.4	Low	75.8	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-40.8	-175.8	0	0	0	0	0	114.9	G113 S118 V119	G113-G115 PolarHBondContact O-N 3.26Å; G113-G115 VanDerWaalsContact O-N 3.1Å; G115-S118 PolarHBondContact O-N 2.67Å; G115-V119 VanDerWaalsContact O-CB 3.3Å; G115-V119 WeakPolarHBondContact O-CB 3.2Å; G115-V119 WeakPolarHBondContact O-CG2 3.44Å; G115-V119 PolarHBondContact O-N 2.99Å
116	W	77.8	Confident	75.9	Confident	41 Å²	41	63.3 Å²	63.3	16%	0.155	36%	0.357	C	S	.	.	H	α-helix	trans	-74.9	-30.1	-173.8	-70.5	91.6	0	0	0	114.1	I46 L48 L51 P95 C114 L126 A127 K130	I46-W116 WeakPolarHBondContact O-CH2 3.28Å; I46-W116 WeakPolarHBondContact O-CZ2 3.29Å; L48-W116 HydrophobicContact CG-CH2 4.4Å; L51-W116 HydrophobicContact CD1-CH2 4.31Å; L51-W116 HydrophobicContact CD1-CZ3 3.94Å; P95-W116 HydrophobicContact CG-CH2 4.47Å; P95-W116 HydrophobicContact CG-CZ2 4.14Å; C114-W116 PolarHBondContact O-N 2.82Å; W116-L126 HydrophobicContact CE3-CB 3.64Å; W116-L126 HydrophobicContact CE3-CD1 4.36Å; W116-L126 HydrophobicContact CZ3-CB 4.01Å; W116-L126 HydrophobicContact CZ3-CD1 4.33Å; W116-A127 PolarHBondContact O-N 3Å; W116-K130 HydrophobicContact CD2-CD 4.34Å; W116-K130 HydrophobicContact CE3-CD 4.12Å; W116-K130 HydrophobicContact CZ3-CD 4.46Å
117	A	74.4	Confident	75.9	Confident	42 Å²	42	62.7 Å²	62.7	35%	0.347	36%	0.356	S	S	.	.	H	α-helix	trans	-81.6	-27.3	176	0	0	0	0	0	112.3	C114	C114-A117 HydrophobicContact CB-CB 4.36Å
118	S	79.3	Confident	76.1	Confident	25 Å²	25	64.4 Å²	64.4	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-91.8	-29.8	-177.1	-72.3	0	0	0	0	114.8	K103 C114 G115	K103-S118 WeakPolarHBondContact CE-OG 3.26Å; K103-S118 PolarHBondContact NZ-OG 3.08Å; C114-S118 WeakPolarHBondContact O-CB 3.13Å; C114-S118 PolarHBondContact O-N 2.84Å; C114-S118 PolarHBondContact O-OG 3.45Å; G115-S118 PolarHBondContact O-N 2.67Å
119	V	88	Confident	76.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.6	179.6	176.9	0	0	0	0	110.2	L64 I66 P95 W98 A99 G115 L126	L64-V119 HydrophobicContact CB-CG1 4.35Å; L64-V119 HydrophobicContact CD2-CG1 3.85Å; I66-V119 HydrophobicContact CD1-CG2 3.68Å; I66-V119 HydrophobicContact CG1-CB 4.45Å; I66-V119 HydrophobicContact CG1-CG2 3.76Å; P95-V119 HydrophobicContact CB-CG2 4.14Å; W98-V119 HydrophobicContact CE3-CG1 4.25Å; W98-V119 HydrophobicContact CE3-CG2 3.77Å; W98-V119 HydrophobicContact CZ3-CG1 3.84Å; W98-V119 HydrophobicContact CZ3-CG2 3.99Å; A99-V119 HydrophobicContact CB-CG2 4.34Å; G115-V119 VanDerWaalsContact O-CB 3.3Å; G115-V119 WeakPolarHBondContact O-CB 3.2Å; G115-V119 WeakPolarHBondContact O-CG2 3.44Å; G115-V119 PolarHBondContact O-N 2.99Å; V119-L126 HydrophobicContact CB-CD1 3.85Å; V119-L126 HydrophobicContact CB-CG 4.36Å; V119-L126 HydrophobicContact CG1-CD1 3.45Å; V119-L126 VanDerWaalsContact CG1-CD1 3.45Å; V119-L126 HydrophobicContact CG1-CG 3.98Å; V119-L126 PolarHBondContact O-N 3.45Å
120	R	89.7	Confident	77.1	Confident	87 Å²	87	57.6 Å²	57.6	33%	0.328	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.8	173.5	-65.5	-178.8	172.8	91.1	-4.1	110.3	L64 A65 Q124 K125	L64-R120 CarbonylContact C-O 3.59Å; L64-R120 VanDerWaalsContact CA-O 3.25Å; L64-R120 WeakPolarHBondContact CA-O 3.24Å; A65-R120 PolarHBondContact N-O 3.28Å; A65-R120 PolarHBondContact O-N 3.03Å; R120-Q124 CarbonylContact C-O 3.57Å; R120-Q124 WeakPolarHBondContact CA-O 3.06Å; R120-K125 HydrophobicContact CG-CG 4.34Å
121	Y	90.4	Very high	77.6	Confident	5 Å²	5	57.2 Å²	57.2	2%	0.02	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.5	167.2	177.8	-101.5	0	0	0	109.2	V57 E58 V63 L64 L77 G123 Q124 Y129	V57-Y121 HydrophobicContact CB-CD1 4.36Å; V57-Y121 HydrophobicContact CB-CE1 4.08Å; V57-Y121 HydrophobicContact CB-CE2 4.24Å; V57-Y121 HydrophobicContact CG1-CD1 3.9Å; V57-Y121 HydrophobicContact CG1-CE1 4.06Å; V57-Y121 HydrophobicContact CG1-CG 4.17Å; E58-Y121 PolarHBondContact N-OH 2.91Å; E58-Y121 WeakPolarHBondContact O-CE2 3.35Å; E58-Y121 PolarHBondContact O-OH 2.88Å; V63-Y121 HydrophobicContact CB-CD2 3.97Å; V63-Y121 HydrophobicContact CB-CE2 3.6Å; V63-Y121 HydrophobicContact CG1-CE2 4.4Å; V63-Y121 HydrophobicContact CG2-CD2 3.91Å; V63-Y121 HydrophobicContact CG2-CE2 3.53Å; V63-Y121 CarbonylContact O-C 3.58Å; V63-Y121 WeakPolarHBondContact O-CA 3.3Å; L64-Y121 HydrophobicContact CD2-CD2 3.79Å; L64-Y121 HydrophobicContact CD2-CG 4.35Å; L64-Y121 HydrophobicContact CG-CD2 4.49Å; L77-Y121 HydrophobicContact CD2-CD2 4.45Å; L77-Y121 HydrophobicContact CD2-CE2 4.12Å; Y121-G123 PolarHBondContact O-N 2.92Å; Y121-G123 VanDerWaalsContact O-N 3.09Å; Y121-Q124 PolarHBondContact N-O 2.9Å; Y121-Q124 PolarHBondContact O-N 3.38Å; Y121-Y129 HydrophobicContact CD1-CE1 4.28Å; Y121-Y129 HydrophobicContact CD1-CE2 4.08Å; Y121-Y129 AromaticContact CD1-CZ 3.77Å
122	R	86.9	Confident	78.9	Confident	150 Å²	150	52.9 Å²	52.9	57%	0.566	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	42.1	-175.8	-63.7	-175.5	176.7	163.4	5.1	113	E58 V63 Q124	E58-R122 IonicContact OE2-CZ 3.67Å; E58-R122 IonicContact OE2-NH1 2.82Å; E58-R122 PolarHBondContact OE2-NH1 3.49Å; E58-R122 IonicContact OE2-NH2 2.84Å; E58-R122 PolarHBondContact OE2-NH2 3.36Å; V63-R122 PolarHBondContact O-N 3.24Å; R122-Q124 PolarHBondContact O-N 2.93Å
123	G	81.8	Confident	80.1	Confident	60 Å²	60	49.3 Å²	49.3	62%	0.619	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-12.3	178.3	0	0	0	0	0	116.3	Y121	Y121-G123 PolarHBondContact O-N 2.92Å; Y121-G123 VanDerWaalsContact O-N 3.09Å
124	Q	85.6	Confident	80.9	Confident	101 Å²	101	50 Å²	50	47%	0.472	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143	178.7	-71.4	-174.8	-3	0	0	112	R120 Y121 R122 L126 Y129	R120-Q124 CarbonylContact C-O 3.57Å; R120-Q124 WeakPolarHBondContact CA-O 3.06Å; Y121-Q124 PolarHBondContact N-O 2.9Å; Y121-Q124 PolarHBondContact O-N 3.38Å; R122-Q124 PolarHBondContact O-N 2.93Å; Q124-L126 PolarHBondContact O-N 2.92Å; Q124-Y129 HydrophobicContact CB-CE2 3.62Å; Q124-Y129 PolarHBondContact OE1-OH 2.7Å
125	K	87.6	Confident	81.1	Confident	78 Å²	78	50.7 Å²	50.7	34%	0.339	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	135.9	-178.1	-68.5	-178.6	178.4	179.9	0	110.1	R120 A127 Q128	R120-K125 HydrophobicContact CG-CG 4.34Å; K125-A127 PolarHBondContact O-N 3.02Å; K125-A127 VanDerWaalsContact O-N 3.11Å; K125-Q128 HydrophobicContact CB-CG 4.39Å; K125-Q128 WeakPolarHBondContact O-CB 3.48Å; K125-Q128 PolarHBondContact O-N 2.73Å
126	L	83.5	Confident	81.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-27.8	177.4	-79.2	-177.9	0	0	0	113	L48 L64 P95 W116 V119 Q124 Q128 Y129 K130	L48-L126 HydrophobicContact CD2-CD1 3.91Å; L48-L126 HydrophobicContact CD2-CD2 3.96Å; L64-L126 HydrophobicContact CD2-CD1 4.35Å; L64-L126 HydrophobicContact CD2-CD2 4.49Å; P95-L126 HydrophobicContact CB-CD1 4.22Å; P95-L126 HydrophobicContact CG-CD1 4.04Å; W116-L126 HydrophobicContact CE3-CB 3.64Å; W116-L126 HydrophobicContact CE3-CD1 4.36Å; W116-L126 HydrophobicContact CZ3-CB 4.01Å; W116-L126 HydrophobicContact CZ3-CD1 4.33Å; V119-L126 HydrophobicContact CB-CD1 3.85Å; V119-L126 HydrophobicContact CB-CG 4.36Å; V119-L126 HydrophobicContact CG1-CD1 3.45Å; V119-L126 VanDerWaalsContact CG1-CD1 3.45Å; V119-L126 HydrophobicContact CG1-CG 3.98Å; V119-L126 PolarHBondContact O-N 3.45Å; Q124-L126 PolarHBondContact O-N 2.92Å; L126-Q128 PolarHBondContact O-N 2.89Å; L126-Y129 HydrophobicContact CD2-CD2 4.47Å; L126-Y129 PolarHBondContact O-N 2.9Å; L126-K130 PolarHBondContact O-N 2.85Å; L126-K130 VanDerWaalsContact O-N 3.16Å
127	A	82.3	Confident	80.6	Confident	26 Å²	26	61.3 Å²	61.3	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-30.2	171.8	0	0	0	0	0	113.9	W116 K125 T131	W116-A127 PolarHBondContact O-N 3Å; K125-A127 PolarHBondContact O-N 3.02Å; K125-A127 VanDerWaalsContact O-N 3.11Å; A127-T131 PolarHBondContact O-N 3.34Å; A127-T131 VanDerWaalsContact O-N 3.14Å; A127-T131 PolarHBondContact O-OG1 2.85Å
128	Q	83.1	Confident	80	Confident	98 Å²	98	62.1 Å²	62.1	46%	0.458	30%	0.304	S	S	.	.	H	α-helix	trans	-73.4	-43.7	178.8	-67.4	173.1	-30.3	0	0	111.5	K125 L126 K130 T131 T132	K125-Q128 HydrophobicContact CB-CG 4.39Å; K125-Q128 WeakPolarHBondContact O-CB 3.48Å; K125-Q128 PolarHBondContact O-N 2.73Å; L126-Q128 PolarHBondContact O-N 2.89Å; Q128-K130 VanDerWaalsContact C-N 3.26Å; Q128-K130 PolarHBondContact O-N 2.98Å; Q128-T131 PolarHBondContact O-N 3.27Å; Q128-T131 VanDerWaalsContact O-N 3.16Å; Q128-T132 PolarHBondContact O-N 3.45Å; Q128-T132 PolarHBondContact O-OG1 2.96Å
129	Y	81.6	Confident	78.5	Confident	38 Å²	38	65.7 Å²	65.7	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-38.5	174.6	-67.7	-86.9	0	0	0	111.8	V57 Y121 Q124 L126 T131 T132 W133	V57-Y129 HydrophobicContact CG1-CD1 4.24Å; V57-Y129 HydrophobicContact CG1-CG 4.37Å; Y121-Y129 HydrophobicContact CD1-CE1 4.28Å; Y121-Y129 HydrophobicContact CD1-CE2 4.08Å; Y121-Y129 AromaticContact CD1-CZ 3.77Å; Q124-Y129 HydrophobicContact CB-CE2 3.62Å; Q124-Y129 PolarHBondContact OE1-OH 2.7Å; L126-Y129 HydrophobicContact CD2-CD2 4.47Å; L126-Y129 PolarHBondContact O-N 2.9Å; Y129-T131 VanDerWaalsContact C-N 3.35Å; Y129-T131 PolarHBondContact O-N 3.46Å; Y129-T132 PolarHBondContact O-N 3.14Å; Y129-W133 WeakPolarHBondContact O-CB 3.46Å; Y129-W133 PolarHBondContact O-N 3.16Å
130	K	78.9	Confident	76.4	Confident	18 Å²	18	71.1 Å²	71.1	8%	0.078	37%	0.365	C	S	.	.	H	α-helix	trans	-63.2	-39.8	175.3	-163.7	176	-158.9	-176.7	0	113	R43 I46 W116 L126 Q128 L134	R43-K130 HydrophobicContact CG-CD 4.3Å; R43-K130 WeakPolarHBondContact O-CE 3.39Å; R43-K130 PolarHBondContact O-NZ 2.96Å; I46-K130 HydrophobicContact CB-CD 4.44Å; I46-K130 HydrophobicContact CB-CG 3.96Å; I46-K130 HydrophobicContact CD1-CG 3.57Å; I46-K130 HydrophobicContact CG1-CG 4.39Å; I46-K130 HydrophobicContact CG2-CG 3.97Å; W116-K130 HydrophobicContact CD2-CD 4.34Å; W116-K130 HydrophobicContact CE3-CD 4.12Å; W116-K130 HydrophobicContact CZ3-CD 4.46Å; L126-K130 PolarHBondContact O-N 2.85Å; L126-K130 VanDerWaalsContact O-N 3.16Å; Q128-K130 VanDerWaalsContact C-N 3.26Å; Q128-K130 PolarHBondContact O-N 2.98Å; K130-L134 WeakPolarHBondContact O-CG 3.49Å; K130-L134 PolarHBondContact O-N 2.83Å
131	T	77.6	Confident	74.2	Confident	64 Å²	64	69.8 Å²	69.8	39%	0.393	37%	0.372	S	S	.	.	H	α-helix	trans	-71.5	-40.1	177.8	-54.2	0	0	0	0	110.8	R43 A127 Q128 Y129 L134 H135	R43-T131 PolarHBondContact NH2-OG1 2.95Å; R43-T131 VanDerWaalsContact NH2-OG1 3.11Å; A127-T131 PolarHBondContact O-N 3.34Å; A127-T131 VanDerWaalsContact O-N 3.14Å; A127-T131 PolarHBondContact O-OG1 2.85Å; Q128-T131 PolarHBondContact O-N 3.27Å; Q128-T131 VanDerWaalsContact O-N 3.16Å; Y129-T131 VanDerWaalsContact C-N 3.35Å; Y129-T131 PolarHBondContact O-N 3.46Å; T131-L134 PolarHBondContact O-N 3.38Å; T131-H135 PolarHBondContact O-N 2.93Å
132	T	78.4	Confident	71.5	Confident	84 Å²	84	74.9 Å²	74.9	52%	0.515	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-41.3	175.5	-52	0	0	0	0	111.9	Q128 Y129 H135 K136	Q128-T132 PolarHBondContact O-N 3.45Å; Q128-T132 PolarHBondContact O-OG1 2.96Å; Y129-T132 PolarHBondContact O-N 3.14Å; T132-H135 PolarHBondContact O-N 2.82Å; T132-K136 WeakPolarHBondContact O-CB 3.49Å; T132-K136 PolarHBondContact O-N 3.13Å
133	W	79.6	Confident	68.9	Low	19 Å²	19	75.7 Å²	75.7	7%	0.072	41%	0.412	C	S	.	.	H	α-helix	trans	-60.7	-46.2	174.7	-171.8	88.7	0	0	0	111.8	L41 I46 V50 L51 D54 L56 Y129 H135 K136 Y137	L41-W133 HydrophobicContact CB-CH2 4.09Å; L41-W133 HydrophobicContact CB-CZ3 4.2Å; L41-W133 HydrophobicContact CD1-CH2 3.55Å; L41-W133 HydrophobicContact CD1-CZ2 4.19Å; L41-W133 HydrophobicContact CD1-CZ3 4.4Å; L41-W133 HydrophobicContact CG-CH2 4.42Å; I46-W133 HydrophobicContact CD1-CD2 4.38Å; I46-W133 HydrophobicContact CD1-CE3 3.47Å; I46-W133 VanDerWaalsContact CD1-CE3 3.47Å; I46-W133 HydrophobicContact CD1-CZ3 3.87Å; I46-W133 HydrophobicContact CG1-CD2 4.46Å; I46-W133 HydrophobicContact CG1-CE3 3.72Å; I46-W133 HydrophobicContact CG1-CZ3 3.81Å; V50-W133 HydrophobicContact CG1-CZ2 3.86Å; L51-W133 HydrophobicContact CD2-CB 3.96Å; L51-W133 HydrophobicContact CD2-CG 4.04Å; D54-W133 PolarHBondContact OD2-NE1 3.32Å; L56-W133 HydrophobicContact CD2-CB 3.76Å; L56-W133 HydrophobicContact CD2-CG 4.34Å; Y129-W133 WeakPolarHBondContact O-CB 3.46Å; Y129-W133 PolarHBondContact O-N 3.16Å; W133-H135 PolarHBondContact O-N 3.27Å; W133-K136 PolarHBondContact O-N 3.48Å; W133-Y137 HydrophobicContact CD2-CD2 4.28Å; W133-Y137 AromaticContact CE2-CD2 3.97Å; W133-Y137 HydrophobicContact CG-CD2 4.37Å; W133-Y137 HydrophobicContact CZ2-CD2 4.4Å; W133-Y137 HydrophobicContact CZ2-CG 4.48Å; W133-Y137 AromaticContact NE1-CD2 3.87Å; W133-Y137 AromaticContact NE1-CE2 3.81Å; W133-Y137 WeakPolarHBondContact O-CD2 3.37Å; W133-Y137 PolarHBondContact O-N 3.45Å; W133-Y137 VanDerWaalsContact O-N 3.15Å
134	L	75.6	Confident	66.4	Low	31 Å²	31	78 Å²	78	16%	0.162	42%	0.419	C	S	.	.	H	α-helix	trans	-60	-45.2	176.9	-77.5	165.6	0	0	0	111.9	R43 I46 K130 T131 K136 Y137 Q138	R43-L134 HydrophobicContact CB-CD1 4.01Å; R43-L134 HydrophobicContact CG-CD1 3.76Å; I46-L134 HydrophobicContact CD1-CD1 3.89Å; I46-L134 HydrophobicContact CD1-CD2 3.8Å; I46-L134 HydrophobicContact CD1-CG 3.57Å; K130-L134 WeakPolarHBondContact O-CG 3.49Å; K130-L134 PolarHBondContact O-N 2.83Å; T131-L134 PolarHBondContact O-N 3.38Å; L134-K136 VanDerWaalsContact C-N 3.34Å; L134-K136 PolarHBondContact O-N 2.96Å; L134-Y137 PolarHBondContact O-N 3.07Å; L134-Q138 WeakPolarHBondContact O-CA 3.42Å; L134-Q138 VanDerWaalsContact O-CB 3.27Å; L134-Q138 WeakPolarHBondContact O-CB 3.27Å; L134-Q138 PolarHBondContact O-N 3.36Å
135	H	71.9	Confident	63.9	Low	97 Å²	97	82.5 Å²	82.5	45%	0.449	44%	0.442	S	S	.	.	H	α-helix	trans	-62	-41.3	179.6	-163.6	-91.6	0	0	0	112.4	T131 T132 W133 D142	T131-H135 PolarHBondContact O-N 2.93Å; T132-H135 PolarHBondContact O-N 2.82Å; W133-H135 PolarHBondContact O-N 3.27Å; H135-D142 IonicContact CD2-OD2 3.77Å; H135-D142 PolarHBondContact CD2-OD2 2.79Å; H135-D142 IonicContact CE1-OD2 2.81Å; H135-D142 IonicContact NE2-OD2 3.75Å; H135-D142 PolarHBondContact NE2-OD2 2.86Å
136	K	69.4	Low	61.1	Low	140 Å²	140	84.5 Å²	84.5	61%	0.609	46%	0.461	S	S	*	.	H	α-helix	trans	-69.2	-36.9	-178.9	-171.9	177.3	-179.6	-175.2	0	113.6	T132 W133 L134	T132-K136 WeakPolarHBondContact O-CB 3.49Å; T132-K136 PolarHBondContact O-N 3.13Å; W133-K136 PolarHBondContact O-N 3.48Å; L134-K136 VanDerWaalsContact C-N 3.34Å; L134-K136 PolarHBondContact O-N 2.96Å
137	Y	66.6	Low	58.4	Low	125 Å²	125	88.7 Å²	88.7	49%	0.49	49%	0.489	S	S	.	.	H	α-helix	trans	-100.9	-5.1	-176.3	-72.1	-90.8	0	0	0	113.5	W133 L134	W133-Y137 HydrophobicContact CD2-CD2 4.28Å; W133-Y137 AromaticContact CE2-CD2 3.97Å; W133-Y137 HydrophobicContact CG-CD2 4.37Å; W133-Y137 HydrophobicContact CZ2-CD2 4.4Å; W133-Y137 HydrophobicContact CZ2-CG 4.48Å; W133-Y137 AromaticContact NE1-CD2 3.87Å; W133-Y137 AromaticContact NE1-CE2 3.81Å; W133-Y137 WeakPolarHBondContact O-CD2 3.37Å; W133-Y137 PolarHBondContact O-N 3.45Å; W133-Y137 VanDerWaalsContact O-N 3.15Å; L134-Y137 PolarHBondContact O-N 3.07Å
138	Q	62.9	Low	56	Low	59 Å²	59	96 Å²	96	28%	0.276	52%	0.519	S	S	.	.			trans	-144.5	65.9	179	-156.3	177.1	-8.3	0	0	112	L40 L134 S140 A141	L40-Q138 HydrophobicContact CD2-CG 4.46Å; L134-Q138 WeakPolarHBondContact O-CA 3.42Å; L134-Q138 VanDerWaalsContact O-CB 3.27Å; L134-Q138 WeakPolarHBondContact O-CB 3.27Å; L134-Q138 PolarHBondContact O-N 3.36Å; Q138-S140 PolarHBondContact O-N 3.15Å; Q138-S140 VanDerWaalsContact O-N 3.08Å; Q138-A141 HydrophobicContact CG-CB 4.27Å; Q138-A141 PolarHBondContact O-N 3.47Å
139	P	48.3	Very low	53.3	Low	99 Å²	99	99 Å²	99	64%	0.643	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.3	-172.1	24.9	-33.4	0	0	0	115.2	A141	P139-A141 VanDerWaalsContact C-N 3.34Å
140	S	42.4	Very low	50.8	Low	115 Å²	115	103.7 Å²	103.7	80%	0.804	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-0.7	173	47.2	0	0	0	0	113.9	Q138	Q138-S140 PolarHBondContact O-N 3.15Å; Q138-S140 VanDerWaalsContact O-N 3.08Å
141	A	44.6	Very low	48.4	Very low	58 Å²	58	110 Å²	110	48%	0.479	60%	0.596	S	S	.	*			trans	-96.3	77.1	169.8	0	0	0	0	0	109.2	Q138 P139	Q138-A141 HydrophobicContact CG-CB 4.27Å; Q138-A141 PolarHBondContact O-N 3.47Å; P139-A141 VanDerWaalsContact C-N 3.34Å
142	D	32.5	Very low	46	Very low	112 Å²	112	114.2 Å²	114.2	60%	0.599	62%	0.616	S	S	*	*			trans	-136.9	146.7	167.4	-135.2	-14.2	0	0	0	113	H135	H135-D142 IonicContact CD2-OD2 3.77Å; H135-D142 PolarHBondContact CD2-OD2 2.79Å; H135-D142 IonicContact CE1-OD2 2.81Å; H135-D142 IonicContact NE2-OD2 3.75Å; H135-D142 PolarHBondContact NE2-OD2 2.86Å
143	M	32.5	Very low	43.7	Very low	167 Å²	167	119.2 Å²	119.2	82%	0.823	63%	0.633	S	S	*	*			trans	91.1	72.6	178.4	-56	-64.9	-82	0	0	118.3
144	S	30.6	Very low	41.3	Very low	110 Å²	110	125.7 Å²	125.7	77%	0.769	67%	0.669	S	S	*	*				-149.8	97.4	119.4	59	0	0	0	0	110.4	V146	S144-V146 PolarHBondContact O-N 3.24Å
145	M	32	Very low	39.1	Very low	195 Å²	195	133.9 Å²	133.9	96%	0.961	71%	0.707	S	S	*	*			trans	-66.3	111	156.1	-76.5	-165	-171.9	0	0	107.3
146	V	29.2	Very low	37.2	Very low	120 Å²	120	137.9 Å²	137.9	73%	0.727	73%	0.725	S	S	*	*			trans	-123.9	114	153.6	-173.2	0	0	0	0	105.3	S144 E148	S144-V146 PolarHBondContact O-N 3.24Å; V146-E148 PolarHBondContact O-N 3.26Å
147	S	27.4	Very low	35.2	Very low	87 Å²	87	140 Å²	140	61%	0.608	74%	0.738	S	S	*	*			trans	-52.6	116.4	168.7	35.6	0	0	0	0	109.1	E149	S147-E149 PolarHBondContact O-N 3.46Å
148	E	30.8	Very low	33.2	Very low	180 Å²	180	137.1 Å²	137.1	84%	0.841	75%	0.745	S	S	*	*			trans	-68.4	91.5	156.8	-69.8	177.2	174	0	0	105.4	V146 D150	V146-E148 PolarHBondContact O-N 3.26Å; E148-D150 PolarHBondContact O-N 3.04Å
149	E	26.9	Very low	31.5	Very low	162 Å²	162	144.5 Å²	144.5	76%	0.757	78%	0.777	S	S	*	*			trans	-68.1	116.9	165.2	-72.2	179.4	166.2	0	0	107.2	S147 D151	S147-E149 PolarHBondContact O-N 3.46Å; E149-D151 PolarHBondContact O-N 2.84Å
150	D	28.7	Very low	30.4	Very low	136 Å²	136	144.5 Å²	144.5	73%	0.727	79%	0.785	S	S	*	*			trans	-70	101.6	172.2	-83.1	-41.6	0	0	0	108	E148	E148-D150 PolarHBondContact O-N 3.04Å
151	D	27.6	Very low	29.6	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	78%	0.783	S	S	*	*			trans	-99.1	85	162.1	-82.1	-22.1	0	0	0	108.9	E149	E149-D151 PolarHBondContact O-N 2.84Å
152	D	28	Very low	28.7	Very low	152 Å²	152	146.8 Å²	146.8	81%	0.813	80%	0.798	S	S	*	*			trans	-104.8	92.3	157.7	-89.4	-32.2	0	0	0	106.2
153	E	30.3	Very low	28.4	Very low	190 Å²	190	150.1 Å²	150.1	89%	0.888	81%	0.809	S	S	*	*			trans	-104	118	163.1	-79.1	-168.1	165.2	0	0	110
154	D	29.4	Very low	28	Very low	155 Å²	155	146.6 Å²	146.6	83%	0.829	81%	0.807	S	S	*	*			trans	-72.5	135.6	169.2	-71.7	-54.9	0	0	0	110.7
155	E	29.8	Very low	27.7	Very low	202 Å²	202	149 Å²	149	94%	0.944	81%	0.811	S	S	*	*			trans	-139.2	123.5	144.1	-83	-162.2	160	0	0	110.7
156	E	30.6	Very low	27.4	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	81%	0.805	S	S	*	*			trans	-77.4	150.7	170.9	-74.4	-159	144.4	0	0	111.9
157	E	27.9	Very low	27.3	Very low	186 Å²	186	152.4 Å²	152.4	87%	0.869	81%	0.813	S	S	*	*				171.7	138.4	103	-98.3	-159.3	145	0	0	112.4
158	G	25.2	Very low	27.1	Very low	63 Å²	63	154.9 Å²	154.9	65%	0.649	82%	0.82	S	S	*	*			trans	114.7	86.4	131.8	0	0	0	0	0	120.2
159	K	26.1	Very low	26.9	Very low	215 Å²	215	154.6 Å²	154.6	94%	0.935	82%	0.816	S	S	*	*			trans	57.6	138.7	133.3	-60.2	174.5	-179.5	170.7	0	118.2
160	A	26.4	Very low	26.8	Very low	99 Å²	99	154.1 Å²	154.1	82%	0.818	82%	0.819	S	S	*	*			cis	-161.3	155.1	33.2	0	0	0	0	0	111.5
161	A	24.4	Very low	26.6	Very low	92 Å²	92	154.7 Å²	154.7	76%	0.76	82%	0.821	S	S	*	*			trans	-63.2	151.4	171.3	0	0	0	0	0	113.7
162	V	26.8	Very low	26.7	Very low	129 Å²	129	157 Å²	157	78%	0.782	82%	0.824	S	S	*	*				-158.3	117.5	126.9	-169	0	0	0	0	111.7
163	Q	25.3	Very low	26.8	Very low	182 Å²	182	155 Å²	155	85%	0.85	82%	0.82	S	S	*	*			trans	45.8	130.3	141.8	-55.4	169.5	22.6	0	0	124
164	A	23.6	Very low	26.6	Very low	92 Å²	92	153.6 Å²	153.6	76%	0.76	82%	0.818	S	S	*	*			trans	-69.7	151.4	156.4	0	0	0	0	0	112
165	D	25.3	Very low	26.9	Very low	161 Å²	161	152.3 Å²	152.3	86%	0.861	82%	0.816	S	S	*	*			trans	-145.6	113.3	150.1	-126.9	-24.3	0	0	0	109.8
166	E	24.8	Very low	26.8	Very low	181 Å²	181	150.8 Å²	150.8	85%	0.846	81%	0.811	S	S	*	*			trans	-84.8	134.8	163.1	-84.1	-166.2	110.9	0	0	108.9
167	K	27.1	Very low	26.9	Very low	205 Å²	205	148.3 Å²	148.3	89%	0.891	81%	0.808	S	S	*	*			trans	-161.6	93.4	146.6	-110.6	164.4	-166.3	174.4	0	113.8
168	N	24.5	Very low	26.9	Very low	140 Å²	140	144 Å²	144	75%	0.749	80%	0.798	S	S	*	*			trans	16.1	143.3	132.6	-126.7	-10.7	0	0	0	123.6
169	K	26.4	Very low	27.4	Very low	174 Å²	174	151.8 Å²	151.8	76%	0.757	81%	0.808	S	S	*	*			trans	80.6	128.4	153.9	-68.8	172.3	177.7	177.4	0	117.2
170	N	24.7	Very low	27.8	Very low	152 Å²	152	152.7 Å²	152.7	81%	0.813	81%	0.805	S	S	*	*				-165.8	152.8	51.7	-133.3	1.3	0	0	0	113.6
171	N	24.8	Very low	28.2	Very low	147 Å²	147	151.9 Å²	151.9	79%	0.786	80%	0.799	S	S	*	*			trans	-64.8	143.4	175.8	-71.7	-30.7	0	0	0	114.4
172	K	28.5	Very low	29.1	Very low	198 Å²	198	153.4 Å²	153.4	86%	0.861	79%	0.794	S	S	*	*				-178.3	159.8	105.6	-99.9	-168.7	179.3	-179	0	112.3
173	P	31.8	Very low	30.3	Very low	111 Å²	111	158 Å²	158	72%	0.721	80%	0.797	S	S	*	*			trans	-89.6	146.3	-151.2	35.9	-33	0	0	0	111.1
174	D	25.5	Very low	31.9	Very low	160 Å²	160	156.7 Å²	156.7	86%	0.856	79%	0.791	S	S	*	*			trans	-130.4	118.9	155.3	-143.5	-9.3	0	0	0	110.5	M176	D174-M176 PolarHBondContact O-N 3.37Å
175	V	35.1	Very low	34.3	Very low	129 Å²	129	158.1 Å²	158.1	78%	0.782	78%	0.777	S	S	*	*			trans	-78.1	99.5	177.3	173	0	0	0	0	105.6
176	M	27.9	Very low	37.2	Very low	169 Å²	169	157 Å²	157	83%	0.833	77%	0.769	S	S	*	*			trans	-142	89.8	158.6	-152	168.9	172.6	0	0	108	D174 S178	D174-M176 PolarHBondContact O-N 3.37Å; M176-S178 PolarHBondContact O-N 3.39Å
177	V	32	Very low	40.4	Very low	130 Å²	130	150 Å²	150	79%	0.788	74%	0.74	S	S	*	*			trans	-57.7	87.2	157.1	179.8	0	0	0	0	105.5	R179	V177-R179 PolarHBondContact O-N 3.39Å
178	S	28.2	Very low	43.6	Very low	94 Å²	94	142.3 Å²	142.3	66%	0.657	71%	0.71	S	S	*	*			trans	-64.2	98	167.3	-174.2	0	0	0	0	104.9	M176 R180	M176-S178 PolarHBondContact O-N 3.39Å; S178-R180 PolarHBondContact O-N 3.43Å
179	R	35.6	Very low	46.9	Very low	228 Å²	228	143.4 Å²	143.4	86%	0.86	70%	0.704	S	S	*	*			trans	-48.5	100.4	158.7	-73.4	179.2	174.2	-178.3	-2.7	104.6	V177 A181	V177-R179 PolarHBondContact O-N 3.39Å; R179-A181 PolarHBondContact O-N 3.29Å
180	R	35.8	Very low	50	Low	233 Å²	233	136.5 Å²	136.5	88%	0.879	67%	0.673	S	S	*	*			trans	-60.9	91.4	167.5	-76	-177.4	177.7	-178.1	-1.4	104.4	S178 D182	S178-R180 PolarHBondContact O-N 3.43Å; R180-D182 PolarHBondContact O-N 3.48Å
181	A	34	Very low	53	Low	82 Å²	82	134.4 Å²	134.4	68%	0.678	67%	0.669	S	S	*	*			trans	-50	136.4	169.5	0	0	0	0	0	106.7	R179 R183	R179-A181 PolarHBondContact O-N 3.29Å; A181-R183 PolarHBondContact O-N 2.94Å
182	D	44.5	Very low	56	Low	125 Å²	125	130.8 Å²	130.8	67%	0.668	66%	0.656	S	S	*	*			trans	-47.3	79.3	174.8	-133.7	-17.4	0	0	0	109.6	R180 E184	R180-D182 PolarHBondContact O-N 3.48Å; D182-E184 PolarHBondContact O-N 2.95Å; D182-E184 VanDerWaalsContact O-N 3.08Å
183	R	51	Low	58.9	Low	224 Å²	224	121.4 Å²	121.4	85%	0.845	62%	0.615	S	S	*	*			trans	-70.4	107.8	167.3	-92.7	-170.2	169	-165.9	-2.7	103.5	A181 R185	A181-R183 PolarHBondContact O-N 2.94Å; R183-R185 PolarHBondContact O-N 3.47Å
184	E	58.8	Low	61.3	Low	156 Å²	156	117.9 Å²	117.9	73%	0.729	60%	0.599	S	S	*	*			trans	-43.8	105.4	172.6	-167.2	169.2	-156.7	0	0	108.1	D182 I186	D182-E184 PolarHBondContact O-N 2.95Å; D182-E184 VanDerWaalsContact O-N 3.08Å; E184-I186 PolarHBondContact O-N 2.81Å
185	R	73.6	Confident	64.2	Low	121 Å²	121	114.2 Å²	114.2	46%	0.457	58%	0.582	S	S	.	*			trans	-74.4	95.6	-174.9	-69.2	-174.1	-173	168.5	4.3	106.6	R183 P187 L205	R183-R185 PolarHBondContact O-N 3.47Å; R185-P187 WeakPolarHBondContact O-CD 3.41Å; R185-L205 HydrophobicContact CB-CD1 3.75Å; R185-L205 HydrophobicContact CB-CG 4.11Å
186	I	86.1	Confident	66.7	Low	137 Å²	137	112.6 Å²	112.6	70%	0.703	56%	0.562	S	S	*	*			trans	-64.8	115.7	178.1	-59.2	171.9	0	0	0	107.7	E184	E184-I186 PolarHBondContact O-N 2.81Å
187	P	92.4	Very high	69.5	Low	36 Å²	36	108.2 Å²	108.2	23%	0.234	54%	0.542	C	S	.	.			trans	-62.6	144.9	176.8	-20.2	33.8	0	0	0	110.7	R185 L205 E207 P305 L307	R185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-L205 CarbonylContact C-O 3.07Å; P187-L205 WeakPolarHBondContact CA-O 3.29Å; P187-L205 HydrophobicContact CB-CB 4.22Å; P187-L205 HydrophobicContact CG-CB 4.4Å; P187-E207 HydrophobicContact CB-CG 3.95Å; P187-P305 HydrophobicContact CG-CG 4.32Å; P187-L307 HydrophobicContact CB-CD1 3.74Å; P187-L307 HydrophobicContact CG-CD1 3.55Å
188	V	94.9	Very high	71.9	Confident	43 Å²	43	107.3 Å²	107.3	26%	0.261	55%	0.548	S	S	.	.	B	Isolated β-bridge	trans	-106.4	147.1	177	-56	0	0	0	0	110.8	L193 T204 L205 V206 E207	V188-L193 HydrophobicContact CG2-CD2 3.66Å; V188-L193 HydrophobicContact CG2-CG 4.37Å; V188-T204 HydrophobicContact CG1-CG2 4.27Å; V188-T204 HydrophobicContact CG2-CG2 3.89Å; V188-L205 WeakPolarHBondContact CG2-O 3.42Å; V188-L205 PolarHBondContact N-O 3.45Å; V188-V206 HydrophobicContact CG2-CG2 4.36Å; V188-V206 CarbonylContact O-C 3.54Å; V188-V206 WeakPolarHBondContact O-CA 3.24Å; V188-E207 PolarHBondContact O-N 2.7Å
189	R	93.6	Very high	74.7	Confident	162 Å²	162	107 Å²	107	61%	0.611	55%	0.551	S	S	*	*			trans	-69.2	140.1	171.8	-75.8	177.7	179.8	-173.7	3.9	110.7	C191 S192 E207	R189-C191 PolarHBondContact O-N 2.97Å; R189-C191 VanDerWaalsContact O-N 3.16Å; R189-S192 WeakPolarHBondContact O-CB 3.33Å; R189-S192 PolarHBondContact O-N 3.35Å; R189-S192 PolarHBondContact O-OG 2.94Å; R189-E207 WeakPolarHBondContact CG-OE2 3.31Å; R189-E207 IonicContact NE-OE2 3.67Å; R189-E207 PolarHBondContact NE-OE2 3.16Å
190	Y	90.2	Very high	77.3	Confident	29 Å²	29	100.2 Å²	100.2	11%	0.114	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-51.6	-41.3	175.5	176.5	-92.9	0	0	0	112.9	S192 L193 Y368 G369 I370	Y190-S192 PolarHBondContact O-N 2.82Å; Y190-L193 HydrophobicContact CD2-CD1 3.92Å; Y190-L193 HydrophobicContact CE2-CD1 4.44Å; Y190-L193 WeakPolarHBondContact O-CB 3.39Å; Y190-L193 PolarHBondContact O-N 3.1Å; Y190-Y368 WeakPolarHBondContact CE2-O 3.23Å; Y190-Y368 PolarHBondContact OH-O 2.95Å; Y190-G369 WeakPolarHBondContact CE2-O 3.48Å; Y190-I370 HydrophobicContact CD1-CG1 4.24Å; Y190-I370 HydrophobicContact CD1-CG2 4.2Å; Y190-I370 HydrophobicContact CD2-CB 4.49Å; Y190-I370 HydrophobicContact CD2-CG1 4.49Å; Y190-I370 HydrophobicContact CD2-CG2 4.36Å; Y190-I370 HydrophobicContact CE1-CB 4.49Å; Y190-I370 HydrophobicContact CE1-CD1 4.25Å; Y190-I370 HydrophobicContact CE1-CG1 3.64Å; Y190-I370 HydrophobicContact CE1-CG2 4.45Å; Y190-I370 HydrophobicContact CE2-CB 4.27Å; Y190-I370 HydrophobicContact CE2-CG1 3.92Å; Y190-I370 HydrophobicContact CG-CG2 4.16Å; Y190-I370 VanDerWaalsContact CZ-CG1 3.45Å
191	C	87.8	Confident	80	Confident	109 Å²	109	93.1 Å²	93.1	74%	0.736	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-61.6	-17.1	179.5	63.7	0	0	0	0	114.4	R189	R189-C191 PolarHBondContact O-N 2.97Å; R189-C191 VanDerWaalsContact O-N 3.16Å
192	S	89.8	Confident	82.9	Confident	71 Å²	71	92.3 Å²	92.3	50%	0.497	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-88.3	-8.4	175.6	72.7	0	0	0	0	113.6	R189 Y190	R189-S192 WeakPolarHBondContact O-CB 3.33Å; R189-S192 PolarHBondContact O-N 3.35Å; R189-S192 PolarHBondContact O-OG 2.94Å; Y190-S192 PolarHBondContact O-N 2.82Å
193	L	87.6	Confident	85.2	Confident	1 Å²	1	89.9 Å²	89.9	1%	0.005	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-44.8	-177.6	-65.7	176.2	0	0	0	112.3	V188 Y190 R200 V206 L310 Y368	V188-L193 HydrophobicContact CG2-CD2 3.66Å; V188-L193 HydrophobicContact CG2-CG 4.37Å; Y190-L193 HydrophobicContact CD2-CD1 3.92Å; Y190-L193 HydrophobicContact CE2-CD1 4.44Å; Y190-L193 WeakPolarHBondContact O-CB 3.39Å; Y190-L193 PolarHBondContact O-N 3.1Å; L193-R200 PolarHBondContact O-NH1 3.4Å; L193-R200 PolarHBondContact O-NH2 2.83Å; L193-V206 HydrophobicContact CD1-CG1 4Å; L193-V206 HydrophobicContact CD1-CG2 3.98Å; L193-L310 HydrophobicContact CD1-CD2 3.83Å; L193-L310 HydrophobicContact CD2-CD2 4.07Å; L193-Y368 HydrophobicContact CB-CD2 4.45Å; L193-Y368 HydrophobicContact CD1-CD2 4.44Å
194	G	83.6	Confident	87.3	Confident	37 Å²	37	81 Å²	81	38%	0.381	45%	0.449	S	S	.	.			trans	60.5	-151.9	-172	0	0	0	0	0	112.5
195	T	86.3	Confident	89.1	Confident	82 Å²	82	73.8 Å²	73.8	50%	0.503	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-72.1	151.4	-179.1	-54	0	0	0	0	112.2	D197 N366 D367	T195-D197 PolarHBondContact O-N 3.2Å; T195-N366 HydrophobicContact CG2-CB 3.72Å; T195-D367 VanDerWaalsContact CA-OD1 3.27Å; T195-D367 WeakPolarHBondContact CA-OD1 3.43Å; T195-D367 PolarHBondContact OG1-OD1 2.95Å; T195-D367 VanDerWaalsContact OG1-OD1 3.05Å
196	R	87.9	Confident	90.2	Very high	95 Å²	95	68 Å²	68	36%	0.358	39%	0.393	S	S	.	.			trans	-56.5	136.6	179.8	-71.9	170	109.3	103.9	6.2	112	D314 N366 D367 Y368	R196-D314 IonicContact CZ-OD1 2.78Å; R196-D314 IonicContact NH1-OD1 3.62Å; R196-D314 IonicContact NH2-OD1 2.92Å; R196-D314 PolarHBondContact NH2-OD1 3.07Å; R196-D314 IonicContact NH2-OD2 3.99Å; R196-D314 PolarHBondContact NH2-OD2 3.49Å; R196-N366 WeakPolarHBondContact CB-O 3.44Å; R196-N366 WeakPolarHBondContact CD-O 3.4Å; R196-N366 WeakPolarHBondContact CG-O 3.43Å; R196-N366 PolarHBondContact N-O 3.04Å; R196-D367 PolarHBondContact NH1-O 3.33Å; R196-Y368 HydrophobicContact CB-CE2 4.25Å; R196-Y368 HydrophobicContact CG-CD1 4.14Å; R196-Y368 HydrophobicContact CG-CD2 3.85Å; R196-Y368 HydrophobicContact CG-CE1 4.01Å; R196-Y368 HydrophobicContact CG-CE2 3.72Å; R196-Y368 HydrophobicContact CG-CG 4.06Å
197	D	86.4	Confident	90.8	Very high	77 Å²	77	65 Å²	65	41%	0.412	38%	0.376	S	S	.	.			trans	-136.6	121.2	178.4	175.6	7.2	0	0	0	108.2	T195 A199 R200	T195-D197 PolarHBondContact O-N 3.2Å; D197-A199 PolarHBondContact O-N 3.03Å; D197-A199 WeakPolarHBondContact OD1-CB 3.48Å; D197-A199 PolarHBondContact OD1-N 3.44Å; D197-R200 HydrophobicContact CB-CG 4.11Å; D197-R200 WeakPolarHBondContact O-CB 3.26Å; D197-R200 PolarHBondContact O-N 2.89Å; D197-R200 VanDerWaalsContact O-N 3.13Å
198	A	81.7	Confident	91	Very high	112 Å²	112	65 Å²	65	93%	0.926	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.7	-179.2	0	0	0	0	0	113.2	R200	A198-R200 VanDerWaalsContact C-N 3.33Å
199	A	87.6	Confident	91	Very high	87 Å²	87	64.3 Å²	64.3	72%	0.719	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.9	175.4	0	0	0	0	0	113.4	D197	D197-A199 PolarHBondContact O-N 3.03Å; D197-A199 WeakPolarHBondContact OD1-CB 3.48Å; D197-A199 PolarHBondContact OD1-N 3.44Å
200	R	89.7	Confident	91.1	Very high	86 Å²	86	59 Å²	59	33%	0.325	36%	0.361	S	S	.	.	S	Bend	trans	-72.1	138.6	177.9	-71.8	-179.3	-173.2	-123.4	0.5	111	L193 D197 A198 P202 L310	L193-R200 PolarHBondContact O-NH1 3.4Å; L193-R200 PolarHBondContact O-NH2 2.83Å; D197-R200 HydrophobicContact CB-CG 4.11Å; D197-R200 WeakPolarHBondContact O-CB 3.26Å; D197-R200 PolarHBondContact O-N 2.89Å; D197-R200 VanDerWaalsContact O-N 3.13Å; A198-R200 VanDerWaalsContact C-N 3.33Å; R200-P202 WeakPolarHBondContact O-CD 3.45Å; R200-L310 HydrophobicContact CB-CD1 4.19Å
201	D	92.6	Very high	91.2	Very high	83 Å²	83	58.4 Å²	58.4	44%	0.444	36%	0.359	S	S	.	.			trans	-65.2	120.5	175	-176.2	-1.8	0	0	0	110.1	H203 T204	D201-H203 PolarHBondContact O-N 3.39Å; D201-H203 VanDerWaalsContact O-N 3.08Å; D201-H203 IonicContact OD1-CG 2.96Å; D201-H203 PolarHBondContact OD1-N 3.18Å; D201-H203 IonicContact OD1-ND1 3.06Å; D201-H203 PolarHBondContact OD1-ND1 3.36Å; D201-T204 VanDerWaalsContact O-CB 3.32Å; D201-T204 WeakPolarHBondContact O-CB 3.25Å; D201-T204 PolarHBondContact O-N 3.4Å; D201-T204 PolarHBondContact O-OG1 3Å
202	P	93.9	Very high	91.5	Very high	66 Å²	66	57.5 Å²	57.5	43%	0.429	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24	177.4	-25.2	34.7	0	0	0	113.9	R200 T204 S309 L310 Q311	R200-P202 WeakPolarHBondContact O-CD 3.45Å; P202-T204 VanDerWaalsContact C-N 3.27Å; P202-T204 PolarHBondContact O-N 2.64Å; P202-S309 WeakPolarHBondContact O-CB 3.36Å; P202-L310 PolarHBondContact O-N 3.06Å; P202-Q311 HydrophobicContact CB-CB 4.09Å; P202-Q311 PolarHBondContact O-N 2.83Å
203	H	94	Very high	91.7	Very high	73 Å²	73	57.7 Å²	57.7	34%	0.338	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	6.1	-179.6	-52.1	89.6	0	0	0	113.7	D201 L205	D201-H203 PolarHBondContact O-N 3.39Å; D201-H203 VanDerWaalsContact O-N 3.08Å; D201-H203 IonicContact OD1-CG 2.96Å; D201-H203 PolarHBondContact OD1-N 3.18Å; D201-H203 IonicContact OD1-ND1 3.06Å; D201-H203 PolarHBondContact OD1-ND1 3.36Å; H203-L205 PolarHBondContact O-N 3.03Å
204	T	95.1	Very high	91.8	Very high	39 Å²	39	59.4 Å²	59.4	24%	0.239	37%	0.369	C	S	.	.			trans	-62.9	120.1	174.6	-58	0	0	0	0	109.5	V188 D201 P202 S309 L310	V188-T204 HydrophobicContact CG1-CG2 4.27Å; V188-T204 HydrophobicContact CG2-CG2 3.89Å; D201-T204 VanDerWaalsContact O-CB 3.32Å; D201-T204 WeakPolarHBondContact O-CB 3.25Å; D201-T204 PolarHBondContact O-N 3.4Å; D201-T204 PolarHBondContact O-OG1 3Å; P202-T204 VanDerWaalsContact C-N 3.27Å; P202-T204 PolarHBondContact O-N 2.64Å; T204-S309 CarbonylContact O-C 3.57Å; T204-S309 VanDerWaalsContact O-CA 3.22Å; T204-S309 WeakPolarHBondContact O-CA 3.28Å; T204-L310 PolarHBondContact O-N 2.74Å
205	L	96.8	Very high	92.2	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-77.2	141.5	179.3	-59.7	-176.2	0	0	0	111.2	R185 P187 V188 H203 P305	R185-L205 HydrophobicContact CB-CD1 3.75Å; R185-L205 HydrophobicContact CB-CG 4.11Å; P187-L205 CarbonylContact C-O 3.07Å; P187-L205 WeakPolarHBondContact CA-O 3.29Å; P187-L205 HydrophobicContact CB-CB 4.22Å; P187-L205 HydrophobicContact CG-CB 4.4Å; V188-L205 WeakPolarHBondContact CG2-O 3.42Å; V188-L205 PolarHBondContact N-O 3.45Å; H203-L205 PolarHBondContact O-N 3.03Å; L205-P305 HydrophobicContact CD1-CG 3.55Å
206	V	96.9	Very high	92.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-122.9	132.2	-176.6	-172.7	0	0	0	0	109.9	V188 L193 P308 L310 I313 P371	V188-V206 HydrophobicContact CG2-CG2 4.36Å; V188-V206 CarbonylContact O-C 3.54Å; V188-V206 WeakPolarHBondContact O-CA 3.24Å; L193-V206 HydrophobicContact CD1-CG1 4Å; L193-V206 HydrophobicContact CD1-CG2 3.98Å; V206-P308 PolarHBondContact N-O 3.45Å; V206-L310 HydrophobicContact CG2-CD2 3.76Å; V206-L310 HydrophobicContact CG2-CG 4.31Å; V206-I313 HydrophobicContact CB-CD1 3.95Å; V206-I313 HydrophobicContact CG1-CD1 4.29Å; V206-I313 HydrophobicContact CG2-CD1 3.77Å; V206-P371 HydrophobicContact CB-CG 4.32Å; V206-P371 HydrophobicContact CG1-CG 3.79Å
207	E	97.3	Very high	92.7	Very high	73 Å²	73	71.8 Å²	71.8	34%	0.341	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-64.5	139.6	173.8	-65.9	-178.5	-177.6	0	0	111.1	P187 V188 R189	P187-E207 HydrophobicContact CB-CG 3.95Å; V188-E207 PolarHBondContact O-N 2.7Å; R189-E207 WeakPolarHBondContact CG-OE2 3.31Å; R189-E207 IonicContact NE-OE2 3.67Å; R189-E207 PolarHBondContact NE-OE2 3.16Å
208	L	97.3	Very high	93.1	Very high	36 Å²	36	70.3 Å²	70.3	19%	0.188	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-75.4	135	173.5	-65.5	179.9	0	0	0	111	L307 P308 T353 F355 P371 A373	L208-L307 HydrophobicContact CD1-CD2 4.4Å; L208-L307 HydrophobicContact CG-CD2 4.1Å; L208-P308 HydrophobicContact CD2-CG 3.66Å; L208-T353 HydrophobicContact CD1-CG2 3.2Å; L208-F355 HydrophobicContact CD1-CB 4.06Å; L208-F355 HydrophobicContact CD2-CB 3.8Å; L208-F355 HydrophobicContact CD2-CG 4.49Å; L208-P371 HydrophobicContact CD2-CB 3.69Å; L208-P371 HydrophobicContact CD2-CG 4.37Å; L208-A373 HydrophobicContact CB-CB 4.09Å; L208-A373 HydrophobicContact CD1-CB 4.04Å
209	S	95.9	Very high	93.5	Very high	29 Å²	29	67.1 Å²	67.1	20%	0.203	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-87.7	146.6	169.8	-60.7	0	0	0	0	110.6	P371 V372 A373	S209-P371 PolarHBondContact N-O 2.82Å; S209-V372 CarbonylContact O-C 3.57Å; S209-V372 WeakPolarHBondContact O-CA 3.34Å; S209-V372 WeakPolarHBondContact O-CB 3.14Å; S209-A373 PolarHBondContact O-N 3.06Å
210	A	94.6	Very high	93.9	Very high	49 Å²	49	63.1 Å²	63.1	41%	0.405	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-72.7	148.3	164.1	0	0	0	0	0	109.8	S212 A213	A210-S212 PolarHBondContact O-N 3.07Å; A210-A213 HydrophobicContact CB-CB 4.25Å; A210-A213 WeakPolarHBondContact O-CB 3.45Å; A210-A213 PolarHBondContact O-N 3.43Å
211	F	93.5	Very high	94.2	Very high	17 Å²	17	63.7 Å²	63.7	8%	0.075	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-41.2	173.6	-82	-83.7	0	0	0	112	A213 I214 N215 R216 F217 Q218 W356 V358 V372 A373 V374	F211-A213 VanDerWaalsContact C-N 3.31Å; F211-A213 PolarHBondContact O-N 3.35Å; F211-I214 WeakPolarHBondContact O-CG1 3.49Å; F211-I214 PolarHBondContact O-N 3.15Å; F211-N215 PolarHBondContact O-N 3.46Å; F211-R216 CarbonylContact C-O 3.51Å; F211-R216 WeakPolarHBondContact CB-O 3.42Å; F211-R216 HydrophobicContact CD1-CB 4.27Å; F211-R216 CarbonylContact O-C 3.59Å; F211-R216 PolarHBondContact O-N 2.87Å; F211-F217 WeakPolarHBondContact CD1-O 3.29Å; F211-Q218 HydrophobicContact CD2-CB 3.77Å; F211-Q218 HydrophobicContact CD2-CG 4.22Å; F211-Q218 HydrophobicContact CE2-CB 3.76Å; F211-Q218 HydrophobicContact CE2-CG 3.7Å; F211-Q218 HydrophobicContact CG-CB 4.2Å; F211-Q218 HydrophobicContact CZ-CB 4.18Å; F211-Q218 HydrophobicContact CZ-CG 4.02Å; F211-W356 AromaticContact CE1-CE3 3.92Å; F211-W356 HydrophobicContact CE1-CE3 3.92Å; F211-W356 HydrophobicContact CE1-CZ3 4.16Å; F211-W356 AromaticContact CZ-CE3 3.79Å; F211-W356 HydrophobicContact CZ-CE3 3.79Å; F211-W356 HydrophobicContact CZ-CZ3 4.42Å; F211-V358 HydrophobicContact CE1-CG2 4.42Å; F211-V372 HydrophobicContact CD1-CG2 4.37Å; F211-V372 HydrophobicContact CD2-CB 4.37Å; F211-V372 HydrophobicContact CD2-CG2 4.37Å; F211-V372 HydrophobicContact CE1-CB 4.48Å; F211-V372 HydrophobicContact CE1-CG2 3.75Å; F211-V372 HydrophobicContact CE2-CB 4.18Å; F211-V372 HydrophobicContact CE2-CG2 3.74Å; F211-V372 HydrophobicContact CZ-CB 4.25Å; F211-V372 HydrophobicContact CZ-CG2 3.4Å; F211-V372 VanDerWaalsContact CZ-CG2 3.4Å; F211-A373 WeakPolarHBondContact CD2-O 3.45Å; F211-A373 VanDerWaalsContact CE2-O 3.32Å; F211-A373 WeakPolarHBondContact CE2-O 3.49Å; F211-V374 HydrophobicContact CE2-CG2 4.48Å
212	S	93.9	Very high	94.5	Very high	91 Å²	91	59.9 Å²	59.9	64%	0.636	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.9	-34.5	177.2	55.6	0	0	0	0	113.3	A210 I214 N215 R216	A210-S212 PolarHBondContact O-N 3.07Å; S212-I214 PolarHBondContact O-N 3.46Å; S212-N215 PolarHBondContact O-N 3.05Å; S212-R216 PolarHBondContact N-O 3.47Å
213	A	92.6	Very high	94.7	Very high	74 Å²	74	57.3 Å²	57.3	61%	0.612	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-66.2	-20.8	178.7	0	0	0	0	0	112.9	A210 F211	A210-A213 HydrophobicContact CB-CB 4.25Å; A210-A213 WeakPolarHBondContact O-CB 3.45Å; A210-A213 PolarHBondContact O-N 3.43Å; F211-A213 VanDerWaalsContact C-N 3.31Å; F211-A213 PolarHBondContact O-N 3.35Å
214	I	90.6	Very high	95	Very high	38 Å²	38	53.9 Å²	53.9	20%	0.195	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-106.6	16.8	175.2	64.2	165.7	0	0	0	112.8	F211 S212 R216 V358 I370 V372	F211-I214 WeakPolarHBondContact O-CG1 3.49Å; F211-I214 PolarHBondContact O-N 3.15Å; S212-I214 PolarHBondContact O-N 3.46Å; I214-R216 VanDerWaalsContact C-N 3.27Å; I214-R216 HydrophobicContact CD1-CB 4.24Å; I214-R216 HydrophobicContact CD1-CG 4.18Å; I214-R216 HydrophobicContact CG1-CB 4.09Å; I214-R216 HydrophobicContact CG1-CG 4.17Å; I214-R216 PolarHBondContact O-N 3.25Å; I214-V358 HydrophobicContact CD1-CB 4.47Å; I214-V358 HydrophobicContact CD1-CG2 3.86Å; I214-I370 HydrophobicContact CG2-CG2 4.29Å; I214-V372 HydrophobicContact CD1-CG1 3.72Å
215	N	91.4	Very high	95.1	Very high	157 Å²	157	52.5 Å²	52.5	84%	0.84	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	39.1	-177.5	-57.2	-55.1	0	0	0	113.3	F211 S212	F211-N215 PolarHBondContact O-N 3.46Å; S212-N215 PolarHBondContact O-N 3.05Å
216	R	92.4	Very high	95.1	Very high	124 Å²	124	52.7 Å²	52.7	47%	0.468	29%	0.291	S	S	.	.			trans	-125.6	166.7	173.9	-63.6	-166.6	179.7	-160.3	2	110.6	F211 S212 I214	F211-R216 CarbonylContact C-O 3.51Å; F211-R216 WeakPolarHBondContact CB-O 3.42Å; F211-R216 HydrophobicContact CD1-CB 4.27Å; F211-R216 CarbonylContact O-C 3.59Å; F211-R216 PolarHBondContact O-N 2.87Å; S212-R216 PolarHBondContact N-O 3.47Å; I214-R216 VanDerWaalsContact C-N 3.27Å; I214-R216 HydrophobicContact CD1-CB 4.24Å; I214-R216 HydrophobicContact CD1-CG 4.18Å; I214-R216 HydrophobicContact CG1-CB 4.09Å; I214-R216 HydrophobicContact CG1-CG 4.17Å; I214-R216 PolarHBondContact O-N 3.25Å
217	F	92.8	Very high	95.2	Very high	193 Å²	193	53.1 Å²	53.1	85%	0.846	29%	0.293	S	S	*	.			trans	-108.6	153.8	168	-60.3	-77	0	0	0	109.3	F211 P219	F211-F217 WeakPolarHBondContact CD1-O 3.29Å; F217-P219 WeakPolarHBondContact O-CD 3.13Å
218	Q	94.6	Very high	95.2	Very high	46 Å²	46	49.8 Å²	49.8	22%	0.215	28%	0.277	C	S	.	.			trans	-61.3	123.5	170.4	-174.6	172.7	-66.8	0	0	109	F211 F220 E375	F211-Q218 HydrophobicContact CD2-CB 3.77Å; F211-Q218 HydrophobicContact CD2-CG 4.22Å; F211-Q218 HydrophobicContact CE2-CB 3.76Å; F211-Q218 HydrophobicContact CE2-CG 3.7Å; F211-Q218 HydrophobicContact CG-CB 4.2Å; F211-Q218 HydrophobicContact CZ-CB 4.18Å; F211-Q218 HydrophobicContact CZ-CG 4.02Å; Q218-F220 VanDerWaalsContact C-N 3.29Å; Q218-F220 VanDerWaalsContact CG-O 3.29Å; Q218-F220 WeakPolarHBondContact CG-O 3.29Å; Q218-F220 PolarHBondContact NE2-O 3.27Å; Q218-F220 PolarHBondContact O-N 2.92Å; Q218-E375 PolarHBondContact NE2-O 3.38Å
219	P	91.1	Very high	95.3	Very high	44 Å²	44	48.4 Å²	48.4	29%	0.286	27%	0.27	S	S	.	.	S	Bend	trans	-82.5	-1.4	-168.6	25.9	-26.9	0	0	0	114.8	F217 W356	F217-P219 WeakPolarHBondContact O-CD 3.13Å; P219-W356 HydrophobicContact CG-CE3 4.14Å; P219-W356 HydrophobicContact CG-CH2 3.66Å; P219-W356 HydrophobicContact CG-CZ2 4.46Å; P219-W356 HydrophobicContact CG-CZ3 3.47Å; P219-W356 VanDerWaalsContact CG-CZ3 3.47Å
220	F	94.7	Very high	95.4	Very high	3 Å²	3	47 Å²	47	1%	0.013	26%	0.261	C	S	.	.	S	Bend	trans	-157	153.6	179.9	51.1	-88.8	0	0	0	110.4	Q218 V222 W251 Q256 L258 F330 P332 W356	Q218-F220 VanDerWaalsContact C-N 3.29Å; Q218-F220 VanDerWaalsContact CG-O 3.29Å; Q218-F220 WeakPolarHBondContact CG-O 3.29Å; Q218-F220 PolarHBondContact NE2-O 3.27Å; Q218-F220 PolarHBondContact O-N 2.92Å; F220-V222 HydrophobicContact CD2-CG2 3.58Å; F220-V222 HydrophobicContact CE2-CG2 3.51Å; F220-W251 HydrophobicContact CB-CH2 3.8Å; F220-W251 HydrophobicContact CB-CZ3 3.79Å; F220-Q256 WeakPolarHBondContact CA-O 3.49Å; F220-L258 HydrophobicContact CD2-CB 4.46Å; F220-F330 HydrophobicContact CB-CE1 4.33Å; F220-F330 AromaticContact CD1-CE1 3.61Å; F220-F330 HydrophobicContact CD1-CE1 3.61Å; F220-F330 AromaticContact CD1-CZ 3.5Å; F220-F330 HydrophobicContact CD1-CZ 3.5Å; F220-F330 VanDerWaalsContact CD1-CZ 3.5Å; F220-F330 HydrophobicContact CE1-CE1 4.32Å; F220-F330 AromaticContact CE1-CZ 3.8Å; F220-F330 HydrophobicContact CE1-CZ 3.8Å; F220-F330 HydrophobicContact CG-CE1 4.27Å; F220-P332 HydrophobicContact CD1-CB 3.73Å; F220-P332 HydrophobicContact CD1-CG 4.38Å; F220-P332 HydrophobicContact CD2-CB 3.87Å; F220-P332 HydrophobicContact CD2-CG 4.14Å; F220-P332 HydrophobicContact CE1-CB 3.62Å; F220-P332 HydrophobicContact CE2-CB 3.76Å; F220-P332 HydrophobicContact CE2-CG 4.45Å; F220-P332 HydrophobicContact CG-CB 3.86Å; F220-P332 HydrophobicContact CG-CG 4.11Å; F220-P332 HydrophobicContact CZ-CB 3.64Å; F220-W356 HydrophobicContact CE1-CD2 4.05Å; F220-W356 AromaticContact CE1-CE2 3.9Å; F220-W356 HydrophobicContact CE1-CE3 4.48Å; F220-W356 HydrophobicContact CE1-CG 4.37Å; F220-W356 HydrophobicContact CE1-CZ2 4.24Å; F220-W356 HydrophobicContact CZ-CD2 4.27Å; F220-W356 HydrophobicContact CZ-CG 4.11Å
221	N	97	Very high	95.5	Very high	98 Å²	98	44.9 Å²	44.9	52%	0.524	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	149	171.6	-65.1	-49.7	0	0	0	110	Q256 L257 L258	N221-Q256 PolarHBondContact N-O 3.47Å; N221-L257 HydrophobicContact CB-CD1 3.7Å; N221-L258 PolarHBondContact O-N 3.37Å
222	V	98.4	Very high	95.8	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.8	176.1	-178	0	0	0	0	109.5	F220 V224 L258 V260 L334 V374 V376 T377	F220-V222 HydrophobicContact CD2-CG2 3.58Å; F220-V222 HydrophobicContact CE2-CG2 3.51Å; V222-V224 HydrophobicContact CG1-CG2 3.86Å; V222-L258 CarbonylContact C-O 3.47Å; V222-L258 WeakPolarHBondContact CA-O 3.24Å; V222-L258 HydrophobicContact CG2-CB 4.37Å; V222-L258 HydrophobicContact CG2-CD2 4.49Å; V222-V260 HydrophobicContact CG1-CG2 4.49Å; V222-L334 HydrophobicContact CG1-CD2 3.83Å; V222-L334 HydrophobicContact CG2-CD1 4.47Å; V222-V374 HydrophobicContact CB-CG1 4.42Å; V222-V374 HydrophobicContact CG2-CG1 3.71Å; V222-V376 HydrophobicContact CB-CB 4.34Å; V222-V376 HydrophobicContact CB-CG1 3.89Å; V222-V376 HydrophobicContact CG1-CB 4.23Å; V222-V376 HydrophobicContact CG1-CG1 3.71Å; V222-T377 PolarHBondContact O-N 2.88Å
223	A	98.6	Very high	96	Very high	12 Å²	12	39.8 Å²	39.8	10%	0.099	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.5	169	0	0	0	0	0	109.4	L257 L258 T259 V260 T377 V379	A223-L257 HydrophobicContact CB-CD1 4.11Å; A223-L258 PolarHBondContact N-O 2.74Å; A223-T259 HydrophobicContact CB-CG2 4.4Å; A223-T259 CarbonylContact O-C 3.55Å; A223-T259 WeakPolarHBondContact O-CA 3.05Å; A223-V260 PolarHBondContact O-N 3.21Å; A223-T377 CarbonylContact C-O 3.58Å; A223-T377 VanDerWaalsContact CA-O 3.28Å; A223-T377 WeakPolarHBondContact CA-O 3.46Å; A223-V379 HydrophobicContact CB-CG2 3.98Å
224	V	98.6	Very high	96.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126	179.7	-173.5	0	0	0	0	109.6	V222 V228 L229 V260 V376 T377 Y378 V379	V222-V224 HydrophobicContact CG1-CG2 3.86Å; V224-V228 HydrophobicContact CG1-CB 4.08Å; V224-V228 HydrophobicContact CG1-CG1 4.13Å; V224-L229 HydrophobicContact CG1-CD2 3.86Å; V224-L229 HydrophobicContact CG1-CG 4.01Å; V224-V260 HydrophobicContact CG1-CB 4.31Å; V224-V260 HydrophobicContact CG2-CB 4.22Å; V224-V260 HydrophobicContact CG2-CG2 4.17Å; V224-V376 HydrophobicContact CG2-CB 4.32Å; V224-V376 HydrophobicContact CG2-CG1 4.43Å; V224-T377 PolarHBondContact N-O 3.42Å; V224-Y378 HydrophobicContact CB-CD1 4.49Å; V224-V379 PolarHBondContact O-N 3.23Å
225	S	98.1	Very high	96.7	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.063	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	142.4	176.2	139.4	0	0	0	0	111.7	N227 V228 L229 V260 V379 D381	S225-N227 VanDerWaalsContact C-N 3.26Å; S225-N227 PolarHBondContact O-N 3.37Å; S225-N227 PolarHBondContact OG-N 3.47Å; S225-V228 WeakPolarHBondContact O-CB 3.39Å; S225-V228 PolarHBondContact O-N 3.07Å; S225-L229 PolarHBondContact O-N 3.47Å; S225-V260 PolarHBondContact N-O 3.1Å; S225-V260 VanDerWaalsContact N-O 3.13Å; S225-V379 CarbonylContact C-O 3.55Å; S225-V379 WeakPolarHBondContact CA-O 3.39Å; S225-D381 WeakPolarHBondContact CB-OD2 3.22Å; S225-D381 PolarHBondContact OG-OD2 3.41Å
226	S	97.4	Very high	97	Very high	9 Å²	9	27 Å²	27	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-33.1	178.4	63.4	0	0	0	0	112.4	V228 L229 L230 V379 D381 H429	S226-V228 VanDerWaalsContact C-N 3.27Å; S226-V228 PolarHBondContact O-N 3.25Å; S226-L229 PolarHBondContact O-N 2.96Å; S226-L230 WeakPolarHBondContact O-CB 3.35Å; S226-L230 PolarHBondContact O-N 2.96Å; S226-V379 PolarHBondContact N-O 3.18Å; S226-D381 PolarHBondContact N-OD2 3.34Å; S226-D381 VanDerWaalsContact N-OD2 3.1Å; S226-D381 PolarHBondContact OG-N 3.38Å; S226-D381 PolarHBondContact OG-OD2 2.96Å; S226-H429 WeakPolarHBondContact CB-O 3.47Å
227	N	97.4	Very high	97.3	Very high	9 Å²	9	21 Å²	21	5%	0.048	11%	0.108	C	C	.	.	H	α-helix	trans	-60.6	-33.6	172.7	-79.9	-31	0	0	0	113.1	S225 L231 D381 F383 V388	S225-N227 VanDerWaalsContact C-N 3.26Å; S225-N227 PolarHBondContact O-N 3.37Å; S225-N227 PolarHBondContact OG-N 3.47Å; N227-L231 PolarHBondContact O-N 3.06Å; N227-L231 VanDerWaalsContact O-N 3.15Å; N227-D381 WeakPolarHBondContact CB-OD2 3.33Å; N227-D381 PolarHBondContact N-OD2 2.99Å; N227-D381 WeakPolarHBondContact ND2-CB 3.45Å; N227-D381 VanDerWaalsContact ND2-CG 3.27Å; N227-D381 PolarHBondContact ND2-OD2 3.5Å; N227-F383 PolarHBondContact ND2-O 2.91Å; N227-V388 HydrophobicContact CB-CG2 4.08Å
228	V	98.4	Very high	97.5	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-66.2	-48.5	174.7	179.1	0	0	0	0	110.3	V224 S225 S226 L230 L231 M232 L247 V260 A263	V224-V228 HydrophobicContact CG1-CB 4.08Å; V224-V228 HydrophobicContact CG1-CG1 4.13Å; S225-V228 WeakPolarHBondContact O-CB 3.39Å; S225-V228 PolarHBondContact O-N 3.07Å; S226-V228 VanDerWaalsContact C-N 3.27Å; S226-V228 PolarHBondContact O-N 3.25Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 2.92Å; V228-L231 PolarHBondContact O-N 3.33Å; V228-M232 WeakPolarHBondContact O-CB 3.42Å; V228-M232 PolarHBondContact O-N 3.37Å; V228-L247 HydrophobicContact CG1-CD2 4.06Å; V228-V260 HydrophobicContact CG1-CG1 3.91Å; V228-V260 HydrophobicContact CG2-CG1 4.33Å; V228-A263 HydrophobicContact CG1-CB 4.04Å
229	L	98.2	Very high	97.6	Very high	8 Å²	8	9.8 Å²	9.8	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-61.7	-43.3	179.2	-61	174.8	0	0	0	111.4	V224 S225 S226 M232 D233 I352 Y378 H429	V224-L229 HydrophobicContact CG1-CD2 3.86Å; V224-L229 HydrophobicContact CG1-CG 4.01Å; S225-L229 PolarHBondContact O-N 3.47Å; S226-L229 PolarHBondContact O-N 2.96Å; L229-M232 HydrophobicContact CD2-CE 3.94Å; L229-M232 PolarHBondContact O-N 2.89Å; L229-D233 WeakPolarHBondContact O-CB 2.83Å; L229-D233 PolarHBondContact O-N 2.77Å; L229-I352 HydrophobicContact CD2-CD1 4.18Å; L229-I352 HydrophobicContact CD2-CG2 4.39Å; L229-Y378 HydrophobicContact CD1-CD1 3.53Å; L229-Y378 HydrophobicContact CD1-CE1 3.72Å; L229-Y378 HydrophobicContact CD1-CG 4.4Å; L229-Y378 HydrophobicContact CD2-CE1 4.24Å; L229-H429 HydrophobicContact CB-CB 4.1Å
230	L	98.1	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-49.8	179.1	-174.1	151.8	0	0	0	111.6	S226 V228 F234 L384 V388 M392 L426 H429 L440	S226-L230 WeakPolarHBondContact O-CB 3.35Å; S226-L230 PolarHBondContact O-N 2.96Å; V228-L230 VanDerWaalsContact C-N 3.33Å; V228-L230 PolarHBondContact O-N 2.92Å; L230-F234 VanDerWaalsContact O-CB 3.23Å; L230-F234 WeakPolarHBondContact O-CB 3.44Å; L230-F234 PolarHBondContact O-N 2.93Å; L230-L384 HydrophobicContact CD1-CD1 4.18Å; L230-L384 HydrophobicContact CD2-CD1 4.04Å; L230-V388 HydrophobicContact CD2-CG1 4.13Å; L230-M392 HydrophobicContact CD2-CE 4.18Å; L230-M392 HydrophobicContact CD2-SD 3.7Å; L230-L426 HydrophobicContact CG-CD2 4.38Å; L230-L426 VanDerWaalsContact O-CD2 3.29Å; L230-L426 WeakPolarHBondContact O-CD2 3.32Å; L230-H429 HydrophobicContact CB-CB 3.95Å; L230-L440 HydrophobicContact CD1-CD1 4.36Å
231	L	98.6	Very high	97.8	Very high	4 Å²	4	13 Å²	13	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-68.1	-42	-179.6	-178	58.7	0	0	0	112.2	N227 V228 F234 H235 A263 P265 V388 E391 M392 L395	N227-L231 PolarHBondContact O-N 3.06Å; N227-L231 VanDerWaalsContact O-N 3.15Å; V228-L231 PolarHBondContact O-N 3.33Å; L231-F234 PolarHBondContact O-N 2.91Å; L231-H235 WeakPolarHBondContact O-CB 3.4Å; L231-H235 PolarHBondContact O-N 3.44Å; L231-A263 HydrophobicContact CD2-CB 4.25Å; L231-P265 HydrophobicContact CD1-CG 4.29Å; L231-P265 HydrophobicContact CD2-CG 4.1Å; L231-P265 HydrophobicContact CG-CG 4.02Å; L231-V388 HydrophobicContact CB-CG1 4.19Å; L231-E391 HydrophobicContact CD1-CB 3.88Å; L231-E391 HydrophobicContact CD2-CB 3.76Å; L231-E391 HydrophobicContact CD2-CG 4.17Å; L231-M392 HydrophobicContact CD1-CG 3.71Å; L231-L395 HydrophobicContact CD1-CD1 4Å
232	M	98.5	Very high	97.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.2	-50.1	177.6	177.6	-179.3	71.4	0	0	111.1	V228 L229 F234 H235 C236 Y298 I336 I352	V228-M232 WeakPolarHBondContact O-CB 3.42Å; V228-M232 PolarHBondContact O-N 3.37Å; L229-M232 HydrophobicContact CD2-CE 3.94Å; L229-M232 PolarHBondContact O-N 2.89Å; M232-F234 VanDerWaalsContact C-N 3.34Å; M232-F234 PolarHBondContact O-N 2.9Å; M232-H235 WeakPolarHBondContact O-CB 3.45Å; M232-H235 PolarHBondContact O-N 3.4Å; M232-C236 PolarHBondContact O-N 2.79Å; M232-C236 VanDerWaalsContact O-N 3.08Å; M232-C236 PolarHBondContact O-SG 3.46Å; M232-Y298 HydrophobicContact CB-CE2 4.37Å; M232-Y298 HydrophobicContact CG-CD1 4.2Å; M232-Y298 HydrophobicContact CG-CD2 3.48Å; M232-Y298 VanDerWaalsContact CG-CD2 3.48Å; M232-Y298 HydrophobicContact CG-CE1 4.29Å; M232-Y298 HydrophobicContact CG-CE2 3.59Å; M232-Y298 HydrophobicContact CG-CG 3.77Å; M232-Y298 HydrophobicContact SD-CD1 4.3Å; M232-Y298 HydrophobicContact SD-CD2 3.99Å; M232-Y298 HydrophobicContact SD-CG 3.77Å; M232-I336 HydrophobicContact CE-CG2 3.83Å; M232-I336 HydrophobicContact SD-CB 4.27Å; M232-I336 HydrophobicContact SD-CD1 4.36Å; M232-I336 HydrophobicContact SD-CG2 3.73Å; M232-I352 HydrophobicContact CE-CB 4.44Å; M232-I352 HydrophobicContact CE-CD1 3.74Å; M232-I352 HydrophobicContact CE-CG1 4.08Å; M232-I352 HydrophobicContact CE-CG2 3.5Å
233	D	98.4	Very high	97.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-43.7	178.7	-171	31.2	0	0	0	110.5	L229 H235 C236 H237 S350 S425 L426 H429	L229-D233 WeakPolarHBondContact O-CB 2.83Å; L229-D233 PolarHBondContact O-N 2.77Å; D233-H235 PolarHBondContact O-N 3.08Å; D233-C236 PolarHBondContact O-N 2.94Å; D233-H237 VanDerWaalsContact CG-CE1 3.48Å; D233-H237 PolarHBondContact O-N 3.21Å; D233-H237 PolarHBondContact O-ND1 3.41Å; D233-H237 IonicContact OD1-CE1 3.38Å; D233-H237 PolarHBondContact OD1-CE1 2.96Å; D233-H237 IonicContact OD1-ND1 3.59Å; D233-H237 PolarHBondContact OD1-ND1 2.96Å; D233-H237 IonicContact OD2-CE1 3.32Å; D233-H237 PolarHBondContact OD2-CE1 3.13Å; D233-S350 WeakPolarHBondContact OD1-CB 3.17Å; D233-S350 PolarHBondContact OD1-OG 2.85Å; D233-S425 WeakPolarHBondContact OD2-CB 3.3Å; D233-S425 PolarHBondContact OD2-OG 2.93Å; D233-L426 HydrophobicContact CB-CD2 3.8Å; D233-H429 IonicContact OD2-CD2 3.41Å; D233-H429 IonicContact OD2-NE2 2.77Å
234	F	98.5	Very high	97.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.3	-49.9	175	177	-105.1	0	0	0	111.4	L230 L231 M232 C236 H237 L238 M392 L395 V396 I422 L426 V443 L447	L230-F234 VanDerWaalsContact O-CB 3.23Å; L230-F234 WeakPolarHBondContact O-CB 3.44Å; L230-F234 PolarHBondContact O-N 2.93Å; L231-F234 PolarHBondContact O-N 2.91Å; M232-F234 VanDerWaalsContact C-N 3.34Å; M232-F234 PolarHBondContact O-N 2.9Å; F234-C236 VanDerWaalsContact C-N 3.31Å; F234-C236 PolarHBondContact O-N 3.33Å; F234-H237 WeakPolarHBondContact O-CB 3.45Å; F234-H237 PolarHBondContact O-N 3.49Å; F234-H237 VanDerWaalsContact O-N 3.09Å; F234-L238 HydrophobicContact CD1-CD1 4.23Å; F234-L238 HydrophobicContact CD2-CD2 4.48Å; F234-L238 HydrophobicContact CE1-CD1 3.78Å; F234-L238 HydrophobicContact CE1-CD2 4.19Å; F234-L238 HydrophobicContact CE1-CG 4.37Å; F234-L238 HydrophobicContact CE2-CD2 3.99Å; F234-L238 HydrophobicContact CZ-CD1 4.2Å; F234-L238 HydrophobicContact CZ-CD2 3.82Å; F234-L238 HydrophobicContact CZ-CG 4.49Å; F234-L238 WeakPolarHBondContact O-CG 3.39Å; F234-M392 HydrophobicContact CB-CE 4.08Å; F234-M392 HydrophobicContact CD1-CB 4.06Å; F234-M392 HydrophobicContact CD1-CE 3.86Å; F234-M392 HydrophobicContact CD1-CG 3.77Å; F234-M392 HydrophobicContact CD2-CE 3.44Å; F234-M392 VanDerWaalsContact CD2-CE 3.44Å; F234-M392 HydrophobicContact CE1-CB 3.72Å; F234-M392 HydrophobicContact CE1-CE 4.09Å; F234-M392 HydrophobicContact CE1-CG 3.97Å; F234-M392 WeakPolarHBondContact CE1-O 3.22Å; F234-M392 HydrophobicContact CE2-CE 3.68Å; F234-M392 HydrophobicContact CG-CE 3.51Å; F234-M392 HydrophobicContact CG-CG 4.3Å; F234-M392 HydrophobicContact CZ-CB 4.27Å; F234-M392 HydrophobicContact CZ-CE 4.01Å; F234-L395 HydrophobicContact CD1-CD1 3.97Å; F234-L395 HydrophobicContact CE1-CB 4.1Å; F234-L395 HydrophobicContact CE1-CD1 4.23Å; F234-V396 HydrophobicContact CE1-CG2 4.41Å; F234-V396 HydrophobicContact CZ-CG2 3.82Å; F234-I422 HydrophobicContact CD2-CD1 3.65Å; F234-I422 HydrophobicContact CE2-CD1 4Å; F234-L426 HydrophobicContact CB-CD1 4.09Å; F234-L426 HydrophobicContact CB-CD2 4.05Å; F234-L426 HydrophobicContact CD2-CD1 3.85Å; F234-L426 HydrophobicContact CG-CD1 4.45Å; F234-V443 HydrophobicContact CE2-CG1 3.71Å; F234-V443 HydrophobicContact CZ-CG1 3.58Å; F234-L447 HydrophobicContact CE2-CD1 3.9Å; F234-L447 HydrophobicContact CZ-CD1 4.43Å
235	H	98.5	Very high	97.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-55	-46.1	178	-176.2	-156.6	0	0	0	112.1	L231 M232 D233 H237 L238 V244 Y298 L395 Y399	L231-H235 WeakPolarHBondContact O-CB 3.4Å; L231-H235 PolarHBondContact O-N 3.44Å; M232-H235 WeakPolarHBondContact O-CB 3.45Å; M232-H235 PolarHBondContact O-N 3.4Å; D233-H235 PolarHBondContact O-N 3.08Å; H235-H237 PolarHBondContact O-N 3.29Å; H235-L238 PolarHBondContact O-N 3.47Å; H235-V244 PolarHBondContact CE1-O 2.8Å; H235-Y298 AromaticContact ND1-CE2 3.77Å; H235-Y298 AromaticContact ND1-CZ 3.64Å; H235-Y298 PolarHBondContact ND1-OH 3.19Å; H235-L395 HydrophobicContact CB-CD1 3.85Å; H235-Y399 AromaticContact CD2-CE2 3.71Å; H235-Y399 AromaticContact NE2-CE2 3.69Å; H235-Y399 AromaticContact NE2-CZ 3.85Å; H235-Y399 PolarHBondContact NE2-OH 2.91Å; H235-Y399 VanDerWaalsContact NE2-OH 3.1Å
236	C	98.3	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.8	-22.8	-179	-64.9	0	0	0	0	113.6	M232 D233 F234 C338 P340	M232-C236 PolarHBondContact O-N 2.79Å; M232-C236 VanDerWaalsContact O-N 3.08Å; M232-C236 PolarHBondContact O-SG 3.46Å; D233-C236 PolarHBondContact O-N 2.94Å; F234-C236 VanDerWaalsContact C-N 3.31Å; F234-C236 PolarHBondContact O-N 3.33Å; C236-C338 HydrophobicContact CB-CB 4.21Å; C236-C338 VanDerWaalsContact SG-CB 3.51Å; C236-P340 HydrophobicContact CB-CG 4.19Å; C236-P340 WeakPolarHBondContact O-CG 3.47Å
237	H	98.1	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-84.7	-14.9	178.9	-78	88.7	0	0	0	114.5	D233 F234 H235 T239 Y341 S350 V406 K421 I422	D233-H237 VanDerWaalsContact CG-CE1 3.48Å; D233-H237 PolarHBondContact O-N 3.21Å; D233-H237 PolarHBondContact O-ND1 3.41Å; D233-H237 IonicContact OD1-CE1 3.38Å; D233-H237 PolarHBondContact OD1-CE1 2.96Å; D233-H237 IonicContact OD1-ND1 3.59Å; D233-H237 PolarHBondContact OD1-ND1 2.96Å; D233-H237 IonicContact OD2-CE1 3.32Å; D233-H237 PolarHBondContact OD2-CE1 3.13Å; F234-H237 WeakPolarHBondContact O-CB 3.45Å; F234-H237 PolarHBondContact O-N 3.49Å; F234-H237 VanDerWaalsContact O-N 3.09Å; H235-H237 PolarHBondContact O-N 3.29Å; H237-T239 VanDerWaalsContact C-N 3.33Å; H237-T239 PolarHBondContact O-N 3.41Å; H237-Y341 AromaticContact CD2-CE1 3.92Å; H237-Y341 AromaticContact CD2-CZ 3.56Å; H237-Y341 PolarHBondContact CD2-OH 3.45Å; H237-Y341 VanDerWaalsContact CD2-OH 3.3Å; H237-Y341 PolarHBondContact O-OH 2.88Å; H237-Y341 VanDerWaalsContact O-OH 3.08Å; H237-S350 PolarHBondContact CE1-OG 2.79Å; H237-V406 VanDerWaalsContact O-CG2 3.26Å; H237-V406 WeakPolarHBondContact O-CG2 3.29Å; H237-K421 PolarHBondContact CE1-NZ 3.42Å; H237-K421 WeakPolarHBondContact NE2-CD 3.4Å; H237-K421 WeakPolarHBondContact NE2-CE 3.33Å; H237-K421 PolarHBondContact NE2-NZ 3.02Å; H237-I422 HydrophobicContact CB-CB 4.33Å; H237-I422 HydrophobicContact CB-CD1 3.52Å; H237-I422 HydrophobicContact CB-CG1 3.85Å
238	L	97.7	Very high	97.7	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.081	C	C	.	.	S	Bend	trans	-76.9	-21.4	-169.5	-61.6	-177.8	0	0	0	113.6	F234 H235 L395 Y399 L405 V406 F408 L447	F234-L238 HydrophobicContact CD1-CD1 4.23Å; F234-L238 HydrophobicContact CD2-CD2 4.48Å; F234-L238 HydrophobicContact CE1-CD1 3.78Å; F234-L238 HydrophobicContact CE1-CD2 4.19Å; F234-L238 HydrophobicContact CE1-CG 4.37Å; F234-L238 HydrophobicContact CE2-CD2 3.99Å; F234-L238 HydrophobicContact CZ-CD1 4.2Å; F234-L238 HydrophobicContact CZ-CD2 3.82Å; F234-L238 HydrophobicContact CZ-CG 4.49Å; F234-L238 WeakPolarHBondContact O-CG 3.39Å; H235-L238 PolarHBondContact O-N 3.47Å; L238-L395 HydrophobicContact CD1-CB 3.62Å; L238-L395 HydrophobicContact CD1-CD1 4.4Å; L238-L395 HydrophobicContact CD1-CG 4.48Å; L238-Y399 HydrophobicContact CB-CD2 3.78Å; L238-Y399 HydrophobicContact CB-CE2 4.23Å; L238-Y399 HydrophobicContact CB-CG 4.06Å; L238-Y399 HydrophobicContact CD1-CD2 3.59Å; L238-Y399 HydrophobicContact CD1-CE2 4.15Å; L238-Y399 HydrophobicContact CD1-CG 4.46Å; L238-Y399 HydrophobicContact CG-CD2 4.36Å; L238-L405 WeakPolarHBondContact O-CA 3.38Å; L238-L405 WeakPolarHBondContact O-CD1 3.45Å; L238-V406 PolarHBondContact O-N 3.09Å; L238-F408 HydrophobicContact CD2-CZ 3.95Å; L238-L447 HydrophobicContact CD2-CD1 4.2Å; L238-L447 HydrophobicContact CD2-CD2 3.79Å
239	T	96.4	Very high	97.7	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-139	152.9	-174.1	-179.5	0	0	0	0	112.2	H237 S241 V243 Y399 D404	H237-T239 VanDerWaalsContact C-N 3.33Å; H237-T239 PolarHBondContact O-N 3.41Å; T239-S241 VanDerWaalsContact C-N 3.27Å; T239-S241 WeakPolarHBondContact CG2-O 3.26Å; T239-S241 PolarHBondContact OG1-N 3.33Å; T239-V243 HydrophobicContact CG2-CG1 3.22Å; T239-Y399 HydrophobicContact CG2-CD1 4.44Å; T239-Y399 HydrophobicContact CG2-CE1 3.68Å; T239-D404 CarbonylContact C-O 3.54Å; T239-D404 WeakPolarHBondContact CA-O 3.36Å; T239-D404 PolarHBondContact OG1-O 2.96Å; T239-D404 PolarHBondContact OG1-OD2 3.26Å; T239-D404 VanDerWaalsContact OG1-OD2 3.07Å
240	T	95.5	Very high	97.6	Very high	66 Å²	66	20.5 Å²	20.5	41%	0.405	10%	0.102	S	C	.	.	S	Bend	trans	-79.3	-11	173.1	57.7	0	0	0	0	113.1	D404 V406	T240-D404 PolarHBondContact N-O 3.26Å; T240-D404 PolarHBondContact OG1-O 3.46Å; T240-D404 VanDerWaalsContact OG1-O 3.13Å; T240-V406 HydrophobicContact CG2-CG2 3.96Å
241	S	95.4	Very high	97.5	Very high	49 Å²	49	22.6 Å²	22.6	34%	0.343	11%	0.11	S	C	.	.	S	Bend	trans	-90	162	173.2	-63.5	0	0	0	0	112	T239 P302 D404	T239-S241 VanDerWaalsContact C-N 3.27Å; T239-S241 WeakPolarHBondContact CG2-O 3.26Å; T239-S241 PolarHBondContact OG1-N 3.33Å; S241-P302 VanDerWaalsContact O-CG 3.28Å; S241-P302 WeakPolarHBondContact O-CG 3.21Å; S241-D404 WeakPolarHBondContact CB-OD2 3.23Å; S241-D404 PolarHBondContact OG-OD2 3.3Å
242	E	95.9	Very high	97.3	Very high	82 Å²	82	25.4 Å²	25.4	38%	0.383	13%	0.126	S	C	.	.			trans	-67.2	139.5	172.3	-58.8	-174.8	170.1	0	0	110.6	L270 S300 H301	E242-L270 HydrophobicContact CB-CD1 4.4Å; E242-S300 WeakPolarHBondContact CA-OG 3.27Å; E242-S300 WeakPolarHBondContact CB-O 3.49Å; E242-S300 VanDerWaalsContact CG-O 3.25Å; E242-S300 WeakPolarHBondContact CG-O 3.48Å; E242-H301 IonicContact OE1-CD2 2.82Å
243	V	97.2	Very high	96.9	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.03	15%	0.153	C	C	.	.			trans	-118.1	158.2	174.7	-55.3	0	0	0	0	109.9	T239 H299 S300 Y399	T239-V243 HydrophobicContact CG2-CG1 3.22Å; V243-H299 CarbonylContact O-C 3.55Å; V243-H299 WeakPolarHBondContact O-CA 3.33Å; V243-H299 WeakPolarHBondContact O-CB 3.42Å; V243-S300 PolarHBondContact N-OG 2.82Å; V243-S300 PolarHBondContact O-N 3.42Å; V243-Y399 VanDerWaalsContact CG1-OH 3.25Å; V243-Y399 WeakPolarHBondContact CG1-OH 3.13Å
244	V	97.5	Very high	96.6	Very high	44 Å²	44	36.9 Å²	36.9	27%	0.267	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	157.5	176.3	-64.2	0	0	0	0	110.6	H235 C266 L270 Y298 H299	H235-V244 PolarHBondContact CE1-O 2.8Å; V244-C266 HydrophobicContact CG2-CB 3.92Å; V244-C266 VanDerWaalsContact O-CB 3.26Å; V244-C266 WeakPolarHBondContact O-CB 3.1Å; V244-C266 PolarHBondContact O-N 2.91Å; V244-L270 HydrophobicContact CG1-CD2 3.86Å; V244-L270 HydrophobicContact CG2-CD2 4.06Å; V244-Y298 CarbonylContact C-O 3.6Å; V244-Y298 WeakPolarHBondContact CA-O 3.45Å; V244-H299 HydrophobicContact CG1-CB 3.81Å
245	G	98.1	Very high	96.4	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	167.2	172	0	0	0	0	0	112.6	F264 W297 Y298	G245-F264 CarbonylContact C-O 3.57Å; G245-F264 VanDerWaalsContact CA-O 3.24Å; G245-F264 WeakPolarHBondContact CA-O 3.38Å; G245-W297 CarbonylContact O-C 3.58Å; G245-W297 VanDerWaalsContact O-CA 3.29Å; G245-W297 WeakPolarHBondContact O-CA 3.44Å; G245-Y298 PolarHBondContact N-O 2.58Å; G245-Y298 WeakPolarHBondContact O-CD1 3.29Å; G245-Y298 PolarHBondContact O-N 2.96Å
246	Y	98.4	Very high	96.2	Very high	43 Å²	43	45.5 Å²	45.5	17%	0.169	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	153.9	179.8	-69.2	-66.7	0	0	0	111.8	F264 E280 I283 L294 W297	Y246-F264 PolarHBondContact N-O 2.8Å; Y246-F264 PolarHBondContact O-N 3.31Å; Y246-E280 HydrophobicContact CE2-CG 3.98Å; Y246-E280 PolarHBondContact OH-OE1 3.21Å; Y246-I283 HydrophobicContact CD2-CD1 3.79Å; Y246-I283 HydrophobicContact CD2-CG2 4.12Å; Y246-I283 HydrophobicContact CE2-CD1 4.46Å; Y246-L294 HydrophobicContact CD1-CD1 3.74Å; Y246-L294 HydrophobicContact CG-CD1 4.08Å; Y246-W297 HydrophobicContact CD1-CB 4.27Å
247	L	98.7	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	177.6	-58.9	175.7	0	0	0	109.6	V228 V260 A263 V295 G296 Y298 I336	V228-L247 HydrophobicContact CG1-CD2 4.06Å; L247-V260 HydrophobicContact CB-CG1 3.98Å; L247-V260 HydrophobicContact CD1-CG1 4.42Å; L247-V260 HydrophobicContact CD2-CG1 4.21Å; L247-V260 HydrophobicContact CG-CG1 4.43Å; L247-A263 HydrophobicContact CD2-CB 4.37Å; L247-V295 HydrophobicContact CB-CG2 4.15Å; L247-V295 VanDerWaalsContact O-CG2 3.29Å; L247-V295 WeakPolarHBondContact O-CG2 3.32Å; L247-V295 PolarHBondContact O-N 2.92Å; L247-G296 PolarHBondContact N-O 2.73Å; L247-G296 PolarHBondContact O-N 2.81Å; L247-Y298 HydrophobicContact CD2-CD1 3.9Å; L247-Y298 HydrophobicContact CG-CD1 4.44Å; L247-I336 HydrophobicContact CD1-CD1 3.63Å; L247-I336 HydrophobicContact CD1-CG1 3.99Å
248	G	98.3	Very high	96.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.9	176.2	0	0	0	0	0	112.3	L261 R262 S293	G248-L261 PolarHBondContact O-N 3.24Å; G248-R262 PolarHBondContact N-O 3.43Å; G248-R262 PolarHBondContact O-N 2.99Å; G248-S293 WeakPolarHBondContact CA-O 3.26Å
249	G	97.8	Very high	96.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	-161.8	-171.7	0	0	0	0	0	114.5	T259 S293	G249-T259 CarbonylContact C-O 3.6Å; G249-T259 WeakPolarHBondContact CA-O 3.01Å; G249-S293 PolarHBondContact N-O 3.14Å; G249-S293 PolarHBondContact O-N 3.1Å
250	R	96.5	Very high	96.2	Very high	133 Å²	133	49.9 Å²	49.9	50%	0.502	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.7	177	-61.6	-173.7	-175.4	-69.3	-8.5	109.7	T259 L261 G291	R250-T259 PolarHBondContact N-O 3.07Å; R250-T259 PolarHBondContact O-N 3.01Å; R250-L261 HydrophobicContact CG-CD1 4.02Å; R250-G291 PolarHBondContact NH1-O 3.01Å; R250-G291 PolarHBondContact NH2-O 3.44Å
251	W	95.1	Very high	96.3	Very high	44 Å²	44	49.6 Å²	49.6	17%	0.167	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.9	171.1	169.9	-122.8	0	0	0	108.5	F220 T253 Q256 L258 F330 Q331 P332	F220-W251 HydrophobicContact CB-CH2 3.8Å; F220-W251 HydrophobicContact CB-CZ3 3.79Å; W251-T253 VanDerWaalsContact NE1-CG2 3.29Å; W251-Q256 VanDerWaalsContact CH2-CA 3.42Å; W251-Q256 HydrophobicContact CH2-CB 3.88Å; W251-Q256 HydrophobicContact CH2-CG 4.41Å; W251-L258 HydrophobicContact CB-CD1 4.22Å; W251-L258 HydrophobicContact CE3-CB 4.06Å; W251-L258 HydrophobicContact CE3-CD1 4.25Å; W251-L258 HydrophobicContact CZ3-CB 4.34Å; W251-F330 HydrophobicContact CH2-CD1 4.06Å; W251-F330 HydrophobicContact CH2-CE1 4.07Å; W251-F330 AromaticContact CZ2-CD1 3.68Å; W251-F330 HydrophobicContact CZ2-CD1 3.68Å; W251-F330 HydrophobicContact CZ2-CE1 4.14Å; W251-F330 PolarHBondContact NE1-O 2.95Å; W251-Q331 HydrophobicContact CG-CG 4.46Å; W251-P332 HydrophobicContact CD2-CG 3.94Å; W251-P332 HydrophobicContact CE3-CG 3.49Å; W251-P332 VanDerWaalsContact CE3-CG 3.49Å; W251-P332 HydrophobicContact CH2-CG 4.11Å; W251-P332 HydrophobicContact CZ3-CG 3.58Å
252	D	93.6	Very high	96.4	Very high	64 Å²	64	49.8 Å²	49.8	34%	0.342	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.2	172.6	-171.3	-31.9	0	0	0	109.3	N254 T255 Q256 L257	D252-N254 VanDerWaalsContact C-N 3.29Å; D252-N254 PolarHBondContact O-N 3Å; D252-N254 WeakPolarHBondContact OD1-CA 3.33Å; D252-N254 VanDerWaalsContact OD1-CB 3.31Å; D252-N254 WeakPolarHBondContact OD1-CB 3.25Å; D252-N254 PolarHBondContact OD1-N 2.99Å; D252-T255 WeakPolarHBondContact CB-OG1 3.47Å; D252-T255 PolarHBondContact OD1-N 2.61Å; D252-Q256 WeakPolarHBondContact O-CA 3.17Å; D252-Q256 PolarHBondContact O-N 3.18Å; D252-L257 PolarHBondContact N-O 3.04Å; D252-L257 PolarHBondContact O-N 3.49Å; D252-L257 VanDerWaalsContact O-N 3.16Å
253	T	91.3	Very high	96.6	Very high	93 Å²	93	46.2 Å²	46.2	57%	0.571	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.4	179.5	49.4	0	0	0	0	113.3	W251	W251-T253 VanDerWaalsContact NE1-CG2 3.29Å
254	N	91.8	Very high	96.6	Very high	147 Å²	147	46.6 Å²	46.6	79%	0.786	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-42.5	-177	-58.2	-46.1	0	0	0	110.9	D252	D252-N254 VanDerWaalsContact C-N 3.29Å; D252-N254 PolarHBondContact O-N 3Å; D252-N254 WeakPolarHBondContact OD1-CA 3.33Å; D252-N254 VanDerWaalsContact OD1-CB 3.31Å; D252-N254 WeakPolarHBondContact OD1-CB 3.25Å; D252-N254 PolarHBondContact OD1-N 2.99Å
255	T	94.3	Very high	96.6	Very high	75 Å²	75	44.6 Å²	44.6	46%	0.46	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-3.5	179.1	67.3	0	0	0	0	113.1	D252 L257	D252-T255 WeakPolarHBondContact CB-OG1 3.47Å; D252-T255 PolarHBondContact OD1-N 2.61Å; T255-L257 PolarHBondContact O-N 2.76Å; T255-L257 VanDerWaalsContact OG1-CB 3.28Å; T255-L257 WeakPolarHBondContact OG1-CB 3.29Å
256	Q	93.9	Very high	96.6	Very high	106 Å²	106	45 Å²	45	50%	0.495	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	41.7	-171.7	-60.5	-173.5	-38.3	0	0	112.6	F220 N221 W251 D252	F220-Q256 WeakPolarHBondContact CA-O 3.49Å; N221-Q256 PolarHBondContact N-O 3.47Å; W251-Q256 VanDerWaalsContact CH2-CA 3.42Å; W251-Q256 HydrophobicContact CH2-CB 3.88Å; W251-Q256 HydrophobicContact CH2-CG 4.41Å; D252-Q256 WeakPolarHBondContact O-CA 3.17Å; D252-Q256 PolarHBondContact O-N 3.18Å
257	L	96.6	Very high	96.4	Very high	55 Å²	55	45 Å²	45	29%	0.288	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.2	-176.7	179.6	62.3	0	0	0	110.9	N221 A223 D252 T255	N221-L257 HydrophobicContact CB-CD1 3.7Å; A223-L257 HydrophobicContact CB-CD1 4.11Å; D252-L257 PolarHBondContact N-O 3.04Å; D252-L257 PolarHBondContact O-N 3.49Å; D252-L257 VanDerWaalsContact O-N 3.16Å; T255-L257 PolarHBondContact O-N 2.76Å; T255-L257 VanDerWaalsContact OG1-CB 3.28Å; T255-L257 WeakPolarHBondContact OG1-CB 3.29Å
258	L	97.9	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.8	167	-171.1	65.6	0	0	0	109.2	F220 N221 V222 A223 W251 V295 P332 L334	F220-L258 HydrophobicContact CD2-CB 4.46Å; N221-L258 PolarHBondContact O-N 3.37Å; V222-L258 CarbonylContact C-O 3.47Å; V222-L258 WeakPolarHBondContact CA-O 3.24Å; V222-L258 HydrophobicContact CG2-CB 4.37Å; V222-L258 HydrophobicContact CG2-CD2 4.49Å; A223-L258 PolarHBondContact N-O 2.74Å; W251-L258 HydrophobicContact CB-CD1 4.22Å; W251-L258 HydrophobicContact CE3-CB 4.06Å; W251-L258 HydrophobicContact CE3-CD1 4.25Å; W251-L258 HydrophobicContact CZ3-CB 4.34Å; L258-V295 HydrophobicContact CD1-CB 3.65Å; L258-V295 HydrophobicContact CD1-CG1 3.56Å; L258-V295 HydrophobicContact CD2-CB 4.47Å; L258-V295 HydrophobicContact CG-CB 4.34Å; L258-P332 HydrophobicContact CB-CG 4.02Å; L258-P332 HydrophobicContact CD1-CG 3.84Å; L258-P332 HydrophobicContact CD2-CB 4.25Å; L258-P332 HydrophobicContact CD2-CG 3.97Å; L258-P332 HydrophobicContact CG-CG 4.16Å; L258-L334 HydrophobicContact CD2-CB 4.03Å
259	T	98.4	Very high	95.5	Very high	39 Å²	39	50 Å²	50	24%	0.239	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.7	175.6	-49.8	0	0	0	0	109.7	A223 G249 R250 L261	A223-T259 HydrophobicContact CB-CG2 4.4Å; A223-T259 CarbonylContact O-C 3.55Å; A223-T259 WeakPolarHBondContact O-CA 3.05Å; G249-T259 CarbonylContact C-O 3.6Å; G249-T259 WeakPolarHBondContact CA-O 3.01Å; R250-T259 PolarHBondContact N-O 3.07Å; R250-T259 PolarHBondContact O-N 3.01Å; T259-L261 HydrophobicContact CG2-CD2 3.56Å; T259-L261 HydrophobicContact CG2-CG 3.9Å
260	V	98.6	Very high	94.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.2	175.5	-171	0	0	0	0	108.8	V222 A223 V224 S225 V228 L247 V295 L334	V222-V260 HydrophobicContact CG1-CG2 4.49Å; A223-V260 PolarHBondContact O-N 3.21Å; V224-V260 HydrophobicContact CG1-CB 4.31Å; V224-V260 HydrophobicContact CG2-CB 4.22Å; V224-V260 HydrophobicContact CG2-CG2 4.17Å; S225-V260 PolarHBondContact N-O 3.1Å; S225-V260 VanDerWaalsContact N-O 3.13Å; V228-V260 HydrophobicContact CG1-CG1 3.91Å; V228-V260 HydrophobicContact CG2-CG1 4.33Å; L247-V260 HydrophobicContact CB-CG1 3.98Å; L247-V260 HydrophobicContact CD1-CG1 4.42Å; L247-V260 HydrophobicContact CD2-CG1 4.21Å; L247-V260 HydrophobicContact CG-CG1 4.43Å; V260-V295 HydrophobicContact CG1-CG2 4.49Å; V260-V295 HydrophobicContact CG2-CG2 4.23Å; V260-L334 HydrophobicContact CG2-CD2 4.04Å
261	L	97.9	Very high	93.7	Very high	60 Å²	60	53.9 Å²	53.9	31%	0.314	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-23.5	-168.2	-66.2	172.7	0	0	0	113.3	G248 R250 T259 L292	G248-L261 PolarHBondContact O-N 3.24Å; R250-L261 HydrophobicContact CG-CD1 4.02Å; T259-L261 HydrophobicContact CG2-CD2 3.56Å; T259-L261 HydrophobicContact CG2-CG 3.9Å; L261-L292 HydrophobicContact CB-CD2 4.41Å; L261-L292 HydrophobicContact CD1-CD2 3.84Å
262	R	97.6	Very high	93.2	Very high	54 Å²	54	54.7 Å²	54.7	20%	0.204	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	143.8	-178.1	-66.3	-64.9	-178.1	154.9	4.9	111.3	G248 F264 L292 T385 D387	G248-R262 PolarHBondContact N-O 3.43Å; G248-R262 PolarHBondContact O-N 2.99Å; R262-F264 HydrophobicContact CB-CD2 4.42Å; R262-F264 HydrophobicContact CB-CE2 3.68Å; R262-F264 HydrophobicContact CB-CZ 3.95Å; R262-L292 HydrophobicContact CB-CD1 4.1Å; R262-L292 HydrophobicContact CG-CD1 3.65Å; R262-T385 PolarHBondContact NH1-OG1 3.11Å; R262-D387 IonicContact CZ-OD2 3.39Å; R262-D387 IonicContact NH1-OD2 3.68Å; R262-D387 PolarHBondContact NH1-OD2 3.44Å; R262-D387 IonicContact NH2-OD2 3.04Å; R262-D387 PolarHBondContact NH2-OD2 3.17Å
263	A	98.3	Very high	92.4	Very high	6 Å²	6	61.9 Å²	61.9	5%	0.05	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.1	162.7	0	0	0	0	0	109.2	V228 L231 L247 Y298	V228-A263 HydrophobicContact CG1-CB 4.04Å; L231-A263 HydrophobicContact CD2-CB 4.25Å; L247-A263 HydrophobicContact CD2-CB 4.37Å; A263-Y298 HydrophobicContact CB-CE1 4.26Å
264	F	98.1	Very high	91.9	Very high	13 Å²	13	64.4 Å²	64.4	6%	0.057	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	90.1	175.3	-64.8	-85.2	0	0	0	108.4	G245 Y246 R262 C266 I283 N286 L287	G245-F264 CarbonylContact C-O 3.57Å; G245-F264 VanDerWaalsContact CA-O 3.24Å; G245-F264 WeakPolarHBondContact CA-O 3.38Å; Y246-F264 PolarHBondContact N-O 2.8Å; Y246-F264 PolarHBondContact O-N 3.31Å; R262-F264 HydrophobicContact CB-CD2 4.42Å; R262-F264 HydrophobicContact CB-CE2 3.68Å; R262-F264 HydrophobicContact CB-CZ 3.95Å; F264-C266 PolarHBondContact O-N 3.11Å; F264-I283 HydrophobicContact CB-CD1 4.03Å; F264-I283 HydrophobicContact CB-CG1 4.08Å; F264-I283 HydrophobicContact CB-CG2 3.86Å; F264-I283 HydrophobicContact CD1-CG2 4.32Å; F264-I283 HydrophobicContact CD2-CG2 4.42Å; F264-I283 HydrophobicContact CG-CG2 3.95Å; F264-N286 HydrophobicContact CD1-CB 4.42Å; F264-N286 HydrophobicContact CE1-CB 3.79Å; F264-L287 HydrophobicContact CD2-CD2 4.28Å; F264-L287 HydrophobicContact CE2-CD2 3.54Å; F264-L287 HydrophobicContact CE2-CG 4.14Å; F264-L287 HydrophobicContact CZ-CD2 4.02Å; F264-L287 HydrophobicContact CZ-CG 4.35Å
265	P	98.1	Very high	91.6	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.019	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	127.7	175.7	-25.6	36.3	0	0	0	111.7	L231 R267 L395	L231-P265 HydrophobicContact CD1-CG 4.29Å; L231-P265 HydrophobicContact CD2-CG 4.1Å; L231-P265 HydrophobicContact CG-CG 4.02Å; P265-R267 PolarHBondContact O-N 3.49Å; P265-L395 HydrophobicContact CB-CD1 4.02Å; P265-L395 HydrophobicContact CB-CD2 3.73Å; P265-L395 HydrophobicContact CB-CG 4.22Å; P265-L395 HydrophobicContact CG-CD1 3.84Å; P265-L395 HydrophobicContact CG-CD2 4.43Å; P265-L395 HydrophobicContact CG-CG 4.4Å
266	C	96.7	Very high	91.4	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.061	30%	0.298	C	S	.	.			trans	-80.5	106.8	174.7	-66	0	0	0	0	109.8	V244 F264 T268 V279	V244-C266 HydrophobicContact CG2-CB 3.92Å; V244-C266 VanDerWaalsContact O-CB 3.26Å; V244-C266 WeakPolarHBondContact O-CB 3.1Å; V244-C266 PolarHBondContact O-N 2.91Å; F264-C266 PolarHBondContact O-N 3.11Å; C266-T268 HydrophobicContact CB-CG2 4.19Å; C266-T268 PolarHBondContact O-N 2.88Å; C266-V279 HydrophobicContact CB-CG1 4.3Å
267	R	94.1	Very high	91.2	Very high	45 Å²	45	56.3 Å²	56.3	17%	0.17	30%	0.299	C	S	.	.			trans	-79.5	55.5	174.5	-67	176.8	-70.8	-90.1	2.7	111.8	P265 E282 E391 L395 Y398	P265-R267 PolarHBondContact O-N 3.49Å; R267-E282 IonicContact NH2-OE1 2.72Å; R267-E282 PolarHBondContact NH2-OE1 3.32Å; R267-E391 IonicContact CZ-OE2 2.76Å; R267-E391 IonicContact NH1-OE2 2.95Å; R267-E391 PolarHBondContact NH1-OE2 2.93Å; R267-L395 HydrophobicContact CG-CD2 4.1Å; R267-Y398 HydrophobicContact CB-CD1 4.26Å; R267-Y398 HydrophobicContact CB-CD2 3.85Å; R267-Y398 HydrophobicContact CB-CE1 4.41Å; R267-Y398 HydrophobicContact CB-CE2 4.02Å; R267-Y398 HydrophobicContact CB-CG 3.98Å; R267-Y398 HydrophobicContact CG-CD1 4.31Å; R267-Y398 HydrophobicContact CG-CD2 4.42Å; R267-Y398 HydrophobicContact CG-CG 4.08Å; R267-Y398 WeakPolarHBondContact O-CE2 3.41Å
268	T	91.9	Very high	91	Very high	22 Å²	22	56.5 Å²	56.5	14%	0.135	31%	0.308	C	S	.	.	S	Bend	trans	-142.3	160.9	176	-178.8	0	0	0	0	110.4	C266 T275 A276 V279 Y398	C266-T268 HydrophobicContact CB-CG2 4.19Å; C266-T268 PolarHBondContact O-N 2.88Å; T268-T275 PolarHBondContact OG1-OG1 2.89Å; T268-A276 HydrophobicContact CG2-CB 4.35Å; T268-V279 HydrophobicContact CG2-CG2 4.5Å; T268-Y398 VanDerWaalsContact CA-OH 3.23Å; T268-Y398 WeakPolarHBondContact CA-OH 3.34Å; T268-Y398 PolarHBondContact N-OH 3.15Å; T268-Y398 PolarHBondContact O-OH 2.81Å
269	R	86.8	Confident	90.8	Very high	83 Å²	83	57.4 Å²	57.4	31%	0.313	31%	0.314	S	S	.	.			trans	-89.4	142.3	174.1	-61.4	-60.1	-171.3	156.9	5	109	A271 D272 D404	R269-A271 PolarHBondContact O-N 3.21Å; R269-D272 HydrophobicContact CB-CB 4.3Å; R269-D272 PolarHBondContact O-N 3.22Å; R269-D404 IonicContact CZ-OD1 3.75Å; R269-D404 VanDerWaalsContact CZ-OD1 3.31Å; R269-D404 IonicContact CZ-OD2 3.81Å; R269-D404 IonicContact NH1-OD1 3.47Å; R269-D404 PolarHBondContact NH1-OD1 3.16Å; R269-D404 IonicContact NH1-OD2 3.02Å; R269-D404 PolarHBondContact NH1-OD2 3.09Å; R269-D404 IonicContact NH2-OD1 3.9Å; R269-D404 PolarHBondContact NH2-OD1 2.93Å; R269-D404 IonicContact NH2-OD2 2.7Å
270	L	78.4	Confident	90.5	Very high	115 Å²	115	60.1 Å²	60.1	60%	0.602	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-26	-178.5	-69.1	172	0	0	0	114.5	E242 V244	E242-L270 HydrophobicContact CB-CD1 4.4Å; V244-L270 HydrophobicContact CG1-CD2 3.86Å; V244-L270 HydrophobicContact CG2-CD2 4.06Å
271	A	78.4	Confident	90.3	Very high	99 Å²	99	66.9 Å²	66.9	82%	0.818	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-13.9	178.4	0	0	0	0	0	114.1	R269 R273	R269-A271 PolarHBondContact O-N 3.21Å; A271-R273 PolarHBondContact O-N 3.11Å
272	D	83.8	Confident	90.2	Very high	61 Å²	61	68.2 Å²	68.2	33%	0.326	36%	0.36	S	S	.	.			trans	-94.2	85.3	-172.9	-174	-2.8	0	0	0	111.2	R269 D274 T275 A276	R269-D272 HydrophobicContact CB-CB 4.3Å; R269-D272 PolarHBondContact O-N 3.22Å; D272-D274 VanDerWaalsContact C-N 3.29Å; D272-D274 PolarHBondContact O-N 2.92Å; D272-D274 PolarHBondContact OD1-N 3.21Å; D272-T275 PolarHBondContact O-OG1 2.89Å; D272-T275 PolarHBondContact OD1-N 3.31Å; D272-T275 PolarHBondContact OD1-OG1 3.42Å; D272-T275 WeakPolarHBondContact OD2-CB 3.33Å; D272-T275 WeakPolarHBondContact OD2-CG2 3.04Å; D272-T275 PolarHBondContact OD2-OG1 3.16Å; D272-A276 VanDerWaalsContact O-CB 3.32Å; D272-A276 WeakPolarHBondContact O-CB 3.48Å; D272-A276 PolarHBondContact O-N 3.3Å; D272-A276 VanDerWaalsContact O-N 3.13Å
273	R	78.3	Confident	90.1	Very high	214 Å²	214	66.2 Å²	66.2	81%	0.808	35%	0.353	S	S	*	.	H	α-helix	trans	-70.5	-24.9	-177.1	-67.6	-172.3	170.6	-158.3	-4	113.8	A271	A271-R273 PolarHBondContact O-N 3.11Å
274	D	80.4	Confident	90	Very high	146 Å²	146	69.9 Å²	69.9	78%	0.781	38%	0.377	S	S	*	.	H	α-helix	trans	-75	-44.1	-176.8	-65.7	-31.9	0	0	0	110	D272	D272-D274 VanDerWaalsContact C-N 3.29Å; D272-D274 PolarHBondContact O-N 2.92Å; D272-D274 PolarHBondContact OD1-N 3.21Å
275	T	85.9	Confident	89.9	Confident	58 Å²	58	74.2 Å²	74.2	36%	0.356	40%	0.398	S	S	.	.	H	α-helix	trans	-75.5	-29.6	175.2	64.1	0	0	0	0	112.7	T268 D272 S277 A278 V279	T268-T275 PolarHBondContact OG1-OG1 2.89Å; D272-T275 PolarHBondContact O-OG1 2.89Å; D272-T275 PolarHBondContact OD1-N 3.31Å; D272-T275 PolarHBondContact OD1-OG1 3.42Å; D272-T275 WeakPolarHBondContact OD2-CB 3.33Å; D272-T275 WeakPolarHBondContact OD2-CG2 3.04Å; D272-T275 PolarHBondContact OD2-OG1 3.16Å; T275-S277 VanDerWaalsContact C-N 3.31Å; T275-S277 PolarHBondContact O-N 3.43Å; T275-A278 PolarHBondContact O-N 3.33Å; T275-A278 VanDerWaalsContact O-N 3.13Å; T275-V279 WeakPolarHBondContact O-CG2 3.3Å; T275-V279 PolarHBondContact O-N 3.5Å
276	A	89.1	Confident	89.7	Confident	27 Å²	27	76.3 Å²	76.3	22%	0.223	41%	0.409	C	S	.	.	H	α-helix	trans	-55.8	-43	178.4	0	0	0	0	0	112.8	T268 D272 A278 V279 E280	T268-A276 HydrophobicContact CG2-CB 4.35Å; D272-A276 VanDerWaalsContact O-CB 3.32Å; D272-A276 WeakPolarHBondContact O-CB 3.48Å; D272-A276 PolarHBondContact O-N 3.3Å; D272-A276 VanDerWaalsContact O-N 3.13Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.92Å; A276-V279 PolarHBondContact O-N 3.39Å; A276-E280 WeakPolarHBondContact O-CG 3.39Å; A276-E280 PolarHBondContact O-N 2.89Å
277	S	89.5	Confident	89.7	Confident	74 Å²	74	76.5 Å²	76.5	52%	0.517	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-37.4	179.2	-172.7	0	0	0	0	112.6	T275 E281	T275-S277 VanDerWaalsContact C-N 3.31Å; T275-S277 PolarHBondContact O-N 3.43Å; S277-E281 PolarHBondContact O-N 3.38Å; S277-E281 VanDerWaalsContact O-N 3.09Å
278	A	91.9	Very high	89.7	Confident	58 Å²	58	81.1 Å²	81.1	48%	0.479	43%	0.431	S	S	.	.	H	α-helix	trans	-70.1	-41	178.3	0	0	0	0	0	111.4	T275 A276 E281 E282	T275-A278 PolarHBondContact O-N 3.33Å; T275-A278 VanDerWaalsContact O-N 3.13Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.92Å; A278-E281 PolarHBondContact O-N 3.31Å; A278-E282 PolarHBondContact O-N 3.17Å
279	V	93.9	Very high	89.8	Confident	19 Å²	19	86.7 Å²	86.7	12%	0.115	46%	0.457	C	S	.	.	H	α-helix	trans	-62.7	-42.2	175	172.9	0	0	0	0	110.9	C266 T268 T275 A276 E281 E282 I283	C266-V279 HydrophobicContact CB-CG1 4.3Å; T268-V279 HydrophobicContact CG2-CG2 4.5Å; T275-V279 WeakPolarHBondContact O-CG2 3.3Å; T275-V279 PolarHBondContact O-N 3.5Å; A276-V279 PolarHBondContact O-N 3.39Å; V279-E281 PolarHBondContact O-N 3.01Å; V279-E282 PolarHBondContact O-N 2.9Å; V279-I283 HydrophobicContact CG1-CD1 3.86Å; V279-I283 HydrophobicContact CG1-CG1 4.5Å; V279-I283 VanDerWaalsContact O-CG1 3.26Å; V279-I283 WeakPolarHBondContact O-CG1 3.44Å; V279-I283 PolarHBondContact O-N 3.05Å
280	E	93.6	Very high	90.2	Very high	96 Å²	96	86.9 Å²	86.9	45%	0.449	46%	0.458	S	S	.	.	H	α-helix	trans	-63.5	-40.2	176.2	-75.2	-175.1	166.3	0	0	112.7	Y246 A276 I283 C284	Y246-E280 HydrophobicContact CE2-CG 3.98Å; Y246-E280 PolarHBondContact OH-OE1 3.21Å; A276-E280 WeakPolarHBondContact O-CG 3.39Å; A276-E280 PolarHBondContact O-N 2.89Å; E280-I283 PolarHBondContact O-N 2.89Å; E280-C284 WeakPolarHBondContact O-CB 3.31Å; E280-C284 PolarHBondContact O-N 2.81Å
281	E	93.5	Very high	91	Very high	143 Å²	143	83.6 Å²	83.6	67%	0.668	45%	0.451	S	S	*	.	H	α-helix	trans	-65.1	-43	175.9	-171.7	170.3	-165.8	0	0	111.6	S277 A278 V279 I283 C284 Q285	S277-E281 PolarHBondContact O-N 3.38Å; S277-E281 VanDerWaalsContact O-N 3.09Å; A278-E281 PolarHBondContact O-N 3.31Å; V279-E281 PolarHBondContact O-N 3.01Å; E281-I283 PolarHBondContact O-N 3.5Å; E281-C284 PolarHBondContact O-N 3.09Å; E281-Q285 PolarHBondContact O-N 3.32Å
282	E	95.4	Very high	91.8	Very high	87 Å²	87	79.9 Å²	79.9	41%	0.407	42%	0.418	S	S	.	.	H	α-helix	trans	-59	-45.4	174.2	-175	-169.7	150.6	0	0	111.5	R267 A278 V279 Q285 N286	R267-E282 IonicContact NH2-OE1 2.72Å; R267-E282 PolarHBondContact NH2-OE1 3.32Å; A278-E282 PolarHBondContact O-N 3.17Å; V279-E282 PolarHBondContact O-N 2.9Å; E282-Q285 PolarHBondContact O-N 2.93Å; E282-N286 WeakPolarHBondContact O-CB 3.43Å; E282-N286 PolarHBondContact O-N 3.03Å; E282-N286 PolarHBondContact O-ND2 3.31Å
283	I	96.4	Very high	92.4	Very high	12 Å²	12	79.8 Å²	79.8	6%	0.062	42%	0.422	C	S	.	.	H	α-helix	trans	-66	-41.3	178.4	-68.7	172.2	0	0	0	110.6	Y246 F264 V279 E280 E281 Q285 N286 L287	Y246-I283 HydrophobicContact CD2-CD1 3.79Å; Y246-I283 HydrophobicContact CD2-CG2 4.12Å; Y246-I283 HydrophobicContact CE2-CD1 4.46Å; F264-I283 HydrophobicContact CB-CD1 4.03Å; F264-I283 HydrophobicContact CB-CG1 4.08Å; F264-I283 HydrophobicContact CB-CG2 3.86Å; F264-I283 HydrophobicContact CD1-CG2 4.32Å; F264-I283 HydrophobicContact CD2-CG2 4.42Å; F264-I283 HydrophobicContact CG-CG2 3.95Å; V279-I283 HydrophobicContact CG1-CD1 3.86Å; V279-I283 HydrophobicContact CG1-CG1 4.5Å; V279-I283 VanDerWaalsContact O-CG1 3.26Å; V279-I283 WeakPolarHBondContact O-CG1 3.44Å; V279-I283 PolarHBondContact O-N 3.05Å; E280-I283 PolarHBondContact O-N 2.89Å; E281-I283 PolarHBondContact O-N 3.5Å; I283-Q285 VanDerWaalsContact C-N 3.35Å; I283-Q285 PolarHBondContact O-N 3.32Å; I283-N286 PolarHBondContact O-N 3.4Å; I283-L287 HydrophobicContact CG2-CD1 4.2Å; I283-L287 WeakPolarHBondContact O-CG 3.49Å; I283-L287 PolarHBondContact O-N 2.88Å
284	C	95.7	Very high	93.3	Very high	83 Å²	83	72.2 Å²	72.2	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-60.5	-44.8	176.2	-169	0	0	0	0	111.6	E280 E281 N286 L287 F288	E280-C284 WeakPolarHBondContact O-CB 3.31Å; E280-C284 PolarHBondContact O-N 2.81Å; E281-C284 PolarHBondContact O-N 3.09Å; C284-N286 PolarHBondContact O-N 3.13Å; C284-L287 PolarHBondContact O-N 3.19Å; C284-F288 PolarHBondContact O-N 3.47Å
285	Q	95.4	Very high	94.1	Very high	105 Å²	105	65.2 Å²	65.2	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.7	-173.1	61.4	44.7	0	0	111.4	E281 E282 I283 F288 M289	E281-Q285 PolarHBondContact O-N 3.32Å; E282-Q285 PolarHBondContact O-N 2.93Å; I283-Q285 VanDerWaalsContact C-N 3.35Å; I283-Q285 PolarHBondContact O-N 3.32Å; Q285-F288 PolarHBondContact O-N 3.39Å; Q285-M289 HydrophobicContact CG-CG 4.33Å; Q285-M289 WeakPolarHBondContact O-CB 3.48Å; Q285-M289 VanDerWaalsContact O-CG 3.24Å; Q285-M289 WeakPolarHBondContact O-CG 3.49Å; Q285-M289 PolarHBondContact O-N 3.01Å
286	N	95.2	Very high	94.6	Very high	46 Å²	46	62.6 Å²	62.6	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-42.9	177	-91	-82	0	0	0	112.8	F264 E282 I283 C284 F288 R290	F264-N286 HydrophobicContact CD1-CB 4.42Å; F264-N286 HydrophobicContact CE1-CB 3.79Å; E282-N286 WeakPolarHBondContact O-CB 3.43Å; E282-N286 PolarHBondContact O-N 3.03Å; E282-N286 PolarHBondContact O-ND2 3.31Å; I283-N286 PolarHBondContact O-N 3.4Å; C284-N286 PolarHBondContact O-N 3.13Å; N286-F288 VanDerWaalsContact C-N 3.34Å; N286-R290 WeakPolarHBondContact O-CB 3.2Å; N286-R290 WeakPolarHBondContact O-CG 3.24Å; N286-R290 PolarHBondContact O-N 2.74Å
287	L	96.1	Very high	95.1	Very high	14 Å²	14	62.2 Å²	62.2	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-48.7	173.6	-75.6	167.4	0	0	0	110.7	F264 I283 C284 R290 G291 L292 L294	F264-L287 HydrophobicContact CD2-CD2 4.28Å; F264-L287 HydrophobicContact CE2-CD2 3.54Å; F264-L287 HydrophobicContact CE2-CG 4.14Å; F264-L287 HydrophobicContact CZ-CD2 4.02Å; F264-L287 HydrophobicContact CZ-CG 4.35Å; I283-L287 HydrophobicContact CG2-CD1 4.2Å; I283-L287 WeakPolarHBondContact O-CG 3.49Å; I283-L287 PolarHBondContact O-N 2.88Å; C284-L287 PolarHBondContact O-N 3.19Å; L287-R290 PolarHBondContact O-N 3.26Å; L287-G291 PolarHBondContact O-N 2.85Å; L287-G291 VanDerWaalsContact O-N 3.12Å; L287-L292 HydrophobicContact CD2-CB 3.81Å; L287-L292 PolarHBondContact O-N 3.05Å; L287-L294 HydrophobicContact CD1-CB 4.09Å; L287-L294 HydrophobicContact CD1-CD1 4.4Å
288	F	94.5	Very high	95.5	Very high	142 Å²	142	58.7 Å²	58.7	62%	0.623	31%	0.312	S	S	*	.	H	α-helix	trans	-60.4	-50.6	179.6	178	-99.3	0	0	0	112.4	C284 Q285 N286 R290 G291	C284-F288 PolarHBondContact O-N 3.47Å; Q285-F288 PolarHBondContact O-N 3.39Å; N286-F288 VanDerWaalsContact C-N 3.34Å; F288-R290 PolarHBondContact O-N 3.45Å; F288-G291 PolarHBondContact O-N 2.89Å
289	M	94.5	Very high	95.8	Very high	139 Å²	139	56.1 Å²	56.1	69%	0.685	29%	0.29	S	S	*	.	H	α-helix	trans	-61	-27.7	-179.2	-69.7	-64.1	-69.9	0	0	112.8	Q285	Q285-M289 HydrophobicContact CG-CG 4.33Å; Q285-M289 WeakPolarHBondContact O-CB 3.48Å; Q285-M289 VanDerWaalsContact O-CG 3.24Å; Q285-M289 WeakPolarHBondContact O-CG 3.49Å; Q285-M289 PolarHBondContact O-N 3.01Å
290	R	93.4	Very high	96	Very high	87 Å²	87	55.2 Å²	55.2	33%	0.328	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	0.3	178.8	-66	171.7	176.2	-90	2.2	113.2	N286 L287 F288 L292 D387	N286-R290 WeakPolarHBondContact O-CB 3.2Å; N286-R290 WeakPolarHBondContact O-CG 3.24Å; N286-R290 PolarHBondContact O-N 2.74Å; L287-R290 PolarHBondContact O-N 3.26Å; F288-R290 PolarHBondContact O-N 3.45Å; R290-L292 HydrophobicContact CB-CD1 4Å; R290-L292 HydrophobicContact CB-CG 3.97Å; R290-L292 PolarHBondContact O-N 2.94Å; R290-D387 IonicContact CZ-OD1 3.5Å; R290-D387 IonicContact CZ-OD2 3.21Å; R290-D387 IonicContact NH1-OD1 2.78Å; R290-D387 IonicContact NH1-OD2 3.5Å; R290-D387 PolarHBondContact NH1-OD2 3.23Å; R290-D387 IonicContact NH2-OD1 3.3Å; R290-D387 PolarHBondContact NH2-OD1 2.98Å; R290-D387 IonicContact NH2-OD2 3.49Å; R290-D387 PolarHBondContact NH2-OD2 3.31Å
291	G	95.4	Very high	96.2	Very high	45 Å²	45	51.1 Å²	51.1	46%	0.464	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	36.1	-175.8	0	0	0	0	0	112.6	R250 L287 F288	R250-G291 PolarHBondContact NH1-O 3.01Å; R250-G291 PolarHBondContact NH2-O 3.44Å; L287-G291 PolarHBondContact O-N 2.85Å; L287-G291 VanDerWaalsContact O-N 3.12Å; F288-G291 PolarHBondContact O-N 2.89Å
292	L	96.3	Very high	96.3	Very high	21 Å²	21	44.8 Å²	44.8	11%	0.11	24%	0.237	C	C	.	.			trans	-104.4	151.8	176.8	-64.7	177	0	0	0	110	L261 R262 L287 R290	L261-L292 HydrophobicContact CB-CD2 4.41Å; L261-L292 HydrophobicContact CD1-CD2 3.84Å; R262-L292 HydrophobicContact CB-CD1 4.1Å; R262-L292 HydrophobicContact CG-CD1 3.65Å; L287-L292 HydrophobicContact CD2-CB 3.81Å; L287-L292 PolarHBondContact O-N 3.05Å; R290-L292 HydrophobicContact CB-CD1 4Å; R290-L292 HydrophobicContact CB-CG 3.97Å; R290-L292 PolarHBondContact O-N 2.94Å
293	S	95.3	Very high	96.2	Very high	59 Å²	59	47.1 Å²	47.1	41%	0.413	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	151.4	170.6	-61.7	0	0	0	0	110.1	G248 G249 V295	G248-S293 WeakPolarHBondContact CA-O 3.26Å; G249-S293 PolarHBondContact N-O 3.14Å; G249-S293 PolarHBondContact O-N 3.1Å; S293-V295 PolarHBondContact O-N 3.13Å
294	L	96.9	Very high	96.1	Very high	55 Å²	55	47.7 Å²	47.7	29%	0.288	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	123.2	163.9	-178.5	66.5	0	0	0	108.5	Y246 L287 G296 L323 Q331	Y246-L294 HydrophobicContact CD1-CD1 3.74Å; Y246-L294 HydrophobicContact CG-CD1 4.08Å; L287-L294 HydrophobicContact CD1-CB 4.09Å; L287-L294 HydrophobicContact CD1-CD1 4.4Å; L294-G296 WeakPolarHBondContact CD1-O 3.37Å; L294-L323 HydrophobicContact CB-CD2 4.31Å; L294-L323 HydrophobicContact CD2-CD2 4.34Å; L294-L323 HydrophobicContact CG-CD2 4.34Å; L294-L323 WeakPolarHBondContact O-CD2 3.48Å; L294-Q331 PolarHBondContact O-NE2 3.38Å
295	V	97.5	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-5.3	-175.7	-66.7	0	0	0	0	113.3	L247 L258 V260 S293 C333 L334	L247-V295 HydrophobicContact CB-CG2 4.15Å; L247-V295 VanDerWaalsContact O-CG2 3.29Å; L247-V295 WeakPolarHBondContact O-CG2 3.32Å; L247-V295 PolarHBondContact O-N 2.92Å; L258-V295 HydrophobicContact CD1-CB 3.65Å; L258-V295 HydrophobicContact CD1-CG1 3.56Å; L258-V295 HydrophobicContact CD2-CB 4.47Å; L258-V295 HydrophobicContact CG-CB 4.34Å; V260-V295 HydrophobicContact CG1-CG2 4.49Å; V260-V295 HydrophobicContact CG2-CG2 4.23Å; S293-V295 PolarHBondContact O-N 3.13Å; V295-C333 WeakPolarHBondContact O-CA 3.47Å; V295-L334 PolarHBondContact O-N 3.06Å
296	G	98.1	Very high	96.2	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	-169.6	-178	0	0	0	0	0	113.4	L247 L294 L334	L247-G296 PolarHBondContact N-O 2.73Å; L247-G296 PolarHBondContact O-N 2.81Å; L294-G296 WeakPolarHBondContact CD1-O 3.37Å; G296-L334 CarbonylContact C-O 3.54Å; G296-L334 WeakPolarHBondContact CA-O 3.43Å
297	W	98.6	Very high	96.3	Very high	20 Å²	20	39.1 Å²	39.1	8%	0.076	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	164	179.2	64.8	-71.1	0	0	0	109.5	G245 Y246 H299 D312 Q316 H319 L334 I336 F355	G245-W297 CarbonylContact O-C 3.58Å; G245-W297 VanDerWaalsContact O-CA 3.29Å; G245-W297 WeakPolarHBondContact O-CA 3.44Å; Y246-W297 HydrophobicContact CD1-CB 4.27Å; W297-H299 AromaticContact CH2-ND1 3.72Å; W297-H299 HydrophobicContact CZ3-CB 4.13Å; W297-H299 AromaticContact CZ3-CG 3.94Å; W297-H299 AromaticContact CZ3-ND1 3.31Å; W297-H299 VanDerWaalsContact CZ3-ND1 3.31Å; W297-H299 WeakPolarHBondContact CZ3-ND1 3.47Å; W297-D312 HydrophobicContact CH2-CB 4.49Å; W297-Q316 HydrophobicContact CZ2-CB 4.26Å; W297-H319 AromaticContact CD1-CD2 3.85Å; W297-H319 AromaticContact CE2-CD2 3.87Å; W297-H319 AromaticContact NE1-CD2 3.57Å; W297-L334 PolarHBondContact N-O 3.03Å; W297-I336 PolarHBondContact O-N 2.89Å; W297-F355 HydrophobicContact CZ2-CZ 4.06Å
298	Y	98.8	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	157	171.4	75.3	-87.5	0	0	0	111.4	M232 H235 V244 G245 L247 A263 I336	M232-Y298 HydrophobicContact CB-CE2 4.37Å; M232-Y298 HydrophobicContact CG-CD1 4.2Å; M232-Y298 HydrophobicContact CG-CD2 3.48Å; M232-Y298 VanDerWaalsContact CG-CD2 3.48Å; M232-Y298 HydrophobicContact CG-CE1 4.29Å; M232-Y298 HydrophobicContact CG-CE2 3.59Å; M232-Y298 HydrophobicContact CG-CG 3.77Å; M232-Y298 HydrophobicContact SD-CD1 4.3Å; M232-Y298 HydrophobicContact SD-CD2 3.99Å; M232-Y298 HydrophobicContact SD-CG 3.77Å; H235-Y298 AromaticContact ND1-CE2 3.77Å; H235-Y298 AromaticContact ND1-CZ 3.64Å; H235-Y298 PolarHBondContact ND1-OH 3.19Å; V244-Y298 CarbonylContact C-O 3.6Å; V244-Y298 WeakPolarHBondContact CA-O 3.45Å; G245-Y298 PolarHBondContact N-O 2.58Å; G245-Y298 WeakPolarHBondContact O-CD1 3.29Å; G245-Y298 PolarHBondContact O-N 2.96Å; L247-Y298 HydrophobicContact CD2-CD1 3.9Å; L247-Y298 HydrophobicContact CG-CD1 4.44Å; A263-Y298 HydrophobicContact CB-CE1 4.26Å; Y298-I336 CarbonylContact C-O 3.39Å; Y298-I336 WeakPolarHBondContact CA-O 3.34Å; Y298-I336 WeakPolarHBondContact CB-O 3.05Å
299	H	98.3	Very high	96.5	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	172.2	164.9	77.7	-71.3	0	0	0	111.8	V243 V244 W297 H301 D312 I336 I337 C338	V243-H299 CarbonylContact O-C 3.55Å; V243-H299 WeakPolarHBondContact O-CA 3.33Å; V243-H299 WeakPolarHBondContact O-CB 3.42Å; V244-H299 HydrophobicContact CG1-CB 3.81Å; W297-H299 AromaticContact CH2-ND1 3.72Å; W297-H299 HydrophobicContact CZ3-CB 4.13Å; W297-H299 AromaticContact CZ3-CG 3.94Å; W297-H299 AromaticContact CZ3-ND1 3.31Å; W297-H299 VanDerWaalsContact CZ3-ND1 3.31Å; W297-H299 WeakPolarHBondContact CZ3-ND1 3.47Å; H299-H301 AromaticContact CD2-CD2 3.76Å; H299-H301 AromaticContact CD2-NE2 3.77Å; H299-H301 AromaticContact NE2-CD2 3.46Å; H299-H301 PolarHBondContact NE2-CD2 3.21Å; H299-H301 AromaticContact NE2-CE1 3.92Å; H299-H301 AromaticContact NE2-NE2 3.01Å; H299-H301 PolarHBondContact NE2-NE2 3.43Å; H299-D312 VanDerWaalsContact CE1-CG 3.49Å; H299-D312 IonicContact CE1-OD1 3.84Å; H299-D312 PolarHBondContact CE1-OD1 3.21Å; H299-D312 VanDerWaalsContact CE1-OD1 3.32Å; H299-D312 IonicContact CE1-OD2 3.8Å; H299-D312 IonicContact NE2-OD1 3.13Å; H299-D312 PolarHBondContact NE2-OD1 3Å; H299-D312 IonicContact NE2-OD2 2.73Å; H299-I336 PolarHBondContact N-O 3.04Å; H299-I337 VanDerWaalsContact CE1-CG1 3.47Å; H299-I337 WeakPolarHBondContact CE1-CG1 3.2Å; H299-I337 WeakPolarHBondContact O-CA 3.32Å; H299-C338 PolarHBondContact O-N 2.96Å
300	S	98.2	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.5	177.7	70	0	0	0	0	112.8	E242 V243 C338	E242-S300 WeakPolarHBondContact CA-OG 3.27Å; E242-S300 WeakPolarHBondContact CB-O 3.49Å; E242-S300 VanDerWaalsContact CG-O 3.25Å; E242-S300 WeakPolarHBondContact CG-O 3.48Å; V243-S300 PolarHBondContact N-OG 2.82Å; V243-S300 PolarHBondContact O-N 3.42Å; S300-C338 CarbonylContact C-O 3.56Å; S300-C338 WeakPolarHBondContact CA-O 3.46Å
301	H	97.1	Very high	96.7	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.046	15%	0.145	C	C	.	.			trans	-113.7	86.4	158.2	-71.3	174.1	0	0	0	107.6	E242 H299 R303 G304 P305 L307 D312 I337 C338 G339	E242-H301 IonicContact OE1-CD2 2.82Å; H299-H301 AromaticContact CD2-CD2 3.76Å; H299-H301 AromaticContact CD2-NE2 3.77Å; H299-H301 AromaticContact NE2-CD2 3.46Å; H299-H301 PolarHBondContact NE2-CD2 3.21Å; H299-H301 AromaticContact NE2-CE1 3.92Å; H299-H301 AromaticContact NE2-NE2 3.01Å; H299-H301 PolarHBondContact NE2-NE2 3.43Å; H301-R303 VanDerWaalsContact C-N 3.28Å; H301-R303 PolarHBondContact O-N 2.98Å; H301-G304 PolarHBondContact O-N 3.08Å; H301-P305 PolarHBondContact ND1-O 2.93Å; H301-L307 PolarHBondContact CE1-O 2.88Å; H301-L307 PolarHBondContact ND1-O 2.83Å; H301-D312 IonicContact CE1-OD2 2.61Å; H301-D312 IonicContact NE2-OD2 3.54Å; H301-I337 HydrophobicContact CB-CG2 4.43Å; H301-C338 PolarHBondContact N-O 3.47Å; H301-G339 WeakPolarHBondContact O-CA 3.45Å
302	P	95.4	Very high	96.9	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.058	13%	0.127	C	C	.	.	S	Bend	trans	-51.2	-42	-165.9	-31.1	35.3	0	0	0	114.9	S241 Y341	S241-P302 VanDerWaalsContact O-CG 3.28Å; S241-P302 WeakPolarHBondContact O-CG 3.21Å; P302-Y341 CarbonylContact O-C 3.49Å; P302-Y341 VanDerWaalsContact O-CA 3.27Å; P302-Y341 WeakPolarHBondContact O-CA 3.42Å; P302-Y341 WeakPolarHBondContact O-CB 3.28Å; P302-Y341 PolarHBondContact O-N 2.93Å
303	R	93.8	Very high	96.9	Very high	137 Å²	137	23.2 Å²	23.2	52%	0.517	12%	0.121	S	C	.	.	S	Bend	trans	-118.4	-0	179.5	-63	-176.4	-178	153	2.7	113.9	H301 Y342	H301-R303 VanDerWaalsContact C-N 3.28Å; H301-R303 PolarHBondContact O-N 2.98Å; R303-Y342 WeakPolarHBondContact O-CD2 3.27Å
304	G	93.6	Very high	96.9	Very high	23 Å²	23	22.8 Å²	22.8	24%	0.237	11%	0.114	C	C	.	.	S	Bend	trans	-99.9	163.3	-177.9	0	0	0	0	0	111.9	H301 Y342	H301-G304 PolarHBondContact O-N 3.08Å; G304-Y342 WeakPolarHBondContact O-CB 3.5Å
305	P	95.4	Very high	96.9	Very high	15 Å²	15	21.9 Å²	21.9	10%	0.097	11%	0.113	C	C	.	.			trans	-62.6	144.4	172.2	27.2	-31.4	0	0	0	109.9	P187 L205 H301 L307 Y342	P187-P305 HydrophobicContact CG-CG 4.32Å; L205-P305 HydrophobicContact CD1-CG 3.55Å; H301-P305 PolarHBondContact ND1-O 2.93Å; P305-L307 HydrophobicContact CB-CD1 4.3Å; P305-L307 HydrophobicContact CB-CG 4.39Å; P305-L307 PolarHBondContact O-N 3.3Å; P305-Y342 HydrophobicContact CB-CD1 4.25Å; P305-Y342 HydrophobicContact CB-CE1 3.89Å; P305-Y342 HydrophobicContact CB-CE2 4.3Å; P305-Y342 HydrophobicContact CG-CE2 4.49Å
306	A	96.9	Very high	97	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	11%	0.113	C	C	.	.	S	Bend	trans	-76	65.6	177.1	0	0	0	0	0	110.7	I337 T351 T353	A306-I337 HydrophobicContact CB-CB 4.45Å; A306-I337 HydrophobicContact CB-CG2 4.22Å; A306-T351 HydrophobicContact CB-CG2 3.84Å; A306-T351 WeakPolarHBondContact CB-O 3.18Å; A306-T353 WeakPolarHBondContact CB-OG1 3.28Å; A306-T353 WeakPolarHBondContact O-CB 3.47Å; A306-T353 WeakPolarHBondContact O-CG2 3.46Å; A306-T353 PolarHBondContact O-OG1 3.02Å
307	L	97.9	Very high	96.8	Very high	35 Å²	35	23.5 Å²	23.5	18%	0.183	12%	0.12	C	C	.	.			trans	-129.8	146.1	179.3	-68.9	175	0	0	0	109.1	P187 L208 H301 P305	P187-L307 HydrophobicContact CB-CD1 3.74Å; P187-L307 HydrophobicContact CG-CD1 3.55Å; L208-L307 HydrophobicContact CD1-CD2 4.4Å; L208-L307 HydrophobicContact CG-CD2 4.1Å; H301-L307 PolarHBondContact CE1-O 2.88Å; H301-L307 PolarHBondContact ND1-O 2.83Å; P305-L307 HydrophobicContact CB-CD1 4.3Å; P305-L307 HydrophobicContact CB-CG 4.39Å; P305-L307 PolarHBondContact O-N 3.3Å
308	P	98	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.			trans	-71.3	143.2	-178.3	30	-35.5	0	0	0	111.6	V206 L208 D312 I313 I337 F355 P371	V206-P308 PolarHBondContact N-O 3.45Å; L208-P308 HydrophobicContact CD2-CG 3.66Å; P308-D312 HydrophobicContact CB-CB 3.87Å; P308-I313 HydrophobicContact CB-CG1 4.23Å; P308-I313 HydrophobicContact CG-CG1 4.49Å; P308-I337 HydrophobicContact CB-CD1 3.86Å; P308-F355 HydrophobicContact CB-CD2 4.28Å; P308-F355 HydrophobicContact CB-CE2 3.97Å; P308-F355 HydrophobicContact CB-CZ 4.2Å; P308-F355 HydrophobicContact CG-CD2 4.3Å; P308-F355 HydrophobicContact CG-CE2 4.47Å; P308-P371 HydrophobicContact CG-CB 3.92Å; P308-P371 HydrophobicContact CG-CG 4.45Å
309	S	97.3	Very high	96.4	Very high	5 Å²	5	28.2 Å²	28.2	4%	0.035	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-81.5	170.2	163.4	68.7	0	0	0	0	111.9	P202 T204 Q311 D312 I313	P202-S309 WeakPolarHBondContact O-CB 3.36Å; T204-S309 CarbonylContact O-C 3.57Å; T204-S309 VanDerWaalsContact O-CA 3.22Å; T204-S309 WeakPolarHBondContact O-CA 3.28Å; S309-Q311 PolarHBondContact O-N 3.21Å; S309-Q311 PolarHBondContact OG-N 2.83Å; S309-D312 WeakPolarHBondContact CB-OD2 3.26Å; S309-D312 PolarHBondContact N-OD2 2.94Å; S309-D312 PolarHBondContact O-N 2.83Å; S309-D312 VanDerWaalsContact O-N 3.1Å; S309-D312 PolarHBondContact OG-N 3.17Å; S309-D312 VanDerWaalsContact OG-N 3.16Å; S309-D312 PolarHBondContact OG-OD2 2.67Å; S309-I313 WeakPolarHBondContact O-CG1 3.18Å; S309-I313 PolarHBondContact O-N 3.49Å
310	L	96.4	Very high	96.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-37.8	171.1	-64.9	175.8	0	0	0	111.8	L193 R200 P202 T204 V206 I313 D314 Y368	L193-L310 HydrophobicContact CD1-CD2 3.83Å; L193-L310 HydrophobicContact CD2-CD2 4.07Å; R200-L310 HydrophobicContact CB-CD1 4.19Å; P202-L310 PolarHBondContact O-N 3.06Å; T204-L310 PolarHBondContact O-N 2.74Å; V206-L310 HydrophobicContact CG2-CD2 3.76Å; V206-L310 HydrophobicContact CG2-CG 4.31Å; L310-I313 HydrophobicContact CD2-CD1 4.37Å; L310-I313 PolarHBondContact O-N 3.01Å; L310-D314 PolarHBondContact O-N 3.39Å; L310-D314 VanDerWaalsContact O-N 3.14Å; L310-Y368 HydrophobicContact CB-CE1 4.21Å; L310-Y368 HydrophobicContact CD1-CE1 4.4Å; L310-Y368 HydrophobicContact CD1-CE2 4.41Å; L310-Y368 HydrophobicContact CD2-CD1 3.94Å; L310-Y368 HydrophobicContact CD2-CD2 4.15Å; L310-Y368 HydrophobicContact CD2-CE1 3.96Å; L310-Y368 HydrophobicContact CD2-CE2 4.17Å; L310-Y368 HydrophobicContact CD2-CG 4.03Å; L310-Y368 HydrophobicContact CG-CE1 4.43Å
311	Q	96	Very high	95.9	Very high	92 Å²	92	33.7 Å²	33.7	43%	0.43	17%	0.174	S	C	.	.	H	α-helix	trans	-64.2	-39.1	174.3	-178.1	175.9	-6.7	0	0	112.4	P202 S309 D314 S315	P202-Q311 HydrophobicContact CB-CB 4.09Å; P202-Q311 PolarHBondContact O-N 2.83Å; S309-Q311 PolarHBondContact O-N 3.21Å; S309-Q311 PolarHBondContact OG-N 2.83Å; Q311-D314 PolarHBondContact O-N 3.04Å; Q311-S315 WeakPolarHBondContact O-CB 3.09Å; Q311-S315 PolarHBondContact O-N 3.03Å; Q311-S315 PolarHBondContact O-OG 3.33Å
312	D	97.9	Very high	95.5	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.08	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-37.8	177.7	-59.6	-42.5	0	0	0	111.4	W297 H299 H301 P308 S309 D314 S315 Q316 F355	W297-D312 HydrophobicContact CH2-CB 4.49Å; H299-D312 VanDerWaalsContact CE1-CG 3.49Å; H299-D312 IonicContact CE1-OD1 3.84Å; H299-D312 PolarHBondContact CE1-OD1 3.21Å; H299-D312 VanDerWaalsContact CE1-OD1 3.32Å; H299-D312 IonicContact CE1-OD2 3.8Å; H299-D312 IonicContact NE2-OD1 3.13Å; H299-D312 PolarHBondContact NE2-OD1 3Å; H299-D312 IonicContact NE2-OD2 2.73Å; H301-D312 IonicContact CE1-OD2 2.61Å; H301-D312 IonicContact NE2-OD2 3.54Å; P308-D312 HydrophobicContact CB-CB 3.87Å; S309-D312 WeakPolarHBondContact CB-OD2 3.26Å; S309-D312 PolarHBondContact N-OD2 2.94Å; S309-D312 PolarHBondContact O-N 2.83Å; S309-D312 VanDerWaalsContact O-N 3.1Å; S309-D312 PolarHBondContact OG-N 3.17Å; S309-D312 VanDerWaalsContact OG-N 3.16Å; S309-D312 PolarHBondContact OG-OD2 2.67Å; D312-D314 VanDerWaalsContact C-N 3.33Å; D312-D314 PolarHBondContact O-N 2.91Å; D312-S315 PolarHBondContact O-N 2.86Å; D312-Q316 WeakPolarHBondContact O-CB 3.42Å; D312-Q316 PolarHBondContact O-N 3.16Å; D312-F355 HydrophobicContact CB-CZ 4.45Å
313	I	97.7	Very high	95.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-46.6	175.1	-69.2	167.9	0	0	0	110.4	V206 P308 S309 L310 Q316 M317 V357 P371	V206-I313 HydrophobicContact CB-CD1 3.95Å; V206-I313 HydrophobicContact CG1-CD1 4.29Å; V206-I313 HydrophobicContact CG2-CD1 3.77Å; P308-I313 HydrophobicContact CB-CG1 4.23Å; P308-I313 HydrophobicContact CG-CG1 4.49Å; S309-I313 WeakPolarHBondContact O-CG1 3.18Å; S309-I313 PolarHBondContact O-N 3.49Å; L310-I313 HydrophobicContact CD2-CD1 4.37Å; L310-I313 PolarHBondContact O-N 3.01Å; I313-Q316 PolarHBondContact O-N 3.16Å; I313-M317 WeakPolarHBondContact O-CG 3.28Å; I313-M317 PolarHBondContact O-N 3.14Å; I313-V357 HydrophobicContact CB-CG2 4.49Å; I313-V357 HydrophobicContact CG2-CG1 4.03Å; I313-V357 HydrophobicContact CG2-CG2 4.16Å; I313-P371 HydrophobicContact CD1-CB 4.14Å; I313-P371 HydrophobicContact CD1-CG 3.76Å; I313-P371 HydrophobicContact CG1-CB 4.03Å; I313-P371 HydrophobicContact CG1-CG 4.23Å
314	D	95.8	Very high	94.4	Very high	49 Å²	49	38.5 Å²	38.5	26%	0.262	20%	0.196	S	C	.	.	H	α-helix	trans	-66.8	-44.9	179.8	-70.1	-12.3	0	0	0	111.7	R196 L310 Q311 D312 Q316 M317 D318	R196-D314 IonicContact CZ-OD1 2.78Å; R196-D314 IonicContact NH1-OD1 3.62Å; R196-D314 IonicContact NH2-OD1 2.92Å; R196-D314 PolarHBondContact NH2-OD1 3.07Å; R196-D314 IonicContact NH2-OD2 3.99Å; R196-D314 PolarHBondContact NH2-OD2 3.49Å; L310-D314 PolarHBondContact O-N 3.39Å; L310-D314 VanDerWaalsContact O-N 3.14Å; Q311-D314 PolarHBondContact O-N 3.04Å; D312-D314 VanDerWaalsContact C-N 3.33Å; D312-D314 PolarHBondContact O-N 2.91Å; D314-Q316 VanDerWaalsContact C-N 3.33Å; D314-Q316 PolarHBondContact O-N 2.92Å; D314-M317 PolarHBondContact O-N 3.38Å; D314-D318 PolarHBondContact O-N 3.49Å
315	S	96.9	Very high	93.1	Very high	37 Å²	37	39.9 Å²	39.9	26%	0.259	21%	0.211	S	C	.	.	H	α-helix	trans	-60.1	-45	176.3	-57.1	0	0	0	0	110.9	Q311 D312 M317 D318 H319	Q311-S315 WeakPolarHBondContact O-CB 3.09Å; Q311-S315 PolarHBondContact O-N 3.03Å; Q311-S315 PolarHBondContact O-OG 3.33Å; D312-S315 PolarHBondContact O-N 2.86Å; S315-M317 PolarHBondContact O-N 3.09Å; S315-D318 WeakPolarHBondContact O-CB 3.45Å; S315-D318 PolarHBondContact O-N 3.06Å; S315-H319 PolarHBondContact O-CD2 3.01Å; S315-H319 PolarHBondContact O-N 3.36Å
316	Q	97.8	Very high	91.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-40.6	178.2	175.7	59.1	15.2	0	0	112.3	W297 D312 I313 D314 D318 H319 Q320 C333 F355 V357	W297-Q316 HydrophobicContact CZ2-CB 4.26Å; D312-Q316 WeakPolarHBondContact O-CB 3.42Å; D312-Q316 PolarHBondContact O-N 3.16Å; I313-Q316 PolarHBondContact O-N 3.16Å; D314-Q316 VanDerWaalsContact C-N 3.33Å; D314-Q316 PolarHBondContact O-N 2.92Å; Q316-D318 VanDerWaalsContact C-N 3.35Å; Q316-H319 PolarHBondContact O-N 2.8Å; Q316-Q320 WeakPolarHBondContact O-CB 3.23Å; Q316-Q320 VanDerWaalsContact O-CG 3.28Å; Q316-Q320 WeakPolarHBondContact O-CG 3.3Å; Q316-Q320 PolarHBondContact O-N 3.33Å; Q316-C333 PolarHBondContact NE2-O 3.05Å; Q316-F355 HydrophobicContact CB-CE2 3.72Å; Q316-F355 HydrophobicContact CB-CZ 4.06Å; Q316-F355 HydrophobicContact CG-CD2 4.3Å; Q316-F355 HydrophobicContact CG-CE2 3.69Å; Q316-F355 HydrophobicContact CG-CZ 4.24Å; Q316-V357 HydrophobicContact CB-CG2 3.89Å; Q316-V357 HydrophobicContact CG-CB 4.09Å; Q316-V357 HydrophobicContact CG-CG2 3.57Å
317	M	94.8	Very high	89.2	Confident	36 Å²	36	50.4 Å²	50.4	18%	0.177	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-46.5	172.5	-76	-172.9	59.4	0	0	111.5	I313 D314 S315 H319 Q320 L321 V357	I313-M317 WeakPolarHBondContact O-CG 3.28Å; I313-M317 PolarHBondContact O-N 3.14Å; D314-M317 PolarHBondContact O-N 3.38Å; S315-M317 PolarHBondContact O-N 3.09Å; M317-H319 VanDerWaalsContact C-N 3.34Å; M317-H319 PolarHBondContact O-N 3.16Å; M317-Q320 PolarHBondContact O-N 3.25Å; M317-L321 WeakPolarHBondContact O-CG 3.43Å; M317-L321 PolarHBondContact O-N 3.48Å; M317-V357 HydrophobicContact CG-CB 4Å; M317-V357 HydrophobicContact CG-CG1 3.43Å; M317-V357 VanDerWaalsContact CG-CG1 3.43Å; M317-V357 HydrophobicContact SD-CG1 3.94Å
318	D	94.9	Very high	87.2	Confident	86 Å²	86	57 Å²	57	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-42.7	177.3	-82.6	-7	0	0	0	111.9	D314 S315 Q316 L321 R322	D314-D318 PolarHBondContact O-N 3.49Å; S315-D318 WeakPolarHBondContact O-CB 3.45Å; S315-D318 PolarHBondContact O-N 3.06Å; Q316-D318 VanDerWaalsContact C-N 3.35Å; D318-L321 PolarHBondContact O-N 3.29Å; D318-R322 WeakPolarHBondContact O-CB 3.33Å; D318-R322 WeakPolarHBondContact O-CG 3.17Å; D318-R322 PolarHBondContact O-N 2.62Å
319	H	95.1	Very high	85.8	Confident	33 Å²	33	59 Å²	59	15%	0.153	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-43.7	176.2	-72.6	-71.6	0	0	0	112.1	W297 S315 Q316 M317 L321 R322 L323 C333	W297-H319 AromaticContact CD1-CD2 3.85Å; W297-H319 AromaticContact CE2-CD2 3.87Å; W297-H319 AromaticContact NE1-CD2 3.57Å; S315-H319 PolarHBondContact O-CD2 3.01Å; S315-H319 PolarHBondContact O-N 3.36Å; Q316-H319 PolarHBondContact O-N 2.8Å; M317-H319 VanDerWaalsContact C-N 3.34Å; M317-H319 PolarHBondContact O-N 3.16Å; H319-L321 PolarHBondContact O-N 3.11Å; H319-R322 PolarHBondContact CE1-NH2 3.44Å; H319-R322 PolarHBondContact ND1-NH2 3.13Å; H319-R322 PolarHBondContact NE2-NH2 3.48Å; H319-R322 PolarHBondContact O-N 3.23Å; H319-L323 WeakPolarHBondContact O-CB 3.17Å; H319-L323 PolarHBondContact O-N 2.69Å; H319-C333 VanDerWaalsContact CB-SG 3.57Å
320	Q	94.4	Very high	85	Confident	13 Å²	13	62 Å²	62	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-44.7	175.6	-74.9	170.9	-163.1	0	0	112	Q316 M317 L323 Q324 C333 W356 V357	Q316-Q320 WeakPolarHBondContact O-CB 3.23Å; Q316-Q320 VanDerWaalsContact O-CG 3.28Å; Q316-Q320 WeakPolarHBondContact O-CG 3.3Å; Q316-Q320 PolarHBondContact O-N 3.33Å; M317-Q320 PolarHBondContact O-N 3.25Å; Q320-L323 PolarHBondContact O-N 3.34Å; Q320-Q324 WeakPolarHBondContact O-CG 3.2Å; Q320-Q324 PolarHBondContact O-N 3.22Å; Q320-C333 HydrophobicContact CB-CB 4.48Å; Q320-C333 HydrophobicContact CG-CB 3.89Å; Q320-W356 VanDerWaalsContact CD-CD1 3.45Å; Q320-V357 PolarHBondContact NE2-O 2.97Å; Q320-V357 PolarHBondContact OE1-O 3.13Å
321	L	91.3	Very high	84.6	Confident	106 Å²	106	64.2 Å²	64.2	56%	0.555	35%	0.35	S	S	*	.	H	α-helix	trans	-65.8	-40.7	177.8	-71.5	171.4	0	0	0	112	M317 D318 H319 L323	M317-L321 WeakPolarHBondContact O-CG 3.43Å; M317-L321 PolarHBondContact O-N 3.48Å; D318-L321 PolarHBondContact O-N 3.29Å; H319-L321 PolarHBondContact O-N 3.11Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 2.82Å
322	R	89	Confident	84.4	Confident	147 Å²	147	59.9 Å²	59.9	56%	0.555	33%	0.33	S	S	*	.	H	α-helix	trans	-62.6	-39.5	176.5	-77.8	-171.7	-68.8	-99.8	1.1	112.2	D318 H319	D318-R322 WeakPolarHBondContact O-CB 3.33Å; D318-R322 WeakPolarHBondContact O-CG 3.17Å; D318-R322 PolarHBondContact O-N 2.62Å; H319-R322 PolarHBondContact CE1-NH2 3.44Å; H319-R322 PolarHBondContact ND1-NH2 3.13Å; H319-R322 PolarHBondContact NE2-NH2 3.48Å; H319-R322 PolarHBondContact O-N 3.23Å
323	L	86.9	Confident	84.3	Confident	29 Å²	29	59.2 Å²	59.2	15%	0.152	33%	0.327	C	S	.	.	H	α-helix	trans	-82.2	-24.2	-176.2	-78.6	160.7	0	0	0	113.9	L294 H319 Q320 L321 G325 C333	L294-L323 HydrophobicContact CB-CD2 4.31Å; L294-L323 HydrophobicContact CD2-CD2 4.34Å; L294-L323 HydrophobicContact CG-CD2 4.34Å; L294-L323 WeakPolarHBondContact O-CD2 3.48Å; H319-L323 WeakPolarHBondContact O-CB 3.17Å; H319-L323 PolarHBondContact O-N 2.69Å; Q320-L323 PolarHBondContact O-N 3.34Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 2.82Å; L323-G325 PolarHBondContact O-N 3.39Å; L323-C333 HydrophobicContact CB-CB 4.4Å; L323-C333 HydrophobicContact CD1-CB 3.46Å; L323-C333 VanDerWaalsContact CD1-CB 3.46Å; L323-C333 WeakPolarHBondContact CD1-SG 3.42Å
324	Q	79.3	Confident	84.4	Confident	81 Å²	81	59.2 Å²	59.2	38%	0.379	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-21.3	171.2	-84.8	179.4	-20.8	0	0	113.6	Q320 G329	Q320-Q324 WeakPolarHBondContact O-CG 3.2Å; Q320-Q324 PolarHBondContact O-N 3.22Å; Q324-G329 VanDerWaalsContact O-O 3.07Å
325	G	64.8	Low	84.5	Confident	52 Å²	52	56.9 Å²	56.9	54%	0.536	31%	0.314	S	S	.	.			trans	64.8	-160.3	177	0	0	0	0	0	113.4	L323	L323-G325 PolarHBondContact O-N 3.39Å
326	S	56.8	Low	84.6	Confident	87 Å²	87	55.2 Å²	55.2	61%	0.608	30%	0.302	S	S	*	.	S	Bend	trans	-107.8	-0.5	-173.6	-48.3	0	0	0	0	114.4
327	N	53.5	Low	84.6	Confident	153 Å²	153	55.2 Å²	55.2	82%	0.818	30%	0.302	S	S	*	.	S	Bend	trans	-105.1	24.6	-166.4	-72.5	4.3	0	0	0	114.2	G329	N327-G329 PolarHBondContact O-N 3.3Å
328	N	56.2	Low	84.8	Confident	174 Å²	174	53.5 Å²	53.5	93%	0.93	29%	0.294	S	S	*	.	S	Bend	trans	51.6	15.4	-171.5	-80.1	8.8	0	0	0	114.4
329	G	69.2	Low	84.9	Confident	40 Å²	40	49.4 Å²	49.4	41%	0.412	27%	0.272	S	S	.	.			trans	-81.9	133.4	177.5	0	0	0	0	0	109.9	Q324 N327	Q324-G329 VanDerWaalsContact O-O 3.07Å; N327-G329 PolarHBondContact O-N 3.3Å
330	F	80.5	Confident	85	Confident	68 Å²	68	47.8 Å²	47.8	30%	0.298	27%	0.265	S	S	.	.			trans	-81.2	119.5	169.4	-179.6	-99.4	0	0	0	108.9	F220 W251 P332 W356	F220-F330 HydrophobicContact CB-CE1 4.33Å; F220-F330 AromaticContact CD1-CE1 3.61Å; F220-F330 HydrophobicContact CD1-CE1 3.61Å; F220-F330 AromaticContact CD1-CZ 3.5Å; F220-F330 HydrophobicContact CD1-CZ 3.5Å; F220-F330 VanDerWaalsContact CD1-CZ 3.5Å; F220-F330 HydrophobicContact CE1-CE1 4.32Å; F220-F330 AromaticContact CE1-CZ 3.8Å; F220-F330 HydrophobicContact CE1-CZ 3.8Å; F220-F330 HydrophobicContact CG-CE1 4.27Å; W251-F330 HydrophobicContact CH2-CD1 4.06Å; W251-F330 HydrophobicContact CH2-CE1 4.07Å; W251-F330 AromaticContact CZ2-CD1 3.68Å; W251-F330 HydrophobicContact CZ2-CD1 3.68Å; W251-F330 HydrophobicContact CZ2-CE1 4.14Å; W251-F330 PolarHBondContact NE1-O 2.95Å; F330-P332 HydrophobicContact CE1-CB 3.9Å; F330-P332 HydrophobicContact CE1-CG 4.1Å; F330-P332 HydrophobicContact CZ-CB 4Å; F330-W356 HydrophobicContact CE2-CH2 4.45Å; F330-W356 HydrophobicContact CE2-CZ2 4.02Å; F330-W356 HydrophobicContact CZ-CZ2 4.18Å
331	Q	88.1	Confident	85.1	Confident	50 Å²	50	47.7 Å²	47.7	23%	0.234	26%	0.264	C	S	.	.			trans	-124.6	118.1	164.3	177.5	171.8	-27.6	0	0	108	W251 L294	W251-Q331 HydrophobicContact CG-CG 4.46Å; L294-Q331 PolarHBondContact O-NE2 3.38Å
332	P	91.6	Very high	85.2	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.249	C	C	.	.			trans	-70.5	149.4	179.4	28.7	-32.9	0	0	0	111.2	F220 W251 L258 F330	F220-P332 HydrophobicContact CD1-CB 3.73Å; F220-P332 HydrophobicContact CD1-CG 4.38Å; F220-P332 HydrophobicContact CD2-CB 3.87Å; F220-P332 HydrophobicContact CD2-CG 4.14Å; F220-P332 HydrophobicContact CE1-CB 3.62Å; F220-P332 HydrophobicContact CE2-CB 3.76Å; F220-P332 HydrophobicContact CE2-CG 4.45Å; F220-P332 HydrophobicContact CG-CB 3.86Å; F220-P332 HydrophobicContact CG-CG 4.11Å; F220-P332 HydrophobicContact CZ-CB 3.64Å; W251-P332 HydrophobicContact CD2-CG 3.94Å; W251-P332 HydrophobicContact CE3-CG 3.49Å; W251-P332 VanDerWaalsContact CE3-CG 3.49Å; W251-P332 HydrophobicContact CH2-CG 4.11Å; W251-P332 HydrophobicContact CZ3-CG 3.58Å; L258-P332 HydrophobicContact CB-CG 4.02Å; L258-P332 HydrophobicContact CD1-CG 3.84Å; L258-P332 HydrophobicContact CD2-CB 4.25Å; L258-P332 HydrophobicContact CD2-CG 3.97Å; L258-P332 HydrophobicContact CG-CG 4.16Å; F330-P332 HydrophobicContact CE1-CB 3.9Å; F330-P332 HydrophobicContact CE1-CG 4.1Å; F330-P332 HydrophobicContact CZ-CB 4Å
333	C	96.6	Very high	85.1	Confident	1 Å²	1	46 Å²	46	1%	0.007	26%	0.257	C	S	.	.			trans	-119.9	117.6	169.8	177.7	0	0	0	0	108	V295 Q316 H319 Q320 L323	V295-C333 WeakPolarHBondContact O-CA 3.47Å; Q316-C333 PolarHBondContact NE2-O 3.05Å; H319-C333 VanDerWaalsContact CB-SG 3.57Å; Q320-C333 HydrophobicContact CB-CB 4.48Å; Q320-C333 HydrophobicContact CG-CB 3.89Å; L323-C333 HydrophobicContact CB-CB 4.4Å; L323-C333 HydrophobicContact CD1-CB 3.46Å; L323-C333 VanDerWaalsContact CD1-CB 3.46Å; L323-C333 WeakPolarHBondContact CD1-SG 3.42Å
334	L	98.3	Very high	85.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.7	178.2	-170.5	67.1	0	0	0	110.5	V222 L258 V260 V295 G296 W297 I336 P354 V374	V222-L334 HydrophobicContact CG1-CD2 3.83Å; V222-L334 HydrophobicContact CG2-CD1 4.47Å; L258-L334 HydrophobicContact CD2-CB 4.03Å; V260-L334 HydrophobicContact CG2-CD2 4.04Å; V295-L334 PolarHBondContact O-N 3.06Å; G296-L334 CarbonylContact C-O 3.54Å; G296-L334 WeakPolarHBondContact CA-O 3.43Å; W297-L334 PolarHBondContact N-O 3.03Å; L334-I336 HydrophobicContact CD2-CD1 3.88Å; L334-I336 HydrophobicContact CD2-CG1 4.02Å; L334-I336 HydrophobicContact CG-CD1 4.45Å; L334-I336 HydrophobicContact CG-CG1 4.04Å; L334-P354 HydrophobicContact CD1-CB 4.09Å; L334-V374 HydrophobicContact CD1-CB 4.14Å; L334-V374 HydrophobicContact CD1-CG1 3.9Å; L334-V374 HydrophobicContact CD1-CG2 4.21Å
335	G	98.5	Very high	85.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.9	165.4	0	0	0	0	0	109.8	P354 F355	G335-P354 CarbonylContact O-C 3.5Å; G335-P354 WeakPolarHBondContact O-CA 3.16Å; G335-F355 PolarHBondContact N-O 2.94Å; G335-F355 VanDerWaalsContact O-CD1 3.31Å; G335-F355 WeakPolarHBondContact O-CD1 2.79Å; G335-F355 PolarHBondContact O-N 3.04Å
336	I	98.8	Very high	86.7	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.8	175	-57	-178	0	0	0	109.9	M232 L247 W297 Y298 H299 L334 I352 T353 P354	M232-I336 HydrophobicContact CE-CG2 3.83Å; M232-I336 HydrophobicContact SD-CB 4.27Å; M232-I336 HydrophobicContact SD-CD1 4.36Å; M232-I336 HydrophobicContact SD-CG2 3.73Å; L247-I336 HydrophobicContact CD1-CD1 3.63Å; L247-I336 HydrophobicContact CD1-CG1 3.99Å; W297-I336 PolarHBondContact O-N 2.89Å; Y298-I336 CarbonylContact C-O 3.39Å; Y298-I336 WeakPolarHBondContact CA-O 3.34Å; Y298-I336 WeakPolarHBondContact CB-O 3.05Å; H299-I336 PolarHBondContact N-O 3.04Å; L334-I336 HydrophobicContact CD2-CD1 3.88Å; L334-I336 HydrophobicContact CD2-CG1 4.02Å; L334-I336 HydrophobicContact CG-CD1 4.45Å; L334-I336 HydrophobicContact CG-CG1 4.04Å; I336-I352 HydrophobicContact CG2-CG2 3.54Å; I336-T353 WeakPolarHBondContact CA-O 3.25Å; I336-P354 HydrophobicContact CG1-CB 4.35Å
337	I	98.8	Very high	88.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.5	173.3	-50.9	-175.9	0	0	0	108.7	H299 H301 A306 P308 T353 F355	H299-I337 VanDerWaalsContact CE1-CG1 3.47Å; H299-I337 WeakPolarHBondContact CE1-CG1 3.2Å; H299-I337 WeakPolarHBondContact O-CA 3.32Å; H301-I337 HydrophobicContact CB-CG2 4.43Å; A306-I337 HydrophobicContact CB-CB 4.45Å; A306-I337 HydrophobicContact CB-CG2 4.22Å; P308-I337 HydrophobicContact CB-CD1 3.86Å; I337-T353 PolarHBondContact N-O 3.32Å; I337-T353 PolarHBondContact O-N 2.99Å; I337-F355 HydrophobicContact CD1-CD1 4.28Å; I337-F355 HydrophobicContact CD1-CE1 3.82Å; I337-F355 HydrophobicContact CD1-CZ 4.34Å; I337-F355 HydrophobicContact CG1-CD1 4.07Å; I337-F355 HydrophobicContact CG1-CE1 3.63Å
338	C	98.4	Very high	90.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.5	177.4	-175.5	0	0	0	0	110.8	C236 H299 S300 H301 P340 T351	C236-C338 HydrophobicContact CB-CB 4.21Å; C236-C338 VanDerWaalsContact SG-CB 3.51Å; H299-C338 PolarHBondContact O-N 2.96Å; S300-C338 CarbonylContact C-O 3.56Å; S300-C338 WeakPolarHBondContact CA-O 3.46Å; H301-C338 PolarHBondContact N-O 3.47Å; C338-P340 VanDerWaalsContact O-CD 3.24Å; C338-P340 WeakPolarHBondContact O-CD 3.33Å; C338-T351 WeakPolarHBondContact CA-O 3.09Å
339	G	97.4	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	89	174.7	0	0	0	0	0	110.7	H301 N345 T351	H301-G339 WeakPolarHBondContact O-CA 3.45Å; G339-N345 PolarHBondContact O-ND2 3.44Å; G339-T351 PolarHBondContact N-O 3.01Å; G339-T351 PolarHBondContact O-N 3.38Å
340	P	96.9	Very high	93.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-72.9	-48.2	-174	26.7	-33.9	0	0	0	113	C236 C338 N345 S350 K421	C236-P340 HydrophobicContact CB-CG 4.19Å; C236-P340 WeakPolarHBondContact O-CG 3.47Å; C338-P340 VanDerWaalsContact O-CD 3.24Å; C338-P340 WeakPolarHBondContact O-CD 3.33Å; P340-N345 PolarHBondContact O-ND2 3.29Å; P340-S350 WeakPolarHBondContact CA-OG 3.31Å; P340-K421 WeakPolarHBondContact O-CE 3.39Å; P340-K421 PolarHBondContact O-NZ 3.27Å
341	Y	95.5	Very high	94.2	Very high	10 Å²	10	35.1 Å²	35.1	4%	0.039	20%	0.203	C	C	.	.	S	Bend	trans	-108.3	19.9	-171.6	-54.2	-76.1	0	0	0	113.9	H237 P302 H343 V406 W412 M418 K421	H237-Y341 AromaticContact CD2-CE1 3.92Å; H237-Y341 AromaticContact CD2-CZ 3.56Å; H237-Y341 PolarHBondContact CD2-OH 3.45Å; H237-Y341 VanDerWaalsContact CD2-OH 3.3Å; H237-Y341 PolarHBondContact O-OH 2.88Å; H237-Y341 VanDerWaalsContact O-OH 3.08Å; P302-Y341 CarbonylContact O-C 3.49Å; P302-Y341 VanDerWaalsContact O-CA 3.27Å; P302-Y341 WeakPolarHBondContact O-CA 3.42Å; P302-Y341 WeakPolarHBondContact O-CB 3.28Å; P302-Y341 PolarHBondContact O-N 2.93Å; Y341-H343 PolarHBondContact O-N 3.22Å; Y341-V406 HydrophobicContact CE2-CG2 4.15Å; Y341-W412 AromaticContact CD1-CD1 3.92Å; Y341-W412 HydrophobicContact CD1-CG 4.43Å; Y341-M418 HydrophobicContact CD1-CE 4.48Å; Y341-M418 HydrophobicContact CD1-SD 3.62Å; Y341-M418 HydrophobicContact CE1-SD 3.27Å; Y341-M418 WeakPolarHBondContact CE1-SD 3.41Å; Y341-M418 HydrophobicContact CG-SD 4.47Å; Y341-K421 HydrophobicContact CD1-CD 4.1Å; Y341-K421 HydrophobicContact CD1-CG 4.36Å; Y341-K421 HydrophobicContact CE1-CD 3.81Å; Y341-K421 HydrophobicContact CE1-CG 4.21Å
342	Y	93.2	Very high	94.7	Very high	64 Å²	64	33.9 Å²	33.9	25%	0.251	20%	0.197	S	C	.	.			trans	-65.5	126.1	175.6	179.7	-126.4	0	0	0	110.7	R303 G304 P305 G344 N345	R303-Y342 WeakPolarHBondContact O-CD2 3.27Å; G304-Y342 WeakPolarHBondContact O-CB 3.5Å; P305-Y342 HydrophobicContact CB-CD1 4.25Å; P305-Y342 HydrophobicContact CB-CE1 3.89Å; P305-Y342 HydrophobicContact CB-CE2 4.3Å; P305-Y342 HydrophobicContact CG-CE2 4.49Å; Y342-G344 VanDerWaalsContact CE1-CA 3.45Å; Y342-G344 PolarHBondContact O-N 3.35Å; Y342-G344 VanDerWaalsContact O-N 3.16Å; Y342-N345 VanDerWaalsContact O-CB 3.26Å; Y342-N345 WeakPolarHBondContact O-CB 3.18Å; Y342-N345 PolarHBondContact O-N 3.48Å; Y342-N345 PolarHBondContact O-ND2 2.92Å
343	H	88.6	Confident	95	Very high	153 Å²	153	34.9 Å²	34.9	71%	0.708	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.9	-177.7	-68.4	-65.9	0	0	0	113.9	Y341 N345	Y341-H343 PolarHBondContact O-N 3.22Å; H343-N345 VanDerWaalsContact C-N 3.27Å
344	G	88.2	Confident	95.1	Very high	49 Å²	49	35.4 Å²	35.4	51%	0.505	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.4	172.5	0	0	0	0	0	114.6	Y342	Y342-G344 VanDerWaalsContact CE1-CA 3.45Å; Y342-G344 PolarHBondContact O-N 3.35Å; Y342-G344 VanDerWaalsContact O-N 3.16Å
345	N	90.7	Very high	95.1	Very high	18 Å²	18	35.4 Å²	35.4	10%	0.096	21%	0.207	C	C	.	.	S	Bend	trans	-66.2	146.8	176.1	-70	-7.2	0	0	0	111.5	G339 P340 Y342 H343 G347 T351	G339-N345 PolarHBondContact O-ND2 3.44Å; P340-N345 PolarHBondContact O-ND2 3.29Å; Y342-N345 VanDerWaalsContact O-CB 3.26Å; Y342-N345 WeakPolarHBondContact O-CB 3.18Å; Y342-N345 PolarHBondContact O-N 3.48Å; Y342-N345 PolarHBondContact O-ND2 2.92Å; H343-N345 VanDerWaalsContact C-N 3.27Å; N345-G347 PolarHBondContact O-N 2.76Å; N345-T351 PolarHBondContact OD1-OG1 3.46Å
346	Q	86.1	Confident	95.1	Very high	190 Å²	190	36.6 Å²	36.6	89%	0.888	21%	0.212	S	C	*	.	S	Bend	trans	-84.2	95.2	175.6	-64.3	-173.7	9.7	0	0	110.2
347	G	90.2	Very high	95	Very high	49 Å²	49	36.5 Å²	36.5	51%	0.505	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-150.7	-178.5	0	0	0	0	0	112.6	N345 A349 W412	N345-G347 PolarHBondContact O-N 2.76Å; G347-A349 VanDerWaalsContact C-N 3.34Å; G347-A349 PolarHBondContact O-N 2.95Å; G347-W412 VanDerWaalsContact O-CH2 3.3Å; G347-W412 WeakPolarHBondContact O-CH2 3.47Å
348	V	93.4	Very high	94.8	Very high	48 Å²	48	36.5 Å²	36.5	29%	0.291	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.2	-172.2	-65.8	0	0	0	0	114.5	W412 T416 K421 S425	V348-W412 HydrophobicContact CG1-CZ3 4.09Å; V348-T416 HydrophobicContact CG1-CG2 4.26Å; V348-K421 VanDerWaalsContact O-CE 3.32Å; V348-K421 WeakPolarHBondContact O-CE 3.27Å; V348-K421 PolarHBondContact O-NZ 3.04Å; V348-S425 WeakPolarHBondContact O-CB 3.43Å
349	A	95.8	Very high	94.5	Very high	35 Å²	35	39.7 Å²	39.7	29%	0.289	23%	0.232	S	C	.	.	S	Bend	trans	-67.4	133.8	-177.2	0	0	0	0	0	111.4	G347	G347-A349 VanDerWaalsContact C-N 3.34Å; G347-A349 PolarHBondContact O-N 2.95Å
350	S	97.1	Very high	94.1	Very high	14 Å²	14	41 Å²	41	10%	0.098	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-64.8	142.8	167.7	-64.9	0	0	0	0	111.1	D233 H237 P340 I352 K421 S425	D233-S350 WeakPolarHBondContact OD1-CB 3.17Å; D233-S350 PolarHBondContact OD1-OG 2.85Å; H237-S350 PolarHBondContact CE1-OG 2.79Å; P340-S350 WeakPolarHBondContact CA-OG 3.31Å; S350-I352 PolarHBondContact O-N 2.72Å; S350-K421 PolarHBondContact OG-NZ 3.43Å; S350-S425 PolarHBondContact N-OG 2.95Å; S350-S425 PolarHBondContact OG-OG 3.08Å
351	T	97.3	Very high	93.3	Very high	53 Å²	53	42.5 Å²	42.5	33%	0.325	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.7	167.3	-60.8	0	0	0	0	108.5	A306 C338 G339 N345	A306-T351 HydrophobicContact CB-CG2 3.84Å; A306-T351 WeakPolarHBondContact CB-O 3.18Å; C338-T351 WeakPolarHBondContact CA-O 3.09Å; G339-T351 PolarHBondContact N-O 3.01Å; G339-T351 PolarHBondContact O-N 3.38Å; N345-T351 PolarHBondContact OD1-OG1 3.46Å
352	I	97.7	Very high	92.7	Very high	24 Å²	24	50.7 Å²	50.7	12%	0.123	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119	176.3	-63.4	172.1	0	0	0	107.5	L229 M232 I336 S350 P354	L229-I352 HydrophobicContact CD2-CD1 4.18Å; L229-I352 HydrophobicContact CD2-CG2 4.39Å; M232-I352 HydrophobicContact CE-CB 4.44Å; M232-I352 HydrophobicContact CE-CD1 3.74Å; M232-I352 HydrophobicContact CE-CG1 4.08Å; M232-I352 HydrophobicContact CE-CG2 3.5Å; I336-I352 HydrophobicContact CG2-CG2 3.54Å; S350-I352 PolarHBondContact O-N 2.72Å; I352-P354 WeakPolarHBondContact O-CD 3.29Å
353	T	98.3	Very high	92.4	Very high	22 Å²	22	55.1 Å²	55.1	14%	0.135	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	100.8	-172.6	-56.4	0	0	0	0	110.8	L208 A306 I336 I337	L208-T353 HydrophobicContact CD1-CG2 3.2Å; A306-T353 WeakPolarHBondContact CB-OG1 3.28Å; A306-T353 WeakPolarHBondContact O-CB 3.47Å; A306-T353 WeakPolarHBondContact O-CG2 3.46Å; A306-T353 PolarHBondContact O-OG1 3.02Å; I336-T353 WeakPolarHBondContact CA-O 3.25Å; I337-T353 PolarHBondContact N-O 3.32Å; I337-T353 PolarHBondContact O-N 2.99Å
354	P	98.5	Very high	92.2	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.084	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.3	168.7	-14.4	30.8	0	0	0	110.8	L334 G335 I336 I352 V374 V376	L334-P354 HydrophobicContact CD1-CB 4.09Å; G335-P354 CarbonylContact O-C 3.5Å; G335-P354 WeakPolarHBondContact O-CA 3.16Å; I336-P354 HydrophobicContact CG1-CB 4.35Å; I352-P354 WeakPolarHBondContact O-CD 3.29Å; P354-V374 HydrophobicContact CB-CB 4.17Å; P354-V374 PolarHBondContact O-N 3.06Å; P354-V376 HydrophobicContact CB-CG1 3.81Å; P354-V376 HydrophobicContact CG-CG1 3.71Å; P354-V376 HydrophobicContact CG-CG2 4.12Å
355	F	98.6	Very high	92.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160	179.3	77	-75.8	0	0	0	112.3	L208 W297 P308 D312 Q316 G335 I337 V357 V372	L208-F355 HydrophobicContact CD1-CB 4.06Å; L208-F355 HydrophobicContact CD2-CB 3.8Å; L208-F355 HydrophobicContact CD2-CG 4.49Å; W297-F355 HydrophobicContact CZ2-CZ 4.06Å; P308-F355 HydrophobicContact CB-CD2 4.28Å; P308-F355 HydrophobicContact CB-CE2 3.97Å; P308-F355 HydrophobicContact CB-CZ 4.2Å; P308-F355 HydrophobicContact CG-CD2 4.3Å; P308-F355 HydrophobicContact CG-CE2 4.47Å; D312-F355 HydrophobicContact CB-CZ 4.45Å; Q316-F355 HydrophobicContact CB-CE2 3.72Å; Q316-F355 HydrophobicContact CB-CZ 4.06Å; Q316-F355 HydrophobicContact CG-CD2 4.3Å; Q316-F355 HydrophobicContact CG-CE2 3.69Å; Q316-F355 HydrophobicContact CG-CZ 4.24Å; G335-F355 PolarHBondContact N-O 2.94Å; G335-F355 VanDerWaalsContact O-CD1 3.31Å; G335-F355 WeakPolarHBondContact O-CD1 2.79Å; G335-F355 PolarHBondContact O-N 3.04Å; I337-F355 HydrophobicContact CD1-CD1 4.28Å; I337-F355 HydrophobicContact CD1-CE1 3.82Å; I337-F355 HydrophobicContact CD1-CZ 4.34Å; I337-F355 HydrophobicContact CG1-CD1 4.07Å; I337-F355 HydrophobicContact CG1-CE1 3.63Å; F355-V357 HydrophobicContact CD2-CG2 4.28Å; F355-V357 HydrophobicContact CE2-CG2 4.18Å; F355-V372 VanDerWaalsContact CA-O 3.3Å; F355-V372 WeakPolarHBondContact CA-O 3.46Å; F355-V372 WeakPolarHBondContact CB-O 3.49Å
356	W	97.9	Very high	91.9	Very high	25 Å²	25	59.9 Å²	59.9	10%	0.095	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.6	173.1	-166.1	61.1	0	0	0	108.3	F211 P219 F220 Q320 F330 V358 V372 V374	F211-W356 AromaticContact CE1-CE3 3.92Å; F211-W356 HydrophobicContact CE1-CE3 3.92Å; F211-W356 HydrophobicContact CE1-CZ3 4.16Å; F211-W356 AromaticContact CZ-CE3 3.79Å; F211-W356 HydrophobicContact CZ-CE3 3.79Å; F211-W356 HydrophobicContact CZ-CZ3 4.42Å; P219-W356 HydrophobicContact CG-CE3 4.14Å; P219-W356 HydrophobicContact CG-CH2 3.66Å; P219-W356 HydrophobicContact CG-CZ2 4.46Å; P219-W356 HydrophobicContact CG-CZ3 3.47Å; P219-W356 VanDerWaalsContact CG-CZ3 3.47Å; F220-W356 HydrophobicContact CE1-CD2 4.05Å; F220-W356 AromaticContact CE1-CE2 3.9Å; F220-W356 HydrophobicContact CE1-CE3 4.48Å; F220-W356 HydrophobicContact CE1-CG 4.37Å; F220-W356 HydrophobicContact CE1-CZ2 4.24Å; F220-W356 HydrophobicContact CZ-CD2 4.27Å; F220-W356 HydrophobicContact CZ-CG 4.11Å; Q320-W356 VanDerWaalsContact CD-CD1 3.45Å; F330-W356 HydrophobicContact CE2-CH2 4.45Å; F330-W356 HydrophobicContact CE2-CZ2 4.02Å; F330-W356 HydrophobicContact CZ-CZ2 4.18Å; W356-V358 HydrophobicContact CE3-CG2 4.19Å; W356-V358 HydrophobicContact CZ3-CG2 4.16Å; W356-V372 HydrophobicContact CB-CG2 4.06Å; W356-V372 HydrophobicContact CE3-CG2 4.29Å; W356-V372 PolarHBondContact N-O 2.57Å; W356-V372 VanDerWaalsContact O-CG2 3.29Å; W356-V372 WeakPolarHBondContact O-CG2 3.45Å; W356-V372 PolarHBondContact O-N 3.07Å; W356-V374 HydrophobicContact CB-CG2 3.52Å
357	V	97.1	Very high	92.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119	178.3	177.5	0	0	0	0	109.5	I313 Q316 M317 Q320 F355 I370 P371	I313-V357 HydrophobicContact CB-CG2 4.49Å; I313-V357 HydrophobicContact CG2-CG1 4.03Å; I313-V357 HydrophobicContact CG2-CG2 4.16Å; Q316-V357 HydrophobicContact CB-CG2 3.89Å; Q316-V357 HydrophobicContact CG-CB 4.09Å; Q316-V357 HydrophobicContact CG-CG2 3.57Å; M317-V357 HydrophobicContact CG-CB 4Å; M317-V357 HydrophobicContact CG-CG1 3.43Å; M317-V357 VanDerWaalsContact CG-CG1 3.43Å; M317-V357 HydrophobicContact SD-CG1 3.94Å; Q320-V357 PolarHBondContact NE2-O 2.97Å; Q320-V357 PolarHBondContact OE1-O 3.13Å; F355-V357 HydrophobicContact CD2-CG2 4.28Å; F355-V357 HydrophobicContact CE2-CG2 4.18Å; V357-I370 WeakPolarHBondContact CA-O 3.09Å; V357-P371 HydrophobicContact CG2-CB 4.48Å
358	V	94.6	Very high	92.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	125.5	171.1	179.9	0	0	0	0	108.1	F211 I214 W356 G369 I370 V372	F211-V358 HydrophobicContact CE1-CG2 4.42Å; I214-V358 HydrophobicContact CD1-CB 4.47Å; I214-V358 HydrophobicContact CD1-CG2 3.86Å; W356-V358 HydrophobicContact CE3-CG2 4.19Å; W356-V358 HydrophobicContact CZ3-CG2 4.16Å; V358-G369 CarbonylContact O-C 3.41Å; V358-G369 WeakPolarHBondContact O-CA 3.34Å; V358-I370 HydrophobicContact CB-CB 4.24Å; V358-I370 PolarHBondContact N-O 2.87Å; V358-I370 PolarHBondContact O-N 2.84Å; V358-V372 HydrophobicContact CG2-CG1 3.96Å; V358-V372 HydrophobicContact CG2-CG2 3.91Å
359	P	91.8	Very high	92.2	Very high	67 Å²	67	47 Å²	47	44%	0.435	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-54.5	146.9	176.4	-25.8	34.3	0	0	0	111.6
360	P	87.8	Confident	92.2	Very high	26 Å²	26	46.4 Å²	46.4	17%	0.169	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-57.5	147.7	176.9	24.7	-32.9	0	0	0	110.5	D367	P360-D367 HydrophobicContact CB-CB 4.24Å
361	P	81.6	Confident	92.2	Very high	32 Å²	32	45.7 Å²	45.7	21%	0.208	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-57.2	146.6	176.3	-21.8	32.2	0	0	0	111.6	Q363 R364	P361-Q363 PolarHBondContact O-N 2.81Å; P361-Q363 VanDerWaalsContact O-N 3.08Å; P361-R364 CarbonylContact O-C 3.53Å; P361-R364 PolarHBondContact O-N 3.21Å
362	E	83	Confident	92.3	Very high	182 Å²	182	43.2 Å²	43.2	85%	0.85	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.8	178.4	-68.5	178.9	179.9	0	0	113	R364 P365	E362-R364 VanDerWaalsContact C-N 3.26Å; E362-R364 PolarHBondContact O-N 2.87Å; E362-P365 WeakPolarHBondContact O-CD 3.47Å
363	Q	85.6	Confident	92.3	Very high	158 Å²	158	44 Å²	44	74%	0.738	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.4	177.3	-55.5	82.4	11.3	0	0	113.3	P361	P361-Q363 PolarHBondContact O-N 2.81Å; P361-Q363 VanDerWaalsContact O-N 3.08Å
364	R	85.3	Confident	92.3	Very high	122 Å²	122	43.3 Å²	43.3	46%	0.46	23%	0.226	S	C	.	.			trans	-137	63.9	-178.2	-65.1	-169.6	-70.5	140.9	7.7	110.6	P361 E362 N366 D367	P361-R364 CarbonylContact O-C 3.53Å; P361-R364 PolarHBondContact O-N 3.21Å; E362-R364 VanDerWaalsContact C-N 3.26Å; E362-R364 PolarHBondContact O-N 2.87Å; R364-N366 PolarHBondContact O-N 3.4Å; R364-D367 HydrophobicContact CB-CB 4.44Å; R364-D367 IonicContact CZ-OD2 3.11Å; R364-D367 IonicContact NE-OD2 3.53Å; R364-D367 IonicContact NH1-OD2 2.63Å; R364-D367 PolarHBondContact NH1-OD2 2.97Å; R364-D367 IonicContact NH2-OD2 3.83Å; R364-D367 WeakPolarHBondContact O-CB 3.15Å; R364-D367 PolarHBondContact O-N 2.96Å; R364-D367 VanDerWaalsContact O-N 3.17Å
365	P	85.3	Confident	92.2	Very high	86 Å²	86	50.4 Å²	50.4	56%	0.558	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.4	-174	29.4	-35.6	0	0	0	113.1	E362 D367	E362-P365 WeakPolarHBondContact O-CD 3.47Å; P365-D367 VanDerWaalsContact C-N 3.3Å
366	N	87	Confident	92.2	Very high	111 Å²	111	51.7 Å²	51.7	59%	0.594	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	3.9	179	-64.5	-30.9	0	0	0	113.5	T195 R196 R364	T195-N366 HydrophobicContact CG2-CB 3.72Å; R196-N366 WeakPolarHBondContact CB-O 3.44Å; R196-N366 WeakPolarHBondContact CD-O 3.4Å; R196-N366 WeakPolarHBondContact CG-O 3.43Å; R196-N366 PolarHBondContact N-O 3.04Å; R364-N366 PolarHBondContact O-N 3.4Å
367	D	90.6	Very high	92.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-82.1	165.5	175.5	-74.6	8.7	0	0	0	111.3	T195 R196 P360 R364 P365	T195-D367 VanDerWaalsContact CA-OD1 3.27Å; T195-D367 WeakPolarHBondContact CA-OD1 3.43Å; T195-D367 PolarHBondContact OG1-OD1 2.95Å; T195-D367 VanDerWaalsContact OG1-OD1 3.05Å; R196-D367 PolarHBondContact NH1-O 3.33Å; P360-D367 HydrophobicContact CB-CB 4.24Å; R364-D367 HydrophobicContact CB-CB 4.44Å; R364-D367 IonicContact CZ-OD2 3.11Å; R364-D367 IonicContact NE-OD2 3.53Å; R364-D367 IonicContact NH1-OD2 2.63Å; R364-D367 PolarHBondContact NH1-OD2 2.97Å; R364-D367 IonicContact NH2-OD2 3.83Å; R364-D367 WeakPolarHBondContact O-CB 3.15Å; R364-D367 PolarHBondContact O-N 2.96Å; R364-D367 VanDerWaalsContact O-N 3.17Å; P365-D367 VanDerWaalsContact C-N 3.3Å
368	Y	91.4	Very high	92.1	Very high	17 Å²	17	61.4 Å²	61.4	7%	0.067	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-69.4	150	166.5	-68.7	-81.5	0	0	0	110.2	Y190 L193 R196 L310	Y190-Y368 WeakPolarHBondContact CE2-O 3.23Å; Y190-Y368 PolarHBondContact OH-O 2.95Å; L193-Y368 HydrophobicContact CB-CD2 4.45Å; L193-Y368 HydrophobicContact CD1-CD2 4.44Å; R196-Y368 HydrophobicContact CB-CE2 4.25Å; R196-Y368 HydrophobicContact CG-CD1 4.14Å; R196-Y368 HydrophobicContact CG-CD2 3.85Å; R196-Y368 HydrophobicContact CG-CE1 4.01Å; R196-Y368 HydrophobicContact CG-CE2 3.72Å; R196-Y368 HydrophobicContact CG-CG 4.06Å; L310-Y368 HydrophobicContact CB-CE1 4.21Å; L310-Y368 HydrophobicContact CD1-CE1 4.4Å; L310-Y368 HydrophobicContact CD1-CE2 4.41Å; L310-Y368 HydrophobicContact CD2-CD1 3.94Å; L310-Y368 HydrophobicContact CD2-CD2 4.15Å; L310-Y368 HydrophobicContact CD2-CE1 3.96Å; L310-Y368 HydrophobicContact CD2-CE2 4.17Å; L310-Y368 HydrophobicContact CD2-CG 4.03Å; L310-Y368 HydrophobicContact CG-CE1 4.43Å
369	G	94.4	Very high	92.3	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-61.4	150.6	167.8	0	0	0	0	0	111	Y190 V358 P371	Y190-G369 WeakPolarHBondContact CE2-O 3.48Å; V358-G369 CarbonylContact O-C 3.41Å; V358-G369 WeakPolarHBondContact O-CA 3.34Å; G369-P371 VanDerWaalsContact O-CD 3.28Å; G369-P371 WeakPolarHBondContact O-CD 3.39Å
370	I	95.7	Very high	92.6	Very high	21 Å²	21	66.3 Å²	66.3	11%	0.108	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.6	-178.8	-48.6	170.7	0	0	0	108.2	Y190 I214 V357 V358 V372	Y190-I370 HydrophobicContact CD1-CG1 4.24Å; Y190-I370 HydrophobicContact CD1-CG2 4.2Å; Y190-I370 HydrophobicContact CD2-CB 4.49Å; Y190-I370 HydrophobicContact CD2-CG1 4.49Å; Y190-I370 HydrophobicContact CD2-CG2 4.36Å; Y190-I370 HydrophobicContact CE1-CB 4.49Å; Y190-I370 HydrophobicContact CE1-CD1 4.25Å; Y190-I370 HydrophobicContact CE1-CG1 3.64Å; Y190-I370 HydrophobicContact CE1-CG2 4.45Å; Y190-I370 HydrophobicContact CE2-CB 4.27Å; Y190-I370 HydrophobicContact CE2-CG1 3.92Å; Y190-I370 HydrophobicContact CG-CG2 4.16Å; Y190-I370 VanDerWaalsContact CZ-CG1 3.45Å; I214-I370 HydrophobicContact CG2-CG2 4.29Å; V357-I370 WeakPolarHBondContact CA-O 3.09Å; V358-I370 HydrophobicContact CB-CB 4.24Å; V358-I370 PolarHBondContact N-O 2.87Å; V358-I370 PolarHBondContact O-N 2.84Å; I370-V372 HydrophobicContact CG2-CG1 4.28Å; I370-V372 PolarHBondContact O-N 3.23Å
371	P	97.4	Very high	93	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	126.2	175.9	35.6	-37	0	0	0	109.4	V206 L208 S209 P308 I313 V357 G369	V206-P371 HydrophobicContact CB-CG 4.32Å; V206-P371 HydrophobicContact CG1-CG 3.79Å; L208-P371 HydrophobicContact CD2-CB 3.69Å; L208-P371 HydrophobicContact CD2-CG 4.37Å; S209-P371 PolarHBondContact N-O 2.82Å; P308-P371 HydrophobicContact CG-CB 3.92Å; P308-P371 HydrophobicContact CG-CG 4.45Å; I313-P371 HydrophobicContact CD1-CB 4.14Å; I313-P371 HydrophobicContact CD1-CG 3.76Å; I313-P371 HydrophobicContact CG1-CB 4.03Å; I313-P371 HydrophobicContact CG1-CG 4.23Å; V357-P371 HydrophobicContact CG2-CB 4.48Å; G369-P371 VanDerWaalsContact O-CD 3.28Å; G369-P371 WeakPolarHBondContact O-CD 3.39Å
372	V	97.9	Very high	93.7	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.4	-178.3	-66.8	0	0	0	0	110.7	S209 F211 I214 F355 W356 V358 I370	S209-V372 CarbonylContact O-C 3.57Å; S209-V372 WeakPolarHBondContact O-CA 3.34Å; S209-V372 WeakPolarHBondContact O-CB 3.14Å; F211-V372 HydrophobicContact CD1-CG2 4.37Å; F211-V372 HydrophobicContact CD2-CB 4.37Å; F211-V372 HydrophobicContact CD2-CG2 4.37Å; F211-V372 HydrophobicContact CE1-CB 4.48Å; F211-V372 HydrophobicContact CE1-CG2 3.75Å; F211-V372 HydrophobicContact CE2-CB 4.18Å; F211-V372 HydrophobicContact CE2-CG2 3.74Å; F211-V372 HydrophobicContact CZ-CB 4.25Å; F211-V372 HydrophobicContact CZ-CG2 3.4Å; F211-V372 VanDerWaalsContact CZ-CG2 3.4Å; I214-V372 HydrophobicContact CD1-CG1 3.72Å; F355-V372 VanDerWaalsContact CA-O 3.3Å; F355-V372 WeakPolarHBondContact CA-O 3.46Å; F355-V372 WeakPolarHBondContact CB-O 3.49Å; W356-V372 HydrophobicContact CB-CG2 4.06Å; W356-V372 HydrophobicContact CE3-CG2 4.29Å; W356-V372 PolarHBondContact N-O 2.57Å; W356-V372 VanDerWaalsContact O-CG2 3.29Å; W356-V372 WeakPolarHBondContact O-CG2 3.45Å; W356-V372 PolarHBondContact O-N 3.07Å; V358-V372 HydrophobicContact CG2-CG1 3.96Å; V358-V372 HydrophobicContact CG2-CG2 3.91Å; I370-V372 HydrophobicContact CG2-CG1 4.28Å; I370-V372 PolarHBondContact O-N 3.23Å
373	A	98.2	Very high	94.3	Very high	40 Å²	40	67 Å²	67	33%	0.331	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	135.4	173.3	0	0	0	0	0	109.9	L208 S209 F211	L208-A373 HydrophobicContact CB-CB 4.09Å; L208-A373 HydrophobicContact CD1-CB 4.04Å; S209-A373 PolarHBondContact O-N 3.06Å; F211-A373 WeakPolarHBondContact CD2-O 3.45Å; F211-A373 VanDerWaalsContact CE2-O 3.32Å; F211-A373 WeakPolarHBondContact CE2-O 3.49Å
374	V	98.2	Very high	94.7	Very high	8 Å²	8	60.2 Å²	60.2	5%	0.048	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-102.6	122.6	176.6	176.2	0	0	0	0	108.9	F211 V222 L334 P354 W356 V376	F211-V374 HydrophobicContact CE2-CG2 4.48Å; V222-V374 HydrophobicContact CB-CG1 4.42Å; V222-V374 HydrophobicContact CG2-CG1 3.71Å; L334-V374 HydrophobicContact CD1-CB 4.14Å; L334-V374 HydrophobicContact CD1-CG1 3.9Å; L334-V374 HydrophobicContact CD1-CG2 4.21Å; P354-V374 HydrophobicContact CB-CB 4.17Å; P354-V374 PolarHBondContact O-N 3.06Å; W356-V374 HydrophobicContact CB-CG2 3.52Å; V374-V376 HydrophobicContact CG1-CG1 4.12Å
375	E	97.3	Very high	95	Very high	163 Å²	163	55.6 Å²	55.6	76%	0.762	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-74.9	128.4	170.6	-66	-177.8	-179.7	0	0	109.5	Q218	Q218-E375 PolarHBondContact NE2-O 3.38Å
376	V	97.6	Very high	95.3	Very high	26 Å²	26	55.9 Å²	55.9	16%	0.158	30%	0.295	C	S	.	.			trans	-123.5	143.5	-176.9	-56.4	0	0	0	0	110.5	V222 V224 P354 V374 Y378	V222-V376 HydrophobicContact CB-CB 4.34Å; V222-V376 HydrophobicContact CB-CG1 3.89Å; V222-V376 HydrophobicContact CG1-CB 4.23Å; V222-V376 HydrophobicContact CG1-CG1 3.71Å; V224-V376 HydrophobicContact CG2-CB 4.32Å; V224-V376 HydrophobicContact CG2-CG1 4.43Å; P354-V376 HydrophobicContact CB-CG1 3.81Å; P354-V376 HydrophobicContact CG-CG1 3.71Å; P354-V376 HydrophobicContact CG-CG2 4.12Å; V374-V376 HydrophobicContact CG1-CG1 4.12Å; V376-Y378 HydrophobicContact CG2-CD1 4.08Å; V376-Y378 HydrophobicContact CG2-CE1 3.41Å; V376-Y378 VanDerWaalsContact CG2-CE1 3.41Å; V376-Y378 HydrophobicContact CG2-CE2 4.05Å; V376-Y378 WeakPolarHBondContact CG2-OH 3.22Å
377	T	98.2	Very high	95.5	Very high	96 Å²	96	53 Å²	53	59%	0.589	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.9	168.9	-59.5	0	0	0	0	109.2	V222 A223 V224	V222-T377 PolarHBondContact O-N 2.88Å; A223-T377 CarbonylContact C-O 3.58Å; A223-T377 VanDerWaalsContact CA-O 3.28Å; A223-T377 WeakPolarHBondContact CA-O 3.46Å; V224-T377 PolarHBondContact N-O 3.42Å
378	Y	96.4	Very high	95.7	Very high	133 Å²	133	53.1 Å²	53.1	52%	0.522	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.3	176.6	-60.2	-59.6	0	0	0	110.8	V224 L229 V376	V224-Y378 HydrophobicContact CB-CD1 4.49Å; L229-Y378 HydrophobicContact CD1-CD1 3.53Å; L229-Y378 HydrophobicContact CD1-CE1 3.72Å; L229-Y378 HydrophobicContact CD1-CG 4.4Å; L229-Y378 HydrophobicContact CD2-CE1 4.24Å; V376-Y378 HydrophobicContact CG2-CD1 4.08Å; V376-Y378 HydrophobicContact CG2-CE1 3.41Å; V376-Y378 VanDerWaalsContact CG2-CE1 3.41Å; V376-Y378 HydrophobicContact CG2-CE2 4.05Å; V376-Y378 WeakPolarHBondContact CG2-OH 3.22Å
379	V	97.8	Very high	95.9	Very high	70 Å²	70	54.4 Å²	54.4	42%	0.424	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	108.6	179.7	-177.9	0	0	0	0	108.6	A223 V224 S225 S226 D381	A223-V379 HydrophobicContact CB-CG2 3.98Å; V224-V379 PolarHBondContact O-N 3.23Å; S225-V379 CarbonylContact C-O 3.55Å; S225-V379 WeakPolarHBondContact CA-O 3.39Å; S226-V379 PolarHBondContact N-O 3.18Å; V379-D381 PolarHBondContact O-N 3.06Å
380	Q	97.3	Very high	96	Very high	100 Å²	100	58.9 Å²	58.9	47%	0.467	31%	0.313	S	S	.	.			trans	-74	118.9	178.1	-165.6	-177.1	27.2	0	0	110.8	A430 K432	Q380-A430 PolarHBondContact NE2-O 3.41Å; Q380-K432 HydrophobicContact CG-CG 3.97Å
381	D	97.1	Very high	96	Very high	41 Å²	41	59.4 Å²	59.4	22%	0.219	32%	0.315	C	S	.	.			trans	-68.5	153.1	176.1	-71.2	-78	0	0	0	111.8	S225 S226 N227 V379 P431 K432	S225-D381 WeakPolarHBondContact CB-OD2 3.22Å; S225-D381 PolarHBondContact OG-OD2 3.41Å; S226-D381 PolarHBondContact N-OD2 3.34Å; S226-D381 VanDerWaalsContact N-OD2 3.1Å; S226-D381 PolarHBondContact OG-N 3.38Å; S226-D381 PolarHBondContact OG-OD2 2.96Å; N227-D381 WeakPolarHBondContact CB-OD2 3.33Å; N227-D381 PolarHBondContact N-OD2 2.99Å; N227-D381 WeakPolarHBondContact ND2-CB 3.45Å; N227-D381 VanDerWaalsContact ND2-CG 3.27Å; N227-D381 PolarHBondContact ND2-OD2 3.5Å; V379-D381 PolarHBondContact O-N 3.06Å; D381-P431 HydrophobicContact CB-CB 4.35Å; D381-P431 CarbonylContact O-C 3.56Å; D381-P431 VanDerWaalsContact O-CA 3.3Å; D381-P431 WeakPolarHBondContact O-CA 3.2Å; D381-P431 WeakPolarHBondContact O-CB 3.43Å; D381-K432 PolarHBondContact O-N 3.28Å
382	N	96.3	Very high	96	Very high	96 Å²	96	59.4 Å²	59.4	51%	0.513	32%	0.315	S	S	.	.	S	Bend	trans	-71.2	-35	177.7	-67.6	-27.9	0	0	0	112	K432 D433	N382-K432 PolarHBondContact OD1-NZ 3.47Å; N382-D433 WeakPolarHBondContact O-CB 3.36Å; N382-D433 PolarHBondContact O-N 3.22Å
383	F	95.4	Very high	96	Very high	117 Å²	117	61.4 Å²	61.4	51%	0.513	32%	0.324	S	S	.	.	S	Bend	trans	-149.3	161.1	-176.3	53.5	-92.6	0	0	0	111.6	N227 T385 D433	N227-F383 PolarHBondContact ND2-O 2.91Å; F383-T385 HydrophobicContact CD2-CG2 4.25Å; F383-T385 HydrophobicContact CE2-CG2 3.92Å; F383-T385 PolarHBondContact O-N 3.09Å; F383-D433 HydrophobicContact CB-CB 4.31Å
384	L	93.6	Very high	95.9	Very high	17 Å²	17	63.2 Å²	63.2	9%	0.089	33%	0.328	C	S	.	.			trans	-77.2	116.5	169.9	-174.3	68	0	0	0	108.7	L230 V388 P431 I439 L440	L230-L384 HydrophobicContact CD1-CD1 4.18Å; L230-L384 HydrophobicContact CD2-CD1 4.04Å; L384-V388 HydrophobicContact CD1-CB 4.1Å; L384-V388 HydrophobicContact CD1-CG1 3.61Å; L384-P431 HydrophobicContact CB-CG 4.16Å; L384-I439 HydrophobicContact CD2-CB 4.31Å; L384-I439 HydrophobicContact CD2-CG2 3.79Å; L384-L440 HydrophobicContact CD2-CD2 4.28Å
385	T	91.6	Very high	95.9	Very high	24 Å²	24	62.8 Å²	62.8	15%	0.147	33%	0.326	C	S	.	.			trans	-71.7	146.6	-178.4	69.8	0	0	0	0	111.6	R262 F383 D387 V388 L389	R262-T385 PolarHBondContact NH1-OG1 3.11Å; F383-T385 HydrophobicContact CD2-CG2 4.25Å; F383-T385 HydrophobicContact CE2-CG2 3.92Å; F383-T385 PolarHBondContact O-N 3.09Å; T385-D387 PolarHBondContact O-N 3.27Å; T385-V388 PolarHBondContact O-N 2.96Å; T385-V388 VanDerWaalsContact OG1-CG2 3.26Å; T385-V388 WeakPolarHBondContact OG1-CG2 3.39Å; T385-V388 PolarHBondContact OG1-N 2.89Å; T385-L389 PolarHBondContact O-N 2.91Å
386	S	91.7	Very high	95.9	Very high	92 Å²	92	55.2 Å²	55.2	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-56.9	-34.7	175.2	-50.8	0	0	0	0	112.8	V388 L389 N390	S386-V388 VanDerWaalsContact C-N 3.34Å; S386-V388 PolarHBondContact O-N 2.76Å; S386-L389 PolarHBondContact O-N 3.5Å; S386-N390 WeakPolarHBondContact O-CB 3.33Å; S386-N390 PolarHBondContact O-N 2.95Å; S386-N390 PolarHBondContact O-ND2 3.41Å
387	D	91.9	Very high	95.8	Very high	51 Å²	51	57.5 Å²	57.5	27%	0.273	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-45.3	172.9	-71.2	-42	0	0	0	112.4	R262 R290 T385 N390 E391	R262-D387 IonicContact CZ-OD2 3.39Å; R262-D387 IonicContact NH1-OD2 3.68Å; R262-D387 PolarHBondContact NH1-OD2 3.44Å; R262-D387 IonicContact NH2-OD2 3.04Å; R262-D387 PolarHBondContact NH2-OD2 3.17Å; R290-D387 IonicContact CZ-OD1 3.5Å; R290-D387 IonicContact CZ-OD2 3.21Å; R290-D387 IonicContact NH1-OD1 2.78Å; R290-D387 IonicContact NH1-OD2 3.5Å; R290-D387 PolarHBondContact NH1-OD2 3.23Å; R290-D387 IonicContact NH2-OD1 3.3Å; R290-D387 PolarHBondContact NH2-OD1 2.98Å; R290-D387 IonicContact NH2-OD2 3.49Å; R290-D387 PolarHBondContact NH2-OD2 3.31Å; T385-D387 PolarHBondContact O-N 3.27Å; D387-N390 PolarHBondContact O-N 3.07Å; D387-E391 WeakPolarHBondContact O-CG 3.44Å; D387-E391 PolarHBondContact O-N 2.91Å
388	V	95.1	Very high	95.7	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-42.8	179.8	170.3	0	0	0	0	110.2	N227 L230 L231 L384 T385 S386 N390 E391 M392	N227-V388 HydrophobicContact CB-CG2 4.08Å; L230-V388 HydrophobicContact CD2-CG1 4.13Å; L231-V388 HydrophobicContact CB-CG1 4.19Å; L384-V388 HydrophobicContact CD1-CB 4.1Å; L384-V388 HydrophobicContact CD1-CG1 3.61Å; T385-V388 PolarHBondContact O-N 2.96Å; T385-V388 VanDerWaalsContact OG1-CG2 3.26Å; T385-V388 WeakPolarHBondContact OG1-CG2 3.39Å; T385-V388 PolarHBondContact OG1-N 2.89Å; S386-V388 VanDerWaalsContact C-N 3.34Å; S386-V388 PolarHBondContact O-N 2.76Å; V388-N390 VanDerWaalsContact C-N 3.33Å; V388-N390 PolarHBondContact O-N 2.8Å; V388-E391 PolarHBondContact O-N 3.43Å; V388-M392 HydrophobicContact CG1-CG 4.48Å; V388-M392 HydrophobicContact CG1-SD 4.32Å; V388-M392 VanDerWaalsContact O-CG 3.3Å; V388-M392 WeakPolarHBondContact O-CG 3.36Å; V388-M392 PolarHBondContact O-N 3.01Å
389	L	95.2	Very high	95.7	Very high	44 Å²	44	50.1 Å²	50.1	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-45.5	174.7	177.3	59.5	0	0	0	111.6	T385 S386 E391 M392 M393 I439 V443	T385-L389 PolarHBondContact O-N 2.91Å; S386-L389 PolarHBondContact O-N 3.5Å; L389-E391 VanDerWaalsContact C-N 3.35Å; L389-E391 PolarHBondContact O-N 2.82Å; L389-M392 WeakPolarHBondContact O-CB 3.28Å; L389-M392 PolarHBondContact O-N 3.27Å; L389-M393 HydrophobicContact CD1-CG 4.37Å; L389-M393 WeakPolarHBondContact O-CG 3.33Å; L389-M393 PolarHBondContact O-N 3.43Å; L389-I439 HydrophobicContact CD1-CG2 3.46Å; L389-I439 VanDerWaalsContact CD1-CG2 3.46Å; L389-I439 HydrophobicContact CD2-CG2 3.62Å; L389-I439 HydrophobicContact CG-CG2 4.04Å; L389-V443 HydrophobicContact CD1-CG2 3.65Å
390	N	95.8	Very high	95.5	Very high	94 Å²	94	51.8 Å²	51.8	50%	0.503	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-44.7	177.6	-70.3	-20.7	0	0	0	111.3	S386 D387 V388 M392 M393 L394	S386-N390 WeakPolarHBondContact O-CB 3.33Å; S386-N390 PolarHBondContact O-N 2.95Å; S386-N390 PolarHBondContact O-ND2 3.41Å; D387-N390 PolarHBondContact O-N 3.07Å; V388-N390 VanDerWaalsContact C-N 3.33Å; V388-N390 PolarHBondContact O-N 2.8Å; N390-M392 VanDerWaalsContact C-N 3.35Å; N390-M392 PolarHBondContact O-N 2.99Å; N390-M393 PolarHBondContact O-N 3.14Å; N390-L394 WeakPolarHBondContact O-CG 3.17Å; N390-L394 PolarHBondContact O-N 3.49Å
391	E	96.9	Very high	95.1	Very high	32 Å²	32	53.1 Å²	53.1	15%	0.15	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-41	175.4	-70.5	-63.8	158.2	0	0	112.2	L231 R267 D387 V388 L389 M393 L394 L395	L231-E391 HydrophobicContact CD1-CB 3.88Å; L231-E391 HydrophobicContact CD2-CB 3.76Å; L231-E391 HydrophobicContact CD2-CG 4.17Å; R267-E391 IonicContact CZ-OE2 2.76Å; R267-E391 IonicContact NH1-OE2 2.95Å; R267-E391 PolarHBondContact NH1-OE2 2.93Å; D387-E391 WeakPolarHBondContact O-CG 3.44Å; D387-E391 PolarHBondContact O-N 2.91Å; V388-E391 PolarHBondContact O-N 3.43Å; L389-E391 VanDerWaalsContact C-N 3.35Å; L389-E391 PolarHBondContact O-N 2.82Å; E391-M393 VanDerWaalsContact C-N 3.33Å; E391-M393 PolarHBondContact O-N 3.39Å; E391-L394 PolarHBondContact O-N 3.43Å; E391-L395 WeakPolarHBondContact O-CB 3.35Å; E391-L395 VanDerWaalsContact O-CG 3.32Å; E391-L395 WeakPolarHBondContact O-CG 3.46Å; E391-L395 PolarHBondContact O-N 2.98Å
392	M	97.7	Very high	94.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-43.8	174.6	-68.6	178.2	79.8	0	0	111.4	L230 L231 F234 V388 L389 N390 L395 V396 L440 V443	L230-M392 HydrophobicContact CD2-CE 4.18Å; L230-M392 HydrophobicContact CD2-SD 3.7Å; L231-M392 HydrophobicContact CD1-CG 3.71Å; F234-M392 HydrophobicContact CB-CE 4.08Å; F234-M392 HydrophobicContact CD1-CB 4.06Å; F234-M392 HydrophobicContact CD1-CE 3.86Å; F234-M392 HydrophobicContact CD1-CG 3.77Å; F234-M392 HydrophobicContact CD2-CE 3.44Å; F234-M392 VanDerWaalsContact CD2-CE 3.44Å; F234-M392 HydrophobicContact CE1-CB 3.72Å; F234-M392 HydrophobicContact CE1-CE 4.09Å; F234-M392 HydrophobicContact CE1-CG 3.97Å; F234-M392 WeakPolarHBondContact CE1-O 3.22Å; F234-M392 HydrophobicContact CE2-CE 3.68Å; F234-M392 HydrophobicContact CG-CE 3.51Å; F234-M392 HydrophobicContact CG-CG 4.3Å; F234-M392 HydrophobicContact CZ-CB 4.27Å; F234-M392 HydrophobicContact CZ-CE 4.01Å; V388-M392 HydrophobicContact CG1-CG 4.48Å; V388-M392 HydrophobicContact CG1-SD 4.32Å; V388-M392 VanDerWaalsContact O-CG 3.3Å; V388-M392 WeakPolarHBondContact O-CG 3.36Å; V388-M392 PolarHBondContact O-N 3.01Å; L389-M392 WeakPolarHBondContact O-CB 3.28Å; L389-M392 PolarHBondContact O-N 3.27Å; N390-M392 VanDerWaalsContact C-N 3.35Å; N390-M392 PolarHBondContact O-N 2.99Å; M392-L395 WeakPolarHBondContact O-CB 3.34Å; M392-L395 PolarHBondContact O-N 3.1Å; M392-V396 WeakPolarHBondContact O-CG2 3.05Å; M392-V396 PolarHBondContact O-N 3.43Å; M392-L440 HydrophobicContact CE-CD2 3.58Å; M392-L440 HydrophobicContact SD-CD2 3.89Å; M392-V443 HydrophobicContact CB-CG1 4.46Å; M392-V443 HydrophobicContact CE-CB 4.48Å; M392-V443 HydrophobicContact CE-CG1 3.95Å; M392-V443 HydrophobicContact CE-CG2 4.41Å
393	M	97.3	Very high	94.7	Very high	41 Å²	41	53.6 Å²	53.6	20%	0.202	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-41.6	178.3	-67.3	-59.7	-60.3	0	0	112.3	L389 N390 E391 L395 V396 D397 V443 Q446	L389-M393 HydrophobicContact CD1-CG 4.37Å; L389-M393 WeakPolarHBondContact O-CG 3.33Å; L389-M393 PolarHBondContact O-N 3.43Å; N390-M393 PolarHBondContact O-N 3.14Å; E391-M393 VanDerWaalsContact C-N 3.33Å; E391-M393 PolarHBondContact O-N 3.39Å; M393-L395 PolarHBondContact O-N 3.16Å; M393-V396 WeakPolarHBondContact O-CB 3.28Å; M393-V396 PolarHBondContact O-N 2.87Å; M393-V396 VanDerWaalsContact O-N 3.14Å; M393-D397 PolarHBondContact O-N 2.69Å; M393-V443 HydrophobicContact SD-CG2 4.16Å; M393-Q446 HydrophobicContact CE-CG 4.09Å
394	L	96.8	Very high	94.7	Very high	78 Å²	78	49 Å²	49	41%	0.408	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-36.7	173.7	-71.8	173.4	0	0	0	112	N390 E391 Y398	N390-L394 WeakPolarHBondContact O-CG 3.17Å; N390-L394 PolarHBondContact O-N 3.49Å; E391-L394 PolarHBondContact O-N 3.43Å; L394-Y398 VanDerWaalsContact O-CB 3.25Å; L394-Y398 WeakPolarHBondContact O-CB 3.25Å; L394-Y398 PolarHBondContact O-N 3.46Å
395	L	97.8	Very high	94.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-42.9	174	-76.1	175.8	0	0	0	112.3	L231 F234 H235 L238 P265 R267 E391 M392 M393 D397 Y398 Y399	L231-L395 HydrophobicContact CD1-CD1 4Å; F234-L395 HydrophobicContact CD1-CD1 3.97Å; F234-L395 HydrophobicContact CE1-CB 4.1Å; F234-L395 HydrophobicContact CE1-CD1 4.23Å; H235-L395 HydrophobicContact CB-CD1 3.85Å; L238-L395 HydrophobicContact CD1-CB 3.62Å; L238-L395 HydrophobicContact CD1-CD1 4.4Å; L238-L395 HydrophobicContact CD1-CG 4.48Å; P265-L395 HydrophobicContact CB-CD1 4.02Å; P265-L395 HydrophobicContact CB-CD2 3.73Å; P265-L395 HydrophobicContact CB-CG 4.22Å; P265-L395 HydrophobicContact CG-CD1 3.84Å; P265-L395 HydrophobicContact CG-CD2 4.43Å; P265-L395 HydrophobicContact CG-CG 4.4Å; R267-L395 HydrophobicContact CG-CD2 4.1Å; E391-L395 WeakPolarHBondContact O-CB 3.35Å; E391-L395 VanDerWaalsContact O-CG 3.32Å; E391-L395 WeakPolarHBondContact O-CG 3.46Å; E391-L395 PolarHBondContact O-N 2.98Å; M392-L395 WeakPolarHBondContact O-CB 3.34Å; M392-L395 PolarHBondContact O-N 3.1Å; M393-L395 PolarHBondContact O-N 3.16Å; L395-D397 VanDerWaalsContact C-N 3.31Å; L395-D397 PolarHBondContact O-N 2.77Å; L395-Y398 PolarHBondContact O-N 2.75Å; L395-Y399 HydrophobicContact CD2-CD2 4.42Å; L395-Y399 HydrophobicContact CD2-CE2 3.98Å; L395-Y399 VanDerWaalsContact O-CD2 3.31Å; L395-Y399 WeakPolarHBondContact O-CD2 3.4Å; L395-Y399 PolarHBondContact O-N 2.94Å
396	V	96.9	Very high	95	Very high	3 Å²	3	49 Å²	49	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-56.4	-48.5	173.9	172.7	0	0	0	0	110.4	F234 M392 M393 Y399 R400 V443 Q446 L447	F234-V396 HydrophobicContact CE1-CG2 4.41Å; F234-V396 HydrophobicContact CZ-CG2 3.82Å; M392-V396 WeakPolarHBondContact O-CG2 3.05Å; M392-V396 PolarHBondContact O-N 3.43Å; M393-V396 WeakPolarHBondContact O-CB 3.28Å; M393-V396 PolarHBondContact O-N 2.87Å; M393-V396 VanDerWaalsContact O-N 3.14Å; V396-Y399 PolarHBondContact O-N 3.34Å; V396-R400 WeakPolarHBondContact O-CB 3.23Å; V396-R400 PolarHBondContact O-N 2.82Å; V396-V443 HydrophobicContact CG2-CG1 4.16Å; V396-Q446 HydrophobicContact CG1-CB 3.96Å; V396-L447 HydrophobicContact CG1-CD2 4.39Å; V396-L447 HydrophobicContact CG2-CD2 3.82Å; V396-L447 HydrophobicContact CG2-CG 4.45Å
397	D	95.9	Very high	95.1	Very high	75 Å²	75	50.2 Å²	50.2	40%	0.401	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-42.9	179.8	-73.4	-32.9	0	0	0	112.1	M393 L395 Y399 R400	M393-D397 PolarHBondContact O-N 2.69Å; L395-D397 VanDerWaalsContact C-N 3.31Å; L395-D397 PolarHBondContact O-N 2.77Å; D397-Y399 PolarHBondContact O-N 3.06Å; D397-R400 WeakPolarHBondContact O-CB 3.43Å; D397-R400 PolarHBondContact O-N 2.88Å; D397-R400 IonicContact OD1-CZ 3.75Å; D397-R400 IonicContact OD1-NH1 3.41Å; D397-R400 PolarHBondContact OD1-NH1 2.76Å; D397-R400 IonicContact OD1-NH2 3.95Å; D397-R400 PolarHBondContact OD1-NH2 3.47Å
398	Y	95.4	Very high	95.3	Very high	67 Å²	67	48.1 Å²	48.1	26%	0.263	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-42.9	178.5	174.2	-103.3	0	0	0	112.4	R267 T268 L394 L395	R267-Y398 HydrophobicContact CB-CD1 4.26Å; R267-Y398 HydrophobicContact CB-CD2 3.85Å; R267-Y398 HydrophobicContact CB-CE1 4.41Å; R267-Y398 HydrophobicContact CB-CE2 4.02Å; R267-Y398 HydrophobicContact CB-CG 3.98Å; R267-Y398 HydrophobicContact CG-CD1 4.31Å; R267-Y398 HydrophobicContact CG-CD2 4.42Å; R267-Y398 HydrophobicContact CG-CG 4.08Å; R267-Y398 WeakPolarHBondContact O-CE2 3.41Å; T268-Y398 VanDerWaalsContact CA-OH 3.23Å; T268-Y398 WeakPolarHBondContact CA-OH 3.34Å; T268-Y398 PolarHBondContact N-OH 3.15Å; T268-Y398 PolarHBondContact O-OH 2.81Å; L394-Y398 VanDerWaalsContact O-CB 3.25Å; L394-Y398 WeakPolarHBondContact O-CB 3.25Å; L394-Y398 PolarHBondContact O-N 3.46Å; L395-Y398 PolarHBondContact O-N 2.75Å
399	Y	95.7	Very high	95.2	Very high	6 Å²	6	52.8 Å²	52.8	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-86.7	-8.2	-179.1	-75.2	-72.6	0	0	0	114.1	H235 L238 T239 V243 L395 V396 D397 T401 A402	H235-Y399 AromaticContact CD2-CE2 3.71Å; H235-Y399 AromaticContact NE2-CE2 3.69Å; H235-Y399 AromaticContact NE2-CZ 3.85Å; H235-Y399 PolarHBondContact NE2-OH 2.91Å; H235-Y399 VanDerWaalsContact NE2-OH 3.1Å; L238-Y399 HydrophobicContact CB-CD2 3.78Å; L238-Y399 HydrophobicContact CB-CE2 4.23Å; L238-Y399 HydrophobicContact CB-CG 4.06Å; L238-Y399 HydrophobicContact CD1-CD2 3.59Å; L238-Y399 HydrophobicContact CD1-CE2 4.15Å; L238-Y399 HydrophobicContact CD1-CG 4.46Å; L238-Y399 HydrophobicContact CG-CD2 4.36Å; T239-Y399 HydrophobicContact CG2-CD1 4.44Å; T239-Y399 HydrophobicContact CG2-CE1 3.68Å; V243-Y399 VanDerWaalsContact CG1-OH 3.25Å; V243-Y399 WeakPolarHBondContact CG1-OH 3.13Å; L395-Y399 HydrophobicContact CD2-CD2 4.42Å; L395-Y399 HydrophobicContact CD2-CE2 3.98Å; L395-Y399 VanDerWaalsContact O-CD2 3.31Å; L395-Y399 WeakPolarHBondContact O-CD2 3.4Å; L395-Y399 PolarHBondContact O-N 2.94Å; V396-Y399 PolarHBondContact O-N 3.34Å; D397-Y399 PolarHBondContact O-N 3.06Å; Y399-T401 PolarHBondContact O-N 2.82Å; Y399-A402 HydrophobicContact CD1-CB 3.87Å; Y399-A402 WeakPolarHBondContact O-CB 3.4Å; Y399-A402 PolarHBondContact O-N 2.84Å
400	R	93.5	Very high	95.1	Very high	105 Å²	105	55.4 Å²	55.4	40%	0.396	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-39.2	-174.7	-176.1	179	-76.9	140	6.8	113.4	V396 D397 T450	V396-R400 WeakPolarHBondContact O-CB 3.23Å; V396-R400 PolarHBondContact O-N 2.82Å; D397-R400 WeakPolarHBondContact O-CB 3.43Å; D397-R400 PolarHBondContact O-N 2.88Å; D397-R400 IonicContact OD1-CZ 3.75Å; D397-R400 IonicContact OD1-NH1 3.41Å; D397-R400 PolarHBondContact OD1-NH1 2.76Å; D397-R400 IonicContact OD1-NH2 3.95Å; D397-R400 PolarHBondContact OD1-NH2 3.47Å; R400-T450 HydrophobicContact CB-CG2 4.43Å; R400-T450 HydrophobicContact CG-CG2 3.78Å; R400-T450 VanDerWaalsContact O-CG2 3.24Å; R400-T450 WeakPolarHBondContact O-CG2 3.42Å
401	T	89.7	Confident	95	Very high	128 Å²	128	58.9 Å²	58.9	79%	0.785	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	14.8	-178.6	64.2	0	0	0	0	112.8	Y399	Y399-T401 PolarHBondContact O-N 2.82Å
402	A	92.6	Very high	94.8	Very high	13 Å²	13	59.1 Å²	59.1	11%	0.107	30%	0.295	C	S	.	.			trans	-71.3	128.6	179.8	0	0	0	0	0	110.2	Y399 D404 L405	Y399-A402 HydrophobicContact CD1-CB 3.87Å; Y399-A402 WeakPolarHBondContact O-CB 3.4Å; Y399-A402 PolarHBondContact O-N 2.84Å; A402-D404 WeakPolarHBondContact CB-OD1 3.19Å; A402-D404 PolarHBondContact O-N 2.76Å; A402-D404 VanDerWaalsContact O-N 3.14Å; A402-L405 HydrophobicContact CB-CB 4.24Å; A402-L405 VanDerWaalsContact O-CB 3.29Å; A402-L405 WeakPolarHBondContact O-CB 3.3Å; A402-L405 PolarHBondContact O-N 2.83Å; A402-L405 VanDerWaalsContact O-N 3.13Å
403	P	92.8	Very high	94.3	Very high	134 Å²	134	61.3 Å²	61.3	87%	0.87	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.1	-179.3	28	-36.1	0	0	0	113.1
404	D	94.5	Very high	93.9	Very high	22 Å²	22	65.3 Å²	65.3	12%	0.118	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	15.9	-179	59.7	-20.3	0	0	0	112.5	T239 T240 S241 R269 A402	T239-D404 CarbonylContact C-O 3.54Å; T239-D404 WeakPolarHBondContact CA-O 3.36Å; T239-D404 PolarHBondContact OG1-O 2.96Å; T239-D404 PolarHBondContact OG1-OD2 3.26Å; T239-D404 VanDerWaalsContact OG1-OD2 3.07Å; T240-D404 PolarHBondContact N-O 3.26Å; T240-D404 PolarHBondContact OG1-O 3.46Å; T240-D404 VanDerWaalsContact OG1-O 3.13Å; S241-D404 WeakPolarHBondContact CB-OD2 3.23Å; S241-D404 PolarHBondContact OG-OD2 3.3Å; R269-D404 IonicContact CZ-OD1 3.75Å; R269-D404 VanDerWaalsContact CZ-OD1 3.31Å; R269-D404 IonicContact CZ-OD2 3.81Å; R269-D404 IonicContact NH1-OD1 3.47Å; R269-D404 PolarHBondContact NH1-OD1 3.16Å; R269-D404 IonicContact NH1-OD2 3.02Å; R269-D404 PolarHBondContact NH1-OD2 3.09Å; R269-D404 IonicContact NH2-OD1 3.9Å; R269-D404 PolarHBondContact NH2-OD1 2.93Å; R269-D404 IonicContact NH2-OD2 2.7Å; A402-D404 WeakPolarHBondContact CB-OD1 3.19Å; A402-D404 PolarHBondContact O-N 2.76Å; A402-D404 VanDerWaalsContact O-N 3.14Å
405	L	95.8	Very high	93.5	Very high	31 Å²	31	70.1 Å²	70.1	16%	0.162	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-55.9	136.2	169.1	177.9	61.2	0	0	0	109.8	L238 A402 Q407 F408 T450	L238-L405 WeakPolarHBondContact O-CA 3.38Å; L238-L405 WeakPolarHBondContact O-CD1 3.45Å; A402-L405 HydrophobicContact CB-CB 4.24Å; A402-L405 VanDerWaalsContact O-CB 3.29Å; A402-L405 WeakPolarHBondContact O-CB 3.3Å; A402-L405 PolarHBondContact O-N 2.83Å; A402-L405 VanDerWaalsContact O-N 3.13Å; L405-Q407 PolarHBondContact O-N 3.38Å; L405-F408 HydrophobicContact CD1-CE2 3.75Å; L405-F408 HydrophobicContact CD1-CZ 4.07Å; L405-F408 HydrophobicContact CG-CE2 4.24Å; L405-T450 HydrophobicContact CD2-CG2 3.43Å; L405-T450 VanDerWaalsContact CD2-CG2 3.43Å
406	V	95.9	Very high	93.3	Very high	8 Å²	8	71.5 Å²	71.5	5%	0.048	37%	0.367	C	S	.	.			trans	-64.4	132.7	175.7	169.7	0	0	0	0	110	H237 L238 T240 Y341 F408 M418	H237-V406 VanDerWaalsContact O-CG2 3.26Å; H237-V406 WeakPolarHBondContact O-CG2 3.29Å; L238-V406 PolarHBondContact O-N 3.09Å; T240-V406 HydrophobicContact CG2-CG2 3.96Å; Y341-V406 HydrophobicContact CE2-CG2 4.15Å; V406-F408 HydrophobicContact CB-CE1 4.1Å; V406-F408 HydrophobicContact CB-CZ 4.22Å; V406-F408 HydrophobicContact CG1-CD1 4.14Å; V406-F408 HydrophobicContact CG1-CE1 4.12Å; V406-F408 VanDerWaalsContact O-CD2 3.22Å; V406-F408 WeakPolarHBondContact O-CD2 3.38Å; V406-F408 VanDerWaalsContact O-CE2 3.29Å; V406-F408 WeakPolarHBondContact O-CE2 3.34Å; V406-F408 PolarHBondContact O-N 3.1Å; V406-M418 HydrophobicContact CG1-CB 3.86Å; V406-M418 HydrophobicContact CG1-CG 3.93Å; V406-M418 HydrophobicContact CG1-SD 4.23Å
407	Q	94.4	Very high	93.3	Very high	119 Å²	119	72.5 Å²	72.5	56%	0.556	37%	0.373	S	S	*	.			trans	-80.6	90.6	176.1	-65.5	-178.8	-41.5	0	0	109.3	L405 N409 Q410	L405-Q407 PolarHBondContact O-N 3.38Å; Q407-N409 PolarHBondContact O-N 3.37Å; Q407-N409 VanDerWaalsContact O-N 3.11Å; Q407-Q410 HydrophobicContact CB-CB 4.41Å; Q407-Q410 HydrophobicContact CB-CG 3.78Å; Q407-Q410 WeakPolarHBondContact O-CB 3.33Å; Q407-Q410 PolarHBondContact O-N 3.42Å
408	F	95.3	Very high	93.3	Very high	7 Å²	7	70.1 Å²	70.1	3%	0.031	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.5	-169.4	-63.7	-70.9	0	0	0	114.9	L238 L405 V406 Q410 L419 L447	L238-F408 HydrophobicContact CD2-CZ 3.95Å; L405-F408 HydrophobicContact CD1-CE2 3.75Å; L405-F408 HydrophobicContact CD1-CZ 4.07Å; L405-F408 HydrophobicContact CG-CE2 4.24Å; V406-F408 HydrophobicContact CB-CE1 4.1Å; V406-F408 HydrophobicContact CB-CZ 4.22Å; V406-F408 HydrophobicContact CG1-CD1 4.14Å; V406-F408 HydrophobicContact CG1-CE1 4.12Å; V406-F408 VanDerWaalsContact O-CD2 3.22Å; V406-F408 WeakPolarHBondContact O-CD2 3.38Å; V406-F408 VanDerWaalsContact O-CE2 3.29Å; V406-F408 WeakPolarHBondContact O-CE2 3.34Å; V406-F408 PolarHBondContact O-N 3.1Å; F408-Q410 VanDerWaalsContact C-N 3.31Å; F408-L419 HydrophobicContact CB-CB 4.18Å; F408-L419 HydrophobicContact CB-CD1 4.5Å; F408-L419 WeakPolarHBondContact O-CB 3.43Å; F408-L419 PolarHBondContact O-N 2.78Å; F408-L447 HydrophobicContact CD1-CD1 4.42Å; F408-L447 HydrophobicContact CD2-CB 3.87Å; F408-L447 HydrophobicContact CE1-CD1 3.99Å; F408-L447 HydrophobicContact CE2-CB 3.94Å; F408-L447 HydrophobicContact CE2-CD1 4.33Å; F408-L447 HydrophobicContact CE2-CD2 3.72Å; F408-L447 HydrophobicContact CE2-CG 4.21Å; F408-L447 HydrophobicContact CG-CB 4.27Å; F408-L447 HydrophobicContact CZ-CB 4.39Å; F408-L447 HydrophobicContact CZ-CD1 3.94Å; F408-L447 HydrophobicContact CZ-CD2 3.81Å; F408-L447 HydrophobicContact CZ-CG 4.28Å
409	N	93.4	Very high	93.3	Very high	101 Å²	101	68 Å²	68	54%	0.54	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.5	177.5	-62.3	-33.4	0	0	0	113.7	Q407	Q407-N409 PolarHBondContact O-N 3.37Å; Q407-N409 VanDerWaalsContact O-N 3.11Å
410	Q	93.9	Very high	93.3	Very high	100 Å²	100	71.3 Å²	71.3	47%	0.467	37%	0.371	S	S	.	.	S	Bend	trans	-78.8	153.1	176.2	-71.1	-170.8	-16.9	0	0	112	Q407 F408 T417 M418	Q407-Q410 HydrophobicContact CB-CB 4.41Å; Q407-Q410 HydrophobicContact CB-CG 3.78Å; Q407-Q410 WeakPolarHBondContact O-CB 3.33Å; Q407-Q410 PolarHBondContact O-N 3.42Å; F408-Q410 VanDerWaalsContact C-N 3.31Å; Q410-T417 CarbonylContact O-C 3.54Å; Q410-T417 VanDerWaalsContact O-CA 3.28Å; Q410-T417 WeakPolarHBondContact O-CA 3.49Å; Q410-M418 WeakPolarHBondContact O-CG 3.38Å; Q410-M418 PolarHBondContact O-N 2.61Å
411	Y	93.6	Very high	93.4	Very high	166 Å²	166	66.3 Å²	66.3	65%	0.651	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.5	174.5	-71.1	-82.2	0	0	0	110.9	T417	Y411-T417 HydrophobicContact CD1-CG2 4.31Å; Y411-T417 HydrophobicContact CE1-CG2 4.19Å
412	W	91.5	Very high	93.8	Very high	38 Å²	38	60.2 Å²	60.2	14%	0.144	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-44	167.5	170.4	55.4	0	0	0	110.5	Y341 G347 V348 T416 M418 K421	Y341-W412 AromaticContact CD1-CD1 3.92Å; Y341-W412 HydrophobicContact CD1-CG 4.43Å; G347-W412 VanDerWaalsContact O-CH2 3.3Å; G347-W412 WeakPolarHBondContact O-CH2 3.47Å; V348-W412 HydrophobicContact CG1-CZ3 4.09Å; W412-T416 HydrophobicContact CE3-CG2 4Å; W412-T416 HydrophobicContact CZ3-CG2 4.45Å; W412-T416 PolarHBondContact N-O 3Å; W412-M418 HydrophobicContact CB-CE 4.04Å; W412-M418 HydrophobicContact CB-CG 4.39Å; W412-M418 HydrophobicContact CB-SD 3.76Å; W412-M418 HydrophobicContact CG-CE 4.49Å; W412-M418 HydrophobicContact CG-SD 4.26Å; W412-K421 HydrophobicContact CD2-CB 4.28Å; W412-K421 HydrophobicContact CD2-CG 3.75Å; W412-K421 HydrophobicContact CE3-CB 3.93Å; W412-K421 HydrophobicContact CE3-CG 3.57Å; W412-K421 HydrophobicContact CG-CG 4.3Å; W412-K421 HydrophobicContact CH2-CG 4.41Å; W412-K421 HydrophobicContact CZ3-CG 3.93Å
413	C	88.3	Confident	93.9	Very high	46 Å²	46	62.2 Å²	62.2	31%	0.311	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	170.4	168.7	79	0	0	0	0	109.4	E415 T416	C413-E415 PolarHBondContact O-N 2.83Å; C413-T416 PolarHBondContact N-O 3.24Å; C413-T416 PolarHBondContact O-N 3Å; C413-T416 VanDerWaalsContact O-N 3.09Å; C413-T416 VanDerWaalsContact O-O 3.12Å; C413-T416 VanDerWaalsContact SG-CB 3.51Å
414	P	87.6	Confident	94.1	Very high	124 Å²	124	56.7 Å²	56.7	81%	0.805	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.2	-170.1	-30	36.5	0	0	0	116.3
415	E	89.8	Confident	94.2	Very high	179 Å²	179	55.7 Å²	55.7	84%	0.836	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	0.8	-176.1	-61.9	-179.4	-179.3	0	0	113.6	C413	C413-E415 PolarHBondContact O-N 2.83Å
416	T	93.3	Very high	94.2	Very high	29 Å²	29	54.2 Å²	54.2	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	121.1	-170.7	-53	0	0	0	0	110.3	V348 W412 C413 D420 K421	V348-T416 HydrophobicContact CG1-CG2 4.26Å; W412-T416 HydrophobicContact CE3-CG2 4Å; W412-T416 HydrophobicContact CZ3-CG2 4.45Å; W412-T416 PolarHBondContact N-O 3Å; C413-T416 PolarHBondContact N-O 3.24Å; C413-T416 PolarHBondContact O-N 3Å; C413-T416 VanDerWaalsContact O-N 3.09Å; C413-T416 VanDerWaalsContact O-O 3.12Å; C413-T416 VanDerWaalsContact SG-CB 3.51Å; T416-D420 HydrophobicContact CG2-CB 3.58Å; T416-K421 HydrophobicContact CG2-CB 4.27Å
417	T	95.8	Very high	94.2	Very high	24 Å²	24	56.9 Å²	56.9	15%	0.147	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	164.9	172.5	66.9	0	0	0	0	111.4	Q410 Y411 L419 D420 K421	Q410-T417 CarbonylContact O-C 3.54Å; Q410-T417 VanDerWaalsContact O-CA 3.28Å; Q410-T417 WeakPolarHBondContact O-CA 3.49Å; Y411-T417 HydrophobicContact CD1-CG2 4.31Å; Y411-T417 HydrophobicContact CE1-CG2 4.19Å; T417-L419 PolarHBondContact O-N 3.34Å; T417-L419 PolarHBondContact OG1-N 2.97Å; T417-D420 WeakPolarHBondContact CB-OD2 3.45Å; T417-D420 WeakPolarHBondContact CG2-OD2 3.27Å; T417-D420 PolarHBondContact N-OD2 2.72Å; T417-D420 PolarHBondContact O-N 3.08Å; T417-D420 PolarHBondContact OG1-N 2.87Å; T417-D420 PolarHBondContact OG1-OD2 3.03Å; T417-K421 WeakPolarHBondContact O-CB 3.23Å; T417-K421 PolarHBondContact O-N 3.2Å
418	M	95.9	Very high	94.2	Very high	26 Å²	26	54.9 Å²	54.9	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-34.2	170.8	-69.4	-69.1	-179.4	0	0	111.3	Y341 V406 Q410 W412 I422	Y341-M418 HydrophobicContact CD1-CE 4.48Å; Y341-M418 HydrophobicContact CD1-SD 3.62Å; Y341-M418 HydrophobicContact CE1-SD 3.27Å; Y341-M418 WeakPolarHBondContact CE1-SD 3.41Å; Y341-M418 HydrophobicContact CG-SD 4.47Å; V406-M418 HydrophobicContact CG1-CB 3.86Å; V406-M418 HydrophobicContact CG1-CG 3.93Å; V406-M418 HydrophobicContact CG1-SD 4.23Å; Q410-M418 WeakPolarHBondContact O-CG 3.38Å; Q410-M418 PolarHBondContact O-N 2.61Å; W412-M418 HydrophobicContact CB-CE 4.04Å; W412-M418 HydrophobicContact CB-CG 4.39Å; W412-M418 HydrophobicContact CB-SD 3.76Å; W412-M418 HydrophobicContact CG-CE 4.49Å; W412-M418 HydrophobicContact CG-SD 4.26Å; M418-I422 PolarHBondContact O-N 3.08Å; M418-I422 VanDerWaalsContact O-N 3.1Å
419	L	96.5	Very high	94.1	Very high	23 Å²	23	55.8 Å²	55.8	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-67.5	-45	173.6	-170.3	60.3	0	0	0	112.3	F408 T417 K421 I422 K423 Y444	F408-L419 HydrophobicContact CB-CB 4.18Å; F408-L419 HydrophobicContact CB-CD1 4.5Å; F408-L419 WeakPolarHBondContact O-CB 3.43Å; F408-L419 PolarHBondContact O-N 2.78Å; T417-L419 PolarHBondContact O-N 3.34Å; T417-L419 PolarHBondContact OG1-N 2.97Å; L419-K421 VanDerWaalsContact C-N 3.26Å; L419-K421 PolarHBondContact O-N 3.47Å; L419-I422 HydrophobicContact CD1-CG2 4Å; L419-I422 WeakPolarHBondContact O-CG2 3.37Å; L419-I422 PolarHBondContact O-N 2.92Å; L419-K423 VanDerWaalsContact O-CG 3.3Å; L419-K423 WeakPolarHBondContact O-CG 3.48Å; L419-K423 PolarHBondContact O-N 2.93Å; L419-Y444 HydrophobicContact CD1-CD1 4.47Å
420	D	95.6	Very high	94	Very high	74 Å²	74	51.5 Å²	51.5	40%	0.396	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-37.7	177.2	-60.3	-44.2	0	0	0	111.1	T416 T417 K423 G424	T416-D420 HydrophobicContact CG2-CB 3.58Å; T417-D420 WeakPolarHBondContact CB-OD2 3.45Å; T417-D420 WeakPolarHBondContact CG2-OD2 3.27Å; T417-D420 PolarHBondContact N-OD2 2.72Å; T417-D420 PolarHBondContact O-N 3.08Å; T417-D420 PolarHBondContact OG1-N 2.87Å; T417-D420 PolarHBondContact OG1-OD2 3.03Å; D420-K423 PolarHBondContact O-N 3.04Å; D420-G424 PolarHBondContact O-N 2.84Å
421	K	95.9	Very high	94	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-54.7	175	-169.3	-72.9	-174.7	-157	0	110.7	H237 P340 Y341 V348 S350 W412 T416 T417 L419 K423 G424 S425	H237-K421 PolarHBondContact CE1-NZ 3.42Å; H237-K421 WeakPolarHBondContact NE2-CD 3.4Å; H237-K421 WeakPolarHBondContact NE2-CE 3.33Å; H237-K421 PolarHBondContact NE2-NZ 3.02Å; P340-K421 WeakPolarHBondContact O-CE 3.39Å; P340-K421 PolarHBondContact O-NZ 3.27Å; Y341-K421 HydrophobicContact CD1-CD 4.1Å; Y341-K421 HydrophobicContact CD1-CG 4.36Å; Y341-K421 HydrophobicContact CE1-CD 3.81Å; Y341-K421 HydrophobicContact CE1-CG 4.21Å; V348-K421 VanDerWaalsContact O-CE 3.32Å; V348-K421 WeakPolarHBondContact O-CE 3.27Å; V348-K421 PolarHBondContact O-NZ 3.04Å; S350-K421 PolarHBondContact OG-NZ 3.43Å; W412-K421 HydrophobicContact CD2-CB 4.28Å; W412-K421 HydrophobicContact CD2-CG 3.75Å; W412-K421 HydrophobicContact CE3-CB 3.93Å; W412-K421 HydrophobicContact CE3-CG 3.57Å; W412-K421 HydrophobicContact CG-CG 4.3Å; W412-K421 HydrophobicContact CH2-CG 4.41Å; W412-K421 HydrophobicContact CZ3-CG 3.93Å; T416-K421 HydrophobicContact CG2-CB 4.27Å; T417-K421 WeakPolarHBondContact O-CB 3.23Å; T417-K421 PolarHBondContact O-N 3.2Å; L419-K421 VanDerWaalsContact C-N 3.26Å; L419-K421 PolarHBondContact O-N 3.47Å; K421-K423 VanDerWaalsContact C-N 3.31Å; K421-K423 PolarHBondContact O-N 2.86Å; K421-G424 PolarHBondContact O-N 2.66Å; K421-S425 WeakPolarHBondContact O-CB 3.41Å; K421-S425 PolarHBondContact O-N 3.16Å
422	I	96.6	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-40.3	-179.3	-172.2	177.5	0	0	0	111.3	F234 H237 M418 L419 G424 S425 L426 L447	F234-I422 HydrophobicContact CD2-CD1 3.65Å; F234-I422 HydrophobicContact CE2-CD1 4Å; H237-I422 HydrophobicContact CB-CB 4.33Å; H237-I422 HydrophobicContact CB-CD1 3.52Å; H237-I422 HydrophobicContact CB-CG1 3.85Å; M418-I422 PolarHBondContact O-N 3.08Å; M418-I422 VanDerWaalsContact O-N 3.1Å; L419-I422 HydrophobicContact CD1-CG2 4Å; L419-I422 WeakPolarHBondContact O-CG2 3.37Å; L419-I422 PolarHBondContact O-N 2.92Å; I422-G424 PolarHBondContact O-N 3.38Å; I422-S425 PolarHBondContact O-N 2.63Å; I422-L426 HydrophobicContact CD1-CD1 4.28Å; I422-L426 HydrophobicContact CG1-CD1 3.77Å; I422-L426 HydrophobicContact CG1-CG 4.1Å; I422-L426 WeakPolarHBondContact O-CB 3.48Å; I422-L426 VanDerWaalsContact O-CG 3.26Å; I422-L426 WeakPolarHBondContact O-CG 3.2Å; I422-L426 PolarHBondContact O-N 3.39Å; I422-L447 HydrophobicContact CD1-CD1 4.16Å
423	K	96.3	Very high	94	Very high	56 Å²	56	46.9 Å²	46.9	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-49.8	174.2	-72.8	-176	174.6	-141.3	0	111.5	L419 D420 K421 S427 E441 Y444	L419-K423 VanDerWaalsContact O-CG 3.3Å; L419-K423 WeakPolarHBondContact O-CG 3.48Å; L419-K423 PolarHBondContact O-N 2.93Å; D420-K423 PolarHBondContact O-N 3.04Å; K421-K423 VanDerWaalsContact C-N 3.31Å; K421-K423 PolarHBondContact O-N 2.86Å; K423-S427 PolarHBondContact O-N 3.04Å; K423-S427 VanDerWaalsContact O-N 3.12Å; K423-E441 VanDerWaalsContact NZ-CD 3.25Å; K423-E441 IonicContact NZ-OE1 3.33Å; K423-E441 PolarHBondContact NZ-OE1 2.7Å; K423-E441 IonicContact NZ-OE2 3.31Å; K423-E441 PolarHBondContact NZ-OE2 3.25Å; K423-Y444 HydrophobicContact CB-CE2 4.44Å; K423-Y444 HydrophobicContact CD-CD2 4.07Å; K423-Y444 HydrophobicContact CD-CE2 4.31Å; K423-Y444 VanDerWaalsContact CE-CD2 3.44Å; K423-Y444 HydrophobicContact CG-CD1 4.26Å; K423-Y444 HydrophobicContact CG-CD2 3.74Å; K423-Y444 HydrophobicContact CG-CE1 4.15Å; K423-Y444 HydrophobicContact CG-CE2 3.62Å; K423-Y444 HydrophobicContact CG-CG 4.08Å
424	G	96	Very high	94	Very high	17 Å²	17	52 Å²	52	18%	0.175	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-44.7	178.4	0	0	0	0	0	112.8	D420 K421 I422 S427	D420-G424 PolarHBondContact O-N 2.84Å; K421-G424 PolarHBondContact O-N 2.66Å; I422-G424 PolarHBondContact O-N 3.38Å; G424-S427 PolarHBondContact O-N 2.81Å; G424-S427 PolarHBondContact O-OG 3.49Å
425	S	96.8	Very high	94	Very high	1 Å²	1	48 Å²	48	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-51.4	178.8	-162.5	0	0	0	0	111.9	D233 V348 S350 K421 I422 S427 C428	D233-S425 WeakPolarHBondContact OD2-CB 3.3Å; D233-S425 PolarHBondContact OD2-OG 2.93Å; V348-S425 WeakPolarHBondContact O-CB 3.43Å; S350-S425 PolarHBondContact N-OG 2.95Å; S350-S425 PolarHBondContact OG-OG 3.08Å; K421-S425 WeakPolarHBondContact O-CB 3.41Å; K421-S425 PolarHBondContact O-N 3.16Å; I422-S425 PolarHBondContact O-N 2.63Å; S425-S427 VanDerWaalsContact C-N 3.26Å; S425-S427 PolarHBondContact O-N 3.34Å; S425-C428 WeakPolarHBondContact O-CB 3.46Å; S425-C428 PolarHBondContact O-N 3.47Å
426	L	96.5	Very high	94	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-27.4	-177.9	-64.8	-179.3	0	0	0	113.4	L230 D233 F234 I422 C428 H429 Y444	L230-L426 HydrophobicContact CG-CD2 4.38Å; L230-L426 VanDerWaalsContact O-CD2 3.29Å; L230-L426 WeakPolarHBondContact O-CD2 3.32Å; D233-L426 HydrophobicContact CB-CD2 3.8Å; F234-L426 HydrophobicContact CB-CD1 4.09Å; F234-L426 HydrophobicContact CB-CD2 4.05Å; F234-L426 HydrophobicContact CD2-CD1 3.85Å; F234-L426 HydrophobicContact CG-CD1 4.45Å; I422-L426 HydrophobicContact CD1-CD1 4.28Å; I422-L426 HydrophobicContact CG1-CD1 3.77Å; I422-L426 HydrophobicContact CG1-CG 4.1Å; I422-L426 WeakPolarHBondContact O-CB 3.48Å; I422-L426 VanDerWaalsContact O-CG 3.26Å; I422-L426 WeakPolarHBondContact O-CG 3.2Å; I422-L426 PolarHBondContact O-N 3.39Å; L426-C428 PolarHBondContact O-N 3.32Å; L426-H429 PolarHBondContact O-N 2.87Å; L426-Y444 HydrophobicContact CD1-CE1 4.02Å
427	S	95.1	Very high	93.8	Very high	64 Å²	64	43.1 Å²	43.1	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-25.6	173.9	78.7	0	0	0	0	112.8	K423 G424 S425 H429 A430	K423-S427 PolarHBondContact O-N 3.04Å; K423-S427 VanDerWaalsContact O-N 3.12Å; G424-S427 PolarHBondContact O-N 2.81Å; G424-S427 PolarHBondContact O-OG 3.49Å; S425-S427 VanDerWaalsContact C-N 3.26Å; S425-S427 PolarHBondContact O-N 3.34Å; S427-H429 PolarHBondContact O-N 2.84Å; S427-A430 WeakPolarHBondContact O-CB 2.98Å; S427-A430 PolarHBondContact O-N 3.4Å
428	C	93.8	Very high	93.5	Very high	77 Å²	77	49.4 Å²	49.4	52%	0.52	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.7	175	-56.6	0	0	0	0	113	S425 L426	S425-C428 WeakPolarHBondContact O-CB 3.46Å; S425-C428 PolarHBondContact O-N 3.47Å; L426-C428 PolarHBondContact O-N 3.32Å
429	H	94.7	Very high	93.1	Very high	26 Å²	26	50.8 Å²	50.8	12%	0.12	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	15.7	-177.8	-53.4	-40.8	0	0	0	112.5	S226 L229 L230 D233 L426 S427	S226-H429 WeakPolarHBondContact CB-O 3.47Å; L229-H429 HydrophobicContact CB-CB 4.1Å; L230-H429 HydrophobicContact CB-CB 3.95Å; D233-H429 IonicContact OD2-CD2 3.41Å; D233-H429 IonicContact OD2-NE2 2.77Å; L426-H429 PolarHBondContact O-N 2.87Å; S427-H429 PolarHBondContact O-N 2.84Å
430	A	91	Very high	93	Very high	12 Å²	12	49.9 Å²	49.9	10%	0.099	27%	0.27	C	S	.	.			trans	-60.6	135.5	-177.5	0	0	0	0	0	113	Q380 S427 Y436	Q380-A430 PolarHBondContact NE2-O 3.41Å; S427-A430 WeakPolarHBondContact O-CB 2.98Å; S427-A430 PolarHBondContact O-N 3.4Å; A430-Y436 HydrophobicContact CB-CD1 4.18Å; A430-Y436 HydrophobicContact CB-CD2 4.47Å; A430-Y436 HydrophobicContact CB-CE1 3.52Å; A430-Y436 HydrophobicContact CB-CE2 3.81Å; A430-Y436 WeakPolarHBondContact CB-OH 3.22Å
431	P	93.3	Very high	92.9	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.019	27%	0.272	C	S	.	.			trans	-67.7	169.2	167.3	31.8	-35.2	0	0	0	111	D381 L384 D433 Y436	D381-P431 HydrophobicContact CB-CB 4.35Å; D381-P431 CarbonylContact O-C 3.56Å; D381-P431 VanDerWaalsContact O-CA 3.3Å; D381-P431 WeakPolarHBondContact O-CA 3.2Å; D381-P431 WeakPolarHBondContact O-CB 3.43Å; L384-P431 HydrophobicContact CB-CG 4.16Å; P431-D433 PolarHBondContact O-N 3.21Å; P431-Y436 HydrophobicContact CG-CD1 3.81Å; P431-Y436 HydrophobicContact CG-CG 3.92Å
432	K	93.4	Very high	92.7	Very high	123 Å²	123	55.8 Å²	55.8	54%	0.535	29%	0.294	S	S	.	.	S	Bend	trans	-64.6	-39.5	-177.6	-64.9	177.1	-170.5	164.8	0	113.3	Q380 D381 N382 Q434	Q380-K432 HydrophobicContact CG-CG 3.97Å; D381-K432 PolarHBondContact O-N 3.28Å; N382-K432 PolarHBondContact OD1-NZ 3.47Å; K432-Q434 PolarHBondContact O-N 3.5Å
433	D	91.2	Very high	92.7	Very high	80 Å²	80	55.8 Å²	55.8	43%	0.428	29%	0.294	S	S	.	.	S	Bend	trans	-74.7	113.5	-179.7	176.2	14.4	0	0	0	111.7	N382 F383 P431 A435 Y436	N382-D433 WeakPolarHBondContact O-CB 3.36Å; N382-D433 PolarHBondContact O-N 3.22Å; F383-D433 HydrophobicContact CB-CB 4.31Å; P431-D433 PolarHBondContact O-N 3.21Å; D433-A435 PolarHBondContact O-N 2.96Å; D433-A435 WeakPolarHBondContact OD1-CB 3.49Å; D433-A435 PolarHBondContact OD1-N 3.31Å; D433-Y436 WeakPolarHBondContact O-CD1 3.33Å; D433-Y436 PolarHBondContact O-N 3Å
434	Q	89.3	Confident	92.6	Very high	154 Å²	154	53.7 Å²	53.7	72%	0.72	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-12.4	-177.6	-64	-174.6	-7	0	0	114.8	K432 Y436 S437	K432-Q434 PolarHBondContact O-N 3.5Å; Q434-Y436 PolarHBondContact O-N 3.49Å; Q434-Y436 VanDerWaalsContact O-N 3.08Å; Q434-S437 WeakPolarHBondContact O-CB 3.27Å; Q434-S437 PolarHBondContact O-N 3.19Å; Q434-S437 PolarHBondContact O-OG 2.79Å
435	A	87.9	Confident	92.5	Very high	41 Å²	41	55.1 Å²	55.1	34%	0.339	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.7	173.2	0	0	0	0	0	113	D433 S437 Q438	D433-A435 PolarHBondContact O-N 2.96Å; D433-A435 WeakPolarHBondContact OD1-CB 3.49Å; D433-A435 PolarHBondContact OD1-N 3.31Å; A435-S437 PolarHBondContact O-N 3.08Å; A435-S437 VanDerWaalsContact O-N 3.12Å; A435-Q438 PolarHBondContact O-N 3.02Å
436	Y	89.2	Confident	92.3	Very high	50 Å²	50	57.4 Å²	57.4	20%	0.196	30%	0.303	C	S	.	.	H	α-helix	trans	-53.9	-32.6	174.1	81.6	-100.8	0	0	0	112.5	A430 P431 D433 Q434 Q438 I439 L440	A430-Y436 HydrophobicContact CB-CD1 4.18Å; A430-Y436 HydrophobicContact CB-CD2 4.47Å; A430-Y436 HydrophobicContact CB-CE1 3.52Å; A430-Y436 HydrophobicContact CB-CE2 3.81Å; A430-Y436 WeakPolarHBondContact CB-OH 3.22Å; P431-Y436 HydrophobicContact CG-CD1 3.81Å; P431-Y436 HydrophobicContact CG-CG 3.92Å; D433-Y436 WeakPolarHBondContact O-CD1 3.33Å; D433-Y436 PolarHBondContact O-N 3Å; Q434-Y436 PolarHBondContact O-N 3.49Å; Q434-Y436 VanDerWaalsContact O-N 3.08Å; Y436-Q438 PolarHBondContact O-N 3.31Å; Y436-I439 PolarHBondContact O-N 2.92Å; Y436-L440 HydrophobicContact CD2-CD1 3.68Å; Y436-L440 HydrophobicContact CD2-CG 4.28Å; Y436-L440 HydrophobicContact CE2-CD1 4.17Å; Y436-L440 WeakPolarHBondContact O-CG 3.32Å; Y436-L440 PolarHBondContact O-N 3.41Å
437	S	88.8	Confident	92.1	Very high	54 Å²	54	57.6 Å²	57.6	38%	0.378	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-46.6	-175.4	58.7	0	0	0	0	112	Q434 A435 I439 L440 E441	Q434-S437 WeakPolarHBondContact O-CB 3.27Å; Q434-S437 PolarHBondContact O-N 3.19Å; Q434-S437 PolarHBondContact O-OG 2.79Å; A435-S437 PolarHBondContact O-N 3.08Å; A435-S437 VanDerWaalsContact O-N 3.12Å; S437-I439 VanDerWaalsContact C-N 3.3Å; S437-I439 PolarHBondContact O-N 2.63Å; S437-L440 PolarHBondContact O-N 2.87Å; S437-E441 WeakPolarHBondContact O-CG 3.38Å; S437-E441 PolarHBondContact O-N 3.02Å
438	Q	89.1	Confident	91.5	Very high	156 Å²	156	56.5 Å²	56.5	73%	0.729	30%	0.296	S	S	*	.	H	α-helix	trans	-64.9	-38.2	178.1	-63.3	179.4	5	0	0	111.4	A435 Y436 E441 H442	A435-Q438 PolarHBondContact O-N 3.02Å; Y436-Q438 PolarHBondContact O-N 3.31Å; Q438-E441 PolarHBondContact O-N 3.17Å; Q438-H442 PolarHBondContact O-N 2.72Å
439	I	89.3	Confident	90.8	Very high	56 Å²	56	57 Å²	57	29%	0.287	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-46.6	177.6	-63.2	170.7	0	0	0	110.5	L384 L389 Y436 S437 E441 H442 V443	L384-I439 HydrophobicContact CD2-CB 4.31Å; L384-I439 HydrophobicContact CD2-CG2 3.79Å; L389-I439 HydrophobicContact CD1-CG2 3.46Å; L389-I439 VanDerWaalsContact CD1-CG2 3.46Å; L389-I439 HydrophobicContact CD2-CG2 3.62Å; L389-I439 HydrophobicContact CG-CG2 4.04Å; Y436-I439 PolarHBondContact O-N 2.92Å; S437-I439 VanDerWaalsContact C-N 3.3Å; S437-I439 PolarHBondContact O-N 2.63Å; I439-E441 VanDerWaalsContact C-N 3.35Å; I439-E441 PolarHBondContact O-N 3.05Å; I439-H442 WeakPolarHBondContact O-CB 3.44Å; I439-H442 PolarHBondContact O-N 2.73Å; I439-V443 PolarHBondContact O-N 2.8Å
440	L	93.4	Very high	89.3	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-34.5	179.4	-69.2	-175.3	0	0	0	112.2	L230 L384 M392 Y436 S437 H442 V443 Y444	L230-L440 HydrophobicContact CD1-CD1 4.36Å; L384-L440 HydrophobicContact CD2-CD2 4.28Å; M392-L440 HydrophobicContact CE-CD2 3.58Å; M392-L440 HydrophobicContact SD-CD2 3.89Å; Y436-L440 HydrophobicContact CD2-CD1 3.68Å; Y436-L440 HydrophobicContact CD2-CG 4.28Å; Y436-L440 HydrophobicContact CE2-CD1 4.17Å; Y436-L440 WeakPolarHBondContact O-CG 3.32Å; Y436-L440 PolarHBondContact O-N 3.41Å; S437-L440 PolarHBondContact O-N 2.87Å; L440-H442 PolarHBondContact O-N 2.88Å; L440-V443 WeakPolarHBondContact O-CB 3.27Å; L440-V443 PolarHBondContact O-N 3.47Å; L440-Y444 VanDerWaalsContact C-CD2 3.49Å; L440-Y444 HydrophobicContact CB-CD2 4.29Å; L440-Y444 HydrophobicContact CB-CE2 3.59Å; L440-Y444 WeakPolarHBondContact O-CD2 3.29Å; L440-Y444 PolarHBondContact O-N 3.48Å
441	E	93.6	Very high	87.4	Confident	95 Å²	95	67.4 Å²	67.4	44%	0.444	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-35.6	172.7	-76.5	-57.9	147.3	0	0	112.4	K423 S437 Q438 I439 Y444 S445	K423-E441 VanDerWaalsContact NZ-CD 3.25Å; K423-E441 IonicContact NZ-OE1 3.33Å; K423-E441 PolarHBondContact NZ-OE1 2.7Å; K423-E441 IonicContact NZ-OE2 3.31Å; K423-E441 PolarHBondContact NZ-OE2 3.25Å; S437-E441 WeakPolarHBondContact O-CG 3.38Å; S437-E441 PolarHBondContact O-N 3.02Å; Q438-E441 PolarHBondContact O-N 3.17Å; I439-E441 VanDerWaalsContact C-N 3.35Å; I439-E441 PolarHBondContact O-N 3.05Å; E441-Y444 PolarHBondContact O-N 3.25Å; E441-S445 WeakPolarHBondContact O-CB 3.48Å; E441-S445 PolarHBondContact O-N 3Å
442	H	92.4	Very high	87.1	Confident	102 Å²	102	70.7 Å²	70.7	47%	0.472	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-46.8	171.4	-176.6	67	0	0	0	111.7	Q438 I439 L440 Y444 S445 Q446	Q438-H442 PolarHBondContact O-N 2.72Å; I439-H442 WeakPolarHBondContact O-CB 3.44Å; I439-H442 PolarHBondContact O-N 2.73Å; L440-H442 PolarHBondContact O-N 2.88Å; H442-Y444 PolarHBondContact O-N 3.37Å; H442-S445 PolarHBondContact O-N 3.24Å; H442-S445 PolarHBondContact O-OG 3.27Å; H442-Q446 PolarHBondContact O-N 3.46Å
443	V	94.9	Very high	86.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-44.6	177.2	-177.6	0	0	0	0	111.2	F234 L389 M392 M393 V396 I439 L440 S445 Q446 L447	F234-V443 HydrophobicContact CE2-CG1 3.71Å; F234-V443 HydrophobicContact CZ-CG1 3.58Å; L389-V443 HydrophobicContact CD1-CG2 3.65Å; M392-V443 HydrophobicContact CB-CG1 4.46Å; M392-V443 HydrophobicContact CE-CB 4.48Å; M392-V443 HydrophobicContact CE-CG1 3.95Å; M392-V443 HydrophobicContact CE-CG2 4.41Å; M393-V443 HydrophobicContact SD-CG2 4.16Å; V396-V443 HydrophobicContact CG2-CG1 4.16Å; I439-V443 PolarHBondContact O-N 2.8Å; L440-V443 WeakPolarHBondContact O-CB 3.27Å; L440-V443 PolarHBondContact O-N 3.47Å; V443-S445 VanDerWaalsContact C-N 3.31Å; V443-S445 PolarHBondContact O-N 3.37Å; V443-Q446 WeakPolarHBondContact O-CB 3.37Å; V443-Q446 PolarHBondContact O-N 3.22Å; V443-Q446 VanDerWaalsContact O-N 3.12Å; V443-L447 PolarHBondContact O-N 3.24Å
444	Y	95.2	Very high	86.6	Confident	12 Å²	12	67.2 Å²	67.2	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-35.9	178.7	-58.9	-38.2	0	0	0	112.7	L419 K423 L426 L440 E441 H442 Q446 L447 S448	L419-Y444 HydrophobicContact CD1-CD1 4.47Å; K423-Y444 HydrophobicContact CB-CE2 4.44Å; K423-Y444 HydrophobicContact CD-CD2 4.07Å; K423-Y444 HydrophobicContact CD-CE2 4.31Å; K423-Y444 VanDerWaalsContact CE-CD2 3.44Å; K423-Y444 HydrophobicContact CG-CD1 4.26Å; K423-Y444 HydrophobicContact CG-CD2 3.74Å; K423-Y444 HydrophobicContact CG-CE1 4.15Å; K423-Y444 HydrophobicContact CG-CE2 3.62Å; K423-Y444 HydrophobicContact CG-CG 4.08Å; L426-Y444 HydrophobicContact CD1-CE1 4.02Å; L440-Y444 VanDerWaalsContact C-CD2 3.49Å; L440-Y444 HydrophobicContact CB-CD2 4.29Å; L440-Y444 HydrophobicContact CB-CE2 3.59Å; L440-Y444 WeakPolarHBondContact O-CD2 3.29Å; L440-Y444 PolarHBondContact O-N 3.48Å; E441-Y444 PolarHBondContact O-N 3.25Å; H442-Y444 PolarHBondContact O-N 3.37Å; Y444-Q446 VanDerWaalsContact C-N 3.26Å; Y444-Q446 PolarHBondContact O-N 2.92Å; Y444-L447 PolarHBondContact O-N 2.97Å; Y444-S448 PolarHBondContact O-N 3.24Å; Y444-S448 VanDerWaalsContact O-N 3.1Å
445	S	93.6	Very high	86.4	Confident	47 Å²	47	62.1 Å²	62.1	33%	0.329	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-34.4	174.7	77.1	0	0	0	0	112.3	E441 H442 V443 S448 T449	E441-S445 WeakPolarHBondContact O-CB 3.48Å; E441-S445 PolarHBondContact O-N 3Å; H442-S445 PolarHBondContact O-N 3.24Å; H442-S445 PolarHBondContact O-OG 3.27Å; V443-S445 VanDerWaalsContact C-N 3.31Å; V443-S445 PolarHBondContact O-N 3.37Å; S445-S448 PolarHBondContact O-N 2.84Å; S445-S448 PolarHBondContact O-OG 3.27Å; S445-T449 WeakPolarHBondContact O-CG2 3.48Å; S445-T449 PolarHBondContact O-N 3.16Å; S445-T449 PolarHBondContact O-OG1 3.11Å
446	Q	93.3	Very high	86.3	Confident	50 Å²	50	63.4 Å²	63.4	23%	0.234	33%	0.326	C	S	.	.	H	α-helix	trans	-69.8	-39.1	176.7	-61.7	-63.2	-48.4	0	0	111.5	M393 V396 H442 V443 Y444 S448 T449 T450	M393-Q446 HydrophobicContact CE-CG 4.09Å; V396-Q446 HydrophobicContact CG1-CB 3.96Å; H442-Q446 PolarHBondContact O-N 3.46Å; V443-Q446 WeakPolarHBondContact O-CB 3.37Å; V443-Q446 PolarHBondContact O-N 3.22Å; V443-Q446 VanDerWaalsContact O-N 3.12Å; Y444-Q446 VanDerWaalsContact C-N 3.26Å; Y444-Q446 PolarHBondContact O-N 2.92Å; Q446-S448 VanDerWaalsContact C-N 3.35Å; Q446-S448 PolarHBondContact O-N 3.13Å; Q446-T449 PolarHBondContact O-N 2.75Å; Q446-T449 PolarHBondContact O-OG1 3.24Å; Q446-T450 PolarHBondContact O-OG1 3.47Å; Q446-T450 VanDerWaalsContact O-OG1 3.04Å
447	L	91.7	Very high	86.1	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-62.4	-40	175.7	-66.7	-176.9	0	0	0	112.4	F234 L238 V396 F408 I422 V443 Y444 T449 T450	F234-L447 HydrophobicContact CE2-CD1 3.9Å; F234-L447 HydrophobicContact CZ-CD1 4.43Å; L238-L447 HydrophobicContact CD2-CD1 4.2Å; L238-L447 HydrophobicContact CD2-CD2 3.79Å; V396-L447 HydrophobicContact CG1-CD2 4.39Å; V396-L447 HydrophobicContact CG2-CD2 3.82Å; V396-L447 HydrophobicContact CG2-CG 4.45Å; F408-L447 HydrophobicContact CD1-CD1 4.42Å; F408-L447 HydrophobicContact CD2-CB 3.87Å; F408-L447 HydrophobicContact CE1-CD1 3.99Å; F408-L447 HydrophobicContact CE2-CB 3.94Å; F408-L447 HydrophobicContact CE2-CD1 4.33Å; F408-L447 HydrophobicContact CE2-CD2 3.72Å; F408-L447 HydrophobicContact CE2-CG 4.21Å; F408-L447 HydrophobicContact CG-CB 4.27Å; F408-L447 HydrophobicContact CZ-CB 4.39Å; F408-L447 HydrophobicContact CZ-CD1 3.94Å; F408-L447 HydrophobicContact CZ-CD2 3.81Å; F408-L447 HydrophobicContact CZ-CG 4.28Å; I422-L447 HydrophobicContact CD1-CD1 4.16Å; V443-L447 PolarHBondContact O-N 3.24Å; Y444-L447 PolarHBondContact O-N 2.97Å; L447-T449 VanDerWaalsContact C-N 3.33Å; L447-T449 PolarHBondContact O-N 3.17Å; L447-T450 PolarHBondContact O-N 3.24Å
448	S	82.9	Confident	85.9	Confident	41 Å²	41	65.1 Å²	65.1	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-72.5	-25.1	-179.3	63.3	0	0	0	0	113.8	Y444 S445 Q446 T450	Y444-S448 PolarHBondContact O-N 3.24Å; Y444-S448 VanDerWaalsContact O-N 3.1Å; S445-S448 PolarHBondContact O-N 2.84Å; S445-S448 PolarHBondContact O-OG 3.27Å; Q446-S448 VanDerWaalsContact C-N 3.35Å; Q446-S448 PolarHBondContact O-N 3.13Å; S448-T450 VanDerWaalsContact C-N 3.3Å
449	T	78.6	Confident	85.7	Confident	88 Å²	88	58.1 Å²	58.1	54%	0.54	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.6	176.7	57.5	0	0	0	0	114.5	S445 Q446 L447 H451	S445-T449 WeakPolarHBondContact O-CG2 3.48Å; S445-T449 PolarHBondContact O-N 3.16Å; S445-T449 PolarHBondContact O-OG1 3.11Å; Q446-T449 PolarHBondContact O-N 2.75Å; Q446-T449 PolarHBondContact O-OG1 3.24Å; L447-T449 VanDerWaalsContact C-N 3.33Å; L447-T449 PolarHBondContact O-N 3.17Å; T449-H451 PolarHBondContact O-N 3.16Å
450	T	62.7	Low	85.4	Confident	27 Å²	27	58.3 Å²	58.3	17%	0.166	30%	0.302	C	S	.	.			trans	-84.6	111.4	-178.7	-50.6	0	0	0	0	109.3	R400 L405 Q446 L447 S448	R400-T450 HydrophobicContact CB-CG2 4.43Å; R400-T450 HydrophobicContact CG-CG2 3.78Å; R400-T450 VanDerWaalsContact O-CG2 3.24Å; R400-T450 WeakPolarHBondContact O-CG2 3.42Å; L405-T450 HydrophobicContact CD2-CG2 3.43Å; L405-T450 VanDerWaalsContact CD2-CG2 3.43Å; Q446-T450 PolarHBondContact O-OG1 3.47Å; Q446-T450 VanDerWaalsContact O-OG1 3.04Å; L447-T450 PolarHBondContact O-N 3.24Å; S448-T450 VanDerWaalsContact C-N 3.3Å
451	H	52.7	Low	84.7	Confident	229 Å²	229	63.2 Å²	63.2	100%	1.06	33%	0.327	S	S	*	.			trans	-107.4	0	-172.2	-83.7	-64.9	0	0	0	113.7	T449	T449-H451 PolarHBondContact O-N 3.16Å

Retrieved 451 of 451 residues in 200.3 ms (Link to these results)

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