A0A087Y890_POEFO Loading...

Si:ch211-236l14.4

AlphaFold DB , UniProt , Accession A0A087Y890, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 693 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	45.4	Very low	244 Å²	244	152.7 Å²	152.7	100%	1.202	81%	0.808	S	S	*	*				0	157.7	0	-82.4	179.6	174.5	0	0	108.9
2	P	59.3	Low	44.6	Very low	97 Å²	97	153.4 Å²	153.4	63%	0.63	81%	0.809	S	S	*	*				-130.9	-179.4	-125.5	44.5	-34.7	0	0	0	118.5
3	H	42.8	Very low	45.6	Very low	181 Å²	181	149.2 Å²	149.2	84%	0.838	80%	0.796	S	S	*	*			trans	78.6	158.7	152.4	-63.4	-34.9	0	0	0	120.2
4	A	44.7	Very low	44.5	Very low	85 Å²	85	150.9 Å²	150.9	70%	0.702	80%	0.797	S	S	*	*			cis	-171.9	127	-28.7	0	0	0	0	0	115.4
5	R	45.9	Very low	44.7	Very low	222 Å²	222	148.4 Å²	148.4	84%	0.838	79%	0.79	S	S	*	*				52.2	130.7	125.3	-107.3	-172.9	176.5	172.6	2	125.7
6	N	42.7	Very low	43.9	Very low	110 Å²	110	147.9 Å²	147.9	59%	0.588	79%	0.794	S	S	*	*				99.6	129.9	119.9	-94.4	4.6	0	0	0	126.6
7	R	41.4	Very low	43.6	Very low	222 Å²	222	152.5 Å²	152.5	84%	0.838	80%	0.798	S	S	*	*				100.4	109.9	127.7	-82.7	175.4	176.1	-175.5	-4.1	124.8
8	N	41.8	Very low	43.3	Very low	154 Å²	154	150.6 Å²	150.6	82%	0.824	79%	0.789	S	S	*	*				4.8	151	124.2	-74.9	35.9	0	0	0	120.5
9	P	51.9	Low	43.2	Very low	129 Å²	129	149.5 Å²	149.5	84%	0.838	79%	0.789	S	S	*	*				-149.7	-172.7	61.8	42.7	-22.1	0	0	0	119.1
10	S	41.7	Very low	42.8	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	79%	0.785	S	S	*	*			trans	-106.5	174.5	176.4	57.9	0	0	0	0	112.7
11	P	52.9	Low	42.4	Very low	126 Å²	126	146.1 Å²	146.1	82%	0.818	79%	0.788	S	S	*	*				-154.3	-160.4	86.5	42.9	-21.4	0	0	0	116.9
12	I	36	Very low	42.7	Very low	161 Å²	161	144.3 Å²	144.3	83%	0.826	77%	0.773	S	S	*	*			trans	-114.7	148.6	-170.6	-78.8	160.8	0	0	0	108.8
13	P	57.2	Low	42.1	Very low	98 Å²	98	147.7 Å²	147.7	64%	0.636	78%	0.78	S	S	*	*				-138.4	-151.8	55.5	35.7	-10.9	0	0	0	114.1
14	E	31.1	Very low	42	Very low	173 Å²	173	147.4 Å²	147.4	81%	0.808	78%	0.781	S	S	*	*			cis	-158.1	-172	12.4	-154.6	104.3	-101	0	0	112.3
15	V	46.9	Very low	42.3	Very low	114 Å²	114	150.2 Å²	150.2	69%	0.691	79%	0.785	S	S	*	*			trans	-145	145.3	-173.9	174.3	0	0	0	0	113.7
16	T	32.1	Very low	42.9	Very low	141 Å²	141	145.5 Å²	145.5	87%	0.865	77%	0.772	S	S	*	*			trans	-145.4	159.6	158.6	25.2	0	0	0	0	113.1
17	W	39.5	Very low	43.6	Very low	225 Å²	225	144.9 Å²	144.9	85%	0.852	77%	0.772	S	S	*	*			trans	-98.7	-176.9	-174.9	-64.6	65.4	0	0	0	110.3
18	D	37.8	Very low	44.6	Very low	119 Å²	119	144.2 Å²	144.2	64%	0.636	77%	0.77	S	S	*	*			cis	-167.8	163.7	26.3	-148.5	-9.4	0	0	0	114.8
19	T	41.8	Very low	45.4	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	76%	0.757	S	S	*	*			trans	36.7	151.2	163.3	56.7	0	0	0	0	122.7
20	G	33.7	Very low	46.1	Very low	69 Å²	69	138.6 Å²	138.6	71%	0.711	74%	0.737	S	S	*	*			cis	166.6	-176.6	-3	0	0	0	0	0	113.3
21	L	35.1	Very low	47.4	Very low	159 Å²	159	136.3 Å²	136.3	83%	0.832	72%	0.724	S	S	*	*			trans	61.2	101.4	171.9	-79.9	163.7	0	0	0	119.2	E23	L21-E23 HydrophobicContact CD2-CG 4.17Å
22	K	40.6	Very low	48.4	Very low	205 Å²	205	135.9 Å²	135.9	89%	0.891	71%	0.714	S	S	*	*			trans	-145.6	88.6	141	-167.4	178.4	-175	-179.2	0	110.4
23	E	46.4	Very low	50.2	Low	169 Å²	169	131 Å²	131	79%	0.79	70%	0.697	S	S	*	*			trans	-73	137.5	172.6	-65	-175.3	116.7	0	0	111.2	L21	L21-E23 HydrophobicContact CD2-CG 4.17Å
24	M	40.8	Very low	51.2	Low	174 Å²	174	130.6 Å²	130.6	86%	0.857	70%	0.696	S	S	*	*			trans	-163.9	82.8	150.6	-110	-177	79.6	0	0	111.5
25	N	51.2	Low	53.6	Low	145 Å²	145	128 Å²	128	78%	0.775	69%	0.687	S	S	*	*			trans	41.1	96.2	141.6	-138.6	1.7	0	0	0	119.3
26	E	58.3	Low	55.2	Low	123 Å²	123	124.5 Å²	124.5	58%	0.575	67%	0.674	S	S	*	*			trans	-118	61.8	170	-73.5	-174	104.5	0	0	112.7	W28 K29	E26-W28 PolarHBondContact O-N 3.27Å; E26-K29 HydrophobicContact CB-CD 4.2Å; E26-K29 HydrophobicContact CB-CG 4.37Å; E26-K29 PolarHBondContact O-N 2.69Å; E26-K29 WeakPolarHBondContact OE1-CE 3.41Å; E26-K29 IonicContact OE1-NZ 2.69Å; E26-K29 PolarHBondContact OE1-NZ 2.94Å; E26-K29 WeakPolarHBondContact OE2-CE 3.02Å; E26-K29 IonicContact OE2-NZ 3.49Å; E26-K29 PolarHBondContact OE2-NZ 2.85Å
27	T	58.3	Low	57.7	Low	96 Å²	96	121.8 Å²	121.8	59%	0.589	66%	0.657	S	S	*	*	H	α-helix	trans	-54.7	-26.9	176.1	51.9	0	0	0	0	113.7	K29 G30 A31	T27-K29 VanDerWaalsContact C-N 3.3Å; T27-K29 PolarHBondContact O-N 3.07Å; T27-G30 PolarHBondContact O-N 3.06Å; T27-A31 PolarHBondContact O-N 2.91Å
28	W	61	Low	59.8	Low	209 Å²	209	113.5 Å²	113.5	79%	0.792	64%	0.637	S	S	*	*	H	α-helix	trans	-63.1	-30.8	177.4	-76.2	40.8	0	0	0	113.3	E26 G30 A31 I32	E26-W28 PolarHBondContact O-N 3.27Å; W28-G30 VanDerWaalsContact C-N 3.33Å; W28-G30 PolarHBondContact O-N 3.48Å; W28-A31 PolarHBondContact O-N 3.22Å; W28-I32 VanDerWaalsContact O-CG1 3.29Å; W28-I32 WeakPolarHBondContact O-CG1 3.29Å; W28-I32 PolarHBondContact O-N 3.23Å
29	K	59.4	Low	62	Low	125 Å²	125	111.6 Å²	111.6	54%	0.543	63%	0.629	S	S	.	*	H	α-helix	trans	-66.9	-36	176.3	-75.7	179.4	174.8	163.4	0	111.8	E26 T27 A33	E26-K29 HydrophobicContact CB-CD 4.2Å; E26-K29 HydrophobicContact CB-CG 4.37Å; E26-K29 PolarHBondContact O-N 2.69Å; E26-K29 WeakPolarHBondContact OE1-CE 3.41Å; E26-K29 IonicContact OE1-NZ 2.69Å; E26-K29 PolarHBondContact OE1-NZ 2.94Å; E26-K29 WeakPolarHBondContact OE2-CE 3.02Å; E26-K29 IonicContact OE2-NZ 3.49Å; E26-K29 PolarHBondContact OE2-NZ 2.85Å; T27-K29 VanDerWaalsContact C-N 3.3Å; T27-K29 PolarHBondContact O-N 3.07Å; K29-A33 WeakPolarHBondContact O-CB 3.5Å; K29-A33 PolarHBondContact O-N 3.38Å
30	G	66.6	Low	64.1	Low	40 Å²	40	111.8 Å²	111.8	41%	0.412	62%	0.619	S	S	.	*	H	α-helix	trans	-63.6	-46.1	170.6	0	0	0	0	0	112.1	T27 W28 I32 A33 C34	T27-G30 PolarHBondContact O-N 3.06Å; W28-G30 VanDerWaalsContact C-N 3.33Å; W28-G30 PolarHBondContact O-N 3.48Å; G30-I32 PolarHBondContact O-N 3Å; G30-A33 PolarHBondContact O-N 3.43Å; G30-C34 WeakPolarHBondContact O-CB 3.39Å; G30-C34 PolarHBondContact O-N 3.48Å; G30-C34 PolarHBondContact O-SG 3.4Å; G30-C34 VanDerWaalsContact O-SG 3.4Å
31	A	69	Low	66.7	Low	61 Å²	61	114.4 Å²	114.4	50%	0.504	61%	0.611	S	S	.	*	H	α-helix	trans	-61.5	-43.7	177.8	0	0	0	0	0	112.9	T27 W28 C34 L35	T27-A31 PolarHBondContact O-N 2.91Å; W28-A31 PolarHBondContact O-N 3.22Å; A31-C34 PolarHBondContact O-N 2.9Å; A31-L35 WeakPolarHBondContact O-CB 3.33Å; A31-L35 PolarHBondContact O-N 3.3Å
32	I	74.3	Confident	69.2	Low	117 Å²	117	111.9 Å²	111.9	60%	0.6	60%	0.602	S	S	*	*	H	α-helix	trans	-65.5	-41.2	176.8	-67.4	164.4	0	0	0	111	W28 G30 L35 G36	W28-I32 VanDerWaalsContact O-CG1 3.29Å; W28-I32 WeakPolarHBondContact O-CG1 3.29Å; W28-I32 PolarHBondContact O-N 3.23Å; G30-I32 PolarHBondContact O-N 3Å; I32-L35 PolarHBondContact O-N 2.89Å; I32-G36 PolarHBondContact O-N 3.35Å
33	A	73.8	Confident	71.3	Confident	58 Å²	58	107.7 Å²	107.7	48%	0.479	59%	0.587	S	S	.	*	H	α-helix	trans	-63.2	-45.7	175.4	0	0	0	0	0	112	K29 G30 L35 G36 V37	K29-A33 WeakPolarHBondContact O-CB 3.5Å; K29-A33 PolarHBondContact O-N 3.38Å; G30-A33 PolarHBondContact O-N 3.43Å; A33-L35 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 2.87Å; A33-G36 PolarHBondContact O-N 3.44Å; A33-V37 WeakPolarHBondContact O-CG2 3.36Å; A33-V37 PolarHBondContact O-N 3.48Å
34	C	77.1	Confident	73.2	Confident	91 Å²	91	101.6 Å²	101.6	62%	0.615	56%	0.562	S	S	*	*	H	α-helix	trans	-61.5	-39.6	175.1	-72.3	0	0	0	0	112.4	G30 A31 V37 A38	G30-C34 WeakPolarHBondContact O-CB 3.39Å; G30-C34 PolarHBondContact O-N 3.48Å; G30-C34 PolarHBondContact O-SG 3.4Å; G30-C34 VanDerWaalsContact O-SG 3.4Å; A31-C34 PolarHBondContact O-N 2.9Å; C34-V37 PolarHBondContact O-N 3.35Å; C34-A38 VanDerWaalsContact O-CB 3.32Å; C34-A38 WeakPolarHBondContact O-CB 3.42Å; C34-A38 PolarHBondContact O-N 3.44Å
35	L	81.1	Confident	75.3	Confident	117 Å²	117	98.3 Å²	98.3	61%	0.613	55%	0.547	S	S	*	.	H	α-helix	trans	-69.6	-39	177.7	-167.4	143.3	0	0	0	111.8	A31 I32 A33 A38 V39	A31-L35 WeakPolarHBondContact O-CB 3.33Å; A31-L35 PolarHBondContact O-N 3.3Å; I32-L35 PolarHBondContact O-N 2.89Å; A33-L35 VanDerWaalsContact C-N 3.33Å; A33-L35 PolarHBondContact O-N 2.87Å; L35-A38 PolarHBondContact O-N 2.92Å; L35-V39 HydrophobicContact CD2-CG2 4.2Å; L35-V39 WeakPolarHBondContact O-CG2 3.32Å; L35-V39 PolarHBondContact O-N 2.9Å
36	G	82.3	Confident	76.6	Confident	41 Å²	41	93.2 Å²	93.2	42%	0.423	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-43.7	172.4	0	0	0	0	0	112.9	I32 A33 V39 F40	I32-G36 PolarHBondContact O-N 3.35Å; A33-G36 PolarHBondContact O-N 3.44Å; G36-V39 PolarHBondContact O-N 3.31Å; G36-F40 WeakPolarHBondContact O-CB 3.34Å; G36-F40 PolarHBondContact O-N 3.45Å
37	V	83.9	Confident	77.6	Confident	84 Å²	84	91.4 Å²	91.4	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-64.3	-42	174	171.1	0	0	0	0	111.2	A33 C34 F40 F41	A33-V37 WeakPolarHBondContact O-CG2 3.36Å; A33-V37 PolarHBondContact O-N 3.48Å; C34-V37 PolarHBondContact O-N 3.35Å; V37-F40 PolarHBondContact O-N 2.93Å; V37-F41 HydrophobicContact CG1-CD2 3.8Å; V37-F41 HydrophobicContact CG1-CE2 4.02Å; V37-F41 WeakPolarHBondContact O-CD2 3.34Å; V37-F41 PolarHBondContact O-N 3.34Å
38	A	82.8	Confident	78.5	Confident	52 Å²	52	91.7 Å²	91.7	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-62.7	-43.9	176.5	0	0	0	0	0	112.1	C34 L35 F41 V42	C34-A38 VanDerWaalsContact O-CB 3.32Å; C34-A38 WeakPolarHBondContact O-CB 3.42Å; C34-A38 PolarHBondContact O-N 3.44Å; L35-A38 PolarHBondContact O-N 2.92Å; A38-F41 PolarHBondContact O-N 2.78Å; A38-V42 WeakPolarHBondContact O-CG2 3.16Å; A38-V42 PolarHBondContact O-N 3.49Å
39	V	84.7	Confident	79.1	Confident	78 Å²	78	88.3 Å²	88.3	47%	0.473	51%	0.506	S	S	.	.	H	α-helix	trans	-63.9	-40.2	174.6	170.8	0	0	0	0	111.2	L35 G36 V42 M43	L35-V39 HydrophobicContact CD2-CG2 4.2Å; L35-V39 WeakPolarHBondContact O-CG2 3.32Å; L35-V39 PolarHBondContact O-N 2.9Å; G36-V39 PolarHBondContact O-N 3.31Å; V39-V42 PolarHBondContact O-N 3.24Å; V39-M43 WeakPolarHBondContact O-CB 3.42Å; V39-M43 WeakPolarHBondContact O-CG 3.48Å; V39-M43 PolarHBondContact O-N 2.87Å
40	F	86.9	Confident	79.2	Confident	135 Å²	135	90.1 Å²	90.1	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-64.9	-39.7	175.7	-173.1	-95	0	0	0	112.4	G36 V37 M43 T44	G36-F40 WeakPolarHBondContact O-CB 3.34Å; G36-F40 PolarHBondContact O-N 3.45Å; V37-F40 PolarHBondContact O-N 2.93Å; F40-M43 PolarHBondContact O-N 2.7Å; F40-T44 HydrophobicContact CD1-CG2 4.23Å; F40-T44 HydrophobicContact CE1-CG2 3.78Å; F40-T44 HydrophobicContact CE2-CG2 4.38Å; F40-T44 HydrophobicContact CZ-CG2 3.86Å; F40-T44 WeakPolarHBondContact O-CB 3.37Å; F40-T44 WeakPolarHBondContact O-CG2 3.11Å; F40-T44 PolarHBondContact O-N 2.87Å; F40-T44 PolarHBondContact O-OG1 3.29Å
41	F	87.8	Confident	78.8	Confident	124 Å²	124	93.5 Å²	93.5	54%	0.544	52%	0.515	S	S	.	.	H	α-helix	trans	-66	-42.3	172.3	-94.1	-79.2	0	0	0	112.2	V37 A38 M43 T44 I45	V37-F41 HydrophobicContact CG1-CD2 3.8Å; V37-F41 HydrophobicContact CG1-CE2 4.02Å; V37-F41 WeakPolarHBondContact O-CD2 3.34Å; V37-F41 PolarHBondContact O-N 3.34Å; A38-F41 PolarHBondContact O-N 2.78Å; F41-M43 PolarHBondContact O-N 3.32Å; F41-T44 WeakPolarHBondContact CA-OG1 3.36Å; F41-T44 PolarHBondContact O-N 2.86Å; F41-T44 PolarHBondContact O-OG1 2.82Å; F41-I45 HydrophobicContact CD1-CD1 4.47Å; F41-I45 WeakPolarHBondContact O-CB 3.31Å; F41-I45 WeakPolarHBondContact O-CD1 3.46Å; F41-I45 WeakPolarHBondContact O-CG1 3.17Å; F41-I45 PolarHBondContact O-N 3.42Å
42	V	86.8	Confident	78.3	Confident	106 Å²	106	95.9 Å²	95.9	64%	0.642	52%	0.523	S	S	*	.	H	α-helix	trans	-65	-38	175.6	170.6	0	0	0	0	111.7	A38 V39 G46	A38-V42 WeakPolarHBondContact O-CG2 3.16Å; A38-V42 PolarHBondContact O-N 3.49Å; V39-V42 PolarHBondContact O-N 3.24Å; V42-G46 WeakPolarHBondContact O-CA 3.45Å; V42-G46 PolarHBondContact O-N 2.83Å
43	M	86	Confident	77.3	Confident	117 Å²	117	94.3 Å²	94.3	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-67.4	-46	173.9	-79	-169.2	69.6	0	0	112.5	V39 F40 F41 G46 I47	V39-M43 WeakPolarHBondContact O-CB 3.42Å; V39-M43 WeakPolarHBondContact O-CG 3.48Å; V39-M43 PolarHBondContact O-N 2.87Å; F40-M43 PolarHBondContact O-N 2.7Å; F41-M43 PolarHBondContact O-N 3.32Å; M43-G46 PolarHBondContact O-N 3.33Å; M43-I47 VanDerWaalsContact O-CG1 3.26Å; M43-I47 WeakPolarHBondContact O-CG1 3.2Å; M43-I47 PolarHBondContact O-N 2.74Å
44	T	85.9	Confident	75.9	Confident	41 Å²	41	96.1 Å²	96.1	25%	0.252	52%	0.52	S	S	.	.	H	α-helix	trans	-69.5	-39.3	179.9	46.7	0	0	0	0	112.2	F40 F41 G46 I47 I48	F40-T44 HydrophobicContact CD1-CG2 4.23Å; F40-T44 HydrophobicContact CE1-CG2 3.78Å; F40-T44 HydrophobicContact CE2-CG2 4.38Å; F40-T44 HydrophobicContact CZ-CG2 3.86Å; F40-T44 WeakPolarHBondContact O-CB 3.37Å; F40-T44 WeakPolarHBondContact O-CG2 3.11Å; F40-T44 PolarHBondContact O-N 2.87Å; F40-T44 PolarHBondContact O-OG1 3.29Å; F41-T44 WeakPolarHBondContact CA-OG1 3.36Å; F41-T44 PolarHBondContact O-N 2.86Å; F41-T44 PolarHBondContact O-OG1 2.82Å; T44-G46 VanDerWaalsContact C-N 3.33Å; T44-I47 PolarHBondContact O-N 2.89Å; T44-I48 WeakPolarHBondContact O-CB 3.42Å; T44-I48 WeakPolarHBondContact O-CD1 3.46Å; T44-I48 WeakPolarHBondContact O-CG1 3.45Å; T44-I48 PolarHBondContact O-N 2.84Å
45	I	84.5	Confident	74.3	Confident	105 Å²	105	98.6 Å²	98.6	54%	0.538	52%	0.522	S	S	.	.	H	α-helix	trans	-62.6	-40.6	169	-68.2	166.6	0	0	0	110.4	F41 I48 Y49	F41-I45 HydrophobicContact CD1-CD1 4.47Å; F41-I45 WeakPolarHBondContact O-CB 3.31Å; F41-I45 WeakPolarHBondContact O-CD1 3.46Å; F41-I45 WeakPolarHBondContact O-CG1 3.17Å; F41-I45 PolarHBondContact O-N 3.42Å; I45-I48 PolarHBondContact O-N 2.83Å; I45-Y49 WeakPolarHBondContact O-CB 3.34Å; I45-Y49 PolarHBondContact O-N 3.47Å
46	G	79.1	Confident	72.7	Confident	37 Å²	37	98.2 Å²	98.2	38%	0.381	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-43.5	176.2	0	0	0	0	0	113.2	V42 M43 T44 W50	V42-G46 WeakPolarHBondContact O-CA 3.45Å; V42-G46 PolarHBondContact O-N 2.83Å; M43-G46 PolarHBondContact O-N 3.33Å; T44-G46 VanDerWaalsContact C-N 3.33Å; G46-W50 VanDerWaalsContact O-CB 3.28Å; G46-W50 WeakPolarHBondContact O-CB 3.48Å; G46-W50 PolarHBondContact O-N 2.79Å
47	I	79	Confident	71.2	Confident	86 Å²	86	103.4 Å²	103.4	44%	0.441	55%	0.545	S	S	.	.	H	α-helix	trans	-65.4	-45.5	175.8	-68.4	161.8	0	0	0	110.7	M43 T44 W50 Q51	M43-I47 VanDerWaalsContact O-CG1 3.26Å; M43-I47 WeakPolarHBondContact O-CG1 3.2Å; M43-I47 PolarHBondContact O-N 2.74Å; T44-I47 PolarHBondContact O-N 2.89Å; I47-W50 PolarHBondContact O-N 3.41Å; I47-Q51 WeakPolarHBondContact O-CB 3.46Å; I47-Q51 WeakPolarHBondContact O-CG 3.47Å; I47-Q51 PolarHBondContact O-N 3.23Å
48	I	76.3	Confident	70.2	Confident	101 Å²	101	102.1 Å²	102.1	52%	0.518	53%	0.533	S	S	.	.	H	α-helix	trans	-66.1	-41.9	178	-67.9	165	0	0	0	110.7	T44 I45 Q51 V52	T44-I48 WeakPolarHBondContact O-CB 3.42Å; T44-I48 WeakPolarHBondContact O-CD1 3.46Å; T44-I48 WeakPolarHBondContact O-CG1 3.45Å; T44-I48 PolarHBondContact O-N 2.84Å; I45-I48 PolarHBondContact O-N 2.83Å; I48-Q51 PolarHBondContact O-N 3.08Å; I48-V52 HydrophobicContact CG2-CG2 4.12Å; I48-V52 VanDerWaalsContact O-CB 3.23Å; I48-V52 WeakPolarHBondContact O-CB 3.26Å; I48-V52 VanDerWaalsContact O-CG2 3.25Å; I48-V52 WeakPolarHBondContact O-CG2 3.49Å; I48-V52 PolarHBondContact O-N 2.93Å
49	Y	73.7	Confident	69.6	Low	138 Å²	138	106 Å²	106	54%	0.541	55%	0.546	S	S	.	.	H	α-helix	trans	-61.8	-43.9	175.2	-177.5	-86.8	0	0	0	111	I45 Q51 V52 V53 D54	I45-Y49 WeakPolarHBondContact O-CB 3.34Å; I45-Y49 PolarHBondContact O-N 3.47Å; Y49-Q51 PolarHBondContact O-N 2.93Å; Y49-V52 PolarHBondContact O-N 2.77Å; Y49-V53 HydrophobicContact CD1-CB 4.35Å; Y49-V53 HydrophobicContact CD2-CB 4.06Å; Y49-V53 HydrophobicContact CD2-CG1 4.5Å; Y49-V53 HydrophobicContact CD2-CG2 3.78Å; Y49-V53 HydrophobicContact CE1-CB 4.2Å; Y49-V53 HydrophobicContact CE1-CG1 4.29Å; Y49-V53 HydrophobicContact CE2-CB 3.91Å; Y49-V53 HydrophobicContact CE2-CG1 3.85Å; Y49-V53 HydrophobicContact CE2-CG2 3.89Å; Y49-V53 HydrophobicContact CG-CB 4.28Å; Y49-V53 HydrophobicContact CG-CG2 4.29Å; Y49-V53 WeakPolarHBondContact O-CA 3.41Å; Y49-V53 VanDerWaalsContact O-CB 3.3Å; Y49-V53 WeakPolarHBondContact O-CB 3.43Å; Y49-V53 PolarHBondContact O-N 2.84Å; Y49-D54 PolarHBondContact O-N 2.85Å
50	W	62.5	Low	69.5	Low	164 Å²	164	105.5 Å²	105.5	62%	0.621	54%	0.536	S	S	*	.	H	α-helix	trans	-62.6	-41.5	175.5	-174.2	71	0	0	0	112.2	G46 I47 D54 Q55	G46-W50 VanDerWaalsContact O-CB 3.28Å; G46-W50 WeakPolarHBondContact O-CB 3.48Å; G46-W50 PolarHBondContact O-N 2.79Å; I47-W50 PolarHBondContact O-N 3.41Å; W50-D54 HydrophobicContact CG-CB 4.41Å; W50-D54 CarbonylContact O-C 3.59Å; W50-D54 PolarHBondContact O-N 2.53Å; W50-Q55 PolarHBondContact O-N 3.32Å
51	Q	58.5	Low	69.4	Low	111 Å²	111	100.3 Å²	100.3	52%	0.519	51%	0.514	S	S	.	.	H	α-helix	trans	-72.5	-27	177.3	-73.7	-178.9	-37.1	0	0	114.9	I47 I48 Y49	I47-Q51 WeakPolarHBondContact O-CB 3.46Å; I47-Q51 WeakPolarHBondContact O-CG 3.47Å; I47-Q51 PolarHBondContact O-N 3.23Å; I48-Q51 PolarHBondContact O-N 3.08Å; Y49-Q51 PolarHBondContact O-N 2.93Å
52	V	57.8	Low	69.4	Low	111 Å²	111	94.6 Å²	94.6	67%	0.673	49%	0.489	S	S	*	.	H	α-helix	trans	-110	-25.1	-170.7	176.6	0	0	0	0	113.4	I48 Y49	I48-V52 HydrophobicContact CG2-CG2 4.12Å; I48-V52 VanDerWaalsContact O-CB 3.23Å; I48-V52 WeakPolarHBondContact O-CB 3.26Å; I48-V52 VanDerWaalsContact O-CG2 3.25Å; I48-V52 WeakPolarHBondContact O-CG2 3.49Å; I48-V52 PolarHBondContact O-N 2.93Å; Y49-V52 PolarHBondContact O-N 2.77Å
53	V	53.8	Low	69.5	Low	83 Å²	83	97.4 Å²	97.4	50%	0.503	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-34.6	-174.1	-170.6	0	0	0	0	112.2	Y49	Y49-V53 HydrophobicContact CD1-CB 4.35Å; Y49-V53 HydrophobicContact CD2-CB 4.06Å; Y49-V53 HydrophobicContact CD2-CG1 4.5Å; Y49-V53 HydrophobicContact CD2-CG2 3.78Å; Y49-V53 HydrophobicContact CE1-CB 4.2Å; Y49-V53 HydrophobicContact CE1-CG1 4.29Å; Y49-V53 HydrophobicContact CE2-CB 3.91Å; Y49-V53 HydrophobicContact CE2-CG1 3.85Å; Y49-V53 HydrophobicContact CE2-CG2 3.89Å; Y49-V53 HydrophobicContact CG-CB 4.28Å; Y49-V53 HydrophobicContact CG-CG2 4.29Å; Y49-V53 WeakPolarHBondContact O-CA 3.41Å; Y49-V53 VanDerWaalsContact O-CB 3.3Å; Y49-V53 WeakPolarHBondContact O-CB 3.43Å; Y49-V53 PolarHBondContact O-N 2.84Å
54	D	44.5	Very low	69.5	Low	97 Å²	97	92.4 Å²	92.4	52%	0.519	47%	0.467	S	S	.	.	S	Bend	trans	-102.5	5.6	-173.7	-147.8	41.5	0	0	0	113.9	Y49 W50 P56	Y49-D54 PolarHBondContact O-N 2.85Å; W50-D54 HydrophobicContact CG-CB 4.41Å; W50-D54 CarbonylContact O-C 3.59Å; W50-D54 PolarHBondContact O-N 2.53Å; D54-P56 VanDerWaalsContact O-CD 3.24Å; D54-P56 WeakPolarHBondContact O-CD 3.48Å
55	Q	43.3	Very low	69.6	Low	142 Å²	142	95.6 Å²	95.6	66%	0.664	49%	0.486	S	S	*	.	S	Bend	trans	-68.2	115.5	153.5	-77.4	-157	-20.6	0	0	107.5	W50 N57	W50-Q55 PolarHBondContact O-N 3.32Å; Q55-N57 PolarHBondContact O-N 2.85Å
56	P	45.8	Very low	69.8	Low	110 Å²	110	93.1 Å²	93.1	71%	0.714	47%	0.472	S	S	*	.			trans	-65.6	110.7	175.1	27.4	-32.8	0	0	0	107.9	D54 K58	D54-P56 VanDerWaalsContact O-CD 3.24Å; D54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-K58 PolarHBondContact O-N 3.16Å
57	N	51.5	Low	70.5	Confident	150 Å²	150	91.3 Å²	91.3	80%	0.802	45%	0.454	S	S	*	.			trans	-58.7	96	164.5	-94	-50.9	0	0	0	107.3	Q55 N59	Q55-N57 PolarHBondContact O-N 2.85Å; N57-N59 PolarHBondContact O-N 3.06Å; N57-N59 VanDerWaalsContact O-N 3.12Å
58	K	62.1	Low	71.1	Confident	57 Å²	57	87.2 Å²	87.2	25%	0.248	43%	0.433	C	S	.	.			trans	-54.9	120.4	177.3	-72.6	-178.5	170.7	-177	0	107.4	P56 W60 I70 Q81 D86	P56-K58 PolarHBondContact O-N 3.16Å; K58-W60 HydrophobicContact CB-CZ2 4.1Å; K58-W60 HydrophobicContact CD-CH2 4.29Å; K58-W60 HydrophobicContact CD-CZ2 3.95Å; K58-W60 PolarHBondContact O-N 2.83Å; K58-W60 PolarHBondContact O-NE1 2.95Å; K58-I70 HydrophobicContact CB-CD1 3.82Å; K58-I70 HydrophobicContact CD-CD1 3.98Å; K58-I70 HydrophobicContact CG-CD1 4.31Å; K58-Q81 VanDerWaalsContact NZ-NE2 3.17Å; K58-D86 IonicContact NZ-OD1 3.89Å; K58-D86 PolarHBondContact NZ-OD1 2.64Å; K58-D86 IonicContact NZ-OD2 3.63Å; K58-D86 PolarHBondContact NZ-OD2 2.69Å
59	N	72.1	Confident	71.8	Confident	133 Å²	133	82.4 Å²	82.4	71%	0.711	41%	0.408	S	S	*	.			trans	-79.1	76.1	-176.9	-71.5	-59.2	0	0	0	109	N57 I61	N57-N59 PolarHBondContact O-N 3.06Å; N57-N59 VanDerWaalsContact O-N 3.12Å; N59-I61 PolarHBondContact O-N 3.48Å
60	W	81.6	Confident	72.6	Confident	67 Å²	67	76.7 Å²	76.7	25%	0.254	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	125.8	175.1	-53	96.9	0	0	0	109.9	K58 R63 G68 L69 I70 Q81 L83	K58-W60 HydrophobicContact CB-CZ2 4.1Å; K58-W60 HydrophobicContact CD-CH2 4.29Å; K58-W60 HydrophobicContact CD-CZ2 3.95Å; K58-W60 PolarHBondContact O-N 2.83Å; K58-W60 PolarHBondContact O-NE1 2.95Å; W60-R63 HydrophobicContact CB-CB 4.28Å; W60-G68 VanDerWaalsContact CE3-CA 3.49Å; W60-L69 CarbonylContact C-O 3.46Å; W60-L69 WeakPolarHBondContact CA-O 3.48Å; W60-I70 HydrophobicContact CD2-CD1 3.78Å; W60-I70 HydrophobicContact CD2-CG1 3.97Å; W60-I70 HydrophobicContact CE3-CD1 3.33Å; W60-I70 HydrophobicContact CE3-CG1 3.55Å; W60-I70 HydrophobicContact CG-CG1 4.44Å; W60-I70 HydrophobicContact CH2-CD1 3.71Å; W60-I70 HydrophobicContact CZ2-CD1 4.11Å; W60-I70 HydrophobicContact CZ3-CD1 3.3Å; W60-I70 HydrophobicContact CZ3-CG1 4.01Å; W60-Q81 HydrophobicContact CH2-CG 3.87Å; W60-Q81 HydrophobicContact CZ3-CG 3.89Å; W60-L83 HydrophobicContact CD2-CD2 4.14Å; W60-L83 HydrophobicContact CE3-CD2 4.02Å; W60-L83 HydrophobicContact CH2-CD2 3.57Å; W60-L83 HydrophobicContact CZ2-CD2 3.69Å; W60-L83 HydrophobicContact CZ3-CD2 3.74Å
61	I	84.3	Confident	73.8	Confident	26 Å²	26	70.6 Å²	70.6	13%	0.133	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-50.1	171	-74.8	171.5	0	0	0	109.2	N59 L69 W71 L78 F106 F118	N59-I61 PolarHBondContact O-N 3.48Å; I61-L69 HydrophobicContact CB-CD2 4.37Å; I61-L69 HydrophobicContact CB-CG 4.29Å; I61-L69 HydrophobicContact CG2-CD2 4.04Å; I61-L69 PolarHBondContact N-O 2.65Å; I61-W71 HydrophobicContact CD1-CB 3.57Å; I61-L78 HydrophobicContact CD1-CD2 3.96Å; I61-F106 HydrophobicContact CD1-CD2 4.43Å; I61-F106 HydrophobicContact CD1-CE2 3.88Å; I61-F106 HydrophobicContact CD1-CZ 4.46Å; I61-F106 HydrophobicContact CG1-CE2 4.48Å; I61-F118 HydrophobicContact CG2-CB 3.74Å; I61-F118 HydrophobicContact CG2-CD1 3.54Å; I61-F118 HydrophobicContact CG2-CD2 3.65Å; I61-F118 HydrophobicContact CG2-CE1 3.96Å; I61-F118 HydrophobicContact CG2-CE2 4.06Å; I61-F118 HydrophobicContact CG2-CG 3.35Å; I61-F118 HydrophobicContact CG2-CZ 4.2Å
62	L	87.9	Confident	75	Confident	5 Å²	5	69 Å²	69	3%	0.026	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.5	172	-69.8	171.8	0	0	0	107.9	L69 K115 F118 I130 L132 Y143	L62-L69 HydrophobicContact CB-CB 4.45Å; L62-L69 PolarHBondContact O-N 3.39Å; L62-K115 VanDerWaalsContact CD2-O 3.32Å; L62-K115 WeakPolarHBondContact CD2-O 3.38Å; L62-F118 HydrophobicContact CD1-CB 4.21Å; L62-F118 HydrophobicContact CD2-CB 4.27Å; L62-F118 HydrophobicContact CG-CB 4.1Å; L62-I130 HydrophobicContact CD1-CB 4.2Å; L62-I130 HydrophobicContact CD1-CG2 3.75Å; L62-L132 HydrophobicContact CB-CB 4.37Å; L62-L132 HydrophobicContact CB-CD2 4.33Å; L62-L132 HydrophobicContact CD1-CB 3.93Å; L62-Y143 HydrophobicContact CB-CE1 4.19Å
63	R	88.2	Confident	76	Confident	164 Å²	164	70.5 Å²	70.5	62%	0.619	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	118.5	-177.2	176.3	175.3	178.5	169.2	5.6	109.2	W60 L83	W60-R63 HydrophobicContact CB-CB 4.28Å; R63-L83 HydrophobicContact CG-CD1 3.97Å; R63-L83 HydrophobicContact CG-CD2 4Å
64	G	87.6	Confident	77.1	Confident	13 Å²	13	77.4 Å²	77.4	13%	0.134	37%	0.367	C	S	.	.			trans	-85.4	-154.1	173.2	0	0	0	0	0	112.8	S67 L83	G64-S67 WeakPolarHBondContact CA-O 3.35Å; G64-S67 PolarHBondContact N-O 3.48Å; G64-L83 WeakPolarHBondContact O-CD1 3.34Å
65	T	88.3	Confident	78.7	Confident	107 Å²	107	75.9 Å²	75.9	66%	0.656	36%	0.361	S	S	*	.	S	Bend	trans	-87.2	-39.6	177.4	76.5	0	0	0	0	111.7	V134 E141	T65-V134 HydrophobicContact CG2-CG1 3.88Å; T65-E141 VanDerWaalsContact CA-OE1 3.26Å; T65-E141 WeakPolarHBondContact CA-OE1 3.41Å; T65-E141 VanDerWaalsContact CB-OE1 3.3Å; T65-E141 WeakPolarHBondContact CB-OE1 3.45Å; T65-E141 PolarHBondContact N-OE1 3.29Å; T65-E141 PolarHBondContact OG1-OE1 2.82Å
66	F	89	Confident	80.6	Confident	53 Å²	53	71.8 Å²	71.8	23%	0.232	34%	0.342	C	S	.	.	S	Bend	trans	-126.1	-22.4	179.2	69.9	-98.7	0	0	0	114.6	T82 L83 E141 V255	F66-T82 WeakPolarHBondContact O-CA 3.4Å; F66-L83 PolarHBondContact O-N 3.16Å; F66-E141 HydrophobicContact CD1-CG 4.13Å; F66-E141 VanDerWaalsContact CD1-OE1 3.24Å; F66-E141 WeakPolarHBondContact CD1-OE1 3.28Å; F66-E141 HydrophobicContact CE1-CB 4.37Å; F66-E141 HydrophobicContact CE1-CG 3.63Å; F66-E141 HydrophobicContact CZ-CB 4.22Å; F66-E141 HydrophobicContact CZ-CG 3.98Å; F66-E141 PolarHBondContact N-OE1 3.27Å; F66-V255 HydrophobicContact CE2-CG2 4.12Å; F66-V255 HydrophobicContact CZ-CG2 4.47Å
67	S	92.2	Very high	82.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	170.7	173.6	82.4	0	0	0	0	112.8	G64 Q81 L83 E141 Y143	G64-S67 WeakPolarHBondContact CA-O 3.35Å; G64-S67 PolarHBondContact N-O 3.48Å; S67-Q81 CarbonylContact C-O 3.56Å; S67-Q81 WeakPolarHBondContact CA-O 3.4Å; S67-L83 WeakPolarHBondContact O-CD2 3.45Å; S67-L83 WeakPolarHBondContact O-CG 3.15Å; S67-E141 WeakPolarHBondContact CA-OE2 3.22Å; S67-E141 VanDerWaalsContact CB-OE2 3.24Å; S67-E141 WeakPolarHBondContact CB-OE2 3.39Å; S67-E141 PolarHBondContact N-OE2 3.13Å; S67-E141 PolarHBondContact OG-OE2 3.12Å; S67-Y143 WeakPolarHBondContact OG-CE2 3.18Å; S67-Y143 PolarHBondContact OG-OH 3.37Å
68	G	91.1	Very high	84.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	156.2	169.2	0	0	0	0	0	112.3	W60 I80 Q81 Y143	W60-G68 VanDerWaalsContact CE3-CA 3.49Å; G68-I80 WeakPolarHBondContact O-CA 3.25Å; G68-Q81 PolarHBondContact N-O 2.73Å; G68-Q81 PolarHBondContact O-N 3.08Å; G68-Q81 VanDerWaalsContact O-N 3.13Å; G68-Y143 VanDerWaalsContact CA-OH 3.26Å; G68-Y143 WeakPolarHBondContact CA-OH 3.44Å; G68-Y143 PolarHBondContact N-OH 2.66Å
69	L	92.1	Very high	86.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.7	179.6	177.6	66.6	0	0	0	110.5	W60 I61 L62 L78 I80 I130 Y143 M145	W60-L69 CarbonylContact C-O 3.46Å; W60-L69 WeakPolarHBondContact CA-O 3.48Å; I61-L69 HydrophobicContact CB-CD2 4.37Å; I61-L69 HydrophobicContact CB-CG 4.29Å; I61-L69 HydrophobicContact CG2-CD2 4.04Å; I61-L69 PolarHBondContact N-O 2.65Å; L62-L69 HydrophobicContact CB-CB 4.45Å; L62-L69 PolarHBondContact O-N 3.39Å; L69-L78 HydrophobicContact CD1-CB 4.11Å; L69-L78 HydrophobicContact CD1-CD2 4.14Å; L69-L78 HydrophobicContact CG-CD2 4.48Å; L69-I80 HydrophobicContact CD1-CG1 3.7Å; L69-I130 HydrophobicContact CD2-CD1 3.8Å; L69-I130 HydrophobicContact CD2-CG2 3.9Å; L69-Y143 HydrophobicContact CB-CD1 4.08Å; L69-Y143 HydrophobicContact CB-CE1 3.68Å; L69-Y143 HydrophobicContact CD2-CD1 4.22Å; L69-M145 HydrophobicContact CD1-CE 4.31Å; L69-M145 HydrophobicContact CD2-CE 4.18Å
70	I	90.2	Very high	87.2	Confident	18 Å²	18	51.2 Å²	51.2	9%	0.092	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.6	175.3	-72.3	149.3	0	0	0	109.4	K58 W60 L78 V79	K58-I70 HydrophobicContact CB-CD1 3.82Å; K58-I70 HydrophobicContact CD-CD1 3.98Å; K58-I70 HydrophobicContact CG-CD1 4.31Å; W60-I70 HydrophobicContact CD2-CD1 3.78Å; W60-I70 HydrophobicContact CD2-CG1 3.97Å; W60-I70 HydrophobicContact CE3-CD1 3.33Å; W60-I70 HydrophobicContact CE3-CG1 3.55Å; W60-I70 HydrophobicContact CG-CG1 4.44Å; W60-I70 HydrophobicContact CH2-CD1 3.71Å; W60-I70 HydrophobicContact CZ2-CD1 4.11Å; W60-I70 HydrophobicContact CZ3-CD1 3.3Å; W60-I70 HydrophobicContact CZ3-CG1 4.01Å; I70-L78 WeakPolarHBondContact O-CA 3.32Å; I70-V79 PolarHBondContact N-O 2.92Å; I70-V79 PolarHBondContact O-N 3.24Å
71	W	87.1	Confident	87.7	Confident	36 Å²	36	48.9 Å²	48.9	14%	0.136	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.8	165.6	170.3	-96.1	0	0	0	109.9	I61 H76 S77 L78 V94 F106 W122	I61-W71 HydrophobicContact CD1-CB 3.57Å; W71-H76 HydrophobicContact CH2-CB 3.93Å; W71-H76 WeakPolarHBondContact CH2-O 3.12Å; W71-H76 HydrophobicContact CZ2-CB 3.99Å; W71-H76 VanDerWaalsContact CZ3-O 3.24Å; W71-H76 WeakPolarHBondContact CZ3-O 3.4Å; W71-S77 WeakPolarHBondContact CA-O 3.44Å; W71-L78 HydrophobicContact CB-CD2 4.46Å; W71-L78 HydrophobicContact CE3-CD2 3.86Å; W71-L78 HydrophobicContact CE3-CG 3.99Å; W71-L78 HydrophobicContact CZ3-CG 4.33Å; W71-V94 HydrophobicContact CH2-CB 4.3Å; W71-V94 HydrophobicContact CZ3-CB 4.02Å; W71-V94 HydrophobicContact CZ3-CG2 3.83Å; W71-F106 HydrophobicContact CB-CE2 3.64Å; W71-F106 HydrophobicContact CB-CZ 4.3Å; W71-F106 AromaticContact CD1-CE2 3.82Å; W71-F106 HydrophobicContact CD2-CE2 4.21Å; W71-F106 HydrophobicContact CD2-CZ 4.12Å; W71-F106 AromaticContact CG-CE2 3.62Å; W71-F106 HydrophobicContact CG-CE2 3.62Å; W71-F106 HydrophobicContact CG-CZ 4.02Å; W71-W122 HydrophobicContact CE3-CZ2 4.34Å; W71-W122 AromaticContact CH2-CZ2 3.91Å; W71-W122 HydrophobicContact CH2-CZ2 3.91Å; W71-W122 HydrophobicContact CZ2-CZ2 4.24Å; W71-W122 HydrophobicContact CZ3-CH2 4.35Å; W71-W122 AromaticContact CZ3-CZ2 3.97Å; W71-W122 HydrophobicContact CZ3-CZ2 3.97Å
72	E	85.3	Confident	88	Confident	77 Å²	77	48.4 Å²	48.4	36%	0.36	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.1	173.6	-180	44.8	-112.5	0	0	109.5	R74 T75 H76 S77 V79	E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 3.43Å; E72-R74 WeakPolarHBondContact OE1-CB 3.44Å; E72-R74 WeakPolarHBondContact OE1-CG 3.22Å; E72-R74 PolarHBondContact OE1-N 2.93Å; E72-T75 WeakPolarHBondContact CB-OG1 3.42Å; E72-T75 VanDerWaalsContact CG-OG1 3.28Å; E72-T75 WeakPolarHBondContact CG-OG1 3.33Å; E72-T75 PolarHBondContact O-OG1 2.76Å; E72-H76 WeakPolarHBondContact O-CA 3.23Å; E72-H76 PolarHBondContact O-N 3.36Å; E72-S77 PolarHBondContact N-O 2.91Å; E72-S77 PolarHBondContact O-N 2.88Å; E72-V79 HydrophobicContact CB-CG2 4.3Å
73	R	77.4	Confident	88	Confident	143 Å²	143	49.5 Å²	49.5	54%	0.54	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.8	-171.7	-63.2	-175.8	-174.1	-173.6	3.8	113.4
74	R	77	Confident	87.5	Confident	228 Å²	228	49.9 Å²	49.9	86%	0.86	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-35.8	-178.7	-67.5	175.8	174.6	-179.8	1.1	112.5	E72	E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 3.43Å; E72-R74 WeakPolarHBondContact OE1-CB 3.44Å; E72-R74 WeakPolarHBondContact OE1-CG 3.22Å; E72-R74 PolarHBondContact OE1-N 2.93Å
75	T	79.3	Confident	86.8	Confident	65 Å²	65	56.4 Å²	56.4	40%	0.399	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-18.1	-178.8	43.9	0	0	0	0	112.8	E72 S77	E72-T75 WeakPolarHBondContact CB-OG1 3.42Å; E72-T75 VanDerWaalsContact CG-OG1 3.28Å; E72-T75 WeakPolarHBondContact CG-OG1 3.33Å; E72-T75 PolarHBondContact O-OG1 2.76Å; T75-S77 WeakPolarHBondContact CB-OG 3.28Å; T75-S77 PolarHBondContact OG1-OG 3.43Å
76	H	81.8	Confident	86.2	Confident	55 Å²	55	56.3 Å²	56.3	26%	0.255	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	30.5	-169.7	-53.6	71.6	0	0	0	112.4	W71 E72 V94	W71-H76 HydrophobicContact CH2-CB 3.93Å; W71-H76 WeakPolarHBondContact CH2-O 3.12Å; W71-H76 HydrophobicContact CZ2-CB 3.99Å; W71-H76 VanDerWaalsContact CZ3-O 3.24Å; W71-H76 WeakPolarHBondContact CZ3-O 3.4Å; E72-H76 WeakPolarHBondContact O-CA 3.23Å; E72-H76 PolarHBondContact O-N 3.36Å; H76-V94 PolarHBondContact O-N 2.81Å
77	S	89.5	Confident	86.1	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	143.7	-175.8	62.7	0	0	0	0	113.4	W71 E72 T75 E91 I92	W71-S77 WeakPolarHBondContact CA-O 3.44Å; E72-S77 PolarHBondContact N-O 2.91Å; E72-S77 PolarHBondContact O-N 2.88Å; T75-S77 WeakPolarHBondContact CB-OG 3.28Å; T75-S77 PolarHBondContact OG1-OG 3.43Å; S77-E91 WeakPolarHBondContact CB-OE1 3.4Å; S77-E91 PolarHBondContact OG-OE1 2.77Å; S77-I92 CarbonylContact C-O 3.56Å; S77-I92 WeakPolarHBondContact CA-O 3.31Å; S77-I92 VanDerWaalsContact CB-O 3.3Å; S77-I92 WeakPolarHBondContact CB-O 3.11Å
78	L	92	Very high	86.2	Confident	1 Å²	1	62 Å²	62	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.1	164.5	-73.1	171.2	0	0	0	108.5	I61 L69 I70 W71 I92 V94 I130 W147	I61-L78 HydrophobicContact CD1-CD2 3.96Å; L69-L78 HydrophobicContact CD1-CB 4.11Å; L69-L78 HydrophobicContact CD1-CD2 4.14Å; L69-L78 HydrophobicContact CG-CD2 4.48Å; I70-L78 WeakPolarHBondContact O-CA 3.32Å; W71-L78 HydrophobicContact CB-CD2 4.46Å; W71-L78 HydrophobicContact CE3-CD2 3.86Å; W71-L78 HydrophobicContact CE3-CG 3.99Å; W71-L78 HydrophobicContact CZ3-CG 4.33Å; L78-I92 HydrophobicContact CB-CB 4.29Å; L78-I92 PolarHBondContact N-O 2.98Å; L78-I92 PolarHBondContact O-N 3.25Å; L78-V94 HydrophobicContact CD1-CG2 3.98Å; L78-V94 HydrophobicContact CG-CG2 4.03Å; L78-I130 HydrophobicContact CD1-CD1 4.37Å; L78-W147 HydrophobicContact CD1-CZ2 4.35Å
79	V	93.8	Very high	86.3	Confident	16 Å²	16	62.5 Å²	62.5	10%	0.097	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.3	-175.5	-176.4	0	0	0	0	109.5	I70 E72 T88 E91	I70-V79 PolarHBondContact N-O 2.92Å; I70-V79 PolarHBondContact O-N 3.24Å; E72-V79 HydrophobicContact CB-CG2 4.3Å; V79-T88 HydrophobicContact CG1-CG2 3.93Å; V79-E91 HydrophobicContact CG2-CG 4.21Å
80	I	94.7	Very high	86.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.6	170.5	-57.1	172	0	0	0	107.8	G68 L69 Y89 V90 Y143 V253 V255	G68-I80 WeakPolarHBondContact O-CA 3.25Å; L69-I80 HydrophobicContact CD1-CG1 3.7Å; I80-Y89 HydrophobicContact CG2-CD2 4.29Å; I80-Y89 PolarHBondContact O-N 3.48Å; I80-V90 HydrophobicContact CB-CG1 4.16Å; I80-V90 HydrophobicContact CD1-CG1 4.07Å; I80-V90 HydrophobicContact CG1-CG1 4.33Å; I80-V90 PolarHBondContact N-O 2.85Å; I80-V90 PolarHBondContact O-N 2.68Å; I80-Y143 HydrophobicContact CD1-CD2 3.81Å; I80-Y143 HydrophobicContact CD1-CE2 4.27Å; I80-Y143 HydrophobicContact CD1-CG 4.14Å; I80-Y143 HydrophobicContact CG2-CE2 3.98Å; I80-V253 HydrophobicContact CD1-CB 4.12Å; I80-V253 HydrophobicContact CD1-CG1 3.74Å; I80-V255 HydrophobicContact CG2-CG1 3.9Å; I80-V255 HydrophobicContact CG2-CG2 4.29Å
81	Q	93	Very high	86.8	Confident	19 Å²	19	64.7 Å²	64.7	9%	0.089	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.4	-178.3	67.9	-175.7	-26.1	0	0	112.1	K58 W60 S67 G68 R87	K58-Q81 VanDerWaalsContact NZ-NE2 3.17Å; W60-Q81 HydrophobicContact CH2-CG 3.87Å; W60-Q81 HydrophobicContact CZ3-CG 3.89Å; S67-Q81 CarbonylContact C-O 3.56Å; S67-Q81 WeakPolarHBondContact CA-O 3.4Å; G68-Q81 PolarHBondContact N-O 2.73Å; G68-Q81 PolarHBondContact O-N 3.08Å; G68-Q81 VanDerWaalsContact O-N 3.13Å; Q81-R87 CarbonylContact C-O 3.41Å; Q81-R87 VanDerWaalsContact CA-O 3.26Å; Q81-R87 WeakPolarHBondContact CA-O 3.4Å; Q81-R87 WeakPolarHBondContact CB-O 3.19Å
82	T	91.3	Very high	87.2	Confident	15 Å²	15	63 Å²	63	9%	0.092	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	149.1	174.2	66	0	0	0	0	111.8	F66 M84 E85 R87 Y89	F66-T82 WeakPolarHBondContact O-CA 3.4Å; T82-M84 VanDerWaalsContact C-N 3.29Å; T82-M84 PolarHBondContact O-N 2.97Å; T82-E85 PolarHBondContact OG1-N 3.18Å; T82-R87 HydrophobicContact CG2-CB 4.08Å; T82-R87 PolarHBondContact N-O 3.25Å; T82-R87 PolarHBondContact OG1-N 2.8Å; T82-Y89 HydrophobicContact CG2-CD2 4.45Å; T82-Y89 HydrophobicContact CG2-CE2 3.6Å
83	L	86.8	Confident	87.6	Confident	29 Å²	29	62.1 Å²	62.1	15%	0.152	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.3	178.5	-64	-179.7	0	0	0	114.3	W60 R63 G64 F66 S67	W60-L83 HydrophobicContact CD2-CD2 4.14Å; W60-L83 HydrophobicContact CE3-CD2 4.02Å; W60-L83 HydrophobicContact CH2-CD2 3.57Å; W60-L83 HydrophobicContact CZ2-CD2 3.69Å; W60-L83 HydrophobicContact CZ3-CD2 3.74Å; R63-L83 HydrophobicContact CG-CD1 3.97Å; R63-L83 HydrophobicContact CG-CD2 4Å; G64-L83 WeakPolarHBondContact O-CD1 3.34Å; F66-L83 PolarHBondContact O-N 3.16Å; S67-L83 WeakPolarHBondContact O-CD2 3.45Å; S67-L83 WeakPolarHBondContact O-CG 3.15Å
84	M	78.9	Confident	88.1	Confident	171 Å²	171	55.7 Å²	55.7	84%	0.842	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-27.2	-167.1	-66.9	-64.9	-64.8	0	0	114.8	T82	T82-M84 VanDerWaalsContact C-N 3.29Å; T82-M84 PolarHBondContact O-N 2.97Å
85	E	72	Confident	88.1	Confident	151 Å²	151	45.6 Å²	45.6	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.4	6.8	-166.8	-60.7	-172.8	147	0	0	113.7	T82 R87	T82-E85 PolarHBondContact OG1-N 3.18Å; E85-R87 PolarHBondContact O-N 3.25Å
86	D	75.3	Confident	87.6	Confident	104 Å²	104	46.9 Å²	46.9	56%	0.556	24%	0.237	S	C	*	.			trans	53.9	24.2	-178	-85.5	24.3	0	0	0	114.4	K58 T88	K58-D86 IonicContact NZ-OD1 3.89Å; K58-D86 PolarHBondContact NZ-OD1 2.64Å; K58-D86 IonicContact NZ-OD2 3.63Å; K58-D86 PolarHBondContact NZ-OD2 2.69Å; D86-T88 PolarHBondContact O-N 2.62Å
87	R	88.1	Confident	86.7	Confident	108 Å²	108	45.9 Å²	45.9	41%	0.408	23%	0.234	S	C	.	.			trans	-84.9	111.4	178.1	177	-179.7	167.9	-171.6	-6.5	110	Q81 T82 E85 S214	Q81-R87 CarbonylContact C-O 3.41Å; Q81-R87 VanDerWaalsContact CA-O 3.26Å; Q81-R87 WeakPolarHBondContact CA-O 3.4Å; Q81-R87 WeakPolarHBondContact CB-O 3.19Å; T82-R87 HydrophobicContact CG2-CB 4.08Å; T82-R87 PolarHBondContact N-O 3.25Å; T82-R87 PolarHBondContact OG1-N 2.8Å; E85-R87 PolarHBondContact O-N 3.25Å; R87-S214 PolarHBondContact NH2-O 3.33Å
88	T	93	Very high	84.8	Confident	66 Å²	66	48.2 Å²	48.2	41%	0.405	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134.5	170.1	-53.2	0	0	0	0	111.4	V79 D86	V79-T88 HydrophobicContact CG1-CG2 3.93Å; D86-T88 PolarHBondContact O-N 2.62Å
89	Y	94.4	Very high	82.6	Confident	9 Å²	9	53.1 Å²	53.1	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-49	167.6	-77.9	-72.2	0	0	0	111.3	I80 T82 S214 V255 A256	I80-Y89 HydrophobicContact CG2-CD2 4.29Å; I80-Y89 PolarHBondContact O-N 3.48Å; T82-Y89 HydrophobicContact CG2-CD2 4.45Å; T82-Y89 HydrophobicContact CG2-CE2 3.6Å; Y89-S214 WeakPolarHBondContact O-CB 3.45Å; Y89-S214 PolarHBondContact O-OG 3.35Å; Y89-V255 HydrophobicContact CD1-CB 4.07Å; Y89-V255 HydrophobicContact CD1-CG1 4.01Å; Y89-V255 HydrophobicContact CD2-CB 4.04Å; Y89-V255 HydrophobicContact CD2-CG1 3.94Å; Y89-V255 HydrophobicContact CD2-CG2 4.31Å; Y89-V255 HydrophobicContact CE1-CB 4.23Å; Y89-V255 HydrophobicContact CE2-CB 4.19Å; Y89-V255 HydrophobicContact CE2-CG2 4.3Å; Y89-V255 HydrophobicContact CG-CB 3.96Å; Y89-V255 HydrophobicContact CG-CG1 3.6Å; Y89-A256 WeakPolarHBondContact CE1-O 3.3Å; Y89-A256 PolarHBondContact OH-O 2.74Å
90	V	96.3	Very high	80.3	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	148.8	177	63.9	0	0	0	0	110.4	I80 I92 F160 W167 V216 V253	I80-V90 HydrophobicContact CB-CG1 4.16Å; I80-V90 HydrophobicContact CD1-CG1 4.07Å; I80-V90 HydrophobicContact CG1-CG1 4.33Å; I80-V90 PolarHBondContact N-O 2.85Å; I80-V90 PolarHBondContact O-N 2.68Å; V90-I92 HydrophobicContact CG1-CD1 4.49Å; V90-I92 HydrophobicContact CG1-CG1 4.37Å; V90-I92 HydrophobicContact CG2-CG1 4.09Å; V90-F160 HydrophobicContact CG2-CD1 4.12Å; V90-W167 HydrophobicContact CG2-CH2 4.15Å; V90-W167 HydrophobicContact CG2-CZ2 3.89Å; V90-V216 HydrophobicContact CB-CG1 4.38Å; V90-V216 HydrophobicContact CB-CG2 4.07Å; V90-V216 HydrophobicContact CG1-CG2 3.89Å; V90-V253 HydrophobicContact CG1-CG1 4.02Å
91	E	96.1	Very high	78	Confident	63 Å²	63	63.1 Å²	63.1	29%	0.294	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.8	166.2	174.5	169.4	-147.9	0	0	108.2	S77 V79 S161	S77-E91 WeakPolarHBondContact CB-OE1 3.4Å; S77-E91 PolarHBondContact OG-OE1 2.77Å; V79-E91 HydrophobicContact CG2-CG 4.21Å; E91-S161 WeakPolarHBondContact O-CB 3.02Å; E91-S161 PolarHBondContact O-N 2.73Å
92	I	95.7	Very high	75.9	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	106	-177.6	-47.9	173.6	0	0	0	108.1	S77 L78 V90 D158 C159 F160 Y251 V253	S77-I92 CarbonylContact C-O 3.56Å; S77-I92 WeakPolarHBondContact CA-O 3.31Å; S77-I92 VanDerWaalsContact CB-O 3.3Å; S77-I92 WeakPolarHBondContact CB-O 3.11Å; L78-I92 HydrophobicContact CB-CB 4.29Å; L78-I92 PolarHBondContact N-O 2.98Å; L78-I92 PolarHBondContact O-N 3.25Å; V90-I92 HydrophobicContact CG1-CD1 4.49Å; V90-I92 HydrophobicContact CG1-CG1 4.37Å; V90-I92 HydrophobicContact CG2-CG1 4.09Å; I92-D158 HydrophobicContact CG2-CB 3.92Å; I92-C159 CarbonylContact C-O 3.58Å; I92-C159 VanDerWaalsContact CA-O 3.25Å; I92-C159 WeakPolarHBondContact CA-O 3.36Å; I92-F160 HydrophobicContact CD1-CD1 4.08Å; I92-F160 HydrophobicContact CD1-CE1 3.65Å; I92-F160 HydrophobicContact CD1-CZ 4.48Å; I92-F160 HydrophobicContact CG1-CD1 3.8Å; I92-F160 HydrophobicContact CG1-CE1 3.88Å; I92-F160 HydrophobicContact CG2-CD1 4.41Å; I92-F160 HydrophobicContact CG2-CE1 4.26Å; I92-F160 HydrophobicContact CG2-CZ 4.39Å; I92-Y251 HydrophobicContact CD1-CE2 4.31Å; I92-V253 HydrophobicContact CD1-CG2 4.16Å
93	D	93.3	Very high	73.7	Confident	59 Å²	59	75.3 Å²	75.3	32%	0.316	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.9	171.8	171.6	37.6	0	0	0	109.9	C159	D93-C159 HydrophobicContact CB-CB 4.23Å; D93-C159 PolarHBondContact N-O 2.82Å; D93-C159 PolarHBondContact O-N 2.85Å
94	V	88.6	Confident	71.9	Confident	7 Å²	7	77.7 Å²	77.7	4%	0.042	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	97.5	-174.1	-176.5	0	0	0	0	109.5	W71 H76 L78 V97 W147	W71-V94 HydrophobicContact CH2-CB 4.3Å; W71-V94 HydrophobicContact CZ3-CB 4.02Å; W71-V94 HydrophobicContact CZ3-CG2 3.83Å; H76-V94 PolarHBondContact O-N 2.81Å; L78-V94 HydrophobicContact CD1-CG2 3.98Å; L78-V94 HydrophobicContact CG-CG2 4.03Å; V94-V97 HydrophobicContact CB-CG2 4.44Å; V94-V97 HydrophobicContact CG1-CG2 3.6Å; V94-W147 HydrophobicContact CG1-CH2 3.43Å; V94-W147 VanDerWaalsContact CG1-CH2 3.43Å; V94-W147 HydrophobicContact CG1-CZ2 3.55Å; V94-W147 HydrophobicContact CG1-CZ3 4.35Å; V94-W147 HydrophobicContact CG2-CZ2 4.18Å
95	G	77.3	Confident	70.5	Confident	16 Å²	16	72 Å²	72	17%	0.165	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	159.7	-174.3	0	0	0	0	0	114.5	V97 K157	G95-V97 PolarHBondContact O-N 2.86Å; G95-K157 WeakPolarHBondContact CA-O 3.48Å; G95-K157 PolarHBondContact N-O 2.8Å
96	N	68.1	Low	69.6	Low	93 Å²	93	67.1 Å²	67.1	50%	0.497	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	8.4	177.9	-63.8	-17.4	0	0	0	116.2	E155	N96-E155 PolarHBondContact ND2-O 3.04Å
97	V	61.7	Low	68.4	Low	33 Å²	33	66.9 Å²	66.9	20%	0.2	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-70.7	147	167.2	178.7	0	0	0	0	110.2	V94 G95 W122	V94-V97 HydrophobicContact CB-CG2 4.44Å; V94-V97 HydrophobicContact CG1-CG2 3.6Å; G95-V97 PolarHBondContact O-N 2.86Å; V97-W122 VanDerWaalsContact CG1-CD1 3.46Å; V97-W122 HydrophobicContact CG1-CG 4.23Å
98	G	50.4	Low	67.1	Low	50 Å²	50	70.7 Å²	70.7	52%	0.515	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-68.6	173.2	-167.4	0	0	0	0	0	117
99	N	46	Very low	65.9	Low	105 Å²	105	69 Å²	69	56%	0.561	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-51	135.1	-170.5	-174.2	83.5	0	0	0	114.9	D101	N99-D101 VanDerWaalsContact C-N 3.28Å; N99-D101 PolarHBondContact ND2-N 2.94Å; N99-D101 PolarHBondContact ND2-OD2 2.69Å; N99-D101 PolarHBondContact O-N 3.16Å; N99-D101 VanDerWaalsContact O-N 3.1Å
100	P	45.8	Very low	64.9	Low	90 Å²	90	74 Å²	74	58%	0.584	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-11.2	-167	26.8	-37.6	0	0	0	116.6	V102	P100-V102 PolarHBondContact O-N 3.19Å; P100-V102 VanDerWaalsContact O-N 3.16Å
101	D	45.8	Very low	64	Low	135 Å²	135	75.6 Å²	75.6	72%	0.722	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.4	-178.7	-60.4	-60.3	0	0	0	114.4	N99 E103	N99-D101 VanDerWaalsContact C-N 3.28Å; N99-D101 PolarHBondContact ND2-N 2.94Å; N99-D101 PolarHBondContact ND2-OD2 2.69Å; N99-D101 PolarHBondContact O-N 3.16Å; N99-D101 VanDerWaalsContact O-N 3.1Å; D101-E103 PolarHBondContact O-N 2.84Å
102	V	49.8	Very low	62.6	Low	100 Å²	100	82 Å²	82	61%	0.606	44%	0.437	S	S	*	.			trans	-86.9	94.4	-177.2	-177.7	0	0	0	0	110.4	P100 V104	P100-V102 PolarHBondContact O-N 3.19Å; P100-V102 VanDerWaalsContact O-N 3.16Å; V102-V104 HydrophobicContact CG1-CB 3.9Å; V102-V104 HydrophobicContact CG1-CG2 3.56Å; V102-V104 PolarHBondContact O-N 2.84Å
103	E	44.8	Very low	61.4	Low	191 Å²	191	90.6 Å²	90.6	89%	0.893	48%	0.482	S	S	*	.			trans	-68.6	52.6	172	-67.9	-163	126.9	0	0	113.5	D101 P105	D101-E103 PolarHBondContact O-N 2.84Å; E103-P105 WeakPolarHBondContact O-CD 3.49Å
104	V	47.5	Very low	60.4	Low	78 Å²	78	90.7 Å²	90.7	47%	0.473	48%	0.483	S	S	.	.			trans	-103.8	106.1	172	175.1	0	0	0	0	108	V102	V102-V104 HydrophobicContact CG1-CB 3.9Å; V102-V104 HydrophobicContact CG1-CG2 3.56Å; V102-V104 PolarHBondContact O-N 2.84Å
105	P	49.8	Very low	59.8	Low	51 Å²	51	99.5 Å²	99.5	33%	0.331	52%	0.521	S	S	.	.			trans	-57.1	173.2	163.5	-20.2	30.6	0	0	0	110.9	E103 V107	E103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-V107 HydrophobicContact CB-CG2 3.81Å; P105-V107 HydrophobicContact CG-CG2 3.97Å; P105-V107 WeakPolarHBondContact O-CG2 3.5Å; P105-V107 PolarHBondContact O-N 2.95Å
106	F	54.3	Low	60.1	Low	50 Å²	50	101.4 Å²	101.4	22%	0.219	53%	0.529	C	S	.	.	S	Bend	trans	-68.9	65.7	160.8	-63.2	-67.5	0	0	0	111.2	I61 W71 R108 F118 Y120 W122	I61-F106 HydrophobicContact CD1-CD2 4.43Å; I61-F106 HydrophobicContact CD1-CE2 3.88Å; I61-F106 HydrophobicContact CD1-CZ 4.46Å; I61-F106 HydrophobicContact CG1-CE2 4.48Å; W71-F106 HydrophobicContact CB-CE2 3.64Å; W71-F106 HydrophobicContact CB-CZ 4.3Å; W71-F106 AromaticContact CD1-CE2 3.82Å; W71-F106 HydrophobicContact CD2-CE2 4.21Å; W71-F106 HydrophobicContact CD2-CZ 4.12Å; W71-F106 AromaticContact CG-CE2 3.62Å; W71-F106 HydrophobicContact CG-CE2 3.62Å; W71-F106 HydrophobicContact CG-CZ 4.02Å; F106-R108 PolarHBondContact O-N 2.83Å; F106-F118 HydrophobicContact CB-CE2 4.2Å; F106-F118 HydrophobicContact CB-CZ 3.93Å; F106-F118 HydrophobicContact CD1-CE1 4.25Å; F106-F118 AromaticContact CD1-CZ 3.58Å; F106-F118 HydrophobicContact CD1-CZ 3.58Å; F106-F118 HydrophobicContact CD2-CZ 4.06Å; F106-F118 HydrophobicContact CE1-CE1 4.2Å; F106-F118 AromaticContact CE1-CZ 3.96Å; F106-F118 HydrophobicContact CE1-CZ 3.96Å; F106-F118 HydrophobicContact CE2-CZ 4.42Å; F106-F118 HydrophobicContact CG-CE2 4.33Å; F106-F118 AromaticContact CG-CZ 3.61Å; F106-F118 HydrophobicContact CG-CZ 3.61Å; F106-F118 HydrophobicContact CZ-CZ 4.37Å; F106-Y120 AromaticContact CD1-CD1 3.67Å; F106-Y120 HydrophobicContact CD1-CD1 3.67Å; F106-Y120 AromaticContact CD1-CD2 3.67Å; F106-Y120 HydrophobicContact CD1-CD2 3.67Å; F106-Y120 AromaticContact CD1-CE1 3.82Å; F106-Y120 HydrophobicContact CD1-CE1 3.82Å; F106-Y120 AromaticContact CD1-CE2 3.82Å; F106-Y120 HydrophobicContact CD1-CE2 3.82Å; F106-Y120 AromaticContact CD1-CG 3.57Å; F106-Y120 HydrophobicContact CD1-CG 3.57Å; F106-Y120 AromaticContact CD1-CZ 3.89Å; F106-Y120 AromaticContact CE1-CD1 3.49Å; F106-Y120 HydrophobicContact CE1-CD1 3.49Å; F106-Y120 VanDerWaalsContact CE1-CD1 3.49Å; F106-Y120 HydrophobicContact CE1-CD2 4.36Å; F106-Y120 AromaticContact CE1-CE1 3.72Å; F106-Y120 HydrophobicContact CE1-CE1 3.72Å; F106-Y120 AromaticContact CE1-CG 3.82Å; F106-Y120 HydrophobicContact CE1-CG 3.82Å; F106-W122 AromaticContact CE1-CH2 3.84Å; F106-W122 HydrophobicContact CE1-CH2 3.84Å; F106-W122 AromaticContact CE1-CZ2 3.62Å; F106-W122 HydrophobicContact CE1-CZ2 3.62Å; F106-W122 AromaticContact CZ-CH2 3.84Å; F106-W122 HydrophobicContact CZ-CH2 3.84Å; F106-W122 AromaticContact CZ-CZ2 3.59Å; F106-W122 HydrophobicContact CZ-CZ2 3.59Å
107	V	50.5	Low	61.1	Low	99 Å²	99	99.2 Å²	99.2	60%	0.6	52%	0.516	S	S	*	.			trans	-67.8	-18	-177.5	-178.6	0	0	0	0	111.4	P105	P105-V107 HydrophobicContact CB-CG2 3.81Å; P105-V107 HydrophobicContact CG-CG2 3.97Å; P105-V107 WeakPolarHBondContact O-CG2 3.5Å; P105-V107 PolarHBondContact O-N 2.95Å
108	R	59.7	Low	62.3	Low	187 Å²	187	98.1 Å²	98.1	71%	0.706	51%	0.508	S	S	*	.			trans	-135.1	80.9	-178.2	-65	-178.6	178	173.8	0.1	111.1	F106 L110	F106-R108 PolarHBondContact O-N 2.83Å; R108-L110 PolarHBondContact O-N 2.94Å
109	N	68.2	Low	64.1	Low	30 Å²	30	96.4 Å²	96.4	16%	0.16	49%	0.488	C	S	.	.			trans	-65	110.3	153.3	179.5	3.6	0	0	0	107.1	C111 W112 E117 F118 C119	N109-C111 PolarHBondContact O-N 3.01Å; N109-C111 WeakPolarHBondContact OD1-CA 2.98Å; N109-C111 PolarHBondContact OD1-N 3.4Å; N109-W112 HydrophobicContact CB-CE3 4.38Å; N109-W112 WeakPolarHBondContact O-CB 3.49Å; N109-W112 PolarHBondContact O-N 3.01Å; N109-E117 PolarHBondContact ND2-O 2.94Å; N109-F118 HydrophobicContact CB-CD2 4Å; N109-F118 HydrophobicContact CB-CE2 4.03Å; N109-C119 CarbonylContact C-O 3.49Å; N109-C119 WeakPolarHBondContact CA-O 3.41Å; N109-C119 PolarHBondContact OD1-N 3.12Å; N109-C119 PolarHBondContact OD1-O 2.8Å
110	L	73.3	Confident	65.9	Low	114 Å²	114	92.7 Å²	92.7	60%	0.597	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.8	179.8	-61.8	173.9	0	0	0	112	R108 C119	R108-L110 PolarHBondContact O-N 2.94Å; L110-C119 HydrophobicContact CB-CB 4.01Å; L110-C119 PolarHBondContact N-O 2.92Å
111	C	76.8	Confident	67.7	Low	36 Å²	36	90.7 Å²	90.7	24%	0.243	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	19.3	178.5	-67	0	0	0	0	113.6	N109 L113 N114 E117 C119	N109-C111 PolarHBondContact O-N 3.01Å; N109-C111 WeakPolarHBondContact OD1-CA 2.98Å; N109-C111 PolarHBondContact OD1-N 3.4Å; C111-L113 PolarHBondContact O-N 2.98Å; C111-N114 PolarHBondContact O-N 3.2Å; C111-E117 HydrophobicContact CB-CB 4.03Å; C111-C119 HydrophobicContact CB-CB 3.72Å; C111-C119 WeakPolarHBondContact CB-SG 3.34Å; C111-C119 WeakPolarHBondContact SG-CB 3.4Å; C111-C119 CovalentContact SG-SG 2.03Å; C111-C119 PolarHBondContact SG-SG 3.41Å
112	W	67.3	Low	69.2	Low	199 Å²	199	85.5 Å²	85.5	75%	0.754	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.4	-29.5	-175.4	-171.2	-71.1	0	0	0	116.5	N109 N114	N109-W112 HydrophobicContact CB-CE3 4.38Å; N109-W112 WeakPolarHBondContact O-CB 3.49Å; N109-W112 PolarHBondContact O-N 3.01Å; W112-N114 VanDerWaalsContact C-N 3.29Å; W112-N114 PolarHBondContact O-N 2.83Å
113	L	69.4	Low	70.3	Confident	180 Å²	180	87.1 Å²	87.1	94%	0.942	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28	178.4	-68.4	173.7	0	0	0	113.5	C111	C111-L113 PolarHBondContact O-N 2.98Å
114	N	72.8	Confident	71.6	Confident	61 Å²	61	82.7 Å²	82.7	33%	0.326	42%	0.418	S	S	.	.			trans	-104.8	133.8	177.2	-171.1	5.6	0	0	0	110.5	C111 W112 T116 E117	C111-N114 PolarHBondContact O-N 3.2Å; W112-N114 VanDerWaalsContact C-N 3.29Å; W112-N114 PolarHBondContact O-N 2.83Å; N114-T116 PolarHBondContact ND2-OG1 3.28Å; N114-T116 PolarHBondContact OD1-N 3.24Å; N114-T116 PolarHBondContact OD1-OG1 3.39Å; N114-T116 VanDerWaalsContact OD1-OG1 3.11Å; N114-E117 HydrophobicContact CB-CB 4.21Å; N114-E117 VanDerWaalsContact ND2-CD 3.32Å; N114-E117 WeakPolarHBondContact ND2-CG 3.25Å; N114-E117 PolarHBondContact ND2-OE2 2.88Å
115	K	76.4	Confident	73.1	Confident	192 Å²	192	79.9 Å²	79.9	84%	0.835	40%	0.401	S	S	*	.	S	Bend	trans	-85.7	-14.8	-179.7	-69.8	-176.7	177.4	180	0	113.8	L62	L62-K115 VanDerWaalsContact CD2-O 3.32Å; L62-K115 WeakPolarHBondContact CD2-O 3.38Å
116	T	83.9	Confident	74.8	Confident	56 Å²	56	77.5 Å²	77.5	34%	0.344	39%	0.386	S	S	.	.	S	Bend	trans	-95.4	-5.2	175.2	58.5	0	0	0	0	113.1	N114 S131 L132	N114-T116 PolarHBondContact ND2-OG1 3.28Å; N114-T116 PolarHBondContact OD1-N 3.24Å; N114-T116 PolarHBondContact OD1-OG1 3.39Å; N114-T116 VanDerWaalsContact OD1-OG1 3.11Å; T116-S131 WeakPolarHBondContact O-CA 3.18Å; T116-L132 WeakPolarHBondContact CB-O 3.39Å; T116-L132 PolarHBondContact O-N 2.59Å
117	E	88.1	Confident	76.4	Confident	47 Å²	47	80.2 Å²	80.2	22%	0.22	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.6	-180	-70.6	175.2	128	0	0	112.3	N109 C111 N114 K129 I130	N109-E117 PolarHBondContact ND2-O 2.94Å; C111-E117 HydrophobicContact CB-CB 4.03Å; N114-E117 HydrophobicContact CB-CB 4.21Å; N114-E117 VanDerWaalsContact ND2-CD 3.32Å; N114-E117 WeakPolarHBondContact ND2-CG 3.25Å; N114-E117 PolarHBondContact ND2-OE2 2.88Å; E117-K129 WeakPolarHBondContact OE1-CE 3.22Å; E117-K129 IonicContact OE1-NZ 2.74Å; E117-K129 PolarHBondContact OE1-NZ 2.89Å; E117-I130 WeakPolarHBondContact CA-O 3.17Å
118	F	87.8	Confident	78.2	Confident	10 Å²	10	75.9 Å²	75.9	4%	0.044	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.8	174.1	179.2	-98.3	0	0	0	109.7	I61 L62 F106 N109 V128 I130	I61-F118 HydrophobicContact CG2-CB 3.74Å; I61-F118 HydrophobicContact CG2-CD1 3.54Å; I61-F118 HydrophobicContact CG2-CD2 3.65Å; I61-F118 HydrophobicContact CG2-CE1 3.96Å; I61-F118 HydrophobicContact CG2-CE2 4.06Å; I61-F118 HydrophobicContact CG2-CG 3.35Å; I61-F118 HydrophobicContact CG2-CZ 4.2Å; L62-F118 HydrophobicContact CD1-CB 4.21Å; L62-F118 HydrophobicContact CD2-CB 4.27Å; L62-F118 HydrophobicContact CG-CB 4.1Å; F106-F118 HydrophobicContact CB-CE2 4.2Å; F106-F118 HydrophobicContact CB-CZ 3.93Å; F106-F118 HydrophobicContact CD1-CE1 4.25Å; F106-F118 AromaticContact CD1-CZ 3.58Å; F106-F118 HydrophobicContact CD1-CZ 3.58Å; F106-F118 HydrophobicContact CD2-CZ 4.06Å; F106-F118 HydrophobicContact CE1-CE1 4.2Å; F106-F118 AromaticContact CE1-CZ 3.96Å; F106-F118 HydrophobicContact CE1-CZ 3.96Å; F106-F118 HydrophobicContact CE2-CZ 4.42Å; F106-F118 HydrophobicContact CG-CE2 4.33Å; F106-F118 AromaticContact CG-CZ 3.61Å; F106-F118 HydrophobicContact CG-CZ 3.61Å; F106-F118 HydrophobicContact CZ-CZ 4.37Å; N109-F118 HydrophobicContact CB-CD2 4Å; N109-F118 HydrophobicContact CB-CE2 4.03Å; F118-V128 HydrophobicContact CE1-CG1 4.48Å; F118-I130 HydrophobicContact CB-CB 4.4Å; F118-I130 HydrophobicContact CD1-CD1 4.14Å; F118-I130 HydrophobicContact CD1-CG1 4.41Å; F118-I130 PolarHBondContact N-O 3.3Å; F118-I130 PolarHBondContact O-N 3.01Å
119	C	87.3	Confident	79.8	Confident	13 Å²	13	71.1 Å²	71.1	9%	0.088	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.6	-175.2	-55	0	0	0	0	109.5	N109 L110 C111 V128	N109-C119 CarbonylContact C-O 3.49Å; N109-C119 WeakPolarHBondContact CA-O 3.41Å; N109-C119 PolarHBondContact OD1-N 3.12Å; N109-C119 PolarHBondContact OD1-O 2.8Å; L110-C119 HydrophobicContact CB-CB 4.01Å; L110-C119 PolarHBondContact N-O 2.92Å; C111-C119 HydrophobicContact CB-CB 3.72Å; C111-C119 WeakPolarHBondContact CB-SG 3.34Å; C111-C119 WeakPolarHBondContact SG-CB 3.4Å; C111-C119 CovalentContact SG-SG 2.03Å; C111-C119 PolarHBondContact SG-SG 3.41Å; C119-V128 WeakPolarHBondContact CA-O 3.27Å
120	Y	85.2	Confident	81	Confident	28 Å²	28	69.7 Å²	69.7	11%	0.11	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.1	-177.2	-178	-105.3	0	0	0	111.5	F106 W122 V128	F106-Y120 AromaticContact CD1-CD1 3.67Å; F106-Y120 HydrophobicContact CD1-CD1 3.67Å; F106-Y120 AromaticContact CD1-CD2 3.67Å; F106-Y120 HydrophobicContact CD1-CD2 3.67Å; F106-Y120 AromaticContact CD1-CE1 3.82Å; F106-Y120 HydrophobicContact CD1-CE1 3.82Å; F106-Y120 AromaticContact CD1-CE2 3.82Å; F106-Y120 HydrophobicContact CD1-CE2 3.82Å; F106-Y120 AromaticContact CD1-CG 3.57Å; F106-Y120 HydrophobicContact CD1-CG 3.57Å; F106-Y120 AromaticContact CD1-CZ 3.89Å; F106-Y120 AromaticContact CE1-CD1 3.49Å; F106-Y120 HydrophobicContact CE1-CD1 3.49Å; F106-Y120 VanDerWaalsContact CE1-CD1 3.49Å; F106-Y120 HydrophobicContact CE1-CD2 4.36Å; F106-Y120 AromaticContact CE1-CE1 3.72Å; F106-Y120 HydrophobicContact CE1-CE1 3.72Å; F106-Y120 AromaticContact CE1-CG 3.82Å; F106-Y120 HydrophobicContact CE1-CG 3.82Å; Y120-W122 AromaticContact CD1-CD2 3.64Å; Y120-W122 HydrophobicContact CD1-CD2 3.64Å; Y120-W122 AromaticContact CD1-CE3 3.67Å; Y120-W122 HydrophobicContact CD1-CE3 3.67Å; Y120-W122 HydrophobicContact CD1-CG 4.12Å; Y120-W122 HydrophobicContact CD1-CH2 4.49Å; Y120-W122 HydrophobicContact CD1-CZ2 4.45Å; Y120-W122 HydrophobicContact CD1-CZ3 4.11Å; Y120-W122 HydrophobicContact CE1-CB 4.48Å; Y120-W122 AromaticContact CE1-CD1 3.9Å; Y120-W122 AromaticContact CE1-CD2 3.69Å; Y120-W122 HydrophobicContact CE1-CD2 3.69Å; Y120-W122 AromaticContact CE1-CE2 3.86Å; Y120-W122 HydrophobicContact CE1-CE3 4.22Å; Y120-W122 AromaticContact CE1-CG 3.78Å; Y120-W122 HydrophobicContact CE1-CG 3.78Å; Y120-W122 AromaticContact CE1-NE1 3.93Å; Y120-V128 PolarHBondContact N-O 3.11Å; Y120-V128 VanDerWaalsContact N-O 3.08Å; Y120-V128 PolarHBondContact O-N 2.77Å
121	T	83.1	Confident	81.9	Confident	48 Å²	48	65.4 Å²	65.4	29%	0.294	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.8	175.3	-51	0	0	0	0	108.4	D123 E127	T121-D123 PolarHBondContact O-N 3.47Å; T121-E127 HydrophobicContact CG2-CG 3.91Å
122	W	77.8	Confident	82.6	Confident	26 Å²	26	64 Å²	64	10%	0.098	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	113.6	166.7	-90.2	-81.5	0	0	0	109.3	W71 V97 F106 Y120 S124 V125 A126 V128 W147	W71-W122 HydrophobicContact CE3-CZ2 4.34Å; W71-W122 AromaticContact CH2-CZ2 3.91Å; W71-W122 HydrophobicContact CH2-CZ2 3.91Å; W71-W122 HydrophobicContact CZ2-CZ2 4.24Å; W71-W122 HydrophobicContact CZ3-CH2 4.35Å; W71-W122 AromaticContact CZ3-CZ2 3.97Å; W71-W122 HydrophobicContact CZ3-CZ2 3.97Å; V97-W122 VanDerWaalsContact CG1-CD1 3.46Å; V97-W122 HydrophobicContact CG1-CG 4.23Å; F106-W122 AromaticContact CE1-CH2 3.84Å; F106-W122 HydrophobicContact CE1-CH2 3.84Å; F106-W122 AromaticContact CE1-CZ2 3.62Å; F106-W122 HydrophobicContact CE1-CZ2 3.62Å; F106-W122 AromaticContact CZ-CH2 3.84Å; F106-W122 HydrophobicContact CZ-CH2 3.84Å; F106-W122 AromaticContact CZ-CZ2 3.59Å; F106-W122 HydrophobicContact CZ-CZ2 3.59Å; Y120-W122 AromaticContact CD1-CD2 3.64Å; Y120-W122 HydrophobicContact CD1-CD2 3.64Å; Y120-W122 AromaticContact CD1-CE3 3.67Å; Y120-W122 HydrophobicContact CD1-CE3 3.67Å; Y120-W122 HydrophobicContact CD1-CG 4.12Å; Y120-W122 HydrophobicContact CD1-CH2 4.49Å; Y120-W122 HydrophobicContact CD1-CZ2 4.45Å; Y120-W122 HydrophobicContact CD1-CZ3 4.11Å; Y120-W122 HydrophobicContact CE1-CB 4.48Å; Y120-W122 AromaticContact CE1-CD1 3.9Å; Y120-W122 AromaticContact CE1-CD2 3.69Å; Y120-W122 HydrophobicContact CE1-CD2 3.69Å; Y120-W122 AromaticContact CE1-CE2 3.86Å; Y120-W122 HydrophobicContact CE1-CE3 4.22Å; Y120-W122 AromaticContact CE1-CG 3.78Å; Y120-W122 HydrophobicContact CE1-CG 3.78Å; Y120-W122 AromaticContact CE1-NE1 3.93Å; W122-S124 PolarHBondContact O-N 3.46Å; W122-V125 HydrophobicContact CB-CB 4.29Å; W122-V125 PolarHBondContact O-N 3.09Å; W122-A126 PolarHBondContact N-O 2.94Å; W122-A126 PolarHBondContact O-N 3.31Å; W122-V128 HydrophobicContact CE3-CB 4.35Å; W122-V128 HydrophobicContact CE3-CG1 4.21Å; W122-V128 HydrophobicContact CZ3-CB 3.88Å; W122-V128 HydrophobicContact CZ3-CG1 3.57Å; W122-W147 HydrophobicContact CD2-CZ3 4.41Å; W122-W147 AromaticContact CE3-CH2 3.84Å; W122-W147 HydrophobicContact CE3-CH2 3.84Å; W122-W147 AromaticContact CE3-CZ3 3.43Å; W122-W147 HydrophobicContact CE3-CZ3 3.43Å; W122-W147 VanDerWaalsContact CE3-CZ3 3.43Å; W122-W147 AromaticContact CH2-CH2 3.71Å; W122-W147 HydrophobicContact CH2-CH2 3.71Å; W122-W147 HydrophobicContact CH2-CZ3 4.19Å; W122-W147 HydrophobicContact CZ3-CE3 4.47Å; W122-W147 AromaticContact CZ3-CH2 3.24Å; W122-W147 HydrophobicContact CZ3-CH2 3.24Å; W122-W147 HydrophobicContact CZ3-CZ2 4.43Å; W122-W147 AromaticContact CZ3-CZ3 3.29Å; W122-W147 HydrophobicContact CZ3-CZ3 3.29Å
123	D	73	Confident	83.5	Confident	134 Å²	134	60.3 Å²	60.3	72%	0.717	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	124.2	-175.2	-78.9	-41.5	0	0	0	111.9	T121 V125	T121-D123 PolarHBondContact O-N 3.47Å; D123-V125 PolarHBondContact O-N 2.91Å; D123-V125 VanDerWaalsContact O-N 3.14Å
124	S	71.9	Confident	83.6	Confident	98 Å²	98	54.8 Å²	54.8	69%	0.685	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	-3	-178.2	68.4	0	0	0	0	117.9	W122 V150	W122-S124 PolarHBondContact O-N 3.46Å; S124-V150 WeakPolarHBondContact O-CG2 3.5Å
125	V	78.4	Confident	83.3	Confident	19 Å²	19	55.1 Å²	55.1	12%	0.115	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-77.1	-179.3	-174.5	0	0	0	0	111.8	W122 D123 V150 V154	W122-V125 HydrophobicContact CB-CB 4.29Å; W122-V125 PolarHBondContact O-N 3.09Å; D123-V125 PolarHBondContact O-N 2.91Å; D123-V125 VanDerWaalsContact O-N 3.14Å; V125-V150 WeakPolarHBondContact O-CG2 3.33Å; V125-V150 PolarHBondContact O-N 3.32Å; V125-V154 HydrophobicContact CG1-CG1 3.83Å
126	A	85.1	Confident	82.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.4	-167.7	0	0	0	0	0	113.3	W122 W147 T148 L156	W122-A126 PolarHBondContact N-O 2.94Å; W122-A126 PolarHBondContact O-N 3.31Å; A126-W147 HydrophobicContact CB-CE3 3.89Å; A126-W147 HydrophobicContact CB-CZ3 4.33Å; A126-T148 CarbonylContact C-O 3.48Å; A126-T148 WeakPolarHBondContact CA-O 3.23Å; A126-L156 HydrophobicContact CB-CD2 3.63Å
127	E	88.4	Confident	81.2	Confident	107 Å²	107	60.5 Å²	60.5	50%	0.5	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.5	159.9	-69.9	174.3	-167	0	0	108.2	T121 W147 T148	T121-E127 HydrophobicContact CG2-CG 3.91Å; E127-W147 WeakPolarHBondContact O-CA 3.43Å; E127-T148 PolarHBondContact N-O 2.74Å; E127-T148 PolarHBondContact O-N 2.88Å
128	V	89.5	Confident	80.1	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	140.2	170	82.2	0	0	0	0	109.9	F118 C119 Y120 W122 I130 W147	F118-V128 HydrophobicContact CE1-CG1 4.48Å; C119-V128 WeakPolarHBondContact CA-O 3.27Å; Y120-V128 PolarHBondContact N-O 3.11Å; Y120-V128 VanDerWaalsContact N-O 3.08Å; Y120-V128 PolarHBondContact O-N 2.77Å; W122-V128 HydrophobicContact CE3-CB 4.35Å; W122-V128 HydrophobicContact CE3-CG1 4.21Å; W122-V128 HydrophobicContact CZ3-CB 3.88Å; W122-V128 HydrophobicContact CZ3-CG1 3.57Å; V128-I130 HydrophobicContact CG2-CD1 4.4Å; V128-I130 HydrophobicContact CG2-CG1 3.87Å; V128-W147 HydrophobicContact CB-CD2 4.23Å; V128-W147 HydrophobicContact CB-CE3 3.74Å; V128-W147 HydrophobicContact CB-CH2 4.31Å; V128-W147 HydrophobicContact CB-CZ3 3.82Å; V128-W147 HydrophobicContact CG2-CD2 3.7Å; V128-W147 HydrophobicContact CG2-CE3 3.75Å; V128-W147 HydrophobicContact CG2-CG 4.35Å; V128-W147 HydrophobicContact CG2-CH2 4.1Å; V128-W147 HydrophobicContact CG2-CZ2 4.07Å; V128-W147 HydrophobicContact CG2-CZ3 3.97Å
129	K	92.1	Very high	79.8	Confident	87 Å²	87	64 Å²	64	38%	0.378	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.6	154.5	-178.5	-178.8	-178.5	-170	0	108.4	E117 A146	E117-K129 WeakPolarHBondContact OE1-CE 3.22Å; E117-K129 IonicContact OE1-NZ 2.74Å; E117-K129 PolarHBondContact OE1-NZ 2.89Å; K129-A146 HydrophobicContact CB-CB 4.49Å; K129-A146 PolarHBondContact N-O 3.18Å; K129-A146 PolarHBondContact O-N 3.29Å
130	I	92.9	Very high	79.9	Confident	1 Å²	1	64 Å²	64	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.9	169.5	-47.8	-180	0	0	0	107.5	L62 L69 L78 E117 F118 V128 S144 M145	L62-I130 HydrophobicContact CD1-CB 4.2Å; L62-I130 HydrophobicContact CD1-CG2 3.75Å; L69-I130 HydrophobicContact CD2-CD1 3.8Å; L69-I130 HydrophobicContact CD2-CG2 3.9Å; L78-I130 HydrophobicContact CD1-CD1 4.37Å; E117-I130 WeakPolarHBondContact CA-O 3.17Å; F118-I130 HydrophobicContact CB-CB 4.4Å; F118-I130 HydrophobicContact CD1-CD1 4.14Å; F118-I130 HydrophobicContact CD1-CG1 4.41Å; F118-I130 PolarHBondContact N-O 3.3Å; F118-I130 PolarHBondContact O-N 3.01Å; V128-I130 HydrophobicContact CG2-CD1 4.4Å; V128-I130 HydrophobicContact CG2-CG1 3.87Å; I130-S144 VanDerWaalsContact CA-O 3.32Å; I130-S144 WeakPolarHBondContact CA-O 3.46Å; I130-M145 HydrophobicContact CB-SD 4.17Å; I130-M145 HydrophobicContact CD1-SD 3.76Å; I130-M145 HydrophobicContact CG1-SD 3.73Å; I130-M145 HydrophobicContact CG2-CE 4.18Å; I130-M145 HydrophobicContact CG2-SD 3.5Å; I130-M145 VanDerWaalsContact CG2-SD 3.5Å
131	S	93.4	Very high	80.3	Confident	23 Å²	23	62.7 Å²	62.7	16%	0.161	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.9	172.3	48.5	0	0	0	0	110.9	T116 Y143 S144	T116-S131 WeakPolarHBondContact O-CA 3.18Å; S131-Y143 CarbonylContact O-C 3.53Å; S131-Y143 WeakPolarHBondContact O-CA 3.4Å; S131-S144 PolarHBondContact N-O 2.87Å; S131-S144 PolarHBondContact O-N 3.47Å
132	L	91.4	Very high	80.8	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114	172.7	170.4	57.8	0	0	0	109.2	L62 T116 V134 E141 C142 Y143	L62-L132 HydrophobicContact CB-CB 4.37Å; L62-L132 HydrophobicContact CB-CD2 4.33Å; L62-L132 HydrophobicContact CD1-CB 3.93Å; T116-L132 WeakPolarHBondContact CB-O 3.39Å; T116-L132 PolarHBondContact O-N 2.59Å; L132-V134 HydrophobicContact CD1-CG2 4.15Å; L132-V134 HydrophobicContact CD2-CG2 4.08Å; L132-V134 HydrophobicContact CG-CG2 3.76Å; L132-E141 HydrophobicContact CD1-CB 4.27Å; L132-C142 CarbonylContact C-O 3.5Å; L132-C142 WeakPolarHBondContact CA-O 3.3Å; L132-Y143 HydrophobicContact CB-CD1 4.24Å; L132-Y143 HydrophobicContact CB-CE1 4.27Å; L132-Y143 HydrophobicContact CD1-CD1 4.08Å; L132-Y143 HydrophobicContact CD1-CD2 4.28Å; L132-Y143 HydrophobicContact CD1-CE1 3.82Å; L132-Y143 HydrophobicContact CD1-CE2 4.02Å; L132-Y143 HydrophobicContact CD1-CG 4.31Å; L132-Y143 HydrophobicContact CD2-CE1 4.1Å; L132-Y143 HydrophobicContact CG-CE1 4.27Å
133	E	85.8	Confident	81.6	Confident	122 Å²	122	59.6 Å²	59.6	57%	0.57	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.2	171.3	-71.1	171.9	-157.2	0	0	108.8	C142	E133-C142 HydrophobicContact CB-CB 4.43Å; E133-C142 PolarHBondContact N-O 3.19Å; E133-C142 PolarHBondContact O-N 3.42Å
134	V	71.1	Confident	82.6	Confident	63 Å²	63	53.9 Å²	53.9	38%	0.382	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.8	175.3	-172.3	0	0	0	0	107.2	T65 L132	T65-V134 HydrophobicContact CG2-CG1 3.88Å; L132-V134 HydrophobicContact CD1-CG2 4.15Å; L132-V134 HydrophobicContact CD2-CG2 4.08Å; L132-V134 HydrophobicContact CG-CG2 3.76Å
135	S	66.5	Low	83.7	Confident	69 Å²	69	49.2 Å²	49.2	48%	0.483	26%	0.26	S	S	.	.			trans	-92.4	132.8	165.5	176.3	0	0	0	0	108.5	D137 A138	S135-D137 PolarHBondContact O-N 2.96Å; S135-A138 PolarHBondContact O-N 2.83Å
136	E	58.2	Low	84.5	Confident	198 Å²	198	49.7 Å²	49.7	93%	0.925	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-19	-178.5	-62	-169.6	147.9	0	0	112.9
137	D	59.4	Low	84.8	Confident	162 Å²	162	50 Å²	50	87%	0.866	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-7.3	-179.3	-68.8	-53.5	0	0	0	114.2	S135	S135-D137 PolarHBondContact O-N 2.96Å
138	A	64.1	Low	84.9	Confident	35 Å²	35	48 Å²	48	29%	0.289	26%	0.262	S	S	.	.			trans	-90.8	146.1	-172.9	0	0	0	0	0	113.5	S135 T140	S135-A138 PolarHBondContact O-N 2.83Å; A138-T140 PolarHBondContact O-N 3.42Å
139	E	81.6	Confident	84.9	Confident	96 Å²	96	47.9 Å²	47.9	45%	0.449	26%	0.261	S	S	.	.	S	Bend	trans	-84.4	18.4	169.5	-55.8	-144.7	140.5	0	0	112.9	R257	E139-R257 IonicContact OE1-CZ 2.8Å; E139-R257 IonicContact OE1-NH1 2.72Å; E139-R257 PolarHBondContact OE1-NH1 2.82Å; E139-R257 IonicContact OE1-NH2 2.69Å; E139-R257 PolarHBondContact OE1-NH2 2.9Å; E139-R257 IonicContact OE2-CZ 2.92Å; E139-R257 IonicContact OE2-NE 3.21Å; E139-R257 IonicContact OE2-NH1 3.78Å; E139-R257 PolarHBondContact OE2-NH1 3.09Å; E139-R257 IonicContact OE2-NH2 2.68Å
140	T	89.3	Confident	84.7	Confident	12 Å²	12	46 Å²	46	7%	0.074	26%	0.257	C	S	.	.			trans	-138.1	152.2	-167.4	61.6	0	0	0	0	112.1	A138 V255 A256 E265	A138-T140 PolarHBondContact O-N 3.42Å; T140-V255 VanDerWaalsContact CA-O 3.23Å; T140-V255 WeakPolarHBondContact CA-O 3.25Å; T140-A256 HydrophobicContact CG2-CB 3.75Å; T140-E265 HydrophobicContact CG2-CB 3.69Å; T140-E265 HydrophobicContact CG2-CG 3.65Å; T140-E265 WeakPolarHBondContact CG2-OE2 3.23Å; T140-E265 PolarHBondContact OG1-OE2 3.4Å
141	E	92.4	Very high	84.3	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.6	178	-75	173.8	-177.1	0	0	109.5	T65 F66 S67 L132 Y143 C254 V255	T65-E141 VanDerWaalsContact CA-OE1 3.26Å; T65-E141 WeakPolarHBondContact CA-OE1 3.41Å; T65-E141 VanDerWaalsContact CB-OE1 3.3Å; T65-E141 WeakPolarHBondContact CB-OE1 3.45Å; T65-E141 PolarHBondContact N-OE1 3.29Å; T65-E141 PolarHBondContact OG1-OE1 2.82Å; F66-E141 HydrophobicContact CD1-CG 4.13Å; F66-E141 VanDerWaalsContact CD1-OE1 3.24Å; F66-E141 WeakPolarHBondContact CD1-OE1 3.28Å; F66-E141 HydrophobicContact CE1-CB 4.37Å; F66-E141 HydrophobicContact CE1-CG 3.63Å; F66-E141 HydrophobicContact CZ-CB 4.22Å; F66-E141 HydrophobicContact CZ-CG 3.98Å; F66-E141 PolarHBondContact N-OE1 3.27Å; S67-E141 WeakPolarHBondContact CA-OE2 3.22Å; S67-E141 VanDerWaalsContact CB-OE2 3.24Å; S67-E141 WeakPolarHBondContact CB-OE2 3.39Å; S67-E141 PolarHBondContact N-OE2 3.13Å; S67-E141 PolarHBondContact OG-OE2 3.12Å; L132-E141 HydrophobicContact CD1-CB 4.27Å; E141-Y143 HydrophobicContact CB-CE2 4.43Å; E141-C254 CarbonylContact O-C 3.35Å; E141-C254 WeakPolarHBondContact O-CA 3.24Å; E141-V255 HydrophobicContact CB-CG2 4.14Å; E141-V255 PolarHBondContact N-O 3Å; E141-V255 PolarHBondContact O-N 3.23Å
142	C	93.6	Very high	83.7	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.061	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.3	-171.5	-68.7	0	0	0	0	112.2	L132 E133 T252 C254 Q269	L132-C142 CarbonylContact C-O 3.5Å; L132-C142 WeakPolarHBondContact CA-O 3.3Å; E133-C142 HydrophobicContact CB-CB 4.43Å; E133-C142 PolarHBondContact N-O 3.19Å; E133-C142 PolarHBondContact O-N 3.42Å; C142-T252 HydrophobicContact CB-CG2 3.99Å; C142-C254 HydrophobicContact CB-CB 4.15Å; C142-C254 WeakPolarHBondContact CB-SG 3.12Å; C142-C254 WeakPolarHBondContact SG-CB 3.31Å; C142-C254 CovalentContact SG-SG 2.04Å; C142-C254 PolarHBondContact SG-SG 3.13Å; C142-Q269 PolarHBondContact SG-NE2 2.85Å; C142-Q269 VanDerWaalsContact SG-NE2 3.43Å
143	Y	94.9	Very high	83.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	100.6	178.6	-61.2	-98.6	0	0	0	108.8	L62 S67 G68 L69 I80 S131 L132 E141 V253 V255	L62-Y143 HydrophobicContact CB-CE1 4.19Å; S67-Y143 WeakPolarHBondContact OG-CE2 3.18Å; S67-Y143 PolarHBondContact OG-OH 3.37Å; G68-Y143 VanDerWaalsContact CA-OH 3.26Å; G68-Y143 WeakPolarHBondContact CA-OH 3.44Å; G68-Y143 PolarHBondContact N-OH 2.66Å; L69-Y143 HydrophobicContact CB-CD1 4.08Å; L69-Y143 HydrophobicContact CB-CE1 3.68Å; L69-Y143 HydrophobicContact CD2-CD1 4.22Å; I80-Y143 HydrophobicContact CD1-CD2 3.81Å; I80-Y143 HydrophobicContact CD1-CE2 4.27Å; I80-Y143 HydrophobicContact CD1-CG 4.14Å; I80-Y143 HydrophobicContact CG2-CE2 3.98Å; S131-Y143 CarbonylContact O-C 3.53Å; S131-Y143 WeakPolarHBondContact O-CA 3.4Å; L132-Y143 HydrophobicContact CB-CD1 4.24Å; L132-Y143 HydrophobicContact CB-CE1 4.27Å; L132-Y143 HydrophobicContact CD1-CD1 4.08Å; L132-Y143 HydrophobicContact CD1-CD2 4.28Å; L132-Y143 HydrophobicContact CD1-CE1 3.82Å; L132-Y143 HydrophobicContact CD1-CE2 4.02Å; L132-Y143 HydrophobicContact CD1-CG 4.31Å; L132-Y143 HydrophobicContact CD2-CE1 4.1Å; L132-Y143 HydrophobicContact CG-CE1 4.27Å; E141-Y143 HydrophobicContact CB-CE2 4.43Å; Y143-V253 PolarHBondContact N-O 3.39Å; Y143-V253 PolarHBondContact O-N 2.8Å; Y143-V255 HydrophobicContact CE2-CG2 4.36Å
144	S	95.1	Very high	83.1	Confident	15 Å²	15	52.3 Å²	52.3	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.9	173.2	-157.3	0	0	0	0	110	I130 S131 T252	I130-S144 VanDerWaalsContact CA-O 3.32Å; I130-S144 WeakPolarHBondContact CA-O 3.46Å; S131-S144 PolarHBondContact N-O 2.87Å; S131-S144 PolarHBondContact O-N 3.47Å; S144-T252 WeakPolarHBondContact CB-OG1 3.26Å; S144-T252 PolarHBondContact OG-OG1 2.04Å
145	M	94.5	Very high	83.8	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.8	-179.4	-53.4	-70.3	-176.2	0	0	108.5	L69 I130 Q250 Y251	L69-M145 HydrophobicContact CD1-CE 4.31Å; L69-M145 HydrophobicContact CD2-CE 4.18Å; I130-M145 HydrophobicContact CB-SD 4.17Å; I130-M145 HydrophobicContact CD1-SD 3.76Å; I130-M145 HydrophobicContact CG1-SD 3.73Å; I130-M145 HydrophobicContact CG2-CE 4.18Å; I130-M145 HydrophobicContact CG2-SD 3.5Å; I130-M145 VanDerWaalsContact CG2-SD 3.5Å; M145-Q250 VanDerWaalsContact O-CA 3.3Å; M145-Q250 WeakPolarHBondContact O-CA 3.07Å; M145-Q250 WeakPolarHBondContact O-CG 3.31Å; M145-Y251 WeakPolarHBondContact CA-O 3.4Å; M145-Y251 HydrophobicContact CB-CD1 4.33Å; M145-Y251 HydrophobicContact CB-CD2 4.16Å; M145-Y251 HydrophobicContact CB-CE1 3.92Å; M145-Y251 HydrophobicContact CB-CE2 3.76Å; M145-Y251 HydrophobicContact CB-CG 4.43Å; M145-Y251 WeakPolarHBondContact CB-O 3.38Å; M145-Y251 HydrophobicContact CG-CD2 4.09Å; M145-Y251 HydrophobicContact CG-CE1 4.48Å; M145-Y251 HydrophobicContact CG-CE2 3.46Å; M145-Y251 VanDerWaalsContact CG-CE2 3.46Å; M145-Y251 PolarHBondContact N-O 3.3Å; M145-Y251 PolarHBondContact O-N 2.69Å; M145-Y251 VanDerWaalsContact O-N 3.07Å
146	A	94.3	Very high	84.9	Confident	29 Å²	29	49.7 Å²	49.7	24%	0.24	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	108.7	177.8	0	0	0	0	0	110.6	K129 Q250	K129-A146 HydrophobicContact CB-CB 4.49Å; K129-A146 PolarHBondContact N-O 3.18Å; K129-A146 PolarHBondContact O-N 3.29Å; A146-Q250 HydrophobicContact CB-CG 4.24Å
147	W	91.9	Very high	86.6	Confident	6 Å²	6	42.8 Å²	42.8	2%	0.023	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.4	177.1	-63.2	101.3	0	0	0	111	L78 V94 W122 A126 E127 V128 L156 D158 P248 L249	L78-W147 HydrophobicContact CD1-CZ2 4.35Å; V94-W147 HydrophobicContact CG1-CH2 3.43Å; V94-W147 VanDerWaalsContact CG1-CH2 3.43Å; V94-W147 HydrophobicContact CG1-CZ2 3.55Å; V94-W147 HydrophobicContact CG1-CZ3 4.35Å; V94-W147 HydrophobicContact CG2-CZ2 4.18Å; W122-W147 HydrophobicContact CD2-CZ3 4.41Å; W122-W147 AromaticContact CE3-CH2 3.84Å; W122-W147 HydrophobicContact CE3-CH2 3.84Å; W122-W147 AromaticContact CE3-CZ3 3.43Å; W122-W147 HydrophobicContact CE3-CZ3 3.43Å; W122-W147 VanDerWaalsContact CE3-CZ3 3.43Å; W122-W147 AromaticContact CH2-CH2 3.71Å; W122-W147 HydrophobicContact CH2-CH2 3.71Å; W122-W147 HydrophobicContact CH2-CZ3 4.19Å; W122-W147 HydrophobicContact CZ3-CE3 4.47Å; W122-W147 AromaticContact CZ3-CH2 3.24Å; W122-W147 HydrophobicContact CZ3-CH2 3.24Å; W122-W147 HydrophobicContact CZ3-CZ2 4.43Å; W122-W147 AromaticContact CZ3-CZ3 3.29Å; W122-W147 HydrophobicContact CZ3-CZ3 3.29Å; A126-W147 HydrophobicContact CB-CE3 3.89Å; A126-W147 HydrophobicContact CB-CZ3 4.33Å; E127-W147 WeakPolarHBondContact O-CA 3.43Å; V128-W147 HydrophobicContact CB-CD2 4.23Å; V128-W147 HydrophobicContact CB-CE3 3.74Å; V128-W147 HydrophobicContact CB-CH2 4.31Å; V128-W147 HydrophobicContact CB-CZ3 3.82Å; V128-W147 HydrophobicContact CG2-CD2 3.7Å; V128-W147 HydrophobicContact CG2-CE3 3.75Å; V128-W147 HydrophobicContact CG2-CG 4.35Å; V128-W147 HydrophobicContact CG2-CH2 4.1Å; V128-W147 HydrophobicContact CG2-CZ2 4.07Å; V128-W147 HydrophobicContact CG2-CZ3 3.97Å; W147-L156 HydrophobicContact CB-CD1 3.67Å; W147-L156 HydrophobicContact CB-CD2 4.33Å; W147-D158 VanDerWaalsContact CD1-OD2 3.3Å; W147-D158 PolarHBondContact NE1-OD2 3.15Å; W147-P248 CarbonylContact O-C 3.54Å; W147-P248 WeakPolarHBondContact O-CA 3.42Å; W147-P248 WeakPolarHBondContact O-CB 3.39Å; W147-L249 HydrophobicContact CB-CB 4.24Å; W147-L249 WeakPolarHBondContact CB-O 3.32Å; W147-L249 PolarHBondContact N-O 2.95Å; W147-L249 PolarHBondContact O-N 2.86Å
148	T	91	Very high	88.3	Confident	67 Å²	67	35.2 Å²	35.2	41%	0.411	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.8	174.1	-58.2	0	0	0	0	109.7	A126 E127	A126-T148 CarbonylContact C-O 3.48Å; A126-T148 WeakPolarHBondContact CA-O 3.23Å; E127-T148 PolarHBondContact N-O 2.74Å; E127-T148 PolarHBondContact O-N 2.88Å
149	P	89.6	Confident	89.8	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.7	-178.6	30.3	-30.3	0	0	0	110.1	N151 V154 L156 R246 L247	P149-N151 PolarHBondContact O-N 3.33Å; P149-V154 HydrophobicContact CB-CB 3.99Å; P149-V154 HydrophobicContact CB-CG1 4.27Å; P149-L156 HydrophobicContact CB-CD1 4.22Å; P149-L156 HydrophobicContact CB-CD2 4.27Å; P149-L156 HydrophobicContact CB-CG 4.17Å; P149-L156 HydrophobicContact CG-CD1 4.19Å; P149-R246 HydrophobicContact CG-CB 3.99Å; P149-L247 WeakPolarHBondContact CG-O 3.39Å
150	V	86.7	Confident	90.6	Very high	48 Å²	48	29 Å²	29	29%	0.291	16%	0.159	S	C	.	.	S	Bend	trans	-65.4	-31.4	-174.4	-57.3	0	0	0	0	112.2	S124 V125 R246	S124-V150 WeakPolarHBondContact O-CG2 3.5Å; V125-V150 WeakPolarHBondContact O-CG2 3.33Å; V125-V150 PolarHBondContact O-N 3.32Å; V150-R246 PolarHBondContact O-NH1 2.99Å
151	N	84.6	Confident	91	Very high	59 Å²	59	29.5 Å²	29.5	32%	0.316	16%	0.163	S	C	.	.	S	Bend	trans	-144.6	162.5	176.1	83.9	88.3	0	0	0	111.7	P149 H153 V154	P149-N151 PolarHBondContact O-N 3.33Å; N151-H153 PolarHBondContact O-N 2.69Å; N151-H153 VanDerWaalsContact O-N 3.13Å; N151-H153 WeakPolarHBondContact OD1-CB 3.4Å; N151-H153 PolarHBondContact OD1-N 3.33Å; N151-H153 PolarHBondContact OD1-ND1 2.7Å; N151-V154 PolarHBondContact O-N 3.47Å
152	C	81.6	Confident	91.2	Very high	42 Å²	42	29.8 Å²	29.8	28%	0.284	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-3.3	-172.7	54	0	0	0	0	116.5	S243 R246	C152-S243 WeakPolarHBondContact CB-O 3.08Å; C152-R246 HydrophobicContact CB-CG 4.18Å
153	H	81.9	Confident	91.1	Very high	158 Å²	158	32.2 Å²	32.2	73%	0.731	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.1	173.5	-50.5	85.9	0	0	0	113	N151	N151-H153 PolarHBondContact O-N 2.69Å; N151-H153 VanDerWaalsContact O-N 3.13Å; N151-H153 WeakPolarHBondContact OD1-CB 3.4Å; N151-H153 PolarHBondContact OD1-N 3.33Å; N151-H153 PolarHBondContact OD1-ND1 2.7Å
154	V	83.2	Confident	91	Very high	26 Å²	26	40.1 Å²	40.1	16%	0.158	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-87.7	119.3	175.5	-179.9	0	0	0	0	109.1	V125 P149 N151 L156	V125-V154 HydrophobicContact CG1-CG1 3.83Å; P149-V154 HydrophobicContact CB-CB 3.99Å; P149-V154 HydrophobicContact CB-CG1 4.27Å; N151-V154 PolarHBondContact O-N 3.47Å; V154-L156 HydrophobicContact CG1-CD2 4.19Å
155	E	84.5	Confident	91.1	Very high	68 Å²	68	39.9 Å²	39.9	32%	0.318	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-92.3	119.6	166.9	-55.3	-174	128.9	0	0	109	N96 K239	N96-E155 PolarHBondContact ND2-O 3.04Å; E155-K239 VanDerWaalsContact OE1-CE 3.31Å; E155-K239 WeakPolarHBondContact OE1-CE 3.18Å; E155-K239 IonicContact OE1-NZ 3.92Å; E155-K239 PolarHBondContact OE1-NZ 2.59Å; E155-K239 WeakPolarHBondContact OE2-CE 3.48Å; E155-K239 IonicContact OE2-NZ 3.83Å; E155-K239 PolarHBondContact OE2-NZ 3.19Å
156	L	90.9	Very high	91.2	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-80.4	138.2	173.7	-57.4	172	0	0	0	109.2	A126 W147 P149 V154 K239 S240 L249	A126-L156 HydrophobicContact CB-CD2 3.63Å; W147-L156 HydrophobicContact CB-CD1 3.67Å; W147-L156 HydrophobicContact CB-CD2 4.33Å; P149-L156 HydrophobicContact CB-CD1 4.22Å; P149-L156 HydrophobicContact CB-CD2 4.27Å; P149-L156 HydrophobicContact CB-CG 4.17Å; P149-L156 HydrophobicContact CG-CD1 4.19Å; V154-L156 HydrophobicContact CG1-CD2 4.19Å; L156-K239 CarbonylContact O-C 3.54Å; L156-K239 VanDerWaalsContact O-CA 3.23Å; L156-K239 WeakPolarHBondContact O-CA 3.46Å; L156-K239 VanDerWaalsContact O-CG 3.28Å; L156-K239 WeakPolarHBondContact O-CG 3.25Å; L156-S240 PolarHBondContact N-OG 3.22Å; L156-S240 PolarHBondContact O-N 3.19Å; L156-S240 PolarHBondContact O-OG 3.11Å; L156-L249 HydrophobicContact CB-CB 3.96Å; L156-L249 HydrophobicContact CB-CD2 4.18Å; L156-L249 HydrophobicContact CD1-CB 3.86Å
157	K	93.1	Very high	91.4	Very high	54 Å²	54	39.4 Å²	39.4	24%	0.235	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	124.9	178.8	-172.6	-159.7	-178.3	-138	0	110.7	G95 C159 L238 K239	G95-K157 WeakPolarHBondContact CA-O 3.48Å; G95-K157 PolarHBondContact N-O 2.8Å; K157-C159 WeakPolarHBondContact CE-SG 3.29Å; K157-C159 PolarHBondContact NZ-SG 2.97Å; K157-L238 VanDerWaalsContact CA-O 3.29Å; K157-L238 WeakPolarHBondContact CA-O 3.49Å; K157-K239 HydrophobicContact CB-CB 4.5Å; K157-K239 HydrophobicContact CB-CG 4.27Å; K157-K239 HydrophobicContact CG-CB 4.33Å; K157-K239 HydrophobicContact CG-CG 4.46Å
158	D	95.4	Very high	91.7	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138	172.2	-69	-50.6	0	0	0	109.9	I92 W147 F160 C237 L238 L249 Y251	I92-D158 HydrophobicContact CG2-CB 3.92Å; W147-D158 VanDerWaalsContact CD1-OD2 3.3Å; W147-D158 PolarHBondContact NE1-OD2 3.15Å; D158-F160 HydrophobicContact CB-CE2 4.49Å; D158-C237 CarbonylContact O-C 3.49Å; D158-C237 VanDerWaalsContact O-CA 3.31Å; D158-C237 WeakPolarHBondContact O-CA 3.3Å; D158-L238 PolarHBondContact N-O 2.85Å; D158-L238 PolarHBondContact O-N 2.82Å; D158-L249 HydrophobicContact CB-CD2 4.3Å; D158-L249 VanDerWaalsContact OD2-CD2 3.3Å; D158-L249 WeakPolarHBondContact OD2-CD2 3.31Å; D158-Y251 HydrophobicContact CB-CE1 4.35Å; D158-Y251 VanDerWaalsContact OD2-CE1 3.31Å; D158-Y251 WeakPolarHBondContact OD2-CE1 3.35Å; D158-Y251 PolarHBondContact OD2-OH 2.95Å
159	C	96.6	Very high	91.9	Very high	1 Å²	1	36 Å²	36	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.5	-177.2	-65	0	0	0	0	112.3	I92 D93 K157 Q235 F236 C237	I92-C159 CarbonylContact C-O 3.58Å; I92-C159 VanDerWaalsContact CA-O 3.25Å; I92-C159 WeakPolarHBondContact CA-O 3.36Å; D93-C159 HydrophobicContact CB-CB 4.23Å; D93-C159 PolarHBondContact N-O 2.82Å; D93-C159 PolarHBondContact O-N 2.85Å; K157-C159 WeakPolarHBondContact CE-SG 3.29Å; K157-C159 PolarHBondContact NZ-SG 2.97Å; C159-Q235 HydrophobicContact CB-CB 4.26Å; C159-Q235 HydrophobicContact CB-CG 4.32Å; C159-Q235 VanDerWaalsContact CB-OE1 3.26Å; C159-F236 CarbonylContact C-O 3.56Å; C159-F236 WeakPolarHBondContact CA-O 3.44Å; C159-C237 HydrophobicContact CB-CB 4.13Å; C159-C237 WeakPolarHBondContact CB-SG 3.39Å; C159-C237 WeakPolarHBondContact SG-CB 3.13Å; C159-C237 CovalentContact SG-SG 2.04Å; C159-C237 PolarHBondContact SG-SG 3.33Å
160	F	97.6	Very high	92.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.8	-176.8	-59.5	-97.8	0	0	0	109.7	V90 I92 D158 W167 V218 Q235 F236 L238 Y251 V253	V90-F160 HydrophobicContact CG2-CD1 4.12Å; I92-F160 HydrophobicContact CD1-CD1 4.08Å; I92-F160 HydrophobicContact CD1-CE1 3.65Å; I92-F160 HydrophobicContact CD1-CZ 4.48Å; I92-F160 HydrophobicContact CG1-CD1 3.8Å; I92-F160 HydrophobicContact CG1-CE1 3.88Å; I92-F160 HydrophobicContact CG2-CD1 4.41Å; I92-F160 HydrophobicContact CG2-CE1 4.26Å; I92-F160 HydrophobicContact CG2-CZ 4.39Å; D158-F160 HydrophobicContact CB-CE2 4.49Å; F160-W167 HydrophobicContact CB-CZ2 4.18Å; F160-V218 HydrophobicContact CD1-CG2 3.75Å; F160-V218 HydrophobicContact CE1-CB 4.38Å; F160-V218 HydrophobicContact CE1-CG1 3.8Å; F160-V218 HydrophobicContact CE1-CG2 3.62Å; F160-V218 HydrophobicContact CE2-CG1 4.41Å; F160-V218 HydrophobicContact CZ-CG1 3.73Å; F160-V218 HydrophobicContact CZ-CG2 4.37Å; F160-Q235 WeakPolarHBondContact O-CA 3.45Å; F160-Q235 WeakPolarHBondContact O-CB 3.37Å; F160-F236 HydrophobicContact CB-CD1 3.9Å; F160-F236 HydrophobicContact CB-CE1 3.45Å; F160-F236 VanDerWaalsContact CB-CE1 3.45Å; F160-F236 HydrophobicContact CB-CE2 4.16Å; F160-F236 HydrophobicContact CB-CG 4.43Å; F160-F236 HydrophobicContact CB-CZ 3.6Å; F160-F236 HydrophobicContact CD1-CZ 4.31Å; F160-F236 HydrophobicContact CD2-CD2 4.03Å; F160-F236 HydrophobicContact CD2-CE1 4.35Å; F160-F236 AromaticContact CD2-CE2 3.48Å; F160-F236 HydrophobicContact CD2-CE2 3.48Å; F160-F236 VanDerWaalsContact CD2-CE2 3.48Å; F160-F236 AromaticContact CD2-CZ 3.67Å; F160-F236 HydrophobicContact CD2-CZ 3.67Å; F160-F236 HydrophobicContact CE2-CE2 4.11Å; F160-F236 HydrophobicContact CE2-CZ 4.47Å; F160-F236 HydrophobicContact CG-CE1 4.01Å; F160-F236 AromaticContact CG-CE2 3.93Å; F160-F236 HydrophobicContact CG-CE2 3.93Å; F160-F236 AromaticContact CG-CZ 3.59Å; F160-F236 HydrophobicContact CG-CZ 3.59Å; F160-F236 PolarHBondContact N-O 3.07Å; F160-F236 PolarHBondContact O-N 2.92Å; F160-F236 VanDerWaalsContact O-N 3.13Å; F160-L238 HydrophobicContact CE2-CD1 3.69Å; F160-L238 HydrophobicContact CE2-CG 3.88Å; F160-L238 HydrophobicContact CZ-CD1 4.16Å; F160-Y251 HydrophobicContact CE1-CD2 4.24Å; F160-Y251 AromaticContact CE1-CE2 3.84Å; F160-Y251 HydrophobicContact CE1-CE2 3.84Å; F160-Y251 AromaticContact CZ-CD2 3.76Å; F160-Y251 HydrophobicContact CZ-CD2 3.76Å; F160-Y251 HydrophobicContact CZ-CE1 4.43Å; F160-Y251 AromaticContact CZ-CE2 3.48Å; F160-Y251 HydrophobicContact CZ-CE2 3.48Å; F160-Y251 VanDerWaalsContact CZ-CE2 3.48Å; F160-Y251 HydrophobicContact CZ-CG 4.35Å; F160-Y251 AromaticContact CZ-CZ 3.87Å; F160-V253 HydrophobicContact CE1-CG2 4.17Å
161	S	96.7	Very high	92.4	Very high	23 Å²	23	34.1 Å²	34.1	16%	0.161	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	136.8	-175.7	-175.1	0	0	0	0	112.7	E91 A163 W167	E91-S161 WeakPolarHBondContact O-CB 3.02Å; E91-S161 PolarHBondContact O-N 2.73Å; S161-A163 WeakPolarHBondContact OG-CB 3.33Å; S161-A163 PolarHBondContact OG-N 2.89Å; S161-W167 PolarHBondContact O-NE1 3.03Å
162	M	96.6	Very high	92.8	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.034	18%	0.176	C	C	.	.			trans	-89.2	-0.7	170.3	-67.6	175.6	176.4	0	0	112.5	N164 V165 N181 L230 Q234 F236	M162-N164 PolarHBondContact O-N 3.15Å; M162-N164 VanDerWaalsContact O-N 3.11Å; M162-V165 PolarHBondContact O-N 2.82Å; M162-N181 HydrophobicContact SD-CB 4.14Å; M162-L230 HydrophobicContact CE-CD2 4.33Å; M162-Q234 WeakPolarHBondContact CB-O 3.47Å; M162-Q234 PolarHBondContact N-O 3.29Å; M162-F236 HydrophobicContact CE-CB 4.24Å
163	A	93.5	Very high	93.4	Very high	59 Å²	59	30.1 Å²	30.1	49%	0.488	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	113.3	-178	0	0	0	0	0	111.3	S161 V165	S161-A163 WeakPolarHBondContact OG-CB 3.33Å; S161-A163 PolarHBondContact OG-N 2.89Å; A163-V165 PolarHBondContact O-N 3.02Å
164	N	91.8	Very high	93.6	Very high	167 Å²	167	24.8 Å²	24.8	89%	0.893	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	13.7	-175.7	-47.8	-54.7	0	0	0	115.5	M162	M162-N164 PolarHBondContact O-N 3.15Å; M162-N164 VanDerWaalsContact O-N 3.11Å
165	V	96.4	Very high	94	Very high	10 Å²	10	24.5 Å²	24.5	6%	0.061	14%	0.144	C	C	.	.			trans	-124.2	118.8	178.5	-174.6	0	0	0	0	109.7	M162 A163 W167 N181	M162-V165 PolarHBondContact O-N 2.82Å; A163-V165 PolarHBondContact O-N 3.02Å; V165-W167 HydrophobicContact CG1-CD2 4.08Å; V165-W167 HydrophobicContact CG1-CG 4.24Å; V165-W167 HydrophobicContact CG1-CZ2 4.13Å; V165-N181 PolarHBondContact O-ND2 2.92Å
166	S	97.6	Very high	94.4	Very high	19 Å²	19	21.5 Å²	21.5	13%	0.133	13%	0.13	C	C	.	.			trans	-83.1	122.2	168.2	-62.8	0	0	0	0	108.5	Y168 G212 S213	S166-Y168 WeakPolarHBondContact CB-OH 3.36Å; S166-Y168 VanDerWaalsContact O-CE2 3.26Å; S166-Y168 WeakPolarHBondContact O-CE2 3.28Å; S166-G212 CarbonylContact O-C 3.54Å; S166-G212 WeakPolarHBondContact O-CA 3.37Å; S166-S213 PolarHBondContact N-OG 3.37Å; S166-S213 PolarHBondContact O-N 3.09Å
167	W	98.1	Very high	94.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	148.4	-174.9	-73	95.7	0	0	0	112.4	V90 F160 S161 V165 P179 I180 N181 F210 L211 V216 V218 F236	V90-W167 HydrophobicContact CG2-CH2 4.15Å; V90-W167 HydrophobicContact CG2-CZ2 3.89Å; F160-W167 HydrophobicContact CB-CZ2 4.18Å; S161-W167 PolarHBondContact O-NE1 3.03Å; V165-W167 HydrophobicContact CG1-CD2 4.08Å; V165-W167 HydrophobicContact CG1-CG 4.24Å; V165-W167 HydrophobicContact CG1-CZ2 4.13Å; W167-P179 CarbonylContact O-C 3.59Å; W167-P179 WeakPolarHBondContact O-CA 3.21Å; W167-P179 WeakPolarHBondContact O-CB 3.46Å; W167-I180 HydrophobicContact CB-CD1 4.14Å; W167-I180 HydrophobicContact CB-CG1 3.84Å; W167-I180 PolarHBondContact O-N 2.86Å; W167-N181 PolarHBondContact N-OD1 2.77Å; W167-F210 HydrophobicContact CE3-CB 4.11Å; W167-F210 HydrophobicContact CZ3-CB 4.14Å; W167-L211 CarbonylContact C-O 3.27Å; W167-L211 VanDerWaalsContact CA-O 3.29Å; W167-L211 WeakPolarHBondContact CA-O 3.34Å; W167-V216 HydrophobicContact CH2-CG1 3.63Å; W167-V216 HydrophobicContact CZ2-CG1 4.17Å; W167-V216 HydrophobicContact CZ3-CG1 4.08Å; W167-V218 HydrophobicContact CH2-CG2 3.89Å; W167-V218 HydrophobicContact CZ3-CG2 3.97Å; W167-F236 HydrophobicContact CD2-CD1 4.34Å; W167-F236 AromaticContact CD2-CE1 3.65Å; W167-F236 HydrophobicContact CD2-CE1 3.65Å; W167-F236 AromaticContact CE2-CE1 3.82Å; W167-F236 AromaticContact CE3-CE1 3.66Å; W167-F236 HydrophobicContact CE3-CE1 3.66Å; W167-F236 HydrophobicContact CE3-CZ 4.26Å; W167-F236 HydrophobicContact CG-CD1 4.49Å; W167-F236 HydrophobicContact CG-CE1 4.24Å; W167-F236 HydrophobicContact CH2-CE1 4.02Å; W167-F236 HydrophobicContact CH2-CZ 4.34Å; W167-F236 HydrophobicContact CZ2-CE1 4.01Å; W167-F236 AromaticContact CZ3-CE1 3.86Å; W167-F236 HydrophobicContact CZ3-CE1 3.86Å; W167-F236 HydrophobicContact CZ3-CZ 4.11Å
168	Y	97.8	Very high	94.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	171.4	-178.5	-37.4	-86	0	0	0	110.5	S166 W178 P179 F210 L211 V259 L524 W615 F625	S166-Y168 WeakPolarHBondContact CB-OH 3.36Å; S166-Y168 VanDerWaalsContact O-CE2 3.26Å; S166-Y168 WeakPolarHBondContact O-CE2 3.28Å; Y168-W178 AromaticContact CD1-CD2 3.74Å; Y168-W178 HydrophobicContact CD1-CD2 3.74Å; Y168-W178 AromaticContact CD1-CE2 3.46Å; Y168-W178 VanDerWaalsContact CD1-CE2 3.46Å; Y168-W178 AromaticContact CD1-CE3 3.96Å; Y168-W178 HydrophobicContact CD1-CE3 3.96Å; Y168-W178 HydrophobicContact CD1-CG 4.44Å; Y168-W178 AromaticContact CD1-CH2 3.75Å; Y168-W178 HydrophobicContact CD1-CH2 3.75Å; Y168-W178 AromaticContact CD1-CZ2 3.46Å; Y168-W178 HydrophobicContact CD1-CZ2 3.46Å; Y168-W178 VanDerWaalsContact CD1-CZ2 3.46Å; Y168-W178 AromaticContact CD1-CZ3 3.97Å; Y168-W178 HydrophobicContact CD1-CZ3 3.97Å; Y168-W178 HydrophobicContact CE1-CD2 4.13Å; Y168-W178 AromaticContact CE1-CE2 3.57Å; Y168-W178 AromaticContact CE1-CZ2 3.78Å; Y168-W178 HydrophobicContact CE1-CZ2 3.78Å; Y168-W178 AromaticContact CE1-NE1 3.65Å; Y168-W178 HydrophobicContact CG-CH2 4.05Å; Y168-W178 HydrophobicContact CG-CZ2 4.09Å; Y168-W178 HydrophobicContact CG-CZ3 4.38Å; Y168-P179 HydrophobicContact CD1-CB 4.09Å; Y168-P179 HydrophobicContact CE1-CB 3.83Å; Y168-F210 WeakPolarHBondContact O-CA 3.36Å; Y168-L211 HydrophobicContact CD2-CB 4.36Å; Y168-L211 HydrophobicContact CD2-CD2 4.23Å; Y168-L211 HydrophobicContact CD2-CG 4.17Å; Y168-L211 WeakPolarHBondContact CD2-O 3.2Å; Y168-L211 PolarHBondContact N-O 2.8Å; Y168-L211 PolarHBondContact O-N 3.19Å; Y168-V259 HydrophobicContact CE2-CG2 4.36Å; Y168-L524 HydrophobicContact CG-CD2 4.4Å; Y168-W615 HydrophobicContact CD2-CZ2 4.44Å; Y168-W615 AromaticContact CE1-NE1 3.79Å; Y168-W615 AromaticContact CE2-NE1 3.67Å; Y168-W615 AromaticContact CZ-CD1 3.93Å; Y168-W615 AromaticContact CZ-NE1 3.41Å; Y168-F625 VanDerWaalsContact OH-CA 3.28Å; Y168-F625 WeakPolarHBondContact OH-CA 3.26Å; Y168-F625 WeakPolarHBondContact OH-CB 3.36Å; Y168-F625 PolarHBondContact OH-O 3.16Å
169	G	95.6	Very high	94.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.3	-148.5	-178.9	0	0	0	0	0	112.3	H521	G169-H521 PolarHBondContact O-CE1 2.82Å; G169-H521 VanDerWaalsContact O-CE1 3.27Å; G169-H521 PolarHBondContact O-ND1 3.47Å
170	G	94	Very high	94.8	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.6	-126.6	-176.8	0	0	0	0	0	113.3	Y190 E207 Y209	G170-Y190 WeakPolarHBondContact CA-OH 3.44Å; G170-Y190 PolarHBondContact O-OH 2.81Å; G170-E207 CarbonylContact C-O 3.57Å; G170-E207 PolarHBondContact O-N 2.92Å; G170-E207 VanDerWaalsContact O-O 3.13Å; G170-Y209 PolarHBondContact N-O 3.35Å
171	A	93	Very high	94.8	Very high	11 Å²	11	22 Å²	22	9%	0.091	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.6	-179.9	0	0	0	0	0	111.5	Y190 Y202 L206	A171-Y190 HydrophobicContact CB-CE2 3.9Å; A171-Y190 PolarHBondContact N-OH 2.8Å; A171-Y190 VanDerWaalsContact N-OH 3.15Å; A171-Y202 HydrophobicContact CB-CD1 3.91Å; A171-Y202 HydrophobicContact CB-CG 4.18Å; A171-L206 HydrophobicContact CB-CB 3.95Å; A171-L206 HydrophobicContact CB-CD1 3.84Å; A171-L206 HydrophobicContact CB-CG 3.73Å
172	N	92.8	Very high	94.6	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	15%	0.146	C	C	.	.			trans	-67.3	152.5	174.9	-172.1	17.4	0	0	0	111.6	Q176 G203 S204 P205 H521 H522	N172-Q176 PolarHBondContact OD1-OE1 2.9Å; N172-G203 WeakPolarHBondContact O-CA 3.31Å; N172-G203 PolarHBondContact O-N 2.99Å; N172-S204 VanDerWaalsContact CB-O 3.3Å; N172-S204 WeakPolarHBondContact CB-O 3.28Å; N172-S204 PolarHBondContact ND2-O 3.34Å; N172-P205 PolarHBondContact N-O 3.39Å; N172-P205 VanDerWaalsContact N-O 3.1Å; N172-H521 PolarHBondContact N-NE2 3.12Å; N172-H522 PolarHBondContact ND2-CE1 2.7Å
173	V	93.9	Very high	94.5	Very high	13 Å²	13	25.1 Å²	25.1	8%	0.079	15%	0.15	C	C	.	.			trans	-142.2	159.3	177.5	-63.6	0	0	0	0	112.3	G175 Q176 I185 Y202	V173-G175 PolarHBondContact O-N 2.83Å; V173-Q176 PolarHBondContact O-N 2.87Å; V173-Q176 VanDerWaalsContact O-N 3.17Å; V173-I185 HydrophobicContact CG1-CD1 3.75Å; V173-Y202 HydrophobicContact CG1-CD1 4.35Å
174	Q	87.6	Confident	94.5	Very high	47 Å²	47	28 Å²	28	22%	0.22	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.6	-173.2	-176.9	172.1	80.8	0	0	114.3	L195 P199 T510	Q174-L195 HydrophobicContact CB-CD1 4.46Å; Q174-L195 PolarHBondContact NE2-O 3.03Å; Q174-L195 VanDerWaalsContact NE2-O 3.14Å; Q174-P199 VanDerWaalsContact OE1-CB 3.24Å; Q174-T510 WeakPolarHBondContact O-CB 3.43Å; Q174-T510 WeakPolarHBondContact O-CG2 3.26Å
175	G	90	Very high	94.7	Very high	20 Å²	20	21 Å²	21	21%	0.206	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	60	171.7	0	0	0	0	0	111.8	V173 T177 Q183 P509	V173-G175 PolarHBondContact O-N 2.83Å; G175-T177 PolarHBondContact O-N 3.28Å; G175-Q183 PolarHBondContact O-NE2 3.17Å; G175-P509 VanDerWaalsContact CA-O 3.27Å; G175-P509 WeakPolarHBondContact CA-O 3.32Å
176	Q	93.6	Very high	94.7	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.019	15%	0.146	C	C	.	.			trans	-55.6	129.2	-176.2	-172.7	60.3	51.1	0	0	111.9	N172 V173 P517 H521	N172-Q176 PolarHBondContact OD1-OE1 2.9Å; V173-Q176 PolarHBondContact O-N 2.87Å; V173-Q176 VanDerWaalsContact O-N 3.17Å; Q176-P517 HydrophobicContact CB-CB 4.18Å; Q176-P517 HydrophobicContact CG-CB 3.82Å; Q176-P517 WeakPolarHBondContact O-CB 3.27Å; Q176-H521 HydrophobicContact CG-CB 4.37Å
177	T	94.9	Very high	94.5	Very high	32 Å²	32	27.5 Å²	27.5	20%	0.196	16%	0.155	C	C	.	.			trans	-113.1	162	172.9	59.2	0	0	0	0	110.8	G175 P179 D182 Q183	G175-T177 PolarHBondContact O-N 3.28Å; T177-P179 CarbonylContact C-O 3.52Å; T177-P179 VanDerWaalsContact C-O 3.27Å; T177-P179 WeakPolarHBondContact CB-O 3.25Å; T177-P179 PolarHBondContact OG1-O 2.85Å; T177-D182 HydrophobicContact CG2-CB 4.27Å; T177-Q183 VanDerWaalsContact CG2-NE2 3.34Å; T177-Q183 PolarHBondContact OG1-NE2 3.37Å
178	W	96.3	Very high	94.2	Very high	10 Å²	10	29.3 Å²	29.3	4%	0.038	16%	0.163	C	C	.	.	S	Bend	trans	-137.2	107.2	174.9	-175.6	-89.4	0	0	0	109.7	Y168 P517 L520 L524 P613 W615 A627 D628	Y168-W178 AromaticContact CD1-CD2 3.74Å; Y168-W178 HydrophobicContact CD1-CD2 3.74Å; Y168-W178 AromaticContact CD1-CE2 3.46Å; Y168-W178 VanDerWaalsContact CD1-CE2 3.46Å; Y168-W178 AromaticContact CD1-CE3 3.96Å; Y168-W178 HydrophobicContact CD1-CE3 3.96Å; Y168-W178 HydrophobicContact CD1-CG 4.44Å; Y168-W178 AromaticContact CD1-CH2 3.75Å; Y168-W178 HydrophobicContact CD1-CH2 3.75Å; Y168-W178 AromaticContact CD1-CZ2 3.46Å; Y168-W178 HydrophobicContact CD1-CZ2 3.46Å; Y168-W178 VanDerWaalsContact CD1-CZ2 3.46Å; Y168-W178 AromaticContact CD1-CZ3 3.97Å; Y168-W178 HydrophobicContact CD1-CZ3 3.97Å; Y168-W178 HydrophobicContact CE1-CD2 4.13Å; Y168-W178 AromaticContact CE1-CE2 3.57Å; Y168-W178 AromaticContact CE1-CZ2 3.78Å; Y168-W178 HydrophobicContact CE1-CZ2 3.78Å; Y168-W178 AromaticContact CE1-NE1 3.65Å; Y168-W178 HydrophobicContact CG-CH2 4.05Å; Y168-W178 HydrophobicContact CG-CZ2 4.09Å; Y168-W178 HydrophobicContact CG-CZ3 4.38Å; W178-P517 HydrophobicContact CB-CB 4.06Å; W178-P517 HydrophobicContact CB-CG 4.35Å; W178-L520 HydrophobicContact CD2-CB 3.87Å; W178-L520 HydrophobicContact CD2-CD1 3.98Å; W178-L520 HydrophobicContact CE3-CB 3.61Å; W178-L520 HydrophobicContact CG-CD1 4.06Å; W178-L520 HydrophobicContact CH2-CB 3.93Å; W178-L520 HydrophobicContact CZ2-CB 4.19Å; W178-L520 VanDerWaalsContact CZ3-C 3.48Å; W178-L520 HydrophobicContact CZ3-CB 3.64Å; W178-L524 HydrophobicContact CH2-CB 4.25Å; W178-L524 HydrophobicContact CH2-CD2 3.86Å; W178-L524 HydrophobicContact CZ3-CB 4.49Å; W178-L524 HydrophobicContact CZ3-CD2 4.15Å; W178-P613 HydrophobicContact CH2-CB 4.47Å; W178-P613 HydrophobicContact CH2-CG 4.38Å; W178-P613 HydrophobicContact CZ2-CB 3.52Å; W178-P613 HydrophobicContact CZ2-CG 3.74Å; W178-W615 HydrophobicContact CH2-CZ2 4.49Å; W178-W615 HydrophobicContact CZ2-CZ2 4.23Å; W178-W615 AromaticContact CZ2-NE1 3.56Å; W178-A627 VanDerWaalsContact CD1-O 3.27Å; W178-D628 HydrophobicContact CB-CB 4.15Å
179	P	97.1	Very high	93.9	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.058	18%	0.179	C	C	.	.	S	Bend	cis	-68.8	176.2	0.5	30.4	-38.3	0	0	0	114.7	W167 Y168 T177 N181 T626	W167-P179 CarbonylContact O-C 3.59Å; W167-P179 WeakPolarHBondContact O-CA 3.21Å; W167-P179 WeakPolarHBondContact O-CB 3.46Å; Y168-P179 HydrophobicContact CD1-CB 4.09Å; Y168-P179 HydrophobicContact CE1-CB 3.83Å; T177-P179 CarbonylContact C-O 3.52Å; T177-P179 VanDerWaalsContact C-O 3.27Å; T177-P179 WeakPolarHBondContact CB-O 3.25Å; T177-P179 PolarHBondContact OG1-O 2.85Å; P179-N181 HydrophobicContact CG-CB 4.15Å; P179-N181 PolarHBondContact O-N 2.85Å; P179-T626 HydrophobicContact CG-CG2 4.34Å
180	I	96.5	Very high	93.8	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.041	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-73.7	-3.1	173.6	71.2	-177.9	0	0	0	113.4	W167 D182 Q183 F210 L230	W167-I180 HydrophobicContact CB-CD1 4.14Å; W167-I180 HydrophobicContact CB-CG1 3.84Å; W167-I180 PolarHBondContact O-N 2.86Å; I180-D182 PolarHBondContact O-N 2.8Å; I180-D182 VanDerWaalsContact O-N 3.12Å; I180-Q183 HydrophobicContact CB-CG 4.32Å; I180-Q183 VanDerWaalsContact O-CB 3.29Å; I180-Q183 WeakPolarHBondContact O-CB 3.35Å; I180-Q183 WeakPolarHBondContact O-CG 3.18Å; I180-Q183 PolarHBondContact O-N 2.98Å; I180-F210 HydrophobicContact CD1-CD1 4.05Å; I180-F210 HydrophobicContact CD1-CE1 4.27Å; I180-L230 HydrophobicContact CB-CD2 4.36Å; I180-L230 HydrophobicContact CD1-CD2 4.01Å; I180-L230 HydrophobicContact CG1-CD2 4.18Å
181	N	96.3	Very high	93.7	Very high	18 Å²	18	33 Å²	33	10%	0.096	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-58.2	-26.8	-176.9	-67.9	42.3	0	0	0	114.2	M162 V165 W167 P179 Q183 R233	M162-N181 HydrophobicContact SD-CB 4.14Å; V165-N181 PolarHBondContact O-ND2 2.92Å; W167-N181 PolarHBondContact N-OD1 2.77Å; P179-N181 HydrophobicContact CG-CB 4.15Å; P179-N181 PolarHBondContact O-N 2.85Å; N181-Q183 VanDerWaalsContact C-N 3.34Å; N181-R233 PolarHBondContact O-N 3.27Å
182	D	93.9	Very high	93.7	Very high	71 Å²	71	32.6 Å²	32.6	38%	0.38	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-85.3	-4.6	179.5	-83.7	-49.3	0	0	0	114	T177 I180 C232 R233	T177-D182 HydrophobicContact CG2-CB 4.27Å; I180-D182 PolarHBondContact O-N 2.8Å; I180-D182 VanDerWaalsContact O-N 3.12Å; D182-C232 PolarHBondContact O-SG 2.97Å; D182-R233 VanDerWaalsContact CG-NH2 3.26Å; D182-R233 IonicContact OD1-CZ 3.86Å; D182-R233 IonicContact OD1-NE 2.66Å; D182-R233 PolarHBondContact OD1-NE 2.77Å; D182-R233 IonicContact OD1-NH2 2.93Å; D182-R233 PolarHBondContact OD1-NH2 3.16Å; D182-R233 IonicContact OD2-CZ 2.85Å; D182-R233 IonicContact OD2-NE 2.65Å; D182-R233 IonicContact OD2-NH2 3.14Å; D182-R233 PolarHBondContact OD2-NH2 3.5Å
183	Q	93.7	Very high	93.7	Very high	25 Å²	25	33.4 Å²	33.4	12%	0.117	19%	0.189	C	C	.	.			trans	-70.6	152.1	175.8	-62.9	-60.9	-34.2	0	0	112.6	G175 T177 I180 N181 I185 L230 C232	G175-Q183 PolarHBondContact O-NE2 3.17Å; T177-Q183 VanDerWaalsContact CG2-NE2 3.34Å; T177-Q183 PolarHBondContact OG1-NE2 3.37Å; I180-Q183 HydrophobicContact CB-CG 4.32Å; I180-Q183 VanDerWaalsContact O-CB 3.29Å; I180-Q183 WeakPolarHBondContact O-CB 3.35Å; I180-Q183 WeakPolarHBondContact O-CG 3.18Å; I180-Q183 PolarHBondContact O-N 2.98Å; N181-Q183 VanDerWaalsContact C-N 3.34Å; Q183-I185 HydrophobicContact CB-CG1 4.49Å; Q183-L230 HydrophobicContact CB-CB 4.48Å; Q183-L230 HydrophobicContact CB-CD2 4.09Å; Q183-C232 WeakPolarHBondContact O-CA 3.27Å; Q183-C232 WeakPolarHBondContact O-CB 3.26Å; Q183-C232 PolarHBondContact O-N 2.97Å
184	N	94.7	Very high	93.4	Very high	120 Å²	120	35 Å²	35	64%	0.642	20%	0.196	S	C	*	.			trans	-138.2	106.6	172.9	-173.7	-1.2	0	0	0	109	L230 C232	N184-L230 WeakPolarHBondContact CA-O 3.37Å; N184-C232 HydrophobicContact CB-CB 4.19Å
185	I	95.1	Very high	93.5	Very high	18 Å²	18	33.2 Å²	33.2	9%	0.092	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120.2	-171.5	-53.1	-169.3	0	0	0	109.8	V173 Q183 Q188 Y202 G229 L230	V173-I185 HydrophobicContact CG1-CD1 3.75Å; Q183-I185 HydrophobicContact CB-CG1 4.49Å; I185-Q188 VanDerWaalsContact CG2-NE2 3.27Å; I185-Y202 HydrophobicContact CD1-CE1 3.94Å; I185-Y202 HydrophobicContact CG2-CE1 4.14Å; I185-G229 CarbonylContact O-C 3.55Å; I185-G229 VanDerWaalsContact O-CA 3.25Å; I185-G229 WeakPolarHBondContact O-CA 3.45Å; I185-L230 HydrophobicContact CB-CB 4.43Å; I185-L230 HydrophobicContact CB-CD1 3.87Å; I185-L230 HydrophobicContact CD1-CD1 3.93Å; I185-L230 HydrophobicContact CG1-CD1 4.04Å; I185-L230 PolarHBondContact N-O 2.81Å; I185-L230 PolarHBondContact O-N 3.21Å
186	T	95.4	Very high	93.3	Very high	103 Å²	103	37.8 Å²	37.8	63%	0.632	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	137.9	177.5	50	0	0	0	0	111.6	Q188	T186-Q188 WeakPolarHBondContact O-CG 3.46Å; T186-Q188 PolarHBondContact O-N 3.16Å
187	M	94.6	Very high	92.8	Very high	64 Å²	64	43.4 Å²	43.4	32%	0.315	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.5	108.5	178.7	-176.3	62.2	65.7	0	0	112.6	Q227 L228 C237 K239	M187-Q227 HydrophobicContact CG-CB 4.1Å; M187-Q227 HydrophobicContact SD-CB 3.51Å; M187-Q227 VanDerWaalsContact SD-CB 3.51Å; M187-L228 WeakPolarHBondContact CA-O 3.3Å; M187-L228 VanDerWaalsContact SD-C 3.53Å; M187-C237 HydrophobicContact CE-CB 3.65Å; M187-K239 HydrophobicContact CE-CB 4.02Å; M187-K239 HydrophobicContact CG-CD 4.1Å; M187-K239 HydrophobicContact SD-CB 3.73Å; M187-K239 HydrophobicContact SD-CD 4.28Å
188	Q	92.1	Very high	92.5	Very high	37 Å²	37	43.7 Å²	43.7	17%	0.173	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163.1	-175.2	69.6	-172.4	-21.5	0	0	111	I185 T186 Y190 S200 Y202 Q227 L228	I185-Q188 VanDerWaalsContact CG2-NE2 3.27Å; T186-Q188 WeakPolarHBondContact O-CG 3.46Å; T186-Q188 PolarHBondContact O-N 3.16Å; Q188-Y190 PolarHBondContact O-N 2.86Å; Q188-S200 PolarHBondContact NE2-O 2.8Å; Q188-Y202 HydrophobicContact CG-CD2 4.25Å; Q188-Y202 HydrophobicContact CG-CE2 3.57Å; Q188-Q227 CarbonylContact O-C 3.58Å; Q188-Q227 WeakPolarHBondContact O-CA 3.36Å; Q188-Q227 WeakPolarHBondContact O-CB 3.43Å; Q188-L228 PolarHBondContact N-O 3.13Å; Q188-L228 PolarHBondContact O-N 2.93Å
189	P	91.1	Very high	92.2	Very high	52 Å²	52	46.4 Å²	46.4	34%	0.338	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	134.6	176.5	-24.9	35.6	0	0	0	112.1	V191	P189-V191 HydrophobicContact CB-CG2 4.21Å; P189-V191 PolarHBondContact O-N 2.91Å; P189-V191 VanDerWaalsContact O-N 3.13Å
190	Y	93.1	Very high	91.9	Very high	3 Å²	3	50 Å²	50	1%	0.012	28%	0.283	C	S	.	.			trans	-88	79.5	-178.9	-167.2	-116.8	0	0	0	110.2	G170 A171 Q188 Y202 L206 E207 R208 V226 L228	G170-Y190 WeakPolarHBondContact CA-OH 3.44Å; G170-Y190 PolarHBondContact O-OH 2.81Å; A171-Y190 HydrophobicContact CB-CE2 3.9Å; A171-Y190 PolarHBondContact N-OH 2.8Å; A171-Y190 VanDerWaalsContact N-OH 3.15Å; Q188-Y190 PolarHBondContact O-N 2.86Å; Y190-Y202 HydrophobicContact CD2-CD1 4.35Å; Y190-Y202 AromaticContact CD2-CD2 3.8Å; Y190-Y202 HydrophobicContact CD2-CD2 3.8Å; Y190-Y202 HydrophobicContact CD2-CE1 4.29Å; Y190-Y202 AromaticContact CD2-CE2 3.73Å; Y190-Y202 HydrophobicContact CD2-CE2 3.73Å; Y190-Y202 HydrophobicContact CD2-CG 4.12Å; Y190-Y202 AromaticContact CD2-CZ 3.99Å; Y190-Y202 HydrophobicContact CE2-CD1 4.18Å; Y190-Y202 HydrophobicContact CE2-CD2 4.4Å; Y190-Y202 HydrophobicContact CE2-CE1 4.25Å; Y190-Y202 HydrophobicContact CE2-CE2 4.46Å; Y190-Y202 HydrophobicContact CE2-CG 4.26Å; Y190-L206 HydrophobicContact CD1-CD1 4.34Å; Y190-L206 HydrophobicContact CD1-CD2 4.08Å; Y190-L206 HydrophobicContact CD2-CD1 4.28Å; Y190-L206 HydrophobicContact CE1-CD1 4.18Å; Y190-L206 HydrophobicContact CE1-CD2 3.64Å; Y190-L206 HydrophobicContact CE1-CG 3.93Å; Y190-L206 HydrophobicContact CE2-CD1 4.12Å; Y190-L206 HydrophobicContact CE2-CG 4.39Å; Y190-L206 HydrophobicContact CG-CD1 4.39Å; Y190-E207 PolarHBondContact OH-O 2.9Å; Y190-R208 HydrophobicContact CD1-CG 4.24Å; Y190-R208 HydrophobicContact CE1-CG 3.88Å; Y190-V226 WeakPolarHBondContact CB-O 3.36Å; Y190-V226 HydrophobicContact CD1-CG2 4.41Å; Y190-V226 PolarHBondContact N-O 2.89Å; Y190-L228 HydrophobicContact CD2-CB 3.62Å; Y190-L228 HydrophobicContact CD2-CD1 3.79Å; Y190-L228 HydrophobicContact CD2-CG 4.18Å; Y190-L228 HydrophobicContact CE2-CB 4.37Å; Y190-L228 HydrophobicContact CE2-CD1 3.77Å; Y190-L228 HydrophobicContact CE2-CG 4.46Å; Y190-L228 HydrophobicContact CG-CB 3.99Å; Y190-L228 HydrophobicContact CG-CD1 4.19Å
191	V	92	Very high	91.7	Very high	26 Å²	26	49.9 Å²	49.9	16%	0.158	28%	0.284	C	S	.	.	S	Bend	trans	-141.9	152.6	-176.3	-60	0	0	0	0	111.3	P189 S193 D466	P189-V191 HydrophobicContact CB-CG2 4.21Å; P189-V191 PolarHBondContact O-N 2.91Å; P189-V191 VanDerWaalsContact O-N 3.13Å; V191-S193 PolarHBondContact O-N 3.3Å; V191-D466 WeakPolarHBondContact CA-OD1 3.29Å; V191-D466 WeakPolarHBondContact CA-OD2 3.44Å
192	V	93.8	Very high	91.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-72.9	121.3	-179.7	179	0	0	0	0	111	L206 E448 G449 D466 I469	V192-L206 HydrophobicContact CG2-CB 3.45Å; V192-L206 VanDerWaalsContact CG2-CB 3.45Å; V192-L206 HydrophobicContact CG2-CD1 4.07Å; V192-L206 HydrophobicContact CG2-CG 4.31Å; V192-E448 HydrophobicContact CG1-CB 4.33Å; V192-E448 HydrophobicContact CG1-CG 4Å; V192-G449 PolarHBondContact O-N 2.66Å; V192-D466 PolarHBondContact N-OD1 2.9Å; V192-I469 HydrophobicContact CB-CD1 3.57Å; V192-I469 HydrophobicContact CG1-CD1 3.95Å; V192-I469 HydrophobicContact CG2-CD1 3.88Å
193	S	91.6	Very high	91.6	Very high	21 Å²	21	46 Å²	46	15%	0.147	26%	0.263	C	S	.	.			trans	-113.7	157.3	175.8	73.2	0	0	0	0	111.7	V191 L195 Y202	V191-S193 PolarHBondContact O-N 3.3Å; S193-L195 PolarHBondContact O-N 3.06Å; S193-L195 VanDerWaalsContact O-N 3.13Å; S193-Y202 WeakPolarHBondContact CA-O 3.19Å; S193-Y202 WeakPolarHBondContact CB-O 3.48Å; S193-Y202 PolarHBondContact N-O 3.14Å; S193-Y202 PolarHBondContact OG-O 2.86Å
194	N	88.3	Confident	91.6	Very high	45 Å²	45	45.3 Å²	45.3	24%	0.241	26%	0.261	C	S	.	.			trans	-75.1	100	170.3	179.7	11	0	0	0	109.9	K196 D197 A198 E448	N194-K196 PolarHBondContact O-N 2.67Å; N194-K196 WeakPolarHBondContact OD1-CB 3.26Å; N194-K196 PolarHBondContact OD1-N 2.95Å; N194-K196 VanDerWaalsContact OD1-N 3.15Å; N194-D197 VanDerWaalsContact ND2-CG 3.31Å; N194-D197 PolarHBondContact ND2-OD2 3.39Å; N194-D197 PolarHBondContact O-N 3.35Å; N194-A198 PolarHBondContact O-N 2.9Å; N194-E448 HydrophobicContact CB-CB 4.37Å
195	L	89.1	Confident	91.6	Very high	10 Å²	10	39.6 Å²	39.6	5%	0.052	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.3	179	-67.8	179.7	0	0	0	115	Q174 S193 P199 G201 A501	Q174-L195 HydrophobicContact CB-CD1 4.46Å; Q174-L195 PolarHBondContact NE2-O 3.03Å; Q174-L195 VanDerWaalsContact NE2-O 3.14Å; S193-L195 PolarHBondContact O-N 3.06Å; S193-L195 VanDerWaalsContact O-N 3.13Å; L195-P199 WeakPolarHBondContact O-CA 3.48Å; L195-G201 VanDerWaalsContact CD2-O 3.3Å; L195-G201 WeakPolarHBondContact CD2-O 3.45Å; L195-A501 HydrophobicContact CD1-CB 4.02Å
196	K	85.3	Confident	91.5	Very high	117 Å²	117	38.7 Å²	38.7	51%	0.509	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.1	171.6	-178.5	164.7	-178.2	150.6	0	112.9	N194 L539	N194-K196 PolarHBondContact O-N 2.67Å; N194-K196 WeakPolarHBondContact OD1-CB 3.26Å; N194-K196 PolarHBondContact OD1-N 2.95Å; N194-K196 VanDerWaalsContact OD1-N 3.15Å; K196-L539 HydrophobicContact CB-CD1 4.19Å; K196-L539 HydrophobicContact CD-CD1 4.19Å; K196-L539 HydrophobicContact CG-CD1 3.98Å; K196-L539 PolarHBondContact NZ-O 3.19Å
197	D	84.8	Confident	91.4	Very high	122 Å²	122	34.7 Å²	34.7	65%	0.652	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-30.7	-177.1	-57.7	-30.2	0	0	0	111.4	N194	N194-D197 VanDerWaalsContact ND2-CG 3.31Å; N194-D197 PolarHBondContact ND2-OD2 3.39Å; N194-D197 PolarHBondContact O-N 3.35Å
198	A	87.5	Confident	91.4	Very high	38 Å²	38	33 Å²	33	31%	0.314	19%	0.19	S	C	.	.			trans	-124.3	72.3	178.8	0	0	0	0	0	111.2	N194 S200 G201	N194-A198 PolarHBondContact O-N 2.9Å; A198-S200 PolarHBondContact O-N 3.33Å; A198-S200 VanDerWaalsContact O-N 3.12Å; A198-G201 PolarHBondContact O-N 2.98Å
199	P	89.6	Confident	91.5	Very high	66 Å²	66	31.4 Å²	31.4	43%	0.429	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.1	-171.5	25.5	-35.9	0	0	0	115.3	Q174 L195	Q174-P199 VanDerWaalsContact OE1-CB 3.24Å; L195-P199 WeakPolarHBondContact O-CA 3.48Å
200	S	90.9	Very high	91.8	Very high	85 Å²	85	29.1 Å²	29.1	59%	0.594	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.1	175	61.2	0	0	0	0	114.1	Q188 A198	Q188-S200 PolarHBondContact NE2-O 2.8Å; A198-S200 PolarHBondContact O-N 3.33Å; A198-S200 VanDerWaalsContact O-N 3.12Å
201	G	92.4	Very high	92.1	Very high	6 Å²	6	29 Å²	29	6%	0.062	17%	0.166	C	C	.	.	S	Bend	trans	-81.2	-177.3	178.4	0	0	0	0	0	113	L195 A198	L195-G201 VanDerWaalsContact CD2-O 3.3Å; L195-G201 WeakPolarHBondContact CD2-O 3.45Å; A198-G201 PolarHBondContact O-N 2.98Å
202	Y	95.1	Very high	92.4	Very high	6 Å²	6	27.7 Å²	27.7	2%	0.024	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-87.3	143.7	168.3	-59.8	-67.7	0	0	0	110.1	A171 V173 I185 Q188 Y190 S193 L228 L230	A171-Y202 HydrophobicContact CB-CD1 3.91Å; A171-Y202 HydrophobicContact CB-CG 4.18Å; V173-Y202 HydrophobicContact CG1-CD1 4.35Å; I185-Y202 HydrophobicContact CD1-CE1 3.94Å; I185-Y202 HydrophobicContact CG2-CE1 4.14Å; Q188-Y202 HydrophobicContact CG-CD2 4.25Å; Q188-Y202 HydrophobicContact CG-CE2 3.57Å; Y190-Y202 HydrophobicContact CD2-CD1 4.35Å; Y190-Y202 AromaticContact CD2-CD2 3.8Å; Y190-Y202 HydrophobicContact CD2-CD2 3.8Å; Y190-Y202 HydrophobicContact CD2-CE1 4.29Å; Y190-Y202 AromaticContact CD2-CE2 3.73Å; Y190-Y202 HydrophobicContact CD2-CE2 3.73Å; Y190-Y202 HydrophobicContact CD2-CG 4.12Å; Y190-Y202 AromaticContact CD2-CZ 3.99Å; Y190-Y202 HydrophobicContact CE2-CD1 4.18Å; Y190-Y202 HydrophobicContact CE2-CD2 4.4Å; Y190-Y202 HydrophobicContact CE2-CE1 4.25Å; Y190-Y202 HydrophobicContact CE2-CE2 4.46Å; Y190-Y202 HydrophobicContact CE2-CG 4.26Å; S193-Y202 WeakPolarHBondContact CA-O 3.19Å; S193-Y202 WeakPolarHBondContact CB-O 3.48Å; S193-Y202 PolarHBondContact N-O 3.14Å; S193-Y202 PolarHBondContact OG-O 2.86Å; Y202-L228 HydrophobicContact CE1-CD2 4.34Å; Y202-L228 HydrophobicContact CE2-CB 4.43Å; Y202-L228 VanDerWaalsContact OH-C 3.32Å; Y202-L228 VanDerWaalsContact OH-CD2 3.31Å; Y202-L228 WeakPolarHBondContact OH-CD2 3.32Å; Y202-L228 PolarHBondContact OH-O 3.01Å; Y202-L230 HydrophobicContact CE1-CD1 4.31Å
203	G	93.9	Very high	92.5	Very high	1 Å²	1	28 Å²	28	1%	0.01	16%	0.16	C	C	.	.			trans	-106.2	-165.9	-179.4	0	0	0	0	0	113.5	N172 P205	N172-G203 WeakPolarHBondContact O-CA 3.31Å; N172-G203 PolarHBondContact O-N 2.99Å; G203-P205 CarbonylContact O-C 3.48Å
204	S	93.1	Very high	92.7	Very high	10 Å²	10	27.4 Å²	27.4	7%	0.07	16%	0.156	C	C	.	.	S	Bend	trans	-105	140.6	177.7	174.8	0	0	0	0	110.8	N172 T486 A487 G488	N172-S204 VanDerWaalsContact CB-O 3.3Å; N172-S204 WeakPolarHBondContact CB-O 3.28Å; N172-S204 PolarHBondContact ND2-O 3.34Å; S204-T486 WeakPolarHBondContact CB-O 2.94Å; S204-T486 PolarHBondContact OG-O 3.27Å; S204-A487 WeakPolarHBondContact OG-CA 3.13Å; S204-G488 PolarHBondContact OG-N 2.85Å
205	P	94.1	Very high	93.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	S	Bend	cis	-71.3	163.1	-7.9	31.6	-36.2	0	0	0	112.3	N172 G203 G488 H522 V525 Y527	N172-P205 PolarHBondContact N-O 3.39Å; N172-P205 VanDerWaalsContact N-O 3.1Å; G203-P205 CarbonylContact O-C 3.48Å; P205-G488 VanDerWaalsContact CA-O 3.31Å; P205-G488 WeakPolarHBondContact CA-O 3.07Å; P205-H522 VanDerWaalsContact CD-CD2 3.48Å; P205-H522 WeakPolarHBondContact CD-CD2 3.32Å; P205-H522 WeakPolarHBondContact CD-NE2 3.4Å; P205-V525 HydrophobicContact CB-CG2 4.34Å; P205-V525 HydrophobicContact CG-CG2 3.77Å; P205-Y527 HydrophobicContact CB-CD2 3.45Å; P205-Y527 VanDerWaalsContact CB-CD2 3.45Å; P205-Y527 HydrophobicContact CB-CE2 3.6Å; P205-Y527 HydrophobicContact CB-CG 4.18Å; P205-Y527 HydrophobicContact CG-CD2 3.89Å; P205-Y527 HydrophobicContact CG-CG 4.43Å
206	L	94.1	Very high	93.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	121.5	169.8	179.8	153.9	0	0	0	109.3	A171 Y190 V192 G488 T489	A171-L206 HydrophobicContact CB-CB 3.95Å; A171-L206 HydrophobicContact CB-CD1 3.84Å; A171-L206 HydrophobicContact CB-CG 3.73Å; Y190-L206 HydrophobicContact CD1-CD1 4.34Å; Y190-L206 HydrophobicContact CD1-CD2 4.08Å; Y190-L206 HydrophobicContact CD2-CD1 4.28Å; Y190-L206 HydrophobicContact CE1-CD1 4.18Å; Y190-L206 HydrophobicContact CE1-CD2 3.64Å; Y190-L206 HydrophobicContact CE1-CG 3.93Å; Y190-L206 HydrophobicContact CE2-CD1 4.12Å; Y190-L206 HydrophobicContact CE2-CG 4.39Å; Y190-L206 HydrophobicContact CG-CD1 4.39Å; V192-L206 HydrophobicContact CG2-CB 3.45Å; V192-L206 VanDerWaalsContact CG2-CB 3.45Å; V192-L206 HydrophobicContact CG2-CD1 4.07Å; V192-L206 HydrophobicContact CG2-CG 4.31Å; L206-G488 PolarHBondContact N-O 2.98Å; L206-T489 VanDerWaalsContact O-CB 3.29Å; L206-T489 WeakPolarHBondContact O-CB 3.3Å; L206-T489 PolarHBondContact O-OG1 3.25Å
207	E	93.9	Very high	94	Very high	19 Å²	19	19.2 Å²	19.2	9%	0.089	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	158.7	168.8	-73	-54.9	153.3	0	0	111.8	G170 Y190 Y209 R490 V525	G170-E207 CarbonylContact C-O 3.57Å; G170-E207 PolarHBondContact O-N 2.92Å; G170-E207 VanDerWaalsContact O-O 3.13Å; Y190-E207 PolarHBondContact OH-O 2.9Å; E207-Y209 PolarHBondContact O-N 3.47Å; E207-R490 WeakPolarHBondContact OE1-CA 3.21Å; E207-R490 PolarHBondContact OE1-N 3.41Å; E207-V525 HydrophobicContact CB-CB 4.06Å; E207-V525 HydrophobicContact CB-CG1 4.24Å; E207-V525 HydrophobicContact CG-CB 3.81Å; E207-V525 HydrophobicContact CG-CG2 4.32Å
208	R	93.6	Very high	94.6	Very high	28 Å²	28	13.4 Å²	13.4	11%	0.106	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	34.9	179.9	-74.8	171	175.9	-126.5	-3	112.2	Y190 L219 V220 S221 P222 I224	Y190-R208 HydrophobicContact CD1-CG 4.24Å; Y190-R208 HydrophobicContact CE1-CG 3.88Å; R208-L219 WeakPolarHBondContact O-CA 3.3Å; R208-V220 HydrophobicContact CB-CB 4.13Å; R208-V220 WeakPolarHBondContact CB-O 3.31Å; R208-V220 PolarHBondContact O-N 2.7Å; R208-S221 PolarHBondContact NH1-O 3.5Å; R208-P222 PolarHBondContact NH1-O 2.93Å; R208-I224 PolarHBondContact NH1-O 2.85Å
209	Y	95.2	Very high	95	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.016	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.3	-170.5	164.6	-119.6	0	0	0	110.4	G170 E207 L211 T217 V218 L219 H263 A266 L270 L524 V525	G170-Y209 PolarHBondContact N-O 3.35Å; E207-Y209 PolarHBondContact O-N 3.47Å; Y209-L211 HydrophobicContact CE2-CB 4.46Å; Y209-T217 HydrophobicContact CE2-CG2 3.64Å; Y209-V218 WeakPolarHBondContact CA-O 3.09Å; Y209-L219 HydrophobicContact CD2-CD2 3.64Å; Y209-L219 HydrophobicContact CG-CD2 4.23Å; Y209-H263 AromaticContact CE1-ND1 3.95Å; Y209-H263 AromaticContact CZ-ND1 3.75Å; Y209-H263 PolarHBondContact OH-ND1 3.45Å; Y209-A266 HydrophobicContact CD2-CB 4.18Å; Y209-A266 HydrophobicContact CE2-CB 3.52Å; Y209-L270 HydrophobicContact CG-CD1 4.29Å; Y209-L524 HydrophobicContact CE1-CG 4.27Å; Y209-V525 HydrophobicContact CD1-CG1 4.41Å
210	F	97.6	Very high	95.2	Very high	3 Å²	3	10 Å²	10	1%	0.013	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.2	173.9	-58.1	-91	0	0	0	110.3	W167 Y168 I180 T217 V218 V220 L228 F236	W167-F210 HydrophobicContact CE3-CB 4.11Å; W167-F210 HydrophobicContact CZ3-CB 4.14Å; Y168-F210 WeakPolarHBondContact O-CA 3.36Å; I180-F210 HydrophobicContact CD1-CD1 4.05Å; I180-F210 HydrophobicContact CD1-CE1 4.27Å; F210-T217 CarbonylContact O-C 3.59Å; F210-T217 VanDerWaalsContact O-CA 3.23Å; F210-T217 WeakPolarHBondContact O-CA 3.45Å; F210-V218 HydrophobicContact CB-CB 4.28Å; F210-V218 PolarHBondContact N-O 2.94Å; F210-V218 PolarHBondContact O-N 3.02Å; F210-V220 HydrophobicContact CE2-CG2 4.3Å; F210-L228 HydrophobicContact CE1-CD1 4.3Å; F210-L228 HydrophobicContact CE2-CD1 4.01Å; F210-L228 HydrophobicContact CZ-CD1 3.43Å; F210-L228 VanDerWaalsContact CZ-CD1 3.43Å; F210-F236 HydrophobicContact CB-CE1 4.48Å; F210-F236 HydrophobicContact CB-CZ 3.93Å; F210-F236 HydrophobicContact CD1-CE2 4.18Å; F210-F236 HydrophobicContact CD1-CZ 4.18Å; F210-F236 AromaticContact CD2-CE2 3.99Å; F210-F236 HydrophobicContact CD2-CE2 3.99Å; F210-F236 HydrophobicContact CD2-CZ 4.22Å; F210-F236 HydrophobicContact CE1-CE2 4.47Å; F210-F236 HydrophobicContact CE2-CE2 4.3Å; F210-F236 AromaticContact CG-CE2 3.95Å; F210-F236 HydrophobicContact CG-CE2 3.95Å; F210-F236 AromaticContact CG-CZ 3.83Å; F210-F236 HydrophobicContact CG-CZ 3.83Å
211	L	98.1	Very high	95.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.6	-179.3	175.3	67.3	0	0	0	109.6	W167 Y168 Y209 T217 V259 A262 H263 L524 W615	W167-L211 CarbonylContact C-O 3.27Å; W167-L211 VanDerWaalsContact CA-O 3.29Å; W167-L211 WeakPolarHBondContact CA-O 3.34Å; Y168-L211 HydrophobicContact CD2-CB 4.36Å; Y168-L211 HydrophobicContact CD2-CD2 4.23Å; Y168-L211 HydrophobicContact CD2-CG 4.17Å; Y168-L211 WeakPolarHBondContact CD2-O 3.2Å; Y168-L211 PolarHBondContact N-O 2.8Å; Y168-L211 PolarHBondContact O-N 3.19Å; Y209-L211 HydrophobicContact CE2-CB 4.46Å; L211-T217 HydrophobicContact CB-CG2 4.43Å; L211-T217 HydrophobicContact CD1-CG2 3.44Å; L211-T217 VanDerWaalsContact CD1-CG2 3.44Å; L211-V259 HydrophobicContact CD1-CG2 3.96Å; L211-V259 HydrophobicContact CD2-CG2 3.74Å; L211-V259 HydrophobicContact CG-CG2 3.82Å; L211-A262 HydrophobicContact CD1-CB 4.11Å; L211-H263 HydrophobicContact CD1-CB 4.2Å; L211-H263 HydrophobicContact CD2-CB 3.98Å; L211-L524 HydrophobicContact CD2-CD1 3.77Å; L211-L524 HydrophobicContact CD2-CD2 4.24Å; L211-W615 HydrophobicContact CD2-CH2 3.52Å; L211-W615 HydrophobicContact CD2-CZ2 3.63Å
212	G	97.8	Very high	94.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.9	175.9	0	0	0	0	0	112.2	S166 S214 G215 V216	S166-G212 CarbonylContact O-C 3.54Å; S166-G212 WeakPolarHBondContact O-CA 3.37Å; G212-S214 PolarHBondContact O-N 2.96Å; G212-G215 PolarHBondContact O-N 3.02Å; G212-V216 PolarHBondContact N-O 2.83Å; G212-V216 PolarHBondContact O-N 3.47Å
213	S	97.4	Very high	94.3	Very high	6 Å²	6	13.2 Å²	13.2	4%	0.042	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.4	-178.2	67.7	0	0	0	0	114.8	S166 G215	S166-S213 PolarHBondContact N-OG 3.37Å; S166-S213 PolarHBondContact O-N 3.09Å; S213-G215 PolarHBondContact O-N 3.28Å
214	S	95.9	Very high	93.9	Very high	9 Å²	9	14.2 Å²	14.2	6%	0.063	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.9	171.2	53.1	0	0	0	0	113.7	R87 Y89 G212 V216	R87-S214 PolarHBondContact NH2-O 3.33Å; Y89-S214 WeakPolarHBondContact O-CB 3.45Å; Y89-S214 PolarHBondContact O-OG 3.35Å; G212-S214 PolarHBondContact O-N 2.96Å; S214-V216 VanDerWaalsContact OG-CG1 3.31Å; S214-V216 WeakPolarHBondContact OG-CG1 3.28Å
215	G	95.8	Very high	93.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	34.7	-170.6	0	0	0	0	0	113.1	G212 S213 V255 A256	G212-G215 PolarHBondContact O-N 3.02Å; S213-G215 PolarHBondContact O-N 3.28Å; G215-V255 CarbonylContact O-C 3.45Å; G215-V255 WeakPolarHBondContact O-CA 3.37Å; G215-A256 PolarHBondContact O-N 2.81Å
216	V	96.8	Very high	93.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.2	177.6	66.7	0	0	0	0	110.7	V90 W167 G212 S214 V253 C254 V255	V90-V216 HydrophobicContact CB-CG1 4.38Å; V90-V216 HydrophobicContact CB-CG2 4.07Å; V90-V216 HydrophobicContact CG1-CG2 3.89Å; W167-V216 HydrophobicContact CH2-CG1 3.63Å; W167-V216 HydrophobicContact CZ2-CG1 4.17Å; W167-V216 HydrophobicContact CZ3-CG1 4.08Å; G212-V216 PolarHBondContact N-O 2.83Å; G212-V216 PolarHBondContact O-N 3.47Å; S214-V216 VanDerWaalsContact OG-CG1 3.31Å; S214-V216 WeakPolarHBondContact OG-CG1 3.28Å; V216-V253 HydrophobicContact CG2-CG1 3.6Å; V216-C254 CarbonylContact C-O 3.54Å; V216-C254 WeakPolarHBondContact CA-O 3.19Å; V216-V255 HydrophobicContact CB-CG1 4.21Å; V216-V255 HydrophobicContact CG2-CG1 3.92Å
217	T	97.1	Very high	93.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.2	168	49.9	0	0	0	0	111	Y209 F210 L211 V253 C254 A262 A266	Y209-T217 HydrophobicContact CE2-CG2 3.64Å; F210-T217 CarbonylContact O-C 3.59Å; F210-T217 VanDerWaalsContact O-CA 3.23Å; F210-T217 WeakPolarHBondContact O-CA 3.45Å; L211-T217 HydrophobicContact CB-CG2 4.43Å; L211-T217 HydrophobicContact CD1-CG2 3.44Å; L211-T217 VanDerWaalsContact CD1-CG2 3.44Å; T217-V253 CarbonylContact O-C 3.59Å; T217-V253 VanDerWaalsContact O-CA 3.29Å; T217-V253 WeakPolarHBondContact O-CA 3.35Å; T217-C254 PolarHBondContact N-O 2.86Å; T217-C254 PolarHBondContact O-N 3.06Å; T217-A262 HydrophobicContact CG2-CB 3.98Å; T217-A262 WeakPolarHBondContact CG2-O 3.14Å; T217-A266 HydrophobicContact CG2-CB 3.99Å
218	V	97.3	Very high	93.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.6	174.4	-175.5	0	0	0	0	108.1	F160 W167 Y209 F210 V220 F236 Y251 T252 V253	F160-V218 HydrophobicContact CD1-CG2 3.75Å; F160-V218 HydrophobicContact CE1-CB 4.38Å; F160-V218 HydrophobicContact CE1-CG1 3.8Å; F160-V218 HydrophobicContact CE1-CG2 3.62Å; F160-V218 HydrophobicContact CE2-CG1 4.41Å; F160-V218 HydrophobicContact CZ-CG1 3.73Å; F160-V218 HydrophobicContact CZ-CG2 4.37Å; W167-V218 HydrophobicContact CH2-CG2 3.89Å; W167-V218 HydrophobicContact CZ3-CG2 3.97Å; Y209-V218 WeakPolarHBondContact CA-O 3.09Å; F210-V218 HydrophobicContact CB-CB 4.28Å; F210-V218 PolarHBondContact N-O 2.94Å; F210-V218 PolarHBondContact O-N 3.02Å; V218-V220 HydrophobicContact CG1-CG2 4.44Å; V218-F236 HydrophobicContact CG2-CZ 4.45Å; V218-Y251 HydrophobicContact CG1-CD2 4.05Å; V218-Y251 HydrophobicContact CG1-CG 4.48Å; V218-T252 WeakPolarHBondContact CA-O 3.46Å; V218-V253 HydrophobicContact CG2-CG1 4.45Å; V218-V253 HydrophobicContact CG2-CG2 4.38Å
219	L	95.2	Very high	93.7	Very high	24 Å²	24	14.8 Å²	14.8	13%	0.126	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	107.7	178.3	-68.4	168.7	0	0	0	108.4	R208 Y209 Y251 T252 Q269 L270	R208-L219 WeakPolarHBondContact O-CA 3.3Å; Y209-L219 HydrophobicContact CD2-CD2 3.64Å; Y209-L219 HydrophobicContact CG-CD2 4.23Å; L219-Y251 CarbonylContact O-C 3.59Å; L219-Y251 WeakPolarHBondContact O-CA 3.39Å; L219-Y251 WeakPolarHBondContact O-CB 3.29Å; L219-T252 PolarHBondContact N-O 3.03Å; L219-T252 PolarHBondContact O-N 2.85Å; L219-Q269 HydrophobicContact CD1-CB 4.5Å; L219-L270 HydrophobicContact CD2-CD1 4.04Å; L219-L270 HydrophobicContact CD2-CD2 4.15Å; L219-L270 HydrophobicContact CD2-CG 4.16Å
220	V	94.8	Very high	93.7	Very high	8 Å²	8	15 Å²	15	5%	0.048	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.5	179.7	-169.3	0	0	0	0	109.5	R208 F210 V218 V226 L238	R208-V220 HydrophobicContact CB-CB 4.13Å; R208-V220 WeakPolarHBondContact CB-O 3.31Å; R208-V220 PolarHBondContact O-N 2.7Å; F210-V220 HydrophobicContact CE2-CG2 4.3Å; V218-V220 HydrophobicContact CG1-CG2 4.44Å; V220-V226 HydrophobicContact CG1-CG1 4.24Å; V220-V226 HydrophobicContact CG1-CG2 4.28Å; V220-L238 HydrophobicContact CG1-CD1 4.2Å; V220-L238 HydrophobicContact CG2-CD1 3.53Å; V220-L238 HydrophobicContact CG2-CD2 4.02Å; V220-L238 HydrophobicContact CG2-CG 4.44Å
221	S	91.3	Very high	93.7	Very high	25 Å²	25	17.8 Å²	17.8	18%	0.175	10%	0.103	C	C	.	.			trans	-54.2	128.4	-176.8	-176.2	0	0	0	0	110.8	R208 Q250	R208-S221 PolarHBondContact NH1-O 3.5Å; S221-Q250 VanDerWaalsContact CB-O 3.31Å; S221-Q250 WeakPolarHBondContact CB-O 3.32Å; S221-Q250 PolarHBondContact N-O 2.89Å
222	P	84.2	Confident	93.6	Very high	48 Å²	48	19.9 Å²	19.9	31%	0.312	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-30	-163.4	29.8	-36	0	0	0	113.7	R208	R208-P222 PolarHBondContact NH1-O 2.93Å
223	D	82.6	Confident	93.4	Very high	93 Å²	93	28 Å²	28	50%	0.497	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.5	-173.7	-47.7	-61.3	0	0	0	113.2	K467 R490	D223-K467 VanDerWaalsContact OD1-CE 3.23Å; D223-K467 WeakPolarHBondContact OD1-CE 3.19Å; D223-K467 IonicContact OD1-NZ 3.36Å; D223-K467 PolarHBondContact OD1-NZ 3.42Å; D223-R490 IonicContact OD1-NH1 2.64Å; D223-R490 PolarHBondContact OD1-NH1 3.33Å
224	I	85.5	Confident	93.4	Very high	22 Å²	22	33.6 Å²	33.6	11%	0.113	17%	0.173	C	C	.	.	S	Bend	trans	-105	116.4	174.3	-69.4	166.7	0	0	0	109.2	R208 V226 P248 Q250	R208-I224 PolarHBondContact NH1-O 2.85Å; I224-V226 HydrophobicContact CG2-CG1 4.41Å; I224-V226 PolarHBondContact O-N 3.14Å; I224-P248 HydrophobicContact CD1-CG 3.86Å; I224-P248 HydrophobicContact CG1-CG 4.36Å; I224-P248 VanDerWaalsContact CG2-O 3.27Å; I224-P248 WeakPolarHBondContact CG2-O 3.37Å; I224-Q250 HydrophobicContact CD1-CB 3.73Å
225	P	87.2	Confident	93.4	Very high	30 Å²	30	35 Å²	35	20%	0.195	18%	0.179	C	C	.	.			trans	-70.4	131.7	179.6	29	-33.8	0	0	0	111	L241 L247	P225-L241 HydrophobicContact CB-CD1 4.23Å; P225-L241 HydrophobicContact CB-CD2 4.37Å; P225-L247 HydrophobicContact CG-CD1 4.04Å
226	V	91.9	Very high	93.5	Very high	4 Å²	4	35 Å²	35	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.4	179.4	-64.4	0	0	0	0	111	Y190 V220 I224 K239 L249	Y190-V226 WeakPolarHBondContact CB-O 3.36Å; Y190-V226 HydrophobicContact CD1-CG2 4.41Å; Y190-V226 PolarHBondContact N-O 2.89Å; V220-V226 HydrophobicContact CG1-CG1 4.24Å; V220-V226 HydrophobicContact CG1-CG2 4.28Å; I224-V226 HydrophobicContact CG2-CG1 4.41Å; I224-V226 PolarHBondContact O-N 3.14Å; V226-K239 WeakPolarHBondContact CA-O 3.36Å; V226-L249 HydrophobicContact CG1-CD1 3.91Å
227	Q	93.4	Very high	93.5	Very high	28 Å²	28	35.1 Å²	35.1	13%	0.131	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	149.4	160.5	-50.1	-166.1	-78	0	0	108.5	M187 Q188 K239 L241	M187-Q227 HydrophobicContact CG-CB 4.1Å; M187-Q227 HydrophobicContact SD-CB 3.51Å; M187-Q227 VanDerWaalsContact SD-CB 3.51Å; Q188-Q227 CarbonylContact O-C 3.58Å; Q188-Q227 WeakPolarHBondContact O-CA 3.36Å; Q188-Q227 WeakPolarHBondContact O-CB 3.43Å; Q227-K239 HydrophobicContact CB-CB 4.29Å; Q227-K239 PolarHBondContact N-O 3.03Å; Q227-K239 PolarHBondContact O-N 2.84Å; Q227-L241 HydrophobicContact CG-CD1 3.59Å; Q227-L241 HydrophobicContact CG-CG 3.96Å
228	L	95.9	Very high	93.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.3	175.1	-161.3	145.9	0	0	0	109.9	M187 Q188 Y190 Y202 F210 L230 C237 L238	M187-L228 WeakPolarHBondContact CA-O 3.3Å; M187-L228 VanDerWaalsContact SD-C 3.53Å; Q188-L228 PolarHBondContact N-O 3.13Å; Q188-L228 PolarHBondContact O-N 2.93Å; Y190-L228 HydrophobicContact CD2-CB 3.62Å; Y190-L228 HydrophobicContact CD2-CD1 3.79Å; Y190-L228 HydrophobicContact CD2-CG 4.18Å; Y190-L228 HydrophobicContact CE2-CB 4.37Å; Y190-L228 HydrophobicContact CE2-CD1 3.77Å; Y190-L228 HydrophobicContact CE2-CG 4.46Å; Y190-L228 HydrophobicContact CG-CB 3.99Å; Y190-L228 HydrophobicContact CG-CD1 4.19Å; Y202-L228 HydrophobicContact CE1-CD2 4.34Å; Y202-L228 HydrophobicContact CE2-CB 4.43Å; Y202-L228 VanDerWaalsContact OH-C 3.32Å; Y202-L228 VanDerWaalsContact OH-CD2 3.31Å; Y202-L228 WeakPolarHBondContact OH-CD2 3.32Å; Y202-L228 PolarHBondContact OH-O 3.01Å; F210-L228 HydrophobicContact CE1-CD1 4.3Å; F210-L228 HydrophobicContact CE2-CD1 4.01Å; F210-L228 HydrophobicContact CZ-CD1 3.43Å; F210-L228 VanDerWaalsContact CZ-CD1 3.43Å; L228-L230 HydrophobicContact CD2-CD1 3.41Å; L228-L230 VanDerWaalsContact CD2-CD1 3.41Å; L228-L230 HydrophobicContact CD2-CG 4.13Å; L228-C237 WeakPolarHBondContact CA-O 3.37Å; L228-L238 HydrophobicContact CD1-CD2 3.57Å; L228-L238 HydrophobicContact CG-CD2 4.14Å
229	G	96.6	Very high	93.3	Very high	5 Å²	5	36.5 Å²	36.5	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.8	169.4	0	0	0	0	0	111	I185 F236 C237	I185-G229 CarbonylContact O-C 3.55Å; I185-G229 VanDerWaalsContact O-CA 3.25Å; I185-G229 WeakPolarHBondContact O-CA 3.45Å; G229-F236 CarbonylContact O-C 3.59Å; G229-F236 WeakPolarHBondContact O-CA 3.26Å; G229-C237 PolarHBondContact N-O 3.09Å; G229-C237 VanDerWaalsContact N-O 3.09Å; G229-C237 PolarHBondContact O-N 3.31Å
230	L	96.3	Very high	93	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.7	178.4	-63.5	93.2	0	0	0	109.7	M162 I180 Q183 N184 I185 Y202 L228 F236	M162-L230 HydrophobicContact CE-CD2 4.33Å; I180-L230 HydrophobicContact CB-CD2 4.36Å; I180-L230 HydrophobicContact CD1-CD2 4.01Å; I180-L230 HydrophobicContact CG1-CD2 4.18Å; Q183-L230 HydrophobicContact CB-CB 4.48Å; Q183-L230 HydrophobicContact CB-CD2 4.09Å; N184-L230 WeakPolarHBondContact CA-O 3.37Å; I185-L230 HydrophobicContact CB-CB 4.43Å; I185-L230 HydrophobicContact CB-CD1 3.87Å; I185-L230 HydrophobicContact CD1-CD1 3.93Å; I185-L230 HydrophobicContact CG1-CD1 4.04Å; I185-L230 PolarHBondContact N-O 2.81Å; I185-L230 PolarHBondContact O-N 3.21Å; Y202-L230 HydrophobicContact CE1-CD1 4.31Å; L228-L230 HydrophobicContact CD2-CD1 3.41Å; L228-L230 VanDerWaalsContact CD2-CD1 3.41Å; L228-L230 HydrophobicContact CD2-CG 4.13Å; L230-F236 HydrophobicContact CD2-CB 4.27Å; L230-F236 HydrophobicContact CG-CB 3.94Å
231	D	96.3	Very high	92.3	Very high	61 Å²	61	36.9 Å²	36.9	33%	0.326	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110.5	172.1	-64.6	-47.1	0	0	0	108.4	R233 Q234 Q235	D231-R233 PolarHBondContact O-N 3.12Å; D231-Q234 HydrophobicContact CB-CB 4.01Å; D231-Q234 PolarHBondContact O-N 3.1Å; D231-Q235 HydrophobicContact CB-CG 3.9Å; D231-Q235 PolarHBondContact N-O 2.91Å; D231-Q235 PolarHBondContact O-N 2.96Å; D231-Q235 VanDerWaalsContact O-N 3.15Å; D231-Q235 WeakPolarHBondContact OD2-CG 3.33Å; D231-Q235 PolarHBondContact OD2-NE2 3.36Å
232	C	95.5	Very high	91.4	Very high	45 Å²	45	40 Å²	40	30%	0.304	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46	123.7	-174.2	-174.8	0	0	0	0	112.9	D182 Q183 N184 Q234	D182-C232 PolarHBondContact O-SG 2.97Å; Q183-C232 WeakPolarHBondContact O-CA 3.27Å; Q183-C232 WeakPolarHBondContact O-CB 3.26Å; Q183-C232 PolarHBondContact O-N 2.97Å; N184-C232 HydrophobicContact CB-CB 4.19Å; C232-Q234 PolarHBondContact O-N 2.68Å; C232-Q234 VanDerWaalsContact O-N 3.08Å; C232-Q234 PolarHBondContact O-NE2 3.45Å
233	R	95.3	Very high	90.7	Very high	169 Å²	169	39.4 Å²	39.4	64%	0.638	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	14.6	-177.4	-59.1	-177.7	-179.7	-144	-12.3	116	N181 D182 D231	N181-R233 PolarHBondContact O-N 3.27Å; D182-R233 VanDerWaalsContact CG-NH2 3.26Å; D182-R233 IonicContact OD1-CZ 3.86Å; D182-R233 IonicContact OD1-NE 2.66Å; D182-R233 PolarHBondContact OD1-NE 2.77Å; D182-R233 IonicContact OD1-NH2 2.93Å; D182-R233 PolarHBondContact OD1-NH2 3.16Å; D182-R233 IonicContact OD2-CZ 2.85Å; D182-R233 IonicContact OD2-NE 2.65Å; D182-R233 IonicContact OD2-NH2 3.14Å; D182-R233 PolarHBondContact OD2-NH2 3.5Å; D231-R233 PolarHBondContact O-N 3.12Å
234	Q	96.2	Very high	90	Very high	125 Å²	125	42.5 Å²	42.5	58%	0.584	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-60.5	-179	-72.7	163.2	89.3	0	0	111.4	M162 D231 C232	M162-Q234 WeakPolarHBondContact CB-O 3.47Å; M162-Q234 PolarHBondContact N-O 3.29Å; D231-Q234 HydrophobicContact CB-CB 4.01Å; D231-Q234 PolarHBondContact O-N 3.1Å; C232-Q234 PolarHBondContact O-N 2.68Å; C232-Q234 VanDerWaalsContact O-N 3.08Å; C232-Q234 PolarHBondContact O-NE2 3.45Å
235	Q	96.5	Very high	89.4	Confident	38 Å²	38	47.4 Å²	47.4	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	159.1	-171.2	57.7	-168.6	6.3	0	0	112.2	C159 F160 D231	C159-Q235 HydrophobicContact CB-CB 4.26Å; C159-Q235 HydrophobicContact CB-CG 4.32Å; C159-Q235 VanDerWaalsContact CB-OE1 3.26Å; F160-Q235 WeakPolarHBondContact O-CA 3.45Å; F160-Q235 WeakPolarHBondContact O-CB 3.37Å; D231-Q235 HydrophobicContact CB-CG 3.9Å; D231-Q235 PolarHBondContact N-O 2.91Å; D231-Q235 PolarHBondContact O-N 2.96Å; D231-Q235 VanDerWaalsContact O-N 3.15Å; D231-Q235 WeakPolarHBondContact OD2-CG 3.33Å; D231-Q235 PolarHBondContact OD2-NE2 3.36Å
236	F	97.1	Very high	89.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143	154.5	73.7	-88.4	0	0	0	109.3	C159 F160 M162 W167 F210 V218 G229 L230	C159-F236 CarbonylContact C-O 3.56Å; C159-F236 WeakPolarHBondContact CA-O 3.44Å; F160-F236 HydrophobicContact CB-CD1 3.9Å; F160-F236 HydrophobicContact CB-CE1 3.45Å; F160-F236 VanDerWaalsContact CB-CE1 3.45Å; F160-F236 HydrophobicContact CB-CE2 4.16Å; F160-F236 HydrophobicContact CB-CG 4.43Å; F160-F236 HydrophobicContact CB-CZ 3.6Å; F160-F236 HydrophobicContact CD1-CZ 4.31Å; F160-F236 HydrophobicContact CD2-CD2 4.03Å; F160-F236 HydrophobicContact CD2-CE1 4.35Å; F160-F236 AromaticContact CD2-CE2 3.48Å; F160-F236 HydrophobicContact CD2-CE2 3.48Å; F160-F236 VanDerWaalsContact CD2-CE2 3.48Å; F160-F236 AromaticContact CD2-CZ 3.67Å; F160-F236 HydrophobicContact CD2-CZ 3.67Å; F160-F236 HydrophobicContact CE2-CE2 4.11Å; F160-F236 HydrophobicContact CE2-CZ 4.47Å; F160-F236 HydrophobicContact CG-CE1 4.01Å; F160-F236 AromaticContact CG-CE2 3.93Å; F160-F236 HydrophobicContact CG-CE2 3.93Å; F160-F236 AromaticContact CG-CZ 3.59Å; F160-F236 HydrophobicContact CG-CZ 3.59Å; F160-F236 PolarHBondContact N-O 3.07Å; F160-F236 PolarHBondContact O-N 2.92Å; F160-F236 VanDerWaalsContact O-N 3.13Å; M162-F236 HydrophobicContact CE-CB 4.24Å; W167-F236 HydrophobicContact CD2-CD1 4.34Å; W167-F236 AromaticContact CD2-CE1 3.65Å; W167-F236 HydrophobicContact CD2-CE1 3.65Å; W167-F236 AromaticContact CE2-CE1 3.82Å; W167-F236 AromaticContact CE3-CE1 3.66Å; W167-F236 HydrophobicContact CE3-CE1 3.66Å; W167-F236 HydrophobicContact CE3-CZ 4.26Å; W167-F236 HydrophobicContact CG-CD1 4.49Å; W167-F236 HydrophobicContact CG-CE1 4.24Å; W167-F236 HydrophobicContact CH2-CE1 4.02Å; W167-F236 HydrophobicContact CH2-CZ 4.34Å; W167-F236 HydrophobicContact CZ2-CE1 4.01Å; W167-F236 AromaticContact CZ3-CE1 3.86Å; W167-F236 HydrophobicContact CZ3-CE1 3.86Å; W167-F236 HydrophobicContact CZ3-CZ 4.11Å; F210-F236 HydrophobicContact CB-CE1 4.48Å; F210-F236 HydrophobicContact CB-CZ 3.93Å; F210-F236 HydrophobicContact CD1-CE2 4.18Å; F210-F236 HydrophobicContact CD1-CZ 4.18Å; F210-F236 AromaticContact CD2-CE2 3.99Å; F210-F236 HydrophobicContact CD2-CE2 3.99Å; F210-F236 HydrophobicContact CD2-CZ 4.22Å; F210-F236 HydrophobicContact CE1-CE2 4.47Å; F210-F236 HydrophobicContact CE2-CE2 4.3Å; F210-F236 AromaticContact CG-CE2 3.95Å; F210-F236 HydrophobicContact CG-CE2 3.95Å; F210-F236 AromaticContact CG-CZ 3.83Å; F210-F236 HydrophobicContact CG-CZ 3.83Å; V218-F236 HydrophobicContact CG2-CZ 4.45Å; G229-F236 CarbonylContact O-C 3.59Å; G229-F236 WeakPolarHBondContact O-CA 3.26Å; L230-F236 HydrophobicContact CD2-CB 4.27Å; L230-F236 HydrophobicContact CG-CB 3.94Å
237	C	96.9	Very high	88.8	Confident	2 Å²	2	54 Å²	54	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.6	-173.6	-62	0	0	0	0	111.4	D158 C159 M187 L228 G229	D158-C237 CarbonylContact O-C 3.49Å; D158-C237 VanDerWaalsContact O-CA 3.31Å; D158-C237 WeakPolarHBondContact O-CA 3.3Å; C159-C237 HydrophobicContact CB-CB 4.13Å; C159-C237 WeakPolarHBondContact CB-SG 3.39Å; C159-C237 WeakPolarHBondContact SG-CB 3.13Å; C159-C237 CovalentContact SG-SG 2.04Å; C159-C237 PolarHBondContact SG-SG 3.33Å; M187-C237 HydrophobicContact CE-CB 3.65Å; L228-C237 WeakPolarHBondContact CA-O 3.37Å; G229-C237 PolarHBondContact N-O 3.09Å; G229-C237 VanDerWaalsContact N-O 3.09Å; G229-C237 PolarHBondContact O-N 3.31Å
238	L	96.3	Very high	88.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	144	166.2	-55.5	178.3	0	0	0	109	K157 D158 F160 V220 L228 L249 Y251	K157-L238 VanDerWaalsContact CA-O 3.29Å; K157-L238 WeakPolarHBondContact CA-O 3.49Å; D158-L238 PolarHBondContact N-O 2.85Å; D158-L238 PolarHBondContact O-N 2.82Å; F160-L238 HydrophobicContact CE2-CD1 3.69Å; F160-L238 HydrophobicContact CE2-CG 3.88Å; F160-L238 HydrophobicContact CZ-CD1 4.16Å; V220-L238 HydrophobicContact CG1-CD1 4.2Å; V220-L238 HydrophobicContact CG2-CD1 3.53Å; V220-L238 HydrophobicContact CG2-CD2 4.02Å; V220-L238 HydrophobicContact CG2-CG 4.44Å; L228-L238 HydrophobicContact CD1-CD2 3.57Å; L228-L238 HydrophobicContact CG-CD2 4.14Å; L238-L249 HydrophobicContact CB-CD1 4.04Å; L238-Y251 HydrophobicContact CD1-CD1 4.24Å; L238-Y251 HydrophobicContact CD1-CG 4.38Å
239	K	93.6	Very high	88.6	Confident	30 Å²	30	54.7 Å²	54.7	13%	0.13	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	139.7	176.1	-172.8	-165.7	167.9	-161.4	0	111.2	E155 L156 K157 M187 V226 Q227	E155-K239 VanDerWaalsContact OE1-CE 3.31Å; E155-K239 WeakPolarHBondContact OE1-CE 3.18Å; E155-K239 IonicContact OE1-NZ 3.92Å; E155-K239 PolarHBondContact OE1-NZ 2.59Å; E155-K239 WeakPolarHBondContact OE2-CE 3.48Å; E155-K239 IonicContact OE2-NZ 3.83Å; E155-K239 PolarHBondContact OE2-NZ 3.19Å; L156-K239 CarbonylContact O-C 3.54Å; L156-K239 VanDerWaalsContact O-CA 3.23Å; L156-K239 WeakPolarHBondContact O-CA 3.46Å; L156-K239 VanDerWaalsContact O-CG 3.28Å; L156-K239 WeakPolarHBondContact O-CG 3.25Å; K157-K239 HydrophobicContact CB-CB 4.5Å; K157-K239 HydrophobicContact CB-CG 4.27Å; K157-K239 HydrophobicContact CG-CB 4.33Å; K157-K239 HydrophobicContact CG-CG 4.46Å; M187-K239 HydrophobicContact CE-CB 4.02Å; M187-K239 HydrophobicContact CG-CD 4.1Å; M187-K239 HydrophobicContact SD-CB 3.73Å; M187-K239 HydrophobicContact SD-CD 4.28Å; V226-K239 WeakPolarHBondContact CA-O 3.36Å; Q227-K239 HydrophobicContact CB-CB 4.29Å; Q227-K239 PolarHBondContact N-O 3.03Å; Q227-K239 PolarHBondContact O-N 2.84Å
240	S	89.6	Confident	88.5	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139	172.2	61.4	0	0	0	0	111.3	L156	L156-S240 PolarHBondContact N-OG 3.22Å; L156-S240 PolarHBondContact O-N 3.19Å; L156-S240 PolarHBondContact O-OG 3.11Å
241	L	80.6	Confident	88.5	Confident	37 Å²	37	57.5 Å²	57.5	19%	0.194	28%	0.282	C	S	.	.			trans	-63.1	142.7	172.7	-93.9	74	0	0	0	111.4	P225 Q227 S243 L247	P225-L241 HydrophobicContact CB-CD1 4.23Å; P225-L241 HydrophobicContact CB-CD2 4.37Å; Q227-L241 HydrophobicContact CG-CD1 3.59Å; Q227-L241 HydrophobicContact CG-CG 3.96Å; L241-S243 PolarHBondContact O-N 3.42Å; L241-S243 VanDerWaalsContact O-N 3.11Å; L241-L247 HydrophobicContact CB-CD1 3.97Å
242	P	71.6	Confident	88.4	Confident	91 Å²	91	56 Å²	56	59%	0.591	28%	0.275	S	S	*	.			trans	-58.9	115	171.2	-20.4	31.4	0	0	0	110.6
243	S	70.8	Confident	88.5	Confident	35 Å²	35	53.9 Å²	53.9	25%	0.245	26%	0.26	C	S	.	.			trans	-151.7	138.2	-174.1	178.3	0	0	0	0	113.6	C152 L241 E245 L247	C152-S243 WeakPolarHBondContact CB-O 3.08Å; L241-S243 PolarHBondContact O-N 3.42Å; L241-S243 VanDerWaalsContact O-N 3.11Å; S243-E245 PolarHBondContact O-N 2.81Å; S243-E245 PolarHBondContact OG-N 2.8Å; S243-E245 VanDerWaalsContact OG-N 3.1Å; S243-L247 VanDerWaalsContact CB-CD1 3.46Å
244	M	67.2	Low	88.5	Confident	157 Å²	157	46 Å²	46	77%	0.773	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.6	171.9	-64.6	-59.6	-66.4	0	0	113.2
245	E	73.2	Confident	88.4	Confident	125 Å²	125	40 Å²	40	58%	0.584	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	4.7	-170.5	-61.3	179.4	-173	0	0	113.4	S243 R458	S243-E245 PolarHBondContact O-N 2.81Å; S243-E245 PolarHBondContact OG-N 2.8Å; S243-E245 VanDerWaalsContact OG-N 3.1Å; E245-R458 IonicContact OE1-CZ 2.88Å; E245-R458 IonicContact OE1-NH2 3.78Å; E245-R458 PolarHBondContact OE1-NH2 2.82Å
246	R	81.9	Confident	88.3	Confident	135 Å²	135	38.2 Å²	38.2	51%	0.509	20%	0.195	S	C	.	.			trans	57	56.3	-178.9	-66.8	-174.9	-62.4	168.6	3.5	112.7	P149 V150 C152	P149-R246 HydrophobicContact CG-CB 3.99Å; V150-R246 PolarHBondContact O-NH1 2.99Å; C152-R246 HydrophobicContact CB-CG 4.18Å
247	L	84.8	Confident	88	Confident	39 Å²	39	45.2 Å²	45.2	20%	0.204	22%	0.221	C	C	.	.			trans	-57.8	126.1	178.3	-66.7	173.8	0	0	0	111	P149 P225 L241 S243	P149-L247 WeakPolarHBondContact CG-O 3.39Å; P225-L247 HydrophobicContact CG-CD1 4.04Å; L241-L247 HydrophobicContact CB-CD1 3.97Å; S243-L247 VanDerWaalsContact CB-CD1 3.46Å
248	P	90.8	Very high	87.9	Confident	43 Å²	43	47 Å²	47	28%	0.279	23%	0.23	S	C	.	.			trans	-71.7	168.6	174.3	30.9	-35.1	0	0	0	111.7	W147 I224	W147-P248 CarbonylContact O-C 3.54Å; W147-P248 WeakPolarHBondContact O-CA 3.42Å; W147-P248 WeakPolarHBondContact O-CB 3.39Å; I224-P248 HydrophobicContact CD1-CG 3.86Å; I224-P248 HydrophobicContact CG1-CG 4.36Å; I224-P248 VanDerWaalsContact CG2-O 3.27Å; I224-P248 WeakPolarHBondContact CG2-O 3.37Å
249	L	92.9	Very high	87.9	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.8	162.9	176.3	60.4	0	0	0	107.5	W147 L156 D158 V226 L238 Y251	W147-L249 HydrophobicContact CB-CB 4.24Å; W147-L249 WeakPolarHBondContact CB-O 3.32Å; W147-L249 PolarHBondContact N-O 2.95Å; W147-L249 PolarHBondContact O-N 2.86Å; L156-L249 HydrophobicContact CB-CB 3.96Å; L156-L249 HydrophobicContact CB-CD2 4.18Å; L156-L249 HydrophobicContact CD1-CB 3.86Å; D158-L249 HydrophobicContact CB-CD2 4.3Å; D158-L249 VanDerWaalsContact OD2-CD2 3.3Å; D158-L249 WeakPolarHBondContact OD2-CD2 3.31Å; V226-L249 HydrophobicContact CG1-CD1 3.91Å; L238-L249 HydrophobicContact CB-CD1 4.04Å; L249-Y251 HydrophobicContact CG-CD1 4.29Å; L249-Y251 HydrophobicContact CG-CE1 4.34Å
250	Q	95.1	Very high	88	Confident	71 Å²	71	47.6 Å²	47.6	33%	0.332	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.4	-176.9	-171.4	-171	2.2	0	0	111.1	M145 A146 S221 I224	M145-Q250 VanDerWaalsContact O-CA 3.3Å; M145-Q250 WeakPolarHBondContact O-CA 3.07Å; M145-Q250 WeakPolarHBondContact O-CG 3.31Å; A146-Q250 HydrophobicContact CB-CG 4.24Å; S221-Q250 VanDerWaalsContact CB-O 3.31Å; S221-Q250 WeakPolarHBondContact CB-O 3.32Å; S221-Q250 PolarHBondContact N-O 2.89Å; I224-Q250 HydrophobicContact CD1-CB 3.73Å
251	Y	95.9	Very high	88.2	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	153.7	176.6	58.6	-85.2	0	0	0	109.8	I92 M145 D158 F160 V218 L219 L238 L249 V253	I92-Y251 HydrophobicContact CD1-CE2 4.31Å; M145-Y251 WeakPolarHBondContact CA-O 3.4Å; M145-Y251 HydrophobicContact CB-CD1 4.33Å; M145-Y251 HydrophobicContact CB-CD2 4.16Å; M145-Y251 HydrophobicContact CB-CE1 3.92Å; M145-Y251 HydrophobicContact CB-CE2 3.76Å; M145-Y251 HydrophobicContact CB-CG 4.43Å; M145-Y251 WeakPolarHBondContact CB-O 3.38Å; M145-Y251 HydrophobicContact CG-CD2 4.09Å; M145-Y251 HydrophobicContact CG-CE1 4.48Å; M145-Y251 HydrophobicContact CG-CE2 3.46Å; M145-Y251 VanDerWaalsContact CG-CE2 3.46Å; M145-Y251 PolarHBondContact N-O 3.3Å; M145-Y251 PolarHBondContact O-N 2.69Å; M145-Y251 VanDerWaalsContact O-N 3.07Å; D158-Y251 HydrophobicContact CB-CE1 4.35Å; D158-Y251 VanDerWaalsContact OD2-CE1 3.31Å; D158-Y251 WeakPolarHBondContact OD2-CE1 3.35Å; D158-Y251 PolarHBondContact OD2-OH 2.95Å; F160-Y251 HydrophobicContact CE1-CD2 4.24Å; F160-Y251 AromaticContact CE1-CE2 3.84Å; F160-Y251 HydrophobicContact CE1-CE2 3.84Å; F160-Y251 AromaticContact CZ-CD2 3.76Å; F160-Y251 HydrophobicContact CZ-CD2 3.76Å; F160-Y251 HydrophobicContact CZ-CE1 4.43Å; F160-Y251 AromaticContact CZ-CE2 3.48Å; F160-Y251 HydrophobicContact CZ-CE2 3.48Å; F160-Y251 VanDerWaalsContact CZ-CE2 3.48Å; F160-Y251 HydrophobicContact CZ-CG 4.35Å; F160-Y251 AromaticContact CZ-CZ 3.87Å; V218-Y251 HydrophobicContact CG1-CD2 4.05Å; V218-Y251 HydrophobicContact CG1-CG 4.48Å; L219-Y251 CarbonylContact O-C 3.59Å; L219-Y251 WeakPolarHBondContact O-CA 3.39Å; L219-Y251 WeakPolarHBondContact O-CB 3.29Å; L238-Y251 HydrophobicContact CD1-CD1 4.24Å; L238-Y251 HydrophobicContact CD1-CG 4.38Å; L249-Y251 HydrophobicContact CG-CD1 4.29Å; L249-Y251 HydrophobicContact CG-CE1 4.34Å; Y251-V253 HydrophobicContact CD2-CG2 3.57Å; Y251-V253 HydrophobicContact CE2-CG2 3.51Å
252	T	95.6	Very high	88.8	Confident	30 Å²	30	46.9 Å²	46.9	18%	0.184	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.7	172.9	-62.9	0	0	0	0	109.5	C142 S144 V218 L219	C142-T252 HydrophobicContact CB-CG2 3.99Å; S144-T252 WeakPolarHBondContact CB-OG1 3.26Å; S144-T252 PolarHBondContact OG-OG1 2.04Å; V218-T252 WeakPolarHBondContact CA-O 3.46Å; L219-T252 PolarHBondContact N-O 3.03Å; L219-T252 PolarHBondContact O-N 2.85Å
253	V	96.6	Very high	90	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111.7	176.3	-172.7	0	0	0	0	109	I80 V90 I92 Y143 F160 V216 T217 V218 Y251	I80-V253 HydrophobicContact CD1-CB 4.12Å; I80-V253 HydrophobicContact CD1-CG1 3.74Å; V90-V253 HydrophobicContact CG1-CG1 4.02Å; I92-V253 HydrophobicContact CD1-CG2 4.16Å; Y143-V253 PolarHBondContact N-O 3.39Å; Y143-V253 PolarHBondContact O-N 2.8Å; F160-V253 HydrophobicContact CE1-CG2 4.17Å; V216-V253 HydrophobicContact CG2-CG1 3.6Å; T217-V253 CarbonylContact O-C 3.59Å; T217-V253 VanDerWaalsContact O-CA 3.29Å; T217-V253 WeakPolarHBondContact O-CA 3.35Å; V218-V253 HydrophobicContact CG2-CG1 4.45Å; V218-V253 HydrophobicContact CG2-CG2 4.38Å; Y251-V253 HydrophobicContact CD2-CG2 3.57Å; Y251-V253 HydrophobicContact CE2-CG2 3.51Å
254	C	95.1	Very high	91	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.1	176.3	-58.6	0	0	0	0	110.9	E141 C142 V216 T217	E141-C254 CarbonylContact O-C 3.35Å; E141-C254 WeakPolarHBondContact O-CA 3.24Å; C142-C254 HydrophobicContact CB-CB 4.15Å; C142-C254 WeakPolarHBondContact CB-SG 3.12Å; C142-C254 WeakPolarHBondContact SG-CB 3.31Å; C142-C254 CovalentContact SG-SG 2.04Å; C142-C254 PolarHBondContact SG-SG 3.13Å; V216-C254 CarbonylContact C-O 3.54Å; V216-C254 WeakPolarHBondContact CA-O 3.19Å; T217-C254 PolarHBondContact N-O 2.86Å; T217-C254 PolarHBondContact O-N 3.06Å
255	V	95.3	Very high	92	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.7	175.3	-65.9	0	0	0	0	111.2	F66 I80 Y89 T140 E141 Y143 G215 V216	F66-V255 HydrophobicContact CE2-CG2 4.12Å; F66-V255 HydrophobicContact CZ-CG2 4.47Å; I80-V255 HydrophobicContact CG2-CG1 3.9Å; I80-V255 HydrophobicContact CG2-CG2 4.29Å; Y89-V255 HydrophobicContact CD1-CB 4.07Å; Y89-V255 HydrophobicContact CD1-CG1 4.01Å; Y89-V255 HydrophobicContact CD2-CB 4.04Å; Y89-V255 HydrophobicContact CD2-CG1 3.94Å; Y89-V255 HydrophobicContact CD2-CG2 4.31Å; Y89-V255 HydrophobicContact CE1-CB 4.23Å; Y89-V255 HydrophobicContact CE2-CB 4.19Å; Y89-V255 HydrophobicContact CE2-CG2 4.3Å; Y89-V255 HydrophobicContact CG-CB 3.96Å; Y89-V255 HydrophobicContact CG-CG1 3.6Å; T140-V255 VanDerWaalsContact CA-O 3.23Å; T140-V255 WeakPolarHBondContact CA-O 3.25Å; E141-V255 HydrophobicContact CB-CG2 4.14Å; E141-V255 PolarHBondContact N-O 3Å; E141-V255 PolarHBondContact O-N 3.23Å; Y143-V255 HydrophobicContact CE2-CG2 4.36Å; G215-V255 CarbonylContact O-C 3.45Å; G215-V255 WeakPolarHBondContact O-CA 3.37Å; V216-V255 HydrophobicContact CB-CG1 4.21Å; V216-V255 HydrophobicContact CG2-CG1 3.92Å
256	A	93.7	Very high	92.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.15	C	C	.	.			trans	-139.2	-173.7	-179.2	0	0	0	0	0	110.9	Y89 T140 G215 A261 A262	Y89-A256 WeakPolarHBondContact CE1-O 3.3Å; Y89-A256 PolarHBondContact OH-O 2.74Å; T140-A256 HydrophobicContact CG2-CB 3.75Å; G215-A256 PolarHBondContact O-N 2.81Å; A256-A261 HydrophobicContact CB-CB 3.89Å; A256-A262 HydrophobicContact CB-CB 3.84Å
257	R	91.1	Very high	93.1	Very high	146 Å²	146	26.4 Å²	26.4	55%	0.551	13%	0.132	S	C	*	.	S	Bend	trans	-71.7	-30.1	179	-61.9	-173.6	-171.8	141.2	11.8	114.4	E139	E139-R257 IonicContact OE1-CZ 2.8Å; E139-R257 IonicContact OE1-NH1 2.72Å; E139-R257 PolarHBondContact OE1-NH1 2.82Å; E139-R257 IonicContact OE1-NH2 2.69Å; E139-R257 PolarHBondContact OE1-NH2 2.9Å; E139-R257 IonicContact OE2-CZ 2.92Å; E139-R257 IonicContact OE2-NE 3.21Å; E139-R257 IonicContact OE2-NH1 3.78Å; E139-R257 PolarHBondContact OE2-NH1 3.09Å; E139-R257 IonicContact OE2-NH2 2.68Å
258	N	93.9	Very high	92.9	Very high	39 Å²	39	30.8 Å²	30.8	21%	0.209	15%	0.151	C	C	.	.	S	Bend	trans	-158.4	173.3	-179.7	65.2	55	0	0	0	111.6	K260 A261 A262 P619	N258-K260 VanDerWaalsContact C-N 3.34Å; N258-K260 PolarHBondContact O-N 3.46Å; N258-K260 WeakPolarHBondContact OD1-CB 3.25Å; N258-K260 PolarHBondContact OD1-N 3.13Å; N258-A261 PolarHBondContact O-N 3.25Å; N258-A261 PolarHBondContact OD1-N 3.03Å; N258-A262 PolarHBondContact O-N 3.39Å; N258-P619 HydrophobicContact CB-CB 4.11Å
259	V	95.9	Very high	92.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-38	-176.8	62.7	0	0	0	0	113.8	Y168 L211 H263 W615 P619 F625	Y168-V259 HydrophobicContact CE2-CG2 4.36Å; L211-V259 HydrophobicContact CD1-CG2 3.96Å; L211-V259 HydrophobicContact CD2-CG2 3.74Å; L211-V259 HydrophobicContact CG-CG2 3.82Å; V259-H263 PolarHBondContact O-N 3.12Å; V259-H263 VanDerWaalsContact O-N 3.14Å; V259-W615 HydrophobicContact CB-CE3 4.39Å; V259-W615 HydrophobicContact CG1-CB 4.28Å; V259-W615 HydrophobicContact CG1-CD2 3.85Å; V259-W615 HydrophobicContact CG1-CE3 3.58Å; V259-W615 HydrophobicContact CG1-CG 4.19Å; V259-W615 HydrophobicContact CG1-CZ3 4.24Å; V259-W615 HydrophobicContact CG2-CD2 4.06Å; V259-W615 HydrophobicContact CG2-CE3 4Å; V259-W615 HydrophobicContact CG2-CH2 4.06Å; V259-W615 HydrophobicContact CG2-CZ2 4.06Å; V259-W615 HydrophobicContact CG2-CZ3 4.02Å; V259-P619 HydrophobicContact CG1-CB 3.73Å; V259-F625 HydrophobicContact CG1-CE1 4.18Å
260	K	95.8	Very high	91.6	Very high	44 Å²	44	36.7 Å²	36.7	19%	0.191	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-46.5	178	-174.4	177.7	-166.5	162.7	0	111.4	N258 A262 H263 L264 W616 P619	N258-K260 VanDerWaalsContact C-N 3.34Å; N258-K260 PolarHBondContact O-N 3.46Å; N258-K260 WeakPolarHBondContact OD1-CB 3.25Å; N258-K260 PolarHBondContact OD1-N 3.13Å; K260-A262 VanDerWaalsContact C-N 3.33Å; K260-A262 PolarHBondContact O-N 2.87Å; K260-H263 PolarHBondContact O-N 2.89Å; K260-L264 HydrophobicContact CG-CD1 4.04Å; K260-L264 HydrophobicContact CG-CG 4.4Å; K260-L264 VanDerWaalsContact O-CG 3.29Å; K260-L264 WeakPolarHBondContact O-CG 3.33Å; K260-L264 PolarHBondContact O-N 3.06Å; K260-W616 HydrophobicContact CD-CD2 4.36Å; K260-W616 VanDerWaalsContact CD-O 3.31Å; K260-W616 WeakPolarHBondContact CD-O 3.41Å; K260-W616 WeakPolarHBondContact CE-O 3.4Å; K260-W616 HydrophobicContact CG-CE3 4.4Å; K260-W616 VanDerWaalsContact NZ-CD1 3.32Å; K260-W616 PolarHBondContact NZ-O 2.78Å; K260-P619 HydrophobicContact CB-CB 3.86Å; K260-P619 HydrophobicContact CB-CG 4.22Å
261	A	94	Very high	90.2	Very high	22 Å²	22	35.1 Å²	35.1	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-42.1	177.5	0	0	0	0	0	112	A256 N258 H263 L264 E265	A256-A261 HydrophobicContact CB-CB 3.89Å; N258-A261 PolarHBondContact O-N 3.25Å; N258-A261 PolarHBondContact OD1-N 3.03Å; A261-H263 VanDerWaalsContact C-N 3.35Å; A261-H263 PolarHBondContact O-N 3Å; A261-L264 PolarHBondContact O-N 3.45Å; A261-E265 PolarHBondContact O-N 2.91Å; A261-E265 VanDerWaalsContact O-N 3.15Å
262	A	94.4	Very high	88.7	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-38.4	178.2	0	0	0	0	0	112.6	L211 T217 A256 N258 K260 A266	L211-A262 HydrophobicContact CD1-CB 4.11Å; T217-A262 HydrophobicContact CG2-CB 3.98Å; T217-A262 WeakPolarHBondContact CG2-O 3.14Å; A256-A262 HydrophobicContact CB-CB 3.84Å; N258-A262 PolarHBondContact O-N 3.39Å; K260-A262 VanDerWaalsContact C-N 3.33Å; K260-A262 PolarHBondContact O-N 2.87Å; A262-A266 WeakPolarHBondContact O-CB 3.48Å; A262-A266 PolarHBondContact O-N 2.91Å; A262-A266 VanDerWaalsContact O-N 3.11Å
263	H	95.1	Very high	87.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-70.1	-43.6	174.8	172.7	63.5	0	0	0	113	Y209 L211 V259 K260 A261 E265 A266 V267 L524 P609 W616	Y209-H263 AromaticContact CE1-ND1 3.95Å; Y209-H263 AromaticContact CZ-ND1 3.75Å; Y209-H263 PolarHBondContact OH-ND1 3.45Å; L211-H263 HydrophobicContact CD1-CB 4.2Å; L211-H263 HydrophobicContact CD2-CB 3.98Å; V259-H263 PolarHBondContact O-N 3.12Å; V259-H263 VanDerWaalsContact O-N 3.14Å; K260-H263 PolarHBondContact O-N 2.89Å; A261-H263 VanDerWaalsContact C-N 3.35Å; A261-H263 PolarHBondContact O-N 3Å; H263-E265 VanDerWaalsContact C-N 3.26Å; H263-E265 PolarHBondContact O-N 3.25Å; H263-A266 PolarHBondContact O-N 2.85Å; H263-V267 WeakPolarHBondContact CE1-CG2 3.3Å; H263-V267 WeakPolarHBondContact O-CB 3.05Å; H263-V267 WeakPolarHBondContact O-CG2 3.46Å; H263-V267 PolarHBondContact O-N 2.86Å; H263-L524 PolarHBondContact CE1-O 2.96Å; H263-P609 WeakPolarHBondContact NE2-CD 3.34Å; H263-W616 AromaticContact CD2-CZ3 3.62Å; H263-W616 AromaticContact NE2-CZ3 3.96Å
264	L	92.3	Very high	86.9	Confident	54 Å²	54	51.6 Å²	51.6	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-35.1	178.8	-70.8	171.7	0	0	0	112.6	K260 A261 Q268 N608 W616	K260-L264 HydrophobicContact CG-CD1 4.04Å; K260-L264 HydrophobicContact CG-CG 4.4Å; K260-L264 VanDerWaalsContact O-CG 3.29Å; K260-L264 WeakPolarHBondContact O-CG 3.33Å; K260-L264 PolarHBondContact O-N 3.06Å; A261-L264 PolarHBondContact O-N 3.45Å; L264-Q268 WeakPolarHBondContact O-CG 3.46Å; L264-Q268 PolarHBondContact O-N 3.34Å; L264-Q268 PolarHBondContact O-NE2 2.83Å; L264-Q268 VanDerWaalsContact O-NE2 3.13Å; L264-N608 WeakPolarHBondContact CD2-OD1 3.44Å; L264-W616 HydrophobicContact CD2-CH2 4.05Å
265	E	88.7	Confident	86.8	Confident	38 Å²	38	53.4 Å²	53.4	18%	0.178	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-53.1	170.7	178.5	71.5	-130.2	0	0	111.5	T140 A261 H263 V267 Q268 Q269	T140-E265 HydrophobicContact CG2-CB 3.69Å; T140-E265 HydrophobicContact CG2-CG 3.65Å; T140-E265 WeakPolarHBondContact CG2-OE2 3.23Å; T140-E265 PolarHBondContact OG1-OE2 3.4Å; A261-E265 PolarHBondContact O-N 2.91Å; A261-E265 VanDerWaalsContact O-N 3.15Å; H263-E265 VanDerWaalsContact C-N 3.26Å; H263-E265 PolarHBondContact O-N 3.25Å; E265-V267 PolarHBondContact O-N 2.88Å; E265-Q268 WeakPolarHBondContact O-CA 3.48Å; E265-Q268 WeakPolarHBondContact O-CB 3.35Å; E265-Q268 PolarHBondContact O-N 3.34Å; E265-Q269 PolarHBondContact O-N 3.12Å; E265-Q269 PolarHBondContact OE1-NE2 2.88Å
266	A	89.6	Confident	86.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-35	-178	0	0	0	0	0	112.5	Y209 T217 A262 H263 Q269 L270	Y209-A266 HydrophobicContact CD2-CB 4.18Å; Y209-A266 HydrophobicContact CE2-CB 3.52Å; T217-A266 HydrophobicContact CG2-CB 3.99Å; A262-A266 WeakPolarHBondContact O-CB 3.48Å; A262-A266 PolarHBondContact O-N 2.91Å; A262-A266 VanDerWaalsContact O-N 3.11Å; H263-A266 PolarHBondContact O-N 2.85Å; A266-Q269 PolarHBondContact O-N 2.79Å; A266-L270 WeakPolarHBondContact O-CB 3.46Å; A266-L270 VanDerWaalsContact O-CG 3.26Å; A266-L270 WeakPolarHBondContact O-CG 3.33Å; A266-L270 PolarHBondContact O-N 3.15Å
267	V	87.9	Confident	86.8	Confident	20 Å²	20	60.8 Å²	60.8	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-43.1	171.8	168.5	0	0	0	0	111.2	H263 E265 L270 S271	H263-V267 WeakPolarHBondContact CE1-CG2 3.3Å; H263-V267 WeakPolarHBondContact O-CB 3.05Å; H263-V267 WeakPolarHBondContact O-CG2 3.46Å; H263-V267 PolarHBondContact O-N 2.86Å; E265-V267 PolarHBondContact O-N 2.88Å; V267-L270 CarbonylContact O-C 3.58Å; V267-L270 PolarHBondContact O-N 2.94Å; V267-S271 VanDerWaalsContact O-CB 3.31Å; V267-S271 WeakPolarHBondContact O-CB 3Å; V267-S271 PolarHBondContact O-N 2.92Å; V267-S271 PolarHBondContact O-OG 3.33Å
268	Q	82.3	Confident	87	Confident	131 Å²	131	54 Å²	54	61%	0.612	28%	0.28	S	S	*	.	H	α-helix	trans	-62.6	-42.2	175.9	-75.4	172.5	70.7	0	0	111.9	L264 E265 L270 S271	L264-Q268 WeakPolarHBondContact O-CG 3.46Å; L264-Q268 PolarHBondContact O-N 3.34Å; L264-Q268 PolarHBondContact O-NE2 2.83Å; L264-Q268 VanDerWaalsContact O-NE2 3.13Å; E265-Q268 WeakPolarHBondContact O-CA 3.48Å; E265-Q268 WeakPolarHBondContact O-CB 3.35Å; E265-Q268 PolarHBondContact O-N 3.34Å; Q268-L270 VanDerWaalsContact C-N 3.28Å; Q268-L270 PolarHBondContact O-N 2.89Å; Q268-S271 WeakPolarHBondContact O-CB 3.23Å; Q268-S271 PolarHBondContact O-N 3.18Å
269	Q	78.5	Confident	87	Confident	72 Å²	72	52.7 Å²	52.7	34%	0.336	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-29.2	176.5	-63.9	179.7	12.6	0	0	112.9	C142 L219 E265 A266	C142-Q269 PolarHBondContact SG-NE2 2.85Å; C142-Q269 VanDerWaalsContact SG-NE2 3.43Å; L219-Q269 HydrophobicContact CD1-CB 4.5Å; E265-Q269 PolarHBondContact O-N 3.12Å; E265-Q269 PolarHBondContact OE1-NE2 2.88Å; A266-Q269 PolarHBondContact O-N 2.79Å
270	L	76.6	Confident	87	Confident	96 Å²	96	54.3 Å²	54.3	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-83.7	-7.4	171.5	-68	168.2	0	0	0	113.5	Y209 L219 A266 V267 Q268 E272	Y209-L270 HydrophobicContact CG-CD1 4.29Å; L219-L270 HydrophobicContact CD2-CD1 4.04Å; L219-L270 HydrophobicContact CD2-CD2 4.15Å; L219-L270 HydrophobicContact CD2-CG 4.16Å; A266-L270 WeakPolarHBondContact O-CB 3.46Å; A266-L270 VanDerWaalsContact O-CG 3.26Å; A266-L270 WeakPolarHBondContact O-CG 3.33Å; A266-L270 PolarHBondContact O-N 3.15Å; V267-L270 CarbonylContact O-C 3.58Å; V267-L270 PolarHBondContact O-N 2.94Å; Q268-L270 VanDerWaalsContact C-N 3.28Å; Q268-L270 PolarHBondContact O-N 2.89Å; L270-E272 PolarHBondContact O-N 3.31Å
271	S	67.1	Low	86.9	Confident	37 Å²	37	57.3 Å²	57.3	26%	0.259	29%	0.294	S	S	.	.			trans	-93.6	42.3	-174.3	-63.8	0	0	0	0	113.6	V267 Q268 L273 R275	V267-S271 VanDerWaalsContact O-CB 3.31Å; V267-S271 WeakPolarHBondContact O-CB 3Å; V267-S271 PolarHBondContact O-N 2.92Å; V267-S271 PolarHBondContact O-OG 3.33Å; Q268-S271 WeakPolarHBondContact O-CB 3.23Å; Q268-S271 PolarHBondContact O-N 3.18Å; S271-L273 PolarHBondContact O-N 3.25Å; S271-R275 PolarHBondContact OG-NH1 2.87Å
272	E	62.8	Low	87	Confident	180 Å²	180	56.3 Å²	56.3	84%	0.841	29%	0.285	S	S	*	.	S	Bend	trans	-63.4	-19.6	173.9	-63.3	-167.6	141.6	0	0	113.1	L270	L270-E272 PolarHBondContact O-N 3.31Å
273	L	72.5	Confident	87.1	Confident	106 Å²	106	56.2 Å²	56.2	56%	0.555	29%	0.285	S	S	*	.	S	Bend	trans	-119.4	145.5	-174.4	-62.6	173	0	0	0	111.8	S271 R275 H493	S271-L273 PolarHBondContact O-N 3.25Å; L273-R275 PolarHBondContact O-N 3.01Å; L273-H493 VanDerWaalsContact CD1-CE1 3.5Å; L273-H493 WeakPolarHBondContact CD1-CE1 3.43Å; L273-H493 WeakPolarHBondContact CD1-NE2 3.19Å
274	S	83.3	Confident	87.1	Confident	93 Å²	93	60.7 Å²	60.7	65%	0.65	30%	0.301	S	S	*	.			trans	-68	126.9	176.4	49	0	0	0	0	111.3
275	R	91.5	Very high	87.3	Confident	40 Å²	40	59.4 Å²	59.4	15%	0.151	30%	0.295	C	S	.	.			trans	-68.7	133.9	172.7	-78.6	171.8	-76.5	-86.2	1.5	111.5	S271 L273 H493 W603 Q604	S271-R275 PolarHBondContact OG-NH1 2.87Å; L273-R275 PolarHBondContact O-N 3.01Å; R275-H493 WeakPolarHBondContact CA-O 3.09Å; R275-H493 HydrophobicContact CG-CB 4.16Å; R275-W603 HydrophobicContact CB-CE3 4.4Å; R275-W603 HydrophobicContact CB-CH2 3.72Å; R275-W603 HydrophobicContact CB-CZ2 4.37Å; R275-W603 HydrophobicContact CB-CZ3 3.71Å; R275-W603 VanDerWaalsContact CD-O 3.27Å; R275-W603 WeakPolarHBondContact CD-O 3.3Å; R275-W603 HydrophobicContact CG-CH2 3.56Å; R275-W603 HydrophobicContact CG-CZ2 3.73Å; R275-W603 HydrophobicContact CG-CZ3 3.99Å; R275-W603 PolarHBondContact NE-O 2.58Å; R275-Q604 HydrophobicContact CB-CG 4.03Å; R275-Q604 PolarHBondContact NE-O 2.86Å; R275-Q604 VanDerWaalsContact O-CG 3.29Å; R275-Q604 WeakPolarHBondContact O-CG 3.38Å; R275-Q604 PolarHBondContact O-NE2 3.16Å
276	E	93.4	Very high	87.6	Confident	104 Å²	104	57.7 Å²	57.7	49%	0.486	29%	0.287	S	S	.	.			trans	-117.1	154.2	171.8	-63.2	-171.9	169.5	0	0	110.8	H493 P495	E276-H493 PolarHBondContact N-O 2.67Å; E276-P495 HydrophobicContact CB-CB 3.96Å; E276-P495 HydrophobicContact CB-CG 4.13Å
277	L	95.2	Very high	87.9	Confident	51 Å²	51	57.9 Å²	57.9	27%	0.267	29%	0.288	S	S	.	.			trans	-99.4	131.7	-179	-66.9	177	0	0	0	110.2	M280 P495 F529 A600 W603 Q604	L277-M280 HydrophobicContact CB-CE 4.32Å; L277-P495 WeakPolarHBondContact O-CB 3.19Å; L277-F529 HydrophobicContact CD2-CE2 3.8Å; L277-F529 HydrophobicContact CD2-CZ 3.49Å; L277-F529 VanDerWaalsContact CD2-CZ 3.49Å; L277-A600 HydrophobicContact CD2-CB 3.98Å; L277-W603 HydrophobicContact CD2-CE3 3.95Å; L277-W603 HydrophobicContact CD2-CZ3 3.98Å; L277-Q604 HydrophobicContact CD2-CB 4.33Å; L277-Q604 HydrophobicContact CG-CB 4.46Å; L277-Q604 HydrophobicContact CG-CG 4.47Å
278	P	95.6	Very high	88.3	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.032	28%	0.283	C	S	.	.			trans	-66.8	177	170	23.8	-28.5	0	0	0	112.2	M280 F497 F529	P278-M280 HydrophobicContact CB-CE 4.42Å; P278-M280 HydrophobicContact CG-CE 3.64Å; P278-M280 WeakPolarHBondContact O-CE 3.41Å; P278-M280 PolarHBondContact O-N 2.72Å; P278-F497 HydrophobicContact CB-CD2 3.7Å; P278-F497 HydrophobicContact CB-CE2 3.7Å; P278-F497 HydrophobicContact CG-CD2 3.79Å; P278-F497 HydrophobicContact CG-CE2 3.57Å; P278-F497 HydrophobicContact CG-CZ 4.37Å; P278-F529 HydrophobicContact CG-CB 3.79Å; P278-F529 HydrophobicContact CG-CD1 4.14Å; P278-F529 HydrophobicContact CG-CD2 3.7Å; P278-F529 HydrophobicContact CG-CE2 4.38Å; P278-F529 HydrophobicContact CG-CG 3.56Å
279	N	95.1	Very high	88.8	Confident	11 Å²	11	52.5 Å²	52.5	6%	0.059	26%	0.261	C	S	.	.			trans	-62	98.8	176	-176.7	-1.9	0	0	0	111.1	K281 T282 E440 D481 S482	N279-K281 PolarHBondContact ND2-NZ 3.06Å; N279-K281 PolarHBondContact O-N 3.03Å; N279-K281 VanDerWaalsContact OD1-CB 3.25Å; N279-K281 WeakPolarHBondContact OD1-CB 3.35Å; N279-K281 WeakPolarHBondContact OD1-CD 3.32Å; N279-K281 WeakPolarHBondContact OD1-CG 3.5Å; N279-K281 PolarHBondContact OD1-N 2.72Å; N279-T282 VanDerWaalsContact O-CB 3.26Å; N279-T282 WeakPolarHBondContact O-CB 3.2Å; N279-T282 PolarHBondContact O-N 3.32Å; N279-T282 PolarHBondContact O-OG1 3.41Å; N279-E440 PolarHBondContact ND2-OE1 2.96Å; N279-E440 VanDerWaalsContact ND2-OE1 3.12Å; N279-D481 HydrophobicContact CB-CB 4.32Å; N279-D481 PolarHBondContact N-O 2.84Å; N279-S482 WeakPolarHBondContact CB-OG 3.33Å; N279-S482 PolarHBondContact ND2-OG 2.82Å
280	M	95.8	Very high	89.4	Confident	33 Å²	33	49.4 Å²	49.4	16%	0.163	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-59.3	-18.9	-177.4	-65.8	-66.3	99.9	0	0	114.1	L277 P278 T282 L283 F529 A600	L277-M280 HydrophobicContact CB-CE 4.32Å; P278-M280 HydrophobicContact CB-CE 4.42Å; P278-M280 HydrophobicContact CG-CE 3.64Å; P278-M280 WeakPolarHBondContact O-CE 3.41Å; P278-M280 PolarHBondContact O-N 2.72Å; M280-T282 PolarHBondContact O-N 2.82Å; M280-T282 VanDerWaalsContact O-N 3.07Å; M280-L283 WeakPolarHBondContact O-CB 3.27Å; M280-L283 WeakPolarHBondContact O-CG 3.37Å; M280-L283 PolarHBondContact O-N 2.88Å; M280-L283 HydrophobicContact SD-CD1 3.75Å; M280-F529 HydrophobicContact CE-CD1 3.84Å; M280-F529 HydrophobicContact CE-CE1 3.64Å; M280-F529 HydrophobicContact CE-CG 4.5Å; M280-F529 HydrophobicContact CE-CZ 4.15Å; M280-F529 HydrophobicContact SD-CE1 4.12Å; M280-A600 HydrophobicContact SD-CB 4.31Å
281	K	94.1	Very high	89.5	Confident	107 Å²	107	48.8 Å²	48.8	47%	0.465	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55	-27.1	170.6	-59.8	174.1	-149	133.9	0	112.6	N279 L283 W284 L285 E440	N279-K281 PolarHBondContact ND2-NZ 3.06Å; N279-K281 PolarHBondContact O-N 3.03Å; N279-K281 VanDerWaalsContact OD1-CB 3.25Å; N279-K281 WeakPolarHBondContact OD1-CB 3.35Å; N279-K281 WeakPolarHBondContact OD1-CD 3.32Å; N279-K281 WeakPolarHBondContact OD1-CG 3.5Å; N279-K281 PolarHBondContact OD1-N 2.72Å; K281-L283 PolarHBondContact O-N 3.46Å; K281-W284 PolarHBondContact O-N 2.79Å; K281-L285 WeakPolarHBondContact O-CG 3.44Å; K281-E440 IonicContact NZ-OE1 2.82Å; K281-E440 PolarHBondContact NZ-OE1 2.85Å
282	T	94.9	Very high	90.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-57	-35.7	176.9	-49.7	0	0	0	0	111.8	N279 M280 W284 L285 F287 F497 V562	N279-T282 VanDerWaalsContact O-CB 3.26Å; N279-T282 WeakPolarHBondContact O-CB 3.2Å; N279-T282 PolarHBondContact O-N 3.32Å; N279-T282 PolarHBondContact O-OG1 3.41Å; M280-T282 PolarHBondContact O-N 2.82Å; M280-T282 VanDerWaalsContact O-N 3.07Å; T282-W284 VanDerWaalsContact C-N 3.33Å; T282-W284 PolarHBondContact O-N 2.96Å; T282-L285 PolarHBondContact O-N 3.4Å; T282-F287 HydrophobicContact CG2-CE2 3.77Å; T282-F287 HydrophobicContact CG2-CZ 3.87Å; T282-F497 HydrophobicContact CG2-CD1 4.32Å; T282-F497 HydrophobicContact CG2-CD2 4.01Å; T282-F497 HydrophobicContact CG2-CE1 4.13Å; T282-F497 HydrophobicContact CG2-CE2 3.8Å; T282-F497 HydrophobicContact CG2-CG 4.26Å; T282-F497 HydrophobicContact CG2-CZ 3.87Å; T282-V562 HydrophobicContact CG2-CG2 4.09Å
283	L	96.7	Very high	91.1	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.4	176.6	-54.7	175.9	0	0	0	111.7	M280 K281 L285 F497 P561 V562 H588 V593 L596 E597	M280-L283 WeakPolarHBondContact O-CB 3.27Å; M280-L283 WeakPolarHBondContact O-CG 3.37Å; M280-L283 PolarHBondContact O-N 2.88Å; M280-L283 HydrophobicContact SD-CD1 3.75Å; K281-L283 PolarHBondContact O-N 3.46Å; L283-L285 VanDerWaalsContact C-N 3.27Å; L283-L285 PolarHBondContact O-N 3.02Å; L283-F497 HydrophobicContact CD2-CE1 3.95Å; L283-F497 HydrophobicContact CD2-CZ 3.72Å; L283-F497 HydrophobicContact CG-CZ 4.26Å; L283-P561 HydrophobicContact CD2-CB 3.81Å; L283-P561 WeakPolarHBondContact CD2-O 3.42Å; L283-V562 HydrophobicContact CD2-CG2 4.49Å; L283-H588 PolarHBondContact O-NE2 2.94Å; L283-V593 HydrophobicContact CB-CG1 3.67Å; L283-V593 HydrophobicContact CB-CG2 4.1Å; L283-V593 HydrophobicContact CD1-CG1 4.31Å; L283-V593 WeakPolarHBondContact O-CG2 3.31Å; L283-L596 HydrophobicContact CD1-CB 4.19Å; L283-L596 HydrophobicContact CD2-CD1 4.41Å; L283-E597 HydrophobicContact CD1-CG 4.24Å
284	W	96.1	Very high	91.9	Very high	94 Å²	94	44 Å²	44	36%	0.356	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-11.4	-176.6	-68.6	87.6	0	0	0	114.3	K281 T282 Q589 V593 P594 E597	K281-W284 PolarHBondContact O-N 2.79Å; T282-W284 VanDerWaalsContact C-N 3.33Å; T282-W284 PolarHBondContact O-N 2.96Å; W284-Q589 HydrophobicContact CE3-CB 4.22Å; W284-Q589 HydrophobicContact CE3-CG 4.4Å; W284-Q589 WeakPolarHBondContact CH2-O 3.38Å; W284-Q589 HydrophobicContact CZ3-CB 4.27Å; W284-Q589 WeakPolarHBondContact CZ3-O 3.16Å; W284-Q589 PolarHBondContact O-NE2 3.12Å; W284-V593 HydrophobicContact CD2-CB 4.43Å; W284-V593 HydrophobicContact CD2-CG1 3.79Å; W284-V593 HydrophobicContact CE3-CG1 4.48Å; W284-V593 HydrophobicContact CG-CG1 4.01Å; W284-V593 HydrophobicContact CH2-CG1 4.47Å; W284-V593 HydrophobicContact CZ2-CB 4.39Å; W284-V593 HydrophobicContact CZ2-CG1 3.79Å; W284-P594 HydrophobicContact CH2-CG 4.23Å; W284-E597 PolarHBondContact NE1-OE1 3.33Å
285	L	95	Very high	92.1	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.141	22%	0.217	C	C	.	.	S	Bend	trans	-117.9	120.3	-164.9	-67.6	171.3	0	0	0	112.5	K281 T282 L283 F287 V320	K281-L285 WeakPolarHBondContact O-CG 3.44Å; T282-L285 PolarHBondContact O-N 3.4Å; L283-L285 VanDerWaalsContact C-N 3.27Å; L283-L285 PolarHBondContact O-N 3.02Å; L285-F287 VanDerWaalsContact O-CD2 3.28Å; L285-F287 WeakPolarHBondContact O-CD2 3.38Å; L285-F287 PolarHBondContact O-N 2.87Å; L285-V320 HydrophobicContact CB-CG2 4.1Å; L285-V320 HydrophobicContact CD1-CG2 3.98Å
286	P	96.1	Very high	91.9	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.019	23%	0.228	C	C	.	.			trans	-67.9	132.5	170.6	26.7	-33.5	0	0	0	111.6	W288 E318 G319 V320 L563 F565 I585	P286-W288 HydrophobicContact CB-CZ2 4.26Å; P286-W288 HydrophobicContact CG-CZ2 4.47Å; P286-W288 VanDerWaalsContact O-CD1 3.23Å; P286-W288 PolarHBondContact O-NE1 2.79Å; P286-E318 WeakPolarHBondContact CD-O 3.25Å; P286-G319 CarbonylContact O-C 3.57Å; P286-G319 VanDerWaalsContact O-CA 3.26Å; P286-G319 WeakPolarHBondContact O-CA 3.15Å; P286-V320 PolarHBondContact O-N 3.29Å; P286-L563 CarbonylContact C-O 3.58Å; P286-L563 VanDerWaalsContact CA-O 3.28Å; P286-L563 WeakPolarHBondContact CA-O 3.24Å; P286-L563 HydrophobicContact CB-CB 4.31Å; P286-F565 HydrophobicContact CB-CD2 4.38Å; P286-F565 HydrophobicContact CB-CE2 4.06Å; P286-I585 HydrophobicContact CG-CD1 4.46Å; P286-I585 HydrophobicContact CG-CG2 4.44Å
287	F	96.2	Very high	91.5	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.2	178.4	-83.8	-113.9	0	0	0	110.9	T282 L285 V320 S322 Y441 I484 I531 V562 L563 S564 F565	T282-F287 HydrophobicContact CG2-CE2 3.77Å; T282-F287 HydrophobicContact CG2-CZ 3.87Å; L285-F287 VanDerWaalsContact O-CD2 3.28Å; L285-F287 WeakPolarHBondContact O-CD2 3.38Å; L285-F287 PolarHBondContact O-N 2.87Å; F287-V320 CarbonylContact C-O 3.58Å; F287-V320 WeakPolarHBondContact CA-O 3.34Å; F287-V320 HydrophobicContact CD1-CB 3.98Å; F287-V320 HydrophobicContact CD1-CG1 4.05Å; F287-V320 HydrophobicContact CD2-CB 4.19Å; F287-V320 HydrophobicContact CD2-CG2 4.24Å; F287-V320 HydrophobicContact CE1-CB 3.91Å; F287-V320 HydrophobicContact CE1-CG1 3.76Å; F287-V320 HydrophobicContact CE1-CG2 4.17Å; F287-V320 HydrophobicContact CE2-CB 4.14Å; F287-V320 HydrophobicContact CE2-CG2 3.78Å; F287-V320 HydrophobicContact CG-CB 4.1Å; F287-V320 HydrophobicContact CZ-CB 3.99Å; F287-V320 HydrophobicContact CZ-CG1 4.16Å; F287-V320 HydrophobicContact CZ-CG2 3.73Å; F287-S322 WeakPolarHBondContact CD1-OG 3.35Å; F287-Y441 HydrophobicContact CZ-CD1 4.23Å; F287-I484 HydrophobicContact CE1-CD1 3.72Å; F287-I484 HydrophobicContact CZ-CD1 4.07Å; F287-I531 HydrophobicContact CD1-CD1 4.39Å; F287-I531 HydrophobicContact CE1-CD1 4.22Å; F287-I531 HydrophobicContact CZ-CD1 4.34Å; F287-V562 HydrophobicContact CD2-CG1 3.43Å; F287-V562 VanDerWaalsContact CD2-CG1 3.43Å; F287-V562 HydrophobicContact CE2-CG1 3.94Å; F287-V562 HydrophobicContact CG-CG1 4.22Å; F287-L563 PolarHBondContact N-O 3.21Å; F287-S564 CarbonylContact O-C 3.57Å; F287-S564 WeakPolarHBondContact O-CA 3.47Å; F287-F565 PolarHBondContact O-N 3.18Å
288	W	95.6	Very high	91.2	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	106.1	-176	-58.4	88.5	0	0	0	110.5	P286 F290 F307 L311 L316 V320 S322 F565 I585	P286-W288 HydrophobicContact CB-CZ2 4.26Å; P286-W288 HydrophobicContact CG-CZ2 4.47Å; P286-W288 VanDerWaalsContact O-CD1 3.23Å; P286-W288 PolarHBondContact O-NE1 2.79Å; W288-F290 PolarHBondContact O-N 3.18Å; W288-F307 HydrophobicContact CB-CE1 3.79Å; W288-F307 HydrophobicContact CB-CZ 4.06Å; W288-L311 HydrophobicContact CD2-CD2 3.53Å; W288-L311 VanDerWaalsContact CE2-CD2 3.49Å; W288-L311 HydrophobicContact CE3-CD2 3.87Å; W288-L311 HydrophobicContact CG-CD1 4.3Å; W288-L311 HydrophobicContact CG-CD2 4.02Å; W288-L311 HydrophobicContact CH2-CD2 4.19Å; W288-L311 HydrophobicContact CZ2-CD2 3.84Å; W288-L311 HydrophobicContact CZ3-CD2 4.2Å; W288-L316 HydrophobicContact CH2-CB 4.25Å; W288-L316 HydrophobicContact CH2-CD1 3.96Å; W288-L316 HydrophobicContact CH2-CD2 4.24Å; W288-L316 HydrophobicContact CH2-CG 4.39Å; W288-L316 HydrophobicContact CZ2-CB 3.98Å; W288-L316 HydrophobicContact CZ2-CD1 4.47Å; W288-L316 HydrophobicContact CZ3-CD1 4.49Å; W288-V320 PolarHBondContact N-O 3.03Å; W288-S322 PolarHBondContact O-N 3.37Å; W288-F565 HydrophobicContact CD2-CB 4.16Å; W288-F565 HydrophobicContact CD2-CD2 4.07Å; W288-F565 HydrophobicContact CD2-CG 4.38Å; W288-F565 AromaticContact CE2-CD2 3.99Å; W288-F565 HydrophobicContact CE3-CB 3.46Å; W288-F565 VanDerWaalsContact CE3-CB 3.46Å; W288-F565 AromaticContact CE3-CD2 3.9Å; W288-F565 HydrophobicContact CE3-CD2 3.9Å; W288-F565 AromaticContact CE3-CG 3.78Å; W288-F565 HydrophobicContact CE3-CG 3.78Å; W288-F565 HydrophobicContact CH2-CB 4.42Å; W288-F565 HydrophobicContact CH2-CD1 4.23Å; W288-F565 AromaticContact CH2-CD2 3.59Å; W288-F565 HydrophobicContact CH2-CD2 3.59Å; W288-F565 HydrophobicContact CH2-CE1 4.42Å; W288-F565 AromaticContact CH2-CE2 3.81Å; W288-F565 HydrophobicContact CH2-CE2 3.81Å; W288-F565 AromaticContact CH2-CG 3.82Å; W288-F565 HydrophobicContact CH2-CG 3.82Å; W288-F565 HydrophobicContact CH2-CZ 4.23Å; W288-F565 AromaticContact CZ2-CD2 3.78Å; W288-F565 HydrophobicContact CZ2-CD2 3.78Å; W288-F565 AromaticContact CZ2-CE2 3.93Å; W288-F565 HydrophobicContact CZ2-CE2 3.93Å; W288-F565 HydrophobicContact CZ2-CG 4.43Å; W288-F565 HydrophobicContact CZ3-CB 3.6Å; W288-F565 AromaticContact CZ3-CD1 3.96Å; W288-F565 HydrophobicContact CZ3-CD1 3.96Å; W288-F565 AromaticContact CZ3-CD2 3.66Å; W288-F565 HydrophobicContact CZ3-CD2 3.66Å; W288-F565 HydrophobicContact CZ3-CE2 4.32Å; W288-F565 AromaticContact CZ3-CG 3.45Å; W288-F565 HydrophobicContact CZ3-CG 3.45Å; W288-F565 VanDerWaalsContact CZ3-CG 3.45Å; W288-I585 HydrophobicContact CH2-CD1 4.39Å; W288-I585 HydrophobicContact CZ2-CD1 4.02Å
289	K	92.9	Very high	90.9	Very high	35 Å²	35	46.4 Å²	46.4	15%	0.152	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	118.9	178.4	-63.8	177.9	-176.9	169.3	0	109.7	L291 D533 A534 S538 F565 H566	K289-L291 PolarHBondContact O-N 3.3Å; K289-D533 IonicContact NZ-OD1 2.73Å; K289-D533 PolarHBondContact NZ-OD1 2.99Å; K289-A534 HydrophobicContact CD-CB 4.28Å; K289-S538 PolarHBondContact NZ-OG 2.87Å; K289-F565 WeakPolarHBondContact CB-O 3.29Å; K289-F565 PolarHBondContact N-O 3.3Å; K289-H566 HydrophobicContact CD-CB 4.02Å
290	F	90.8	Very high	90.6	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	96	-179	-178.2	-108.3	0	0	0	111.2	W288 I292 V300 E303 L304 F307 I321 S322 L323	W288-F290 PolarHBondContact O-N 3.18Å; F290-I292 HydrophobicContact CD1-CG2 4.17Å; F290-I292 HydrophobicContact CE1-CB 3.89Å; F290-I292 HydrophobicContact CE1-CG2 3.39Å; F290-I292 HydrophobicContact CZ-CB 3.97Å; F290-I292 HydrophobicContact CZ-CG2 3.88Å; F290-V300 HydrophobicContact CE1-CG1 4.12Å; F290-E303 HydrophobicContact CE2-CB 4.44Å; F290-E303 HydrophobicContact CZ-CB 3.92Å; F290-L304 HydrophobicContact CB-CD2 4.39Å; F290-L304 HydrophobicContact CD1-CD2 3.66Å; F290-L304 HydrophobicContact CD1-CG 4.26Å; F290-L304 HydrophobicContact CD2-CD2 3.64Å; F290-L304 HydrophobicContact CE1-CD2 3.7Å; F290-L304 HydrophobicContact CE1-CG 3.81Å; F290-L304 HydrophobicContact CE2-CD2 3.7Å; F290-L304 HydrophobicContact CE2-CG 4.13Å; F290-L304 HydrophobicContact CG-CD2 3.62Å; F290-L304 HydrophobicContact CZ-CB 4.48Å; F290-L304 HydrophobicContact CZ-CD2 3.72Å; F290-L304 HydrophobicContact CZ-CG 3.74Å; F290-F307 HydrophobicContact CD2-CB 4.16Å; F290-F307 HydrophobicContact CD2-CD1 4.22Å; F290-F307 HydrophobicContact CD2-CD2 4.32Å; F290-F307 HydrophobicContact CD2-CG 4Å; F290-F307 HydrophobicContact CE2-CB 3.94Å; F290-F307 HydrophobicContact CE2-CG 4.26Å; F290-I321 HydrophobicContact CB-CG2 3.82Å; F290-I321 HydrophobicContact CD2-CG2 4.39Å; F290-I321 HydrophobicContact CG-CG2 4.3Å; F290-S322 WeakPolarHBondContact CB-O 3.47Å; F290-S322 PolarHBondContact N-O 3.24Å; F290-L323 HydrophobicContact CB-CD2 4.16Å; F290-L323 HydrophobicContact CD1-CD2 3.88Å; F290-L323 HydrophobicContact CG-CD2 4.25Å
291	L	78.9	Confident	90.3	Very high	82 Å²	82	45.4 Å²	45.4	43%	0.429	23%	0.23	S	C	.	.			trans	-91.5	104.2	-179.9	-54.8	173	0	0	0	110.3	K289 L543 H566	K289-L291 PolarHBondContact O-N 3.3Å; L291-L543 HydrophobicContact CD1-CD2 4.12Å; L291-H566 WeakPolarHBondContact CD1-CE1 3.3Å
292	I	82.3	Confident	90	Very high	55 Å²	55	46.2 Å²	46.2	28%	0.282	23%	0.234	S	C	.	.			trans	-140.4	141.6	169.5	-150.6	78.4	0	0	0	109.9	F290 V294 E303	F290-I292 HydrophobicContact CD1-CG2 4.17Å; F290-I292 HydrophobicContact CE1-CB 3.89Å; F290-I292 HydrophobicContact CE1-CG2 3.39Å; F290-I292 HydrophobicContact CZ-CB 3.97Å; F290-I292 HydrophobicContact CZ-CG2 3.88Å; I292-V294 HydrophobicContact CG1-CG1 3.8Å; I292-V294 HydrophobicContact CG2-CG1 4.4Å; I292-V294 HydrophobicContact CG2-CG2 3.96Å; I292-E303 HydrophobicContact CD1-CB 4.14Å; I292-E303 HydrophobicContact CD1-CG 4.13Å; I292-E303 HydrophobicContact CG1-CB 4.31Å; I292-E303 HydrophobicContact CG1-CG 4.34Å
293	N	81.8	Confident	89.9	Confident	151 Å²	151	48.4 Å²	48.4	81%	0.807	24%	0.244	S	C	*	.			trans	-108.2	100.3	169.1	-170.6	5.3	0	0	0	108.5
294	V	87.8	Confident	89.6	Confident	17 Å²	17	48.4 Å²	48.4	10%	0.103	24%	0.244	C	C	.	.			trans	-141.6	159.7	177.1	-58.8	0	0	0	0	110.1	I292 K299 V300 H326 L330	I292-V294 HydrophobicContact CG1-CG1 3.8Å; I292-V294 HydrophobicContact CG2-CG1 4.4Å; I292-V294 HydrophobicContact CG2-CG2 3.96Å; V294-K299 HydrophobicContact CB-CB 3.85Å; V294-K299 HydrophobicContact CB-CD 3.93Å; V294-K299 HydrophobicContact CG1-CB 3.99Å; V294-K299 HydrophobicContact CG1-CD 4.27Å; V294-K299 HydrophobicContact CG2-CB 3.94Å; V294-V300 HydrophobicContact CG2-CB 4.47Å; V294-V300 HydrophobicContact CG2-CG2 3.43Å; V294-V300 VanDerWaalsContact CG2-CG2 3.43Å; V294-H326 PolarHBondContact O-NE2 2.77Å; V294-L330 HydrophobicContact CG2-CD1 4.5Å; V294-L330 WeakPolarHBondContact O-CD1 3.35Å
295	D	87.7	Confident	89.3	Confident	107 Å²	107	49.3 Å²	49.3	57%	0.572	25%	0.247	S	C	*	.	S	Bend	trans	-112.5	2.4	-169	10.6	-113.2	0	0	0	113.4	K299	D295-K299 IonicContact OD2-NZ 2.92Å; D295-K299 PolarHBondContact OD2-NZ 2.95Å
296	T	88.1	Confident	89.1	Confident	62 Å²	62	50.2 Å²	50.2	38%	0.38	25%	0.254	S	S	.	.	S	Bend	trans	-145.6	140.3	175.3	68.6	0	0	0	0	113.2	K299 V300	T296-K299 VanDerWaalsContact O-CB 3.32Å; T296-K299 WeakPolarHBondContact O-CB 3.42Å; T296-K299 PolarHBondContact O-N 3.48Å; T296-K299 WeakPolarHBondContact OG1-CG 3.43Å; T296-V300 PolarHBondContact O-N 3.29Å
297	G	86	Confident	89	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-51.1	-41.9	178.2	0	0	0	0	0	115.9	K299 V300 E301 L330 M334	G297-K299 PolarHBondContact O-N 3.19Å; G297-K299 VanDerWaalsContact O-N 3.14Å; G297-V300 CarbonylContact O-C 3.59Å; G297-V300 WeakPolarHBondContact O-CA 3.43Å; G297-V300 VanDerWaalsContact O-CB 3.29Å; G297-V300 WeakPolarHBondContact O-CB 3.34Å; G297-V300 PolarHBondContact O-N 3.08Å; G297-E301 PolarHBondContact O-N 2.91Å; G297-L330 WeakPolarHBondContact CA-O 3.29Å; G297-L330 PolarHBondContact N-O 3.04Å; G297-M334 VanDerWaalsContact CA-SD 3.58Å
298	P	87.4	Confident	88.8	Confident	82 Å²	82	51.5 Å²	51.5	53%	0.532	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-20.8	175.4	-26.3	35.7	0	0	0	114.6	K302 M334	P298-K302 WeakPolarHBondContact O-CB 3.21Å; P298-K302 PolarHBondContact O-N 3.12Å; P298-M334 HydrophobicContact CG-CE 4.15Å
299	K	89.4	Confident	88.6	Confident	90 Å²	90	55.1 Å²	55.1	39%	0.391	28%	0.28	S	S	.	.	H	α-helix	trans	-76.6	-41.4	167.5	-63.4	172.2	-179.1	-175.4	0	110.8	V294 D295 T296 G297 K302 E303	V294-K299 HydrophobicContact CB-CB 3.85Å; V294-K299 HydrophobicContact CB-CD 3.93Å; V294-K299 HydrophobicContact CG1-CB 3.99Å; V294-K299 HydrophobicContact CG1-CD 4.27Å; V294-K299 HydrophobicContact CG2-CB 3.94Å; D295-K299 IonicContact OD2-NZ 2.92Å; D295-K299 PolarHBondContact OD2-NZ 2.95Å; T296-K299 VanDerWaalsContact O-CB 3.32Å; T296-K299 WeakPolarHBondContact O-CB 3.42Å; T296-K299 PolarHBondContact O-N 3.48Å; T296-K299 WeakPolarHBondContact OG1-CG 3.43Å; G297-K299 PolarHBondContact O-N 3.19Å; G297-K299 VanDerWaalsContact O-N 3.14Å; K299-K302 PolarHBondContact O-N 3.23Å; K299-E303 PolarHBondContact O-N 3.15Å
300	V	90.3	Very high	88.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-53	175.8	-174	0	0	0	0	110.5	F290 V294 T296 G297 K302 E303 L304 L330 L331	F290-V300 HydrophobicContact CE1-CG1 4.12Å; V294-V300 HydrophobicContact CG2-CB 4.47Å; V294-V300 HydrophobicContact CG2-CG2 3.43Å; V294-V300 VanDerWaalsContact CG2-CG2 3.43Å; T296-V300 PolarHBondContact O-N 3.29Å; G297-V300 CarbonylContact O-C 3.59Å; G297-V300 WeakPolarHBondContact O-CA 3.43Å; G297-V300 VanDerWaalsContact O-CB 3.29Å; G297-V300 WeakPolarHBondContact O-CB 3.34Å; G297-V300 PolarHBondContact O-N 3.08Å; V300-K302 VanDerWaalsContact C-N 3.29Å; V300-K302 PolarHBondContact O-N 3.44Å; V300-E303 PolarHBondContact O-N 2.78Å; V300-L304 HydrophobicContact CG1-CD1 3.87Å; V300-L304 HydrophobicContact CG1-CG 4.32Å; V300-L304 WeakPolarHBondContact O-CB 3.35Å; V300-L304 WeakPolarHBondContact O-CG 3.41Å; V300-L304 PolarHBondContact O-N 2.91Å; V300-L330 HydrophobicContact CG2-CB 4.22Å; V300-L330 HydrophobicContact CG2-CD1 4.25Å; V300-L331 HydrophobicContact CB-CD2 3.86Å; V300-L331 HydrophobicContact CB-CG 4.22Å; V300-L331 HydrophobicContact CG1-CD1 3.97Å; V300-L331 HydrophobicContact CG1-CD2 3.87Å; V300-L331 HydrophobicContact CG1-CG 3.85Å
301	E	88.3	Confident	88.7	Confident	22 Å²	22	59.6 Å²	59.6	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-38	179.3	-161.5	-135.9	127.4	0	0	112.3	G297 R305 L356 V357	G297-E301 PolarHBondContact O-N 2.91Å; E301-R305 WeakPolarHBondContact O-CB 3.49Å; E301-R305 PolarHBondContact O-N 3.38Å; E301-R305 IonicContact OE1-CZ 2.66Å; E301-R305 IonicContact OE1-NE 2.69Å; E301-R305 IonicContact OE1-NH2 3.03Å; E301-R305 PolarHBondContact OE1-NH2 3.38Å; E301-L356 HydrophobicContact CG-CB 4.22Å; E301-L356 HydrophobicContact CG-CD2 4.46Å; E301-L356 WeakPolarHBondContact OE1-CB 3.31Å; E301-V357 HydrophobicContact CG-CG2 4.2Å
302	K	88.9	Confident	89.4	Confident	124 Å²	124	63.2 Å²	63.2	54%	0.539	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-46.8	176.2	176.3	177.8	170.4	-78.5	0	111.8	P298 K299 V300 R305 T306	P298-K302 WeakPolarHBondContact O-CB 3.21Å; P298-K302 PolarHBondContact O-N 3.12Å; K299-K302 PolarHBondContact O-N 3.23Å; V300-K302 VanDerWaalsContact C-N 3.29Å; V300-K302 PolarHBondContact O-N 3.44Å; K302-R305 VanDerWaalsContact O-CB 3.28Å; K302-R305 WeakPolarHBondContact O-CB 3.43Å; K302-R305 PolarHBondContact O-N 3.31Å; K302-T306 PolarHBondContact O-N 2.97Å; K302-T306 VanDerWaalsContact O-N 3.08Å; K302-T306 PolarHBondContact O-OG1 3.04Å
303	E	91.9	Very high	89.9	Confident	48 Å²	48	70.4 Å²	70.4	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-78.1	-27.4	-178.9	-61.1	-43.3	142.8	0	0	113.5	F290 I292 K299 V300 R305 T306 F307	F290-E303 HydrophobicContact CE2-CB 4.44Å; F290-E303 HydrophobicContact CZ-CB 3.92Å; I292-E303 HydrophobicContact CD1-CB 4.14Å; I292-E303 HydrophobicContact CD1-CG 4.13Å; I292-E303 HydrophobicContact CG1-CB 4.31Å; I292-E303 HydrophobicContact CG1-CG 4.34Å; K299-E303 PolarHBondContact O-N 3.15Å; V300-E303 PolarHBondContact O-N 2.78Å; E303-R305 VanDerWaalsContact C-N 3.29Å; E303-R305 PolarHBondContact O-N 3.37Å; E303-T306 WeakPolarHBondContact O-CB 3.49Å; E303-T306 PolarHBondContact O-N 2.86Å; E303-T306 VanDerWaalsContact O-N 3.14Å; E303-T306 WeakPolarHBondContact OE2-CB 3.2Å; E303-T306 PolarHBondContact OE2-OG1 3.35Å; E303-F307 WeakPolarHBondContact O-CB 3.43Å; E303-F307 PolarHBondContact O-N 2.78Å
304	L	90.8	Very high	90.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-40.9	165.3	-74.5	171.2	0	0	0	111.4	F290 V300 F307 S308 I321 L323 L331 L360	F290-L304 HydrophobicContact CB-CD2 4.39Å; F290-L304 HydrophobicContact CD1-CD2 3.66Å; F290-L304 HydrophobicContact CD1-CG 4.26Å; F290-L304 HydrophobicContact CD2-CD2 3.64Å; F290-L304 HydrophobicContact CE1-CD2 3.7Å; F290-L304 HydrophobicContact CE1-CG 3.81Å; F290-L304 HydrophobicContact CE2-CD2 3.7Å; F290-L304 HydrophobicContact CE2-CG 4.13Å; F290-L304 HydrophobicContact CG-CD2 3.62Å; F290-L304 HydrophobicContact CZ-CB 4.48Å; F290-L304 HydrophobicContact CZ-CD2 3.72Å; F290-L304 HydrophobicContact CZ-CG 3.74Å; V300-L304 HydrophobicContact CG1-CD1 3.87Å; V300-L304 HydrophobicContact CG1-CG 4.32Å; V300-L304 WeakPolarHBondContact O-CB 3.35Å; V300-L304 WeakPolarHBondContact O-CG 3.41Å; V300-L304 PolarHBondContact O-N 2.91Å; L304-F307 PolarHBondContact O-N 2.9Å; L304-S308 WeakPolarHBondContact O-CB 3.21Å; L304-S308 PolarHBondContact O-N 2.81Å; L304-I321 HydrophobicContact CD2-CG2 3.71Å; L304-L323 HydrophobicContact CD1-CD2 3.93Å; L304-L323 HydrophobicContact CD2-CD2 3.52Å; L304-L323 HydrophobicContact CG-CD2 4.29Å; L304-L331 HydrophobicContact CD1-CD1 4.18Å; L304-L360 HydrophobicContact CB-CD1 4.35Å
305	R	89.5	Confident	90.7	Very high	113 Å²	113	71.6 Å²	71.6	43%	0.426	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-42.9	171.8	-157.6	179.7	-68.4	-114.2	2.7	111.8	E301 K302 E303 N309 L356	E301-R305 WeakPolarHBondContact O-CB 3.49Å; E301-R305 PolarHBondContact O-N 3.38Å; E301-R305 IonicContact OE1-CZ 2.66Å; E301-R305 IonicContact OE1-NE 2.69Å; E301-R305 IonicContact OE1-NH2 3.03Å; E301-R305 PolarHBondContact OE1-NH2 3.38Å; K302-R305 VanDerWaalsContact O-CB 3.28Å; K302-R305 WeakPolarHBondContact O-CB 3.43Å; K302-R305 PolarHBondContact O-N 3.31Å; E303-R305 VanDerWaalsContact C-N 3.29Å; E303-R305 PolarHBondContact O-N 3.37Å; R305-N309 VanDerWaalsContact O-CB 3.27Å; R305-N309 WeakPolarHBondContact O-CB 3.46Å; R305-N309 PolarHBondContact O-N 2.83Å; R305-N309 VanDerWaalsContact O-N 3.12Å; R305-N309 PolarHBondContact O-ND2 3.13Å; R305-N309 VanDerWaalsContact O-ND2 3.14Å; R305-L356 HydrophobicContact CB-CD2 3.45Å; R305-L356 VanDerWaalsContact CB-CD2 3.45Å; R305-L356 HydrophobicContact CG-CD1 4.4Å; R305-L356 HydrophobicContact CG-CD2 3.62Å
306	T	91.6	Very high	90.9	Very high	47 Å²	47	66.6 Å²	66.6	29%	0.288	30%	0.301	S	S	.	.	H	α-helix	trans	-60.1	-46	174.7	-53.6	0	0	0	0	111.4	K302 E303 N309 R310	K302-T306 PolarHBondContact O-N 2.97Å; K302-T306 VanDerWaalsContact O-N 3.08Å; K302-T306 PolarHBondContact O-OG1 3.04Å; E303-T306 WeakPolarHBondContact O-CB 3.49Å; E303-T306 PolarHBondContact O-N 2.86Å; E303-T306 VanDerWaalsContact O-N 3.14Å; E303-T306 WeakPolarHBondContact OE2-CB 3.2Å; E303-T306 PolarHBondContact OE2-OG1 3.35Å; T306-N309 PolarHBondContact O-N 2.91Å; T306-R310 WeakPolarHBondContact O-CG 3.47Å; T306-R310 PolarHBondContact O-N 2.89Å; T306-R310 VanDerWaalsContact O-N 3.14Å
307	F	92.7	Very high	90.5	Very high	25 Å²	25	65.8 Å²	65.8	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-69.6	-49.5	-175.6	-168.6	-98.8	0	0	0	112.4	W288 F290 E303 L304 N309 R310 L311 I321 P568 W570	W288-F307 HydrophobicContact CB-CE1 3.79Å; W288-F307 HydrophobicContact CB-CZ 4.06Å; F290-F307 HydrophobicContact CD2-CB 4.16Å; F290-F307 HydrophobicContact CD2-CD1 4.22Å; F290-F307 HydrophobicContact CD2-CD2 4.32Å; F290-F307 HydrophobicContact CD2-CG 4Å; F290-F307 HydrophobicContact CE2-CB 3.94Å; F290-F307 HydrophobicContact CE2-CG 4.26Å; E303-F307 WeakPolarHBondContact O-CB 3.43Å; E303-F307 PolarHBondContact O-N 2.78Å; L304-F307 PolarHBondContact O-N 2.9Å; F307-N309 VanDerWaalsContact C-N 3.25Å; F307-N309 PolarHBondContact O-N 2.84Å; F307-R310 WeakPolarHBondContact O-CA 3.24Å; F307-R310 WeakPolarHBondContact O-CB 3.44Å; F307-R310 PolarHBondContact O-N 3.02Å; F307-L311 HydrophobicContact CD1-CD1 3.86Å; F307-L311 HydrophobicContact CD1-CG 4.47Å; F307-L311 HydrophobicContact CE1-CD1 3.75Å; F307-L311 HydrophobicContact CE1-CG 4.33Å; F307-L311 PolarHBondContact O-N 3.49Å; F307-I321 HydrophobicContact CD1-CD1 4.16Å; F307-I321 HydrophobicContact CD1-CG1 4.31Å; F307-I321 HydrophobicContact CD1-CG2 4.16Å; F307-I321 HydrophobicContact CE1-CG1 4.37Å; F307-I321 HydrophobicContact CE1-CG2 4.26Å; F307-P568 HydrophobicContact CE2-CG 4.12Å; F307-W570 HydrophobicContact CD2-CH2 4.23Å; F307-W570 HydrophobicContact CD2-CZ2 4.01Å; F307-W570 AromaticContact CE2-CH2 3.87Å; F307-W570 HydrophobicContact CE2-CH2 3.87Å; F307-W570 AromaticContact CE2-CZ2 3.74Å; F307-W570 HydrophobicContact CE2-CZ2 3.74Å; F307-W570 HydrophobicContact CZ-CH2 4.16Å; F307-W570 HydrophobicContact CZ-CZ2 4.45Å
308	S	91.9	Very high	90.4	Very high	9 Å²	9	73.6 Å²	73.6	6%	0.063	34%	0.341	C	S	.	.	H	α-helix	trans	-56.7	-37.5	172.4	171.8	0	0	0	0	112.5	L304 R310 R312 L360	L304-S308 WeakPolarHBondContact O-CB 3.21Å; L304-S308 PolarHBondContact O-N 2.81Å; S308-R310 VanDerWaalsContact C-N 3.32Å; S308-R310 PolarHBondContact O-N 2.87Å; S308-R312 WeakPolarHBondContact O-CG 3.48Å; S308-R312 PolarHBondContact O-N 3.35Å; S308-R312 VanDerWaalsContact O-N 3.14Å; S308-R312 PolarHBondContact O-NE 3.04Å; S308-L360 WeakPolarHBondContact OG-CD2 3.38Å
309	N	91.6	Very high	90.5	Very high	79 Å²	79	70.4 Å²	70.4	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-68.7	-28.9	175.1	-72.9	-15.3	0	0	0	113	R305 T306 F307 R312 R313	R305-N309 VanDerWaalsContact O-CB 3.27Å; R305-N309 WeakPolarHBondContact O-CB 3.46Å; R305-N309 PolarHBondContact O-N 2.83Å; R305-N309 VanDerWaalsContact O-N 3.12Å; R305-N309 PolarHBondContact O-ND2 3.13Å; R305-N309 VanDerWaalsContact O-ND2 3.14Å; T306-N309 PolarHBondContact O-N 2.91Å; F307-N309 VanDerWaalsContact C-N 3.25Å; F307-N309 PolarHBondContact O-N 2.84Å; N309-R312 PolarHBondContact OD1-NH2 2.93Å; N309-R313 WeakPolarHBondContact O-CB 3.34Å; N309-R313 PolarHBondContact O-N 3.3Å; N309-R313 VanDerWaalsContact O-N 3.08Å
310	R	93.1	Very high	90.7	Very high	122 Å²	122	66.1 Å²	66.1	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-72.8	-49.8	173	-71.6	179.8	-174.1	-167.6	3.3	111.4	T306 F307 S308 R312 R313 H314 W570	T306-R310 WeakPolarHBondContact O-CG 3.47Å; T306-R310 PolarHBondContact O-N 2.89Å; T306-R310 VanDerWaalsContact O-N 3.14Å; F307-R310 WeakPolarHBondContact O-CA 3.24Å; F307-R310 WeakPolarHBondContact O-CB 3.44Å; F307-R310 PolarHBondContact O-N 3.02Å; S308-R310 VanDerWaalsContact C-N 3.32Å; S308-R310 PolarHBondContact O-N 2.87Å; R310-R312 VanDerWaalsContact C-N 3.3Å; R310-R312 PolarHBondContact O-N 3.36Å; R310-R313 PolarHBondContact O-N 2.89Å; R310-R313 VanDerWaalsContact O-N 3.08Å; R310-H314 WeakPolarHBondContact O-CB 3.26Å; R310-H314 PolarHBondContact O-CD2 2.8Å; R310-H314 PolarHBondContact O-N 2.74Å; R310-W570 HydrophobicContact CB-CD2 4.5Å; R310-W570 HydrophobicContact CB-CE3 4.41Å; R310-W570 HydrophobicContact CB-CH2 3.94Å; R310-W570 HydrophobicContact CB-CZ2 4.02Å; R310-W570 HydrophobicContact CB-CZ3 4.14Å
311	L	93.6	Very high	90.9	Very high	13 Å²	13	66.3 Å²	66.3	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-49.3	-51.8	175.9	-73.5	166.6	0	0	0	111.4	W288 F307 H314 Q315 L316 I321 W570	W288-L311 HydrophobicContact CD2-CD2 3.53Å; W288-L311 VanDerWaalsContact CE2-CD2 3.49Å; W288-L311 HydrophobicContact CE3-CD2 3.87Å; W288-L311 HydrophobicContact CG-CD1 4.3Å; W288-L311 HydrophobicContact CG-CD2 4.02Å; W288-L311 HydrophobicContact CH2-CD2 4.19Å; W288-L311 HydrophobicContact CZ2-CD2 3.84Å; W288-L311 HydrophobicContact CZ3-CD2 4.2Å; F307-L311 HydrophobicContact CD1-CD1 3.86Å; F307-L311 HydrophobicContact CD1-CG 4.47Å; F307-L311 HydrophobicContact CE1-CD1 3.75Å; F307-L311 HydrophobicContact CE1-CG 4.33Å; F307-L311 PolarHBondContact O-N 3.49Å; L311-H314 PolarHBondContact O-N 2.91Å; L311-Q315 PolarHBondContact O-N 2.86Å; L311-Q315 VanDerWaalsContact O-N 3.12Å; L311-L316 HydrophobicContact CD2-CB 4.15Å; L311-L316 HydrophobicContact CD2-CD1 4.15Å; L311-L316 PolarHBondContact O-N 2.95Å; L311-I321 HydrophobicContact CD1-CD1 4.08Å; L311-I321 HydrophobicContact CD1-CG1 4.08Å; L311-W570 HydrophobicContact CD2-CH2 4.11Å; L311-W570 HydrophobicContact CD2-CZ3 3.89Å; L311-W570 HydrophobicContact CG-CH2 4.16Å; L311-W570 HydrophobicContact CG-CZ3 4.22Å
312	R	92.2	Very high	91.2	Very high	158 Å²	158	66.2 Å²	66.2	60%	0.596	31%	0.307	S	S	*	.	H	α-helix	trans	-65.9	-39.2	178.2	-67.4	-174.3	-67.1	-175.2	1	113.5	S308 N309 R310 H314 Q315	S308-R312 WeakPolarHBondContact O-CG 3.48Å; S308-R312 PolarHBondContact O-N 3.35Å; S308-R312 VanDerWaalsContact O-N 3.14Å; S308-R312 PolarHBondContact O-NE 3.04Å; N309-R312 PolarHBondContact OD1-NH2 2.93Å; R310-R312 VanDerWaalsContact C-N 3.3Å; R310-R312 PolarHBondContact O-N 3.36Å; R312-H314 VanDerWaalsContact C-N 3.3Å; R312-H314 PolarHBondContact O-N 2.85Å; R312-Q315 PolarHBondContact O-N 3.44Å
313	R	93.4	Very high	91.4	Very high	207 Å²	207	60.4 Å²	60.4	78%	0.781	28%	0.281	S	S	*	.	H	α-helix	trans	-63.4	-35.8	175.8	177.1	176.2	177.5	167	-0.4	112.4	N309 R310	N309-R313 WeakPolarHBondContact O-CB 3.34Å; N309-R313 PolarHBondContact O-N 3.3Å; N309-R313 VanDerWaalsContact O-N 3.08Å; R310-R313 PolarHBondContact O-N 2.89Å; R310-R313 VanDerWaalsContact O-N 3.08Å
314	H	93.6	Very high	91.4	Very high	47 Å²	47	60.8 Å²	60.8	22%	0.218	29%	0.285	C	S	.	.	H	α-helix	trans	-90	-1.4	-177.7	-71.9	-69.5	0	0	0	114	R310 L311 R312 L316 W570 L578 R582	R310-H314 WeakPolarHBondContact O-CB 3.26Å; R310-H314 PolarHBondContact O-CD2 2.8Å; R310-H314 PolarHBondContact O-N 2.74Å; L311-H314 PolarHBondContact O-N 2.91Å; R312-H314 VanDerWaalsContact C-N 3.3Å; R312-H314 PolarHBondContact O-N 2.85Å; H314-L316 HydrophobicContact CB-CD1 3.93Å; H314-L316 HydrophobicContact CB-CG 4.16Å; H314-W570 AromaticContact CD2-CE3 3.72Å; H314-L578 HydrophobicContact CB-CD1 3.99Å; H314-L578 HydrophobicContact CB-CD2 4.03Å; H314-L578 VanDerWaalsContact ND1-CD2 3.26Å; H314-L578 WeakPolarHBondContact ND1-CD2 3.44Å; H314-R582 PolarHBondContact O-NH1 3.48Å
315	Q	93.4	Very high	91.3	Very high	146 Å²	146	62.5 Å²	62.5	68%	0.682	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	39.9	178	-55.3	174.4	-2.1	0	0	113.4	L311 R312 G317 R582	L311-Q315 PolarHBondContact O-N 2.86Å; L311-Q315 VanDerWaalsContact O-N 3.12Å; R312-Q315 PolarHBondContact O-N 3.44Å; Q315-G317 PolarHBondContact O-N 2.95Å; Q315-R582 WeakPolarHBondContact O-CD 3.37Å
316	L	91.1	Very high	91.4	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	29%	0.287	C	S	.	.			trans	-88.5	35.4	-178.4	-68.6	164.6	0	0	0	113.4	W288 L311 H314 P569 W570 L578 T581 R582 I585	W288-L316 HydrophobicContact CH2-CB 4.25Å; W288-L316 HydrophobicContact CH2-CD1 3.96Å; W288-L316 HydrophobicContact CH2-CD2 4.24Å; W288-L316 HydrophobicContact CH2-CG 4.39Å; W288-L316 HydrophobicContact CZ2-CB 3.98Å; W288-L316 HydrophobicContact CZ2-CD1 4.47Å; W288-L316 HydrophobicContact CZ3-CD1 4.49Å; L311-L316 HydrophobicContact CD2-CB 4.15Å; L311-L316 HydrophobicContact CD2-CD1 4.15Å; L311-L316 PolarHBondContact O-N 2.95Å; H314-L316 HydrophobicContact CB-CD1 3.93Å; H314-L316 HydrophobicContact CB-CG 4.16Å; L316-P569 HydrophobicContact CD1-CG 3.88Å; L316-P569 HydrophobicContact CD2-CG 4.15Å; L316-W570 HydrophobicContact CD1-CE3 3.82Å; L316-W570 HydrophobicContact CD1-CZ3 3.71Å; L316-L578 HydrophobicContact CD1-CD1 3.96Å; L316-L578 HydrophobicContact CD2-CD1 3.99Å; L316-L578 HydrophobicContact CG-CD1 4.19Å; L316-T581 HydrophobicContact CD2-CG2 3.9Å; L316-R582 HydrophobicContact CD2-CG 4.01Å; L316-I585 HydrophobicContact CD2-CD1 4.21Å
317	G	79.6	Confident	91.3	Very high	45 Å²	45	58 Å²	58	46%	0.464	27%	0.274	S	S	.	.			trans	69.1	-170.2	179.6	0	0	0	0	0	115.6	Q315	Q315-G317 PolarHBondContact O-N 2.95Å
318	E	83.6	Confident	91.2	Very high	167 Å²	167	56.9 Å²	56.9	78%	0.78	27%	0.269	S	S	*	.	S	Bend	trans	-88.6	154.4	156.6	-59.7	-167.9	160	0	0	108.5	P286	P286-E318 WeakPolarHBondContact CD-O 3.25Å
319	G	90.3	Very high	91	Very high	14 Å²	14	58.7 Å²	58.7	14%	0.144	28%	0.28	C	S	.	.			trans	-177.7	167.3	-174.6	0	0	0	0	0	112.3	P286	P286-G319 CarbonylContact O-C 3.57Å; P286-G319 VanDerWaalsContact O-CA 3.26Å; P286-G319 WeakPolarHBondContact O-CA 3.15Å
320	V	94.3	Very high	90.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128.7	-175.7	-174.1	0	0	0	0	109.9	L285 P286 F287 W288 Y441	L285-V320 HydrophobicContact CB-CG2 4.1Å; L285-V320 HydrophobicContact CD1-CG2 3.98Å; P286-V320 PolarHBondContact O-N 3.29Å; F287-V320 CarbonylContact C-O 3.58Å; F287-V320 WeakPolarHBondContact CA-O 3.34Å; F287-V320 HydrophobicContact CD1-CB 3.98Å; F287-V320 HydrophobicContact CD1-CG1 4.05Å; F287-V320 HydrophobicContact CD2-CB 4.19Å; F287-V320 HydrophobicContact CD2-CG2 4.24Å; F287-V320 HydrophobicContact CE1-CB 3.91Å; F287-V320 HydrophobicContact CE1-CG1 3.76Å; F287-V320 HydrophobicContact CE1-CG2 4.17Å; F287-V320 HydrophobicContact CE2-CB 4.14Å; F287-V320 HydrophobicContact CE2-CG2 3.78Å; F287-V320 HydrophobicContact CG-CB 4.1Å; F287-V320 HydrophobicContact CZ-CB 3.99Å; F287-V320 HydrophobicContact CZ-CG1 4.16Å; F287-V320 HydrophobicContact CZ-CG2 3.73Å; W288-V320 PolarHBondContact N-O 3.03Å; V320-Y441 HydrophobicContact CG1-CD2 4.18Å; V320-Y441 HydrophobicContact CG1-CG 4.47Å; V320-Y441 HydrophobicContact CG2-CD2 4.05Å; V320-Y441 HydrophobicContact CG2-CE2 4.05Å
321	I	94.4	Very high	90.5	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.1	173.9	-59.3	169.8	0	0	0	109	F290 L304 F307 L311 L323 N361 I362 S363	F290-I321 HydrophobicContact CB-CG2 3.82Å; F290-I321 HydrophobicContact CD2-CG2 4.39Å; F290-I321 HydrophobicContact CG-CG2 4.3Å; L304-I321 HydrophobicContact CD2-CG2 3.71Å; F307-I321 HydrophobicContact CD1-CD1 4.16Å; F307-I321 HydrophobicContact CD1-CG1 4.31Å; F307-I321 HydrophobicContact CD1-CG2 4.16Å; F307-I321 HydrophobicContact CE1-CG1 4.37Å; F307-I321 HydrophobicContact CE1-CG2 4.26Å; L311-I321 HydrophobicContact CD1-CD1 4.08Å; L311-I321 HydrophobicContact CD1-CG1 4.08Å; I321-L323 HydrophobicContact CG2-CD2 4.46Å; I321-N361 PolarHBondContact N-O 3.05Å; I321-I362 HydrophobicContact CB-CG2 4.05Å; I321-I362 WeakPolarHBondContact O-CA 3.24Å; I321-I362 WeakPolarHBondContact O-CB 3.39Å; I321-S363 PolarHBondContact O-N 3.13Å
322	S	94.1	Very high	90	Very high	20 Å²	20	51.4 Å²	51.4	14%	0.14	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.6	-172.6	-59.2	0	0	0	0	112.8	F287 W288 F290 S363	F287-S322 WeakPolarHBondContact CD1-OG 3.35Å; W288-S322 PolarHBondContact O-N 3.37Å; F290-S322 WeakPolarHBondContact CB-O 3.47Å; F290-S322 PolarHBondContact N-O 3.24Å; S322-S363 VanDerWaalsContact CA-OG 3.31Å; S322-S363 WeakPolarHBondContact CA-OG 3.06Å; S322-S363 VanDerWaalsContact CB-OG 3.26Å; S322-S363 WeakPolarHBondContact CB-OG 3.29Å; S322-S363 PolarHBondContact OG-OG 3.04Å
323	L	92.9	Very high	89.4	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.5	-179.5	-50.6	-177.1	0	0	0	111.1	F290 L304 I321 L331 I362 S363 I364 T365	F290-L323 HydrophobicContact CB-CD2 4.16Å; F290-L323 HydrophobicContact CD1-CD2 3.88Å; F290-L323 HydrophobicContact CG-CD2 4.25Å; L304-L323 HydrophobicContact CD1-CD2 3.93Å; L304-L323 HydrophobicContact CD2-CD2 3.52Å; L304-L323 HydrophobicContact CG-CD2 4.29Å; I321-L323 HydrophobicContact CG2-CD2 4.46Å; L323-L331 HydrophobicContact CD1-CD1 3.59Å; L323-I362 HydrophobicContact CD1-CD1 4.11Å; L323-S363 PolarHBondContact N-O 3.14Å; L323-I364 HydrophobicContact CD1-CG2 4.37Å; L323-T365 VanDerWaalsContact O-CB 3.25Å; L323-T365 WeakPolarHBondContact O-CB 3.38Å; L323-T365 PolarHBondContact O-N 2.98Å; L323-T365 PolarHBondContact O-OG1 2.82Å
324	N	91.2	Very high	88.5	Confident	57 Å²	57	42 Å²	42	31%	0.305	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-73.8	160.2	171.2	67.5	18.9	0	0	0	112.3	H326 S327 T328	N324-H326 VanDerWaalsContact C-N 3.25Å; N324-H326 PolarHBondContact O-N 2.79Å; N324-H326 VanDerWaalsContact O-N 3.16Å; N324-S327 WeakPolarHBondContact O-CA 3.04Å; N324-S327 WeakPolarHBondContact O-CB 3.31Å; N324-S327 PolarHBondContact O-N 3.13Å; N324-S327 VanDerWaalsContact OD1-CB 3.25Å; N324-S327 WeakPolarHBondContact OD1-CB 3.28Å; N324-S327 PolarHBondContact OD1-N 3.41Å; N324-S327 PolarHBondContact OD1-OG 2.94Å; N324-T328 PolarHBondContact O-N 3Å; N324-T328 PolarHBondContact O-OG1 2.86Å
325	E	90.1	Very high	87	Confident	35 Å²	35	45.5 Å²	45.5	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-49.5	-40.2	-177.9	-179.2	178.5	-146.6	0	0	114.1	T329 T365 S367 W407 R408	E325-T329 WeakPolarHBondContact O-CB 3.23Å; E325-T329 PolarHBondContact O-N 2.83Å; E325-T329 PolarHBondContact O-OG1 3.27Å; E325-T365 WeakPolarHBondContact CA-O 3.44Å; E325-T365 HydrophobicContact CB-CG2 4.19Å; E325-S367 VanDerWaalsContact OE1-CB 3.27Å; E325-S367 WeakPolarHBondContact OE1-CB 3.39Å; E325-S367 PolarHBondContact OE1-OG 3.33Å; E325-W407 PolarHBondContact OE1-NE1 2.87Å; E325-W407 PolarHBondContact OE2-NE1 3.03Å; E325-R408 WeakPolarHBondContact OE2-CD 3.28Å; E325-R408 IonicContact OE2-CZ 2.71Å; E325-R408 IonicContact OE2-NE 3.96Å; E325-R408 IonicContact OE2-NH1 3.67Å; E325-R408 PolarHBondContact OE2-NH1 2.84Å
326	H	89.7	Confident	85.1	Confident	66 Å²	66	41 Å²	41	31%	0.306	22%	0.224	S	C	.	.	H	α-helix	trans	-67.2	-43	176.3	176.8	82.9	0	0	0	112	V294 N324 T329 L330	V294-H326 PolarHBondContact O-NE2 2.77Å; N324-H326 VanDerWaalsContact C-N 3.25Å; N324-H326 PolarHBondContact O-N 2.79Å; N324-H326 VanDerWaalsContact O-N 3.16Å; H326-T329 PolarHBondContact O-N 2.68Å; H326-L330 VanDerWaalsContact NE2-CD1 3.33Å; H326-L330 WeakPolarHBondContact NE2-CD1 3.37Å; H326-L330 WeakPolarHBondContact O-CB 3.23Å; H326-L330 WeakPolarHBondContact O-CG 3.49Å; H326-L330 PolarHBondContact O-N 3.31Å
327	S	90.5	Very high	83.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.1	-41.6	175.3	-58.7	0	0	0	0	112.1	N324 L330 L331	N324-S327 WeakPolarHBondContact O-CA 3.04Å; N324-S327 WeakPolarHBondContact O-CB 3.31Å; N324-S327 PolarHBondContact O-N 3.13Å; N324-S327 VanDerWaalsContact OD1-CB 3.25Å; N324-S327 WeakPolarHBondContact OD1-CB 3.28Å; N324-S327 PolarHBondContact OD1-N 3.41Å; N324-S327 PolarHBondContact OD1-OG 2.94Å; S327-L330 PolarHBondContact O-N 3.26Å; S327-L331 WeakPolarHBondContact O-CG 3.31Å; S327-L331 PolarHBondContact O-N 3.07Å
328	T	89.9	Confident	81.3	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-46.7	173.6	-68.3	0	0	0	0	110.9	N324 L331 S332 I364 T365 L366	N324-T328 PolarHBondContact O-N 3Å; N324-T328 PolarHBondContact O-OG1 2.86Å; T328-L331 PolarHBondContact O-N 3.15Å; T328-S332 PolarHBondContact O-N 3.43Å; T328-I364 HydrophobicContact CG2-CB 3.87Å; T328-I364 HydrophobicContact CG2-CD1 4.19Å; T328-I364 HydrophobicContact CG2-CG2 3.99Å; T328-I364 WeakPolarHBondContact OG1-CB 3.46Å; T328-T365 PolarHBondContact OG1-N 2.79Å; T328-L366 HydrophobicContact CG2-CD2 3.98Å
329	T	87.9	Confident	79.3	Confident	47 Å²	47	48.5 Å²	48.5	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-60	-51.8	177	-56.2	0	0	0	0	111.1	E325 H326 L331 S332 E333	E325-T329 WeakPolarHBondContact O-CB 3.23Å; E325-T329 PolarHBondContact O-N 2.83Å; E325-T329 PolarHBondContact O-OG1 3.27Å; H326-T329 PolarHBondContact O-N 2.68Å; T329-L331 PolarHBondContact O-N 3.37Å; T329-S332 PolarHBondContact O-N 2.98Å; T329-S332 PolarHBondContact O-OG 2.9Å; T329-E333 PolarHBondContact O-N 3.11Å; T329-E333 VanDerWaalsContact O-N 3.1Å
330	L	88.6	Confident	77	Confident	19 Å²	19	53.1 Å²	53.1	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-27.3	178.9	-76.8	-177.8	0	0	0	114.5	V294 G297 V300 H326 S327	V294-L330 HydrophobicContact CG2-CD1 4.5Å; V294-L330 WeakPolarHBondContact O-CD1 3.35Å; G297-L330 WeakPolarHBondContact CA-O 3.29Å; G297-L330 PolarHBondContact N-O 3.04Å; V300-L330 HydrophobicContact CG2-CB 4.22Å; V300-L330 HydrophobicContact CG2-CD1 4.25Å; H326-L330 VanDerWaalsContact NE2-CD1 3.33Å; H326-L330 WeakPolarHBondContact NE2-CD1 3.37Å; H326-L330 WeakPolarHBondContact O-CB 3.23Å; H326-L330 WeakPolarHBondContact O-CG 3.49Å; H326-L330 PolarHBondContact O-N 3.31Å; S327-L330 PolarHBondContact O-N 3.26Å
331	L	85.3	Confident	74.5	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-78.1	-37.8	171.4	-71.6	177.2	0	0	0	111.9	V300 L304 L323 S327 T328 T329 E333 M334 L437	V300-L331 HydrophobicContact CB-CD2 3.86Å; V300-L331 HydrophobicContact CB-CG 4.22Å; V300-L331 HydrophobicContact CG1-CD1 3.97Å; V300-L331 HydrophobicContact CG1-CD2 3.87Å; V300-L331 HydrophobicContact CG1-CG 3.85Å; L304-L331 HydrophobicContact CD1-CD1 4.18Å; L323-L331 HydrophobicContact CD1-CD1 3.59Å; S327-L331 WeakPolarHBondContact O-CG 3.31Å; S327-L331 PolarHBondContact O-N 3.07Å; T328-L331 PolarHBondContact O-N 3.15Å; T329-L331 PolarHBondContact O-N 3.37Å; L331-E333 VanDerWaalsContact C-N 3.26Å; L331-E333 PolarHBondContact O-N 3.37Å; L331-M334 HydrophobicContact CD2-SD 3.58Å; L331-M334 VanDerWaalsContact CD2-SD 3.58Å; L331-M334 VanDerWaalsContact O-CB 3.28Å; L331-M334 WeakPolarHBondContact O-CB 3.16Å; L331-M334 PolarHBondContact O-N 2.71Å; L331-M334 VanDerWaalsContact O-N 3.12Å; L331-L437 HydrophobicContact CB-CD1 4.36Å; L331-L437 HydrophobicContact CB-CD2 3.91Å; L331-L437 HydrophobicContact CD1-CD2 4.49Å
332	S	83.1	Confident	72.1	Confident	41 Å²	41	67.1 Å²	67.1	29%	0.287	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-28.1	178.2	73.4	0	0	0	0	113.8	T328 T329 M334	T328-S332 PolarHBondContact O-N 3.43Å; T329-S332 PolarHBondContact O-N 2.98Å; T329-S332 PolarHBondContact O-OG 2.9Å; S332-M334 VanDerWaalsContact C-N 3.27Å; S332-M334 PolarHBondContact O-N 2.71Å
333	E	80.3	Confident	69.7	Low	142 Å²	142	72.4 Å²	72.4	66%	0.664	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	2.7	175.2	-65.4	176.7	171	0	0	113.4	T329 L331 D335	T329-E333 PolarHBondContact O-N 3.11Å; T329-E333 VanDerWaalsContact O-N 3.1Å; L331-E333 VanDerWaalsContact C-N 3.26Å; L331-E333 PolarHBondContact O-N 3.37Å; E333-D335 PolarHBondContact O-N 2.75Å; E333-D335 VanDerWaalsContact O-N 3.17Å
334	M	75.6	Confident	67.2	Low	25 Å²	25	84.2 Å²	84.2	12%	0.123	40%	0.399	C	S	.	.			trans	-76.2	103.1	179.4	-72.9	-173.8	54.9	0	0	112.7	G297 P298 L331 S332 H336	G297-M334 VanDerWaalsContact CA-SD 3.58Å; P298-M334 HydrophobicContact CG-CE 4.15Å; L331-M334 HydrophobicContact CD2-SD 3.58Å; L331-M334 VanDerWaalsContact CD2-SD 3.58Å; L331-M334 VanDerWaalsContact O-CB 3.28Å; L331-M334 WeakPolarHBondContact O-CB 3.16Å; L331-M334 PolarHBondContact O-N 2.71Å; L331-M334 VanDerWaalsContact O-N 3.12Å; S332-M334 VanDerWaalsContact C-N 3.27Å; S332-M334 PolarHBondContact O-N 2.71Å; M334-H336 PolarHBondContact O-N 2.79Å
335	D	60.3	Low	64.8	Low	121 Å²	121	84.5 Å²	84.5	65%	0.647	42%	0.416	S	S	*	.			trans	-66	104.1	163	-173.1	-3.1	0	0	0	110.7	E333 D337 Y338	E333-D335 PolarHBondContact O-N 2.75Å; E333-D335 VanDerWaalsContact O-N 3.17Å; D335-D337 PolarHBondContact O-N 2.68Å; D335-D337 PolarHBondContact OD1-N 2.98Å; D335-D337 VanDerWaalsContact OD1-N 3.13Å; D335-Y338 PolarHBondContact O-N 3.1Å
336	H	55.1	Low	62.2	Low	50 Å²	50	91.2 Å²	91.2	23%	0.231	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15	-177.1	-88.6	-32.8	0	0	0	114.1	M334 Y338 L339 P355 H436	M334-H336 PolarHBondContact O-N 2.79Å; H336-Y338 PolarHBondContact O-N 2.74Å; H336-Y338 VanDerWaalsContact O-N 3.11Å; H336-L339 PolarHBondContact O-N 3.23Å; H336-L339 VanDerWaalsContact O-N 3.16Å; H336-P355 VanDerWaalsContact NE2-CG 3.31Å; H336-P355 WeakPolarHBondContact NE2-CG 3.36Å; H336-H436 AromaticContact CD2-NE2 3.75Å; H336-H436 AromaticContact NE2-NE2 3.76Å
337	D	47.7	Very low	59.7	Low	105 Å²	105	93.4 Å²	93.4	56%	0.561	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.5	177.3	-114.6	-17	0	0	0	113	D335 L339 N340 S341	D335-D337 PolarHBondContact O-N 2.68Å; D335-D337 PolarHBondContact OD1-N 2.98Å; D335-D337 VanDerWaalsContact OD1-N 3.13Å; D337-L339 PolarHBondContact O-N 2.86Å; D337-L339 VanDerWaalsContact O-N 3.17Å; D337-N340 WeakPolarHBondContact O-CB 3.44Å; D337-N340 PolarHBondContact O-N 3.35Å; D337-N340 PolarHBondContact OD1-ND2 2.9Å; D337-S341 PolarHBondContact O-N 3.33Å
338	Y	42.4	Very low	57.3	Low	168 Å²	168	103.1 Å²	103.1	66%	0.659	51%	0.514	S	S	*	.	H	α-helix	trans	-60	-25.2	173.9	-139	-92.1	0	0	0	113.6	D335 H336	D335-Y338 PolarHBondContact O-N 3.1Å; H336-Y338 PolarHBondContact O-N 2.74Å; H336-Y338 VanDerWaalsContact O-N 3.11Å
339	L	42.3	Very low	54.8	Low	100 Å²	100	114 Å²	114	52%	0.524	56%	0.555	S	S	.	*	H	α-helix	trans	-73.4	-30.6	175	-70	172.1	0	0	0	112.7	H336 D337	H336-L339 PolarHBondContact O-N 3.23Å; H336-L339 VanDerWaalsContact O-N 3.16Å; D337-L339 PolarHBondContact O-N 2.86Å; D337-L339 VanDerWaalsContact O-N 3.17Å
340	N	41.9	Very low	52.4	Low	110 Å²	110	120.5 Å²	120.5	59%	0.588	59%	0.587	S	S	*	*	H	α-helix	trans	-72.6	-39.1	177.2	-71.1	-39.9	0	0	0	111.5	D337 R342 K343	D337-N340 WeakPolarHBondContact O-CB 3.44Å; D337-N340 PolarHBondContact O-N 3.35Å; D337-N340 PolarHBondContact OD1-ND2 2.9Å; N340-R342 PolarHBondContact O-N 2.66Å; N340-K343 PolarHBondContact O-N 3.13Å
341	S	41.5	Very low	49.9	Very low	85 Å²	85	124.4 Å²	124.4	59%	0.594	61%	0.612	S	S	*	*	H	α-helix	trans	-53.7	-47.6	-178	-179.8	0	0	0	0	113.6	D337 K343	D337-S341 PolarHBondContact O-N 3.33Å; S341-K343 VanDerWaalsContact C-N 3.32Å; S341-K343 PolarHBondContact O-N 2.69Å
342	R	44.5	Very low	47.8	Very low	214 Å²	214	135.2 Å²	135.2	81%	0.808	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-7	-175.8	-78.4	-172.2	171.4	-169.3	-1.3	115.5	N340	N340-R342 PolarHBondContact O-N 2.66Å
343	K	43.8	Very low	46	Very low	131 Å²	131	138.5 Å²	138.5	57%	0.57	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	7.2	-178	-75.3	-171.6	178.7	-174.5	0	115.4	N340 S341 G345 D353	N340-K343 PolarHBondContact O-N 3.13Å; S341-K343 VanDerWaalsContact C-N 3.32Å; S341-K343 PolarHBondContact O-N 2.69Å; K343-G345 PolarHBondContact O-N 2.84Å; K343-D353 IonicContact NZ-OD2 2.58Å; K343-D353 PolarHBondContact NZ-OD2 3.25Å
344	R	39.4	Very low	44.7	Very low	249 Å²	249	135.5 Å²	135.5	94%	0.94	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	52.4	169.4	-74.7	-168.5	175.2	-175.4	1.4	113.3
345	G	41.6	Very low	44.2	Very low	64 Å²	64	135.6 Å²	135.6	66%	0.66	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	160	55.3	178.5	0	0	0	0	0	116.1	K343	K343-G345 PolarHBondContact O-N 2.84Å
346	M	35	Very low	44.6	Very low	176 Å²	176	130.8 Å²	130.8	87%	0.867	63%	0.632	S	S	*	*	S	Bend	trans	179.9	133.3	141.4	-99.9	-71.1	-102.2	0	0	112.5
347	S	37.2	Very low	45.2	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	62%	0.623	S	S	*	*			trans	18.7	139.3	167.3	-153.8	0	0	0	0	122.8	R349	S347-R349 PolarHBondContact O-N 3.48Å
348	K	40.8	Very low	46.3	Very low	205 Å²	205	127.5 Å²	127.5	89%	0.891	61%	0.612	S	S	*	*			trans	-66.8	110.9	173	-65	174.5	178.1	178	0	112.2
349	R	37.2	Very low	48	Very low	229 Å²	229	125 Å²	125	86%	0.864	61%	0.61	S	S	*	*			trans	-123.2	115.3	146.1	-81.8	-170	172.8	-173.8	-1.9	108.4	S347 T351	S347-R349 PolarHBondContact O-N 3.48Å; R349-T351 PolarHBondContact O-N 2.72Å
350	L	37.9	Very low	49.9	Very low	184 Å²	184	121.3 Å²	121.3	96%	0.963	59%	0.59	S	S	*	*			trans	-95.6	60.8	-174.8	-160.1	85	0	0	0	110.9
351	T	35.5	Very low	52.1	Low	102 Å²	102	118.6 Å²	118.6	63%	0.626	58%	0.576	S	S	*	*			trans	-80.8	142.9	160.1	41.1	0	0	0	0	108.6	R349 D353	R349-T351 PolarHBondContact O-N 2.72Å; T351-D353 PolarHBondContact O-N 2.85Å
352	R	41.5	Very low	54.4	Low	228 Å²	228	114.5 Å²	114.5	86%	0.86	55%	0.547	S	S	*	.			trans	-68.9	99.9	174.4	-74.7	163.5	64.6	174.9	-0.8	108.2	L354	R352-L354 HydrophobicContact CB-CD1 4.33Å; R352-L354 PolarHBondContact O-N 3.09Å
353	D	44.3	Very low	56.8	Low	109 Å²	109	104.3 Å²	104.3	58%	0.583	51%	0.509	S	S	*	.			trans	-70.2	78.8	175.7	-69.9	-23.3	0	0	0	109.8	K343 T351	K343-D353 IonicContact NZ-OD2 2.58Å; K343-D353 PolarHBondContact NZ-OD2 3.25Å; T351-D353 PolarHBondContact O-N 2.85Å
354	L	53.2	Low	59.1	Low	79 Å²	79	98.1 Å²	98.1	41%	0.414	48%	0.482	S	S	.	.			trans	-66.4	143.6	157.4	-83.2	90.1	0	0	0	108.5	R352 L356 K358 L359	R352-L354 HydrophobicContact CB-CD1 4.33Å; R352-L354 PolarHBondContact O-N 3.09Å; L354-L356 PolarHBondContact O-N 2.87Å; L354-K358 HydrophobicContact CD2-CB 4.01Å; L354-K358 HydrophobicContact CD2-CD 4.42Å; L354-L359 HydrophobicContact CB-CD2 4.45Å; L354-L359 HydrophobicContact CB-CG 4.43Å
355	P	65.7	Low	61.7	Low	28 Å²	28	86.7 Å²	86.7	18%	0.182	44%	0.44	C	S	.	.			trans	-52.9	140.6	167.1	-23.8	33.8	0	0	0	110.1	H336 V357 K358	H336-P355 VanDerWaalsContact NE2-CG 3.31Å; H336-P355 WeakPolarHBondContact NE2-CG 3.36Å; P355-V357 PolarHBondContact O-N 3.12Å; P355-V357 VanDerWaalsContact O-N 3.11Å; P355-K358 PolarHBondContact O-N 3.3Å
356	L	68.7	Low	64.3	Low	20 Å²	20	84.2 Å²	84.2	11%	0.105	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-54.8	-35.5	-178.3	-178.6	78.3	0	0	0	112.1	E301 R305 L354 K358 L359 L360	E301-L356 HydrophobicContact CG-CB 4.22Å; E301-L356 HydrophobicContact CG-CD2 4.46Å; E301-L356 WeakPolarHBondContact OE1-CB 3.31Å; R305-L356 HydrophobicContact CB-CD2 3.45Å; R305-L356 VanDerWaalsContact CB-CD2 3.45Å; R305-L356 HydrophobicContact CG-CD1 4.4Å; R305-L356 HydrophobicContact CG-CD2 3.62Å; L354-L356 PolarHBondContact O-N 2.87Å; L356-K358 PolarHBondContact O-N 2.82Å; L356-L359 CarbonylContact O-C 3.36Å; L356-L359 WeakPolarHBondContact O-CA 3.17Å; L356-L359 WeakPolarHBondContact O-CB 3.09Å; L356-L359 PolarHBondContact O-N 3.05Å; L356-L360 HydrophobicContact CD2-CD1 4.03Å; L356-L360 HydrophobicContact CG-CD1 4.04Å; L356-L360 HydrophobicContact CG-CG 4.29Å; L356-L360 PolarHBondContact O-N 2.82Å
357	V	67.8	Low	67.1	Low	7 Å²	7	76.1 Å²	76.1	4%	0.042	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-54.2	-41	-180	-166.6	0	0	0	0	111.1	E301 P355 L359 L360 I362 L437	E301-V357 HydrophobicContact CG-CG2 4.2Å; P355-V357 PolarHBondContact O-N 3.12Å; P355-V357 VanDerWaalsContact O-N 3.11Å; V357-L359 PolarHBondContact O-N 3.49Å; V357-L359 VanDerWaalsContact O-N 3.07Å; V357-L360 PolarHBondContact O-N 2.89Å; V357-L360 VanDerWaalsContact O-N 3.16Å; V357-I362 HydrophobicContact CG1-CD1 3.44Å; V357-I362 VanDerWaalsContact CG1-CD1 3.44Å; V357-I362 HydrophobicContact CG1-CG1 4.24Å; V357-L437 HydrophobicContact CG1-CB 4.12Å; V357-L437 HydrophobicContact CG1-CD2 4.09Å
358	K	70.9	Confident	69.8	Low	78 Å²	78	71 Å²	71	34%	0.339	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-72.3	3.9	176.2	-60	-159.4	172	-158.7	0	114.9	L354 P355 L356 A435 H436 L437	L354-K358 HydrophobicContact CD2-CB 4.01Å; L354-K358 HydrophobicContact CD2-CD 4.42Å; P355-K358 PolarHBondContact O-N 3.3Å; L356-K358 PolarHBondContact O-N 2.82Å; K358-A435 PolarHBondContact NZ-O 2.88Å; K358-H436 WeakPolarHBondContact CE-O 3.33Å; K358-H436 PolarHBondContact NZ-O 3.08Å; K358-L437 WeakPolarHBondContact CG-O 3.5Å
359	L	76.3	Confident	72.4	Confident	116 Å²	116	62.4 Å²	62.4	61%	0.607	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-123.6	10.8	177.9	-55.2	174.7	0	0	0	111.4	L354 L356 V357	L354-L359 HydrophobicContact CB-CD2 4.45Å; L354-L359 HydrophobicContact CB-CG 4.43Å; L356-L359 CarbonylContact O-C 3.36Å; L356-L359 WeakPolarHBondContact O-CA 3.17Å; L356-L359 WeakPolarHBondContact O-CB 3.09Å; L356-L359 PolarHBondContact O-N 3.05Å; V357-L359 PolarHBondContact O-N 3.49Å; V357-L359 VanDerWaalsContact O-N 3.07Å
360	L	82.8	Confident	75	Confident	22 Å²	22	51.9 Å²	51.9	12%	0.115	26%	0.26	C	S	.	.	S	Bend	trans	-122.7	139	176	-64.3	178	0	0	0	108.7	L304 S308 L356 V357 I362	L304-L360 HydrophobicContact CB-CD1 4.35Å; S308-L360 WeakPolarHBondContact OG-CD2 3.38Å; L356-L360 HydrophobicContact CD2-CD1 4.03Å; L356-L360 HydrophobicContact CG-CD1 4.04Å; L356-L360 HydrophobicContact CG-CG 4.29Å; L356-L360 PolarHBondContact O-N 2.82Å; V357-L360 PolarHBondContact O-N 2.89Å; V357-L360 VanDerWaalsContact O-N 3.16Å; L360-I362 HydrophobicContact CB-CG2 4.14Å; L360-I362 PolarHBondContact O-N 3.08Å
361	N	88	Confident	77.6	Confident	53 Å²	53	43.6 Å²	43.6	28%	0.283	22%	0.219	S	C	.	.			trans	-75.5	113.9	164.6	-165.6	-8.3	0	0	0	108	I321 Y441	I321-N361 PolarHBondContact N-O 3.05Å; N361-Y441 WeakPolarHBondContact OD1-CD2 3.38Å; N361-Y441 VanDerWaalsContact OD1-CE2 3.31Å; N361-Y441 WeakPolarHBondContact OD1-CE2 3.3Å
362	I	90.6	Very high	80.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.8	-178.4	46.7	143.8	0	0	0	109.6	I321 L323 V357 L360 I364 L437 M439	I321-I362 HydrophobicContact CB-CG2 4.05Å; I321-I362 WeakPolarHBondContact O-CA 3.24Å; I321-I362 WeakPolarHBondContact O-CB 3.39Å; L323-I362 HydrophobicContact CD1-CD1 4.11Å; V357-I362 HydrophobicContact CG1-CD1 3.44Å; V357-I362 VanDerWaalsContact CG1-CD1 3.44Å; V357-I362 HydrophobicContact CG1-CG1 4.24Å; L360-I362 HydrophobicContact CB-CG2 4.14Å; L360-I362 PolarHBondContact O-N 3.08Å; I362-I364 HydrophobicContact CD1-CG2 4.48Å; I362-L437 HydrophobicContact CD1-CB 4.47Å; I362-M439 HydrophobicContact CD1-CB 3.96Å; I362-M439 HydrophobicContact CD1-CG 4.47Å; I362-M439 HydrophobicContact CG1-CB 3.88Å; I362-M439 WeakPolarHBondContact O-CB 3.2Å
363	S	94	Very high	82.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139	161.1	73.3	0	0	0	0	109.3	I321 S322 L323 Y441	I321-S363 PolarHBondContact O-N 3.13Å; S322-S363 VanDerWaalsContact CA-OG 3.31Å; S322-S363 WeakPolarHBondContact CA-OG 3.06Å; S322-S363 VanDerWaalsContact CB-OG 3.26Å; S322-S363 WeakPolarHBondContact CB-OG 3.29Å; S322-S363 PolarHBondContact OG-OG 3.04Å; L323-S363 PolarHBondContact N-O 3.14Å; S363-Y441 WeakPolarHBondContact CA-O 3.23Å
364	I	93.2	Very high	84.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	151	169.8	59.7	156.8	0	0	0	110.7	L323 T328 I362 L366 L433 L437 M439 Y441 V442 V443	L323-I364 HydrophobicContact CD1-CG2 4.37Å; T328-I364 HydrophobicContact CG2-CB 3.87Å; T328-I364 HydrophobicContact CG2-CD1 4.19Å; T328-I364 HydrophobicContact CG2-CG2 3.99Å; T328-I364 WeakPolarHBondContact OG1-CB 3.46Å; I362-I364 HydrophobicContact CD1-CG2 4.48Å; I364-L366 HydrophobicContact CD1-CD1 3.76Å; I364-L366 HydrophobicContact CD1-CD2 4.09Å; I364-L366 HydrophobicContact CD1-CG 3.79Å; I364-L433 HydrophobicContact CD1-CB 4.4Å; I364-L433 HydrophobicContact CD1-CD1 4.29Å; I364-L437 HydrophobicContact CG2-CD1 4.16Å; I364-M439 HydrophobicContact CB-CE 4.35Å; I364-M439 HydrophobicContact CD1-CE 3.38Å; I364-M439 HydrophobicContact CG1-CE 3.69Å; I364-M439 HydrophobicContact CG1-CG 4.48Å; I364-M439 HydrophobicContact CG2-CE 3.76Å; I364-M439 HydrophobicContact CG2-CG 4.37Å; I364-M439 HydrophobicContact CG2-SD 4.38Å; I364-Y441 PolarHBondContact N-O 3.03Å; I364-V442 HydrophobicContact CD1-CG2 4.42Å; I364-V442 HydrophobicContact CG1-CG1 4.38Å; I364-V442 HydrophobicContact CG1-CG2 4.16Å; I364-V443 PolarHBondContact O-N 3.26Å
365	T	94.4	Very high	85.9	Confident	9 Å²	9	32.8 Å²	32.8	6%	0.055	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.4	165.2	-64.9	0	0	0	0	110.7	L323 E325 T328 V443 E445	L323-T365 VanDerWaalsContact O-CB 3.25Å; L323-T365 WeakPolarHBondContact O-CB 3.38Å; L323-T365 PolarHBondContact O-N 2.98Å; L323-T365 PolarHBondContact O-OG1 2.82Å; E325-T365 WeakPolarHBondContact CA-O 3.44Å; E325-T365 HydrophobicContact CB-CG2 4.19Å; T328-T365 PolarHBondContact OG1-N 2.79Å; T365-V443 CarbonylContact C-O 3.54Å; T365-V443 WeakPolarHBondContact CA-O 3.31Å; T365-E445 HydrophobicContact CG2-CG 3.83Å; T365-E445 WeakPolarHBondContact CG2-OE2 3.33Å
366	L	94.6	Very high	86.7	Confident	13 Å²	13	35.7 Å²	35.7	7%	0.068	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	164.9	172.1	-61.3	175.8	0	0	0	109.7	T328 I364 F426 V430 L433 V442 V443 L444 E445	T328-L366 HydrophobicContact CG2-CD2 3.98Å; I364-L366 HydrophobicContact CD1-CD1 3.76Å; I364-L366 HydrophobicContact CD1-CD2 4.09Å; I364-L366 HydrophobicContact CD1-CG 3.79Å; L366-F426 HydrophobicContact CB-CZ 4.32Å; L366-F426 HydrophobicContact CD1-CZ 4.42Å; L366-V430 HydrophobicContact CD1-CG2 3.77Å; L366-L433 HydrophobicContact CD1-CD1 4.28Å; L366-L433 HydrophobicContact CD2-CD1 3.81Å; L366-V442 HydrophobicContact CD1-CG1 4.13Å; L366-V443 PolarHBondContact N-O 2.94Å; L366-L444 HydrophobicContact CB-CD2 4.08Å; L366-E445 PolarHBondContact O-N 2.91Å
367	S	94.5	Very high	87.6	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.042	19%	0.192	C	C	.	.			trans	-139.6	162.2	171.1	77.7	0	0	0	0	110.2	E325 F369 F426 E445	E325-S367 VanDerWaalsContact OE1-CB 3.27Å; E325-S367 WeakPolarHBondContact OE1-CB 3.39Å; E325-S367 PolarHBondContact OE1-OG 3.33Å; S367-F369 PolarHBondContact O-N 2.86Å; S367-F369 PolarHBondContact OG-N 3.23Å; S367-F426 WeakPolarHBondContact O-CE2 3.36Å; S367-E445 WeakPolarHBondContact CA-O 3.46Å; S367-E445 WeakPolarHBondContact CB-O 3.29Å
368	P	94.9	Very high	88.4	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.019	21%	0.213	C	C	.	.	S	Bend	trans	-76.2	12	171	33.6	-34.7	0	0	0	112.5	K414 L415 E445 G446 Y468	P368-K414 HydrophobicContact CG-CG 4.38Å; P368-K414 CarbonylContact O-C 3.58Å; P368-L415 HydrophobicContact CB-CB 3.96Å; P368-L415 WeakPolarHBondContact O-CB 3.46Å; P368-L415 PolarHBondContact O-N 2.94Å; P368-E445 WeakPolarHBondContact CD-O 3.08Å; P368-G446 WeakPolarHBondContact CG-O 3.42Å; P368-Y468 VanDerWaalsContact CB-OH 3.32Å; P368-Y468 WeakPolarHBondContact CB-OH 3.4Å; P368-Y468 HydrophobicContact CG-CE1 4.26Å
369	F	93.8	Very high	89	Confident	25 Å²	25	39.8 Å²	39.8	11%	0.11	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.5	179.6	-62.4	-75.2	0	0	0	112.4	S367 T405 W407 C412 V413 K414	S367-F369 PolarHBondContact O-N 2.86Å; S367-F369 PolarHBondContact OG-N 3.23Å; F369-T405 HydrophobicContact CD1-CG2 4.08Å; F369-T405 HydrophobicContact CE1-CG2 3.71Å; F369-W407 HydrophobicContact CB-CB 4.24Å; F369-W407 HydrophobicContact CB-CG 4.12Å; F369-W407 HydrophobicContact CD1-CB 4.19Å; F369-W407 HydrophobicContact CD2-CB 3.97Å; F369-W407 AromaticContact CD2-CD1 3.75Å; F369-W407 AromaticContact CD2-CD2 3.38Å; F369-W407 HydrophobicContact CD2-CD2 3.38Å; F369-W407 AromaticContact CD2-CE2 3.66Å; F369-W407 AromaticContact CD2-CE3 3.84Å; F369-W407 HydrophobicContact CD2-CE3 3.84Å; F369-W407 AromaticContact CD2-CG 3.45Å; F369-W407 HydrophobicContact CD2-CG 3.45Å; F369-W407 VanDerWaalsContact CD2-CG 3.45Å; F369-W407 HydrophobicContact CD2-CZ2 4.3Å; F369-W407 HydrophobicContact CD2-CZ3 4.46Å; F369-W407 AromaticContact CD2-NE1 3.86Å; F369-W407 HydrophobicContact CE2-CB 4.34Å; F369-W407 AromaticContact CE2-CD2 3.47Å; F369-W407 HydrophobicContact CE2-CD2 3.47Å; F369-W407 VanDerWaalsContact CE2-CD2 3.47Å; F369-W407 AromaticContact CE2-CE2 3.97Å; F369-W407 AromaticContact CE2-CE3 3.37Å; F369-W407 HydrophobicContact CE2-CE3 3.37Å; F369-W407 AromaticContact CE2-CG 3.93Å; F369-W407 HydrophobicContact CE2-CG 3.93Å; F369-W407 HydrophobicContact CE2-CH2 4.26Å; F369-W407 HydrophobicContact CE2-CZ2 4.34Å; F369-W407 AromaticContact CE2-CZ3 3.8Å; F369-W407 HydrophobicContact CE2-CZ3 3.8Å; F369-W407 HydrophobicContact CG-CB 3.88Å; F369-W407 HydrophobicContact CG-CD2 4.21Å; F369-W407 AromaticContact CG-CG 3.8Å; F369-W407 HydrophobicContact CG-CG 3.8Å; F369-W407 HydrophobicContact CZ-CD2 4.35Å; F369-W407 HydrophobicContact CZ-CE3 4.03Å; F369-C412 HydrophobicContact CB-CB 4.1Å; F369-C412 HydrophobicContact CD1-CB 4.27Å; F369-V413 VanDerWaalsContact CA-O 3.29Å; F369-V413 WeakPolarHBondContact CA-O 3.3Å; F369-K414 HydrophobicContact CD1-CB 3.86Å; F369-K414 HydrophobicContact CD1-CG 4.02Å; F369-K414 HydrophobicContact CE1-CB 3.65Å; F369-K414 HydrophobicContact CE1-CD 3.65Å; F369-K414 HydrophobicContact CE1-CG 3.59Å; F369-K414 HydrophobicContact CZ-CD 3.78Å; F369-K414 HydrophobicContact CZ-CG 4.08Å
370	L	92.1	Very high	89.3	Confident	7 Å²	7	34.7 Å²	34.7	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.3	167.6	-173.5	65.7	0	0	0	110.5	T374 Q376 F377 W389 C412 V413	L370-T374 HydrophobicContact CD1-CG2 4.07Å; L370-Q376 HydrophobicContact CD1-CB 4.34Å; L370-Q376 HydrophobicContact CD2-CB 3.99Å; L370-F377 HydrophobicContact CD2-CB 3.9Å; L370-F377 HydrophobicContact CG-CB 4.35Å; L370-W389 HydrophobicContact CB-CH2 3.82Å; L370-W389 HydrophobicContact CB-CZ3 3.98Å; L370-W389 HydrophobicContact CD2-CH2 3.46Å; L370-W389 VanDerWaalsContact CD2-CH2 3.46Å; L370-W389 HydrophobicContact CD2-CZ2 3.55Å; L370-W389 HydrophobicContact CD2-CZ3 4.43Å; L370-W389 HydrophobicContact CG-CH2 4.28Å; L370-C412 CarbonylContact O-C 3.54Å; L370-C412 WeakPolarHBondContact O-CA 3.33Å; L370-C412 WeakPolarHBondContact O-CB 3.1Å; L370-V413 HydrophobicContact CB-CG2 4.16Å; L370-V413 PolarHBondContact N-O 3.46Å; L370-V413 PolarHBondContact O-N 3.39Å
371	G	91.9	Very high	89.2	Confident	11 Å²	11	37.3 Å²	37.3	11%	0.113	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.4	176.8	0	0	0	0	0	112.2	D373 T374	G371-D373 WeakPolarHBondContact CA-OD1 3.37Å; G371-D373 PolarHBondContact O-N 2.86Å; G371-T374 WeakPolarHBondContact O-CB 3.48Å; G371-T374 WeakPolarHBondContact O-CG2 3.3Å; G371-T374 PolarHBondContact O-N 2.9Å; G371-T374 VanDerWaalsContact O-N 3.11Å; G371-T374 PolarHBondContact O-OG1 3.02Å
372	V	91.9	Very high	88.9	Confident	37 Å²	37	40 Å²	40	22%	0.224	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-9.3	-178.8	-55.6	0	0	0	0	113.8	T374 F377 L404 F411 V413	V372-T374 VanDerWaalsContact C-N 3.33Å; V372-F377 HydrophobicContact CB-CD1 3.76Å; V372-F377 HydrophobicContact CB-CE1 3.78Å; V372-F377 HydrophobicContact CG1-CD1 4.05Å; V372-F377 HydrophobicContact CG1-CE1 3.78Å; V372-F377 HydrophobicContact CG1-CZ 4.13Å; V372-L404 HydrophobicContact CG1-CD2 3.74Å; V372-F411 HydrophobicContact CG2-CB 3.77Å; V372-F411 PolarHBondContact N-O 3.19Å; V372-V413 HydrophobicContact CG1-CG1 4.46Å
373	D	87.8	Confident	88.6	Confident	103 Å²	103	45.4 Å²	45.4	55%	0.551	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.4	171.3	59.1	-28.2	0	0	0	113.2	G371 R410	G371-D373 WeakPolarHBondContact CA-OD1 3.37Å; G371-D373 PolarHBondContact O-N 2.86Å; D373-R410 IonicContact OD2-NH1 3.37Å
374	T	85.6	Confident	87.8	Confident	39 Å²	39	47.6 Å²	47.6	24%	0.239	28%	0.275	C	S	.	.	S	Bend	trans	-80.4	145.1	-179	66.4	0	0	0	0	112.8	L370 G371 V372 Q376 F377 H378	L370-T374 HydrophobicContact CD1-CG2 4.07Å; G371-T374 WeakPolarHBondContact O-CB 3.48Å; G371-T374 WeakPolarHBondContact O-CG2 3.3Å; G371-T374 PolarHBondContact O-N 2.9Å; G371-T374 VanDerWaalsContact O-N 3.11Å; G371-T374 PolarHBondContact O-OG1 3.02Å; V372-T374 VanDerWaalsContact C-N 3.33Å; T374-Q376 PolarHBondContact O-N 3.48Å; T374-F377 PolarHBondContact O-N 3.45Å; T374-F377 WeakPolarHBondContact OG1-CB 3.42Å; T374-F377 PolarHBondContact OG1-N 2.96Å; T374-F377 VanDerWaalsContact OG1-N 3.15Å; T374-H378 PolarHBondContact O-CD2 3.21Å; T374-H378 PolarHBondContact O-N 3.14Å
375	T	84.1	Confident	87.4	Confident	112 Å²	112	49.3 Å²	49.3	69%	0.687	29%	0.285	S	S	*	.	H	α-helix	trans	-58.4	-35.5	169.5	49.1	0	0	0	0	112	F377 H378 T379	T375-F377 PolarHBondContact O-N 2.77Å; T375-H378 PolarHBondContact O-N 3.3Å; T375-T379 PolarHBondContact O-N 3.14Å; T375-T379 PolarHBondContact O-OG1 3.28Å
376	Q	83.3	Confident	86.7	Confident	89 Å²	89	51 Å²	51	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-58.7	-45.1	176.9	-65.8	174.7	-1.6	0	0	111.8	L370 T374 T379 S380	L370-Q376 HydrophobicContact CD1-CB 4.34Å; L370-Q376 HydrophobicContact CD2-CB 3.99Å; T374-Q376 PolarHBondContact O-N 3.48Å; Q376-T379 PolarHBondContact O-N 3.43Å; Q376-S380 PolarHBondContact O-N 3.14Å
377	F	86.9	Confident	86.3	Confident	17 Å²	17	53.2 Å²	53.2	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-45.3	176.1	-178.6	-112.9	0	0	0	111.3	L370 V372 T374 T375 T379 S380 L381 W389 V413	L370-F377 HydrophobicContact CD2-CB 3.9Å; L370-F377 HydrophobicContact CG-CB 4.35Å; V372-F377 HydrophobicContact CB-CD1 3.76Å; V372-F377 HydrophobicContact CB-CE1 3.78Å; V372-F377 HydrophobicContact CG1-CD1 4.05Å; V372-F377 HydrophobicContact CG1-CE1 3.78Å; V372-F377 HydrophobicContact CG1-CZ 4.13Å; T374-F377 PolarHBondContact O-N 3.45Å; T374-F377 WeakPolarHBondContact OG1-CB 3.42Å; T374-F377 PolarHBondContact OG1-N 2.96Å; T374-F377 VanDerWaalsContact OG1-N 3.15Å; T375-F377 PolarHBondContact O-N 2.77Å; F377-T379 VanDerWaalsContact C-N 3.3Å; F377-T379 PolarHBondContact O-N 3.45Å; F377-S380 PolarHBondContact O-N 2.84Å; F377-S380 VanDerWaalsContact O-N 3.11Å; F377-S380 PolarHBondContact O-OG 3.25Å; F377-L381 HydrophobicContact CD1-CD1 4.21Å; F377-L381 HydrophobicContact CE1-CD1 3.69Å; F377-L381 HydrophobicContact CE1-CG 4.38Å; F377-L381 HydrophobicContact CE2-CD2 4.45Å; F377-L381 HydrophobicContact CZ-CD1 3.93Å; F377-L381 HydrophobicContact CZ-CD2 4.23Å; F377-L381 HydrophobicContact CZ-CG 4.26Å; F377-L381 PolarHBondContact O-N 3.14Å; F377-W389 AromaticContact CD2-NE1 3.91Å; F377-W389 AromaticContact CE2-NE1 3.96Å; F377-V413 HydrophobicContact CD2-CG2 3.79Å; F377-V413 HydrophobicContact CE2-CB 4.41Å; F377-V413 HydrophobicContact CE2-CG1 3.76Å; F377-V413 HydrophobicContact CE2-CG2 3.75Å; F377-V413 HydrophobicContact CZ-CG1 4.1Å
378	H	84.8	Confident	86.2	Confident	107 Å²	107	54.2 Å²	54.2	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-58.8	-38.2	176.3	-68.7	-43.1	0	0	0	113.2	T374 T375 L381 T382	T374-H378 PolarHBondContact O-CD2 3.21Å; T374-H378 PolarHBondContact O-N 3.14Å; T375-H378 PolarHBondContact O-N 3.3Å; H378-L381 PolarHBondContact O-N 2.7Å; H378-T382 PolarHBondContact O-N 3.24Å
379	T	83.5	Confident	86.2	Confident	67 Å²	67	54.3 Å²	54.3	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-39.3	173.8	-61.3	0	0	0	0	112.3	T375 Q376 F377 L381 T382 D383	T375-T379 PolarHBondContact O-N 3.14Å; T375-T379 PolarHBondContact O-OG1 3.28Å; Q376-T379 PolarHBondContact O-N 3.43Å; F377-T379 VanDerWaalsContact C-N 3.3Å; F377-T379 PolarHBondContact O-N 3.45Å; T379-L381 PolarHBondContact O-N 2.9Å; T379-T382 WeakPolarHBondContact CA-OG1 3.23Å; T379-T382 PolarHBondContact O-N 3.14Å; T379-T382 PolarHBondContact O-OG1 3.08Å; T379-D383 VanDerWaalsContact CG2-OD2 3.32Å; T379-D383 WeakPolarHBondContact CG2-OD2 3.42Å; T379-D383 WeakPolarHBondContact O-CB 3.39Å; T379-D383 PolarHBondContact O-N 2.82Å
380	S	83.3	Confident	86.1	Confident	8 Å²	8	53.4 Å²	53.4	6%	0.056	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-31.1	175.9	72.2	0	0	0	0	113.1	Q376 F377 G384 T385 W389	Q376-S380 PolarHBondContact O-N 3.14Å; F377-S380 PolarHBondContact O-N 2.84Å; F377-S380 VanDerWaalsContact O-N 3.11Å; F377-S380 PolarHBondContact O-OG 3.25Å; S380-G384 PolarHBondContact O-N 3.12Å; S380-T385 WeakPolarHBondContact CA-OG1 3.44Å; S380-T385 WeakPolarHBondContact CB-OG1 3.38Å; S380-T385 PolarHBondContact O-N 3.45Å; S380-T385 VanDerWaalsContact O-N 3.14Å; S380-T385 PolarHBondContact O-OG1 3.08Å; S380-W389 PolarHBondContact OG-NE1 2.91Å
381	L	80.6	Confident	86	Confident	78 Å²	78	54.1 Å²	54.1	41%	0.408	31%	0.309	S	S	.	.	H	α-helix	trans	-79.2	-18.2	175.4	-60.3	178.6	0	0	0	114.2	F377 H378 T379 E386	F377-L381 HydrophobicContact CD1-CD1 4.21Å; F377-L381 HydrophobicContact CE1-CD1 3.69Å; F377-L381 HydrophobicContact CE1-CG 4.38Å; F377-L381 HydrophobicContact CE2-CD2 4.45Å; F377-L381 HydrophobicContact CZ-CD1 3.93Å; F377-L381 HydrophobicContact CZ-CD2 4.23Å; F377-L381 HydrophobicContact CZ-CG 4.26Å; F377-L381 PolarHBondContact O-N 3.14Å; H378-L381 PolarHBondContact O-N 2.7Å; T379-L381 PolarHBondContact O-N 2.9Å; L381-E386 HydrophobicContact CD2-CG 4.06Å
382	T	81.3	Confident	85.7	Confident	109 Å²	109	56.6 Å²	56.6	67%	0.669	32%	0.32	S	S	*	.	H	α-helix	trans	-88.6	-32.6	172.4	53.9	0	0	0	0	112.5	H378 T379	H378-T382 PolarHBondContact O-N 3.24Å; T379-T382 WeakPolarHBondContact CA-OG1 3.23Å; T379-T382 PolarHBondContact O-N 3.14Å; T379-T382 PolarHBondContact O-OG1 3.08Å
383	D	83.1	Confident	85.2	Confident	113 Å²	113	59.6 Å²	59.6	60%	0.604	34%	0.34	S	S	*	.	H	α-helix	trans	-92.1	-8.3	-168.5	-64.8	16	0	0	0	112.2	T379	T379-D383 VanDerWaalsContact CG2-OD2 3.32Å; T379-D383 WeakPolarHBondContact CG2-OD2 3.42Å; T379-D383 WeakPolarHBondContact O-CB 3.39Å; T379-D383 PolarHBondContact O-N 2.82Å
384	G	78.3	Confident	84.8	Confident	47 Å²	47	56.2 Å²	56.2	49%	0.485	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	31.5	173.9	0	0	0	0	0	114	S380 E386	S380-G384 PolarHBondContact O-N 3.12Å; G384-E386 WeakPolarHBondContact CA-OE2 3.25Å
385	T	84	Confident	83.7	Confident	36 Å²	36	59.8 Å²	59.8	22%	0.221	36%	0.358	C	S	.	.			trans	-106.6	36.1	179.4	55.8	0	0	0	0	112	S380 D387 F388	S380-T385 WeakPolarHBondContact CA-OG1 3.44Å; S380-T385 WeakPolarHBondContact CB-OG1 3.38Å; S380-T385 PolarHBondContact O-N 3.45Å; S380-T385 VanDerWaalsContact O-N 3.14Å; S380-T385 PolarHBondContact O-OG1 3.08Å; T385-D387 PolarHBondContact O-N 3Å; T385-D387 VanDerWaalsContact O-N 3.16Å; T385-F388 HydrophobicContact CG2-CD1 4.37Å; T385-F388 HydrophobicContact CG2-CE1 4.01Å; T385-F388 HydrophobicContact CG2-CE2 4.37Å; T385-F388 HydrophobicContact CG2-CZ 4.02Å; T385-F388 WeakPolarHBondContact O-CB 3.32Å; T385-F388 PolarHBondContact O-N 2.68Å
386	E	81.2	Confident	82.6	Confident	45 Å²	45	58.6 Å²	58.6	21%	0.21	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-60.4	-23	176.2	-56.5	105.5	126.9	0	0	112.7	L381 G384 F388 W389 S391 L400 P402	L381-E386 HydrophobicContact CD2-CG 4.06Å; G384-E386 WeakPolarHBondContact CA-OE2 3.25Å; E386-F388 PolarHBondContact O-N 3.28Å; E386-W389 PolarHBondContact O-N 2.87Å; E386-S391 PolarHBondContact O-OG 2.8Å; E386-S391 VanDerWaalsContact O-OG 3.09Å; E386-L400 HydrophobicContact CB-CB 4.38Å; E386-P402 HydrophobicContact CB-CG 4.42Å
387	D	85.8	Confident	81.6	Confident	59 Å²	59	61.6 Å²	61.6	32%	0.316	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-72.9	-9.6	176.1	72.2	-39.7	0	0	0	114.5	T385 W389 L400 N416 N419	T385-D387 PolarHBondContact O-N 3Å; T385-D387 VanDerWaalsContact O-N 3.16Å; D387-W389 PolarHBondContact O-N 2.62Å; D387-L400 HydrophobicContact CB-CD1 3.65Å; D387-N416 PolarHBondContact O-ND2 2.92Å; D387-N419 VanDerWaalsContact CG-ND2 3.26Å; D387-N419 PolarHBondContact O-ND2 2.75Å; D387-N419 PolarHBondContact OD2-ND2 2.53Å
388	F	92.4	Very high	80.7	Confident	27 Å²	27	63.9 Å²	63.9	12%	0.118	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-73.5	-16	171.2	-75.2	24.3	0	0	0	112.2	T385 E386 N416 A421 A422 W425	T385-F388 HydrophobicContact CG2-CD1 4.37Å; T385-F388 HydrophobicContact CG2-CE1 4.01Å; T385-F388 HydrophobicContact CG2-CE2 4.37Å; T385-F388 HydrophobicContact CG2-CZ 4.02Å; T385-F388 WeakPolarHBondContact O-CB 3.32Å; T385-F388 PolarHBondContact O-N 2.68Å; E386-F388 PolarHBondContact O-N 3.28Å; F388-N416 WeakPolarHBondContact O-CB 3.33Å; F388-N416 PolarHBondContact O-N 3.33Å; F388-A421 HydrophobicContact CE1-CB 3.71Å; F388-A421 HydrophobicContact CZ-CB 3.97Å; F388-A422 HydrophobicContact CB-CB 3.82Å; F388-A422 HydrophobicContact CD1-CB 3.97Å; F388-A422 HydrophobicContact CD2-CB 4.21Å; F388-A422 HydrophobicContact CG-CB 3.73Å; F388-W425 HydrophobicContact CD2-CB 4.16Å; F388-W425 HydrophobicContact CD2-CD2 4.32Å; F388-W425 HydrophobicContact CD2-CG 4.09Å; F388-W425 HydrophobicContact CE2-CB 3.6Å; F388-W425 HydrophobicContact CE2-CD2 4.43Å; F388-W425 AromaticContact CE2-CG 3.74Å; F388-W425 HydrophobicContact CE2-CG 3.74Å; F388-W425 HydrophobicContact CZ-CB 4.46Å
389	W	93.6	Very high	80.3	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.015	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-108.4	146	-179.7	-49.4	118	0	0	0	110.6	L370 F377 S380 E386 D387 S391 P402 V413 L415 W425	L370-W389 HydrophobicContact CB-CH2 3.82Å; L370-W389 HydrophobicContact CB-CZ3 3.98Å; L370-W389 HydrophobicContact CD2-CH2 3.46Å; L370-W389 VanDerWaalsContact CD2-CH2 3.46Å; L370-W389 HydrophobicContact CD2-CZ2 3.55Å; L370-W389 HydrophobicContact CD2-CZ3 4.43Å; L370-W389 HydrophobicContact CG-CH2 4.28Å; F377-W389 AromaticContact CD2-NE1 3.91Å; F377-W389 AromaticContact CE2-NE1 3.96Å; S380-W389 PolarHBondContact OG-NE1 2.91Å; E386-W389 PolarHBondContact O-N 2.87Å; D387-W389 PolarHBondContact O-N 2.62Å; W389-S391 WeakPolarHBondContact O-CB 3.46Å; W389-S391 PolarHBondContact O-N 3.06Å; W389-S391 PolarHBondContact O-OG 2.9Å; W389-P402 HydrophobicContact CB-CB 3.85Å; W389-P402 HydrophobicContact CB-CG 4.05Å; W389-P402 HydrophobicContact CG-CB 4.4Å; W389-P402 HydrophobicContact CG-CG 4.34Å; W389-V413 HydrophobicContact CB-CB 4.17Å; W389-V413 HydrophobicContact CB-CG2 4.43Å; W389-V413 HydrophobicContact CD2-CB 4.17Å; W389-V413 HydrophobicContact CD2-CG2 3.47Å; W389-V413 VanDerWaalsContact CD2-CG2 3.47Å; W389-V413 HydrophobicContact CE3-CB 4.19Å; W389-V413 HydrophobicContact CE3-CG2 3.51Å; W389-V413 HydrophobicContact CG-CB 4.13Å; W389-V413 HydrophobicContact CG-CG2 3.86Å; W389-V413 HydrophobicContact CZ3-CG2 4.09Å; W389-L415 HydrophobicContact CE3-CD1 4.42Å; W389-L415 HydrophobicContact CZ3-CD1 3.92Å; W389-W425 AromaticContact CH2-CH2 3.86Å; W389-W425 HydrophobicContact CH2-CH2 3.86Å; W389-W425 AromaticContact CH2-CZ3 3.89Å; W389-W425 HydrophobicContact CH2-CZ3 3.89Å; W389-W425 HydrophobicContact CZ3-CZ3 4.49Å
390	L	92.9	Very high	80.3	Confident	6 Å²	6	64.6 Å²	64.6	3%	0.031	40%	0.4	C	S	.	.			trans	-56.2	118.2	171.4	-69.9	-174.9	0	0	0	108.7	V403 K414 N416 L451 F452 L463 Y468	L390-V403 WeakPolarHBondContact O-CB 3.48Å; L390-V403 PolarHBondContact O-N 2.93Å; L390-K414 HydrophobicContact CD1-CB 4.09Å; L390-K414 HydrophobicContact CD1-CD 4.33Å; L390-K414 HydrophobicContact CD1-CG 4.26Å; L390-K414 PolarHBondContact N-O 3.11Å; L390-N416 HydrophobicContact CD2-CB 4.17Å; L390-L451 HydrophobicContact CB-CD2 4.26Å; L390-L451 HydrophobicContact CD1-CD2 4.03Å; L390-F452 HydrophobicContact CB-CZ 4.26Å; L390-F452 HydrophobicContact CD1-CE2 4.19Å; L390-F452 HydrophobicContact CD2-CE2 4.34Å; L390-L463 HydrophobicContact CD2-CD1 3.53Å; L390-Y468 HydrophobicContact CD1-CD2 4.3Å; L390-Y468 HydrophobicContact CD1-CE2 3.98Å; L390-Y468 HydrophobicContact CD2-CE2 4.47Å; L390-Y468 HydrophobicContact CG-CE2 4.47Å
391	S	89.7	Confident	80.5	Confident	22 Å²	22	68.7 Å²	68.7	15%	0.154	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.1	-163	-70.4	0	0	0	0	113.1	E386 W389 I401 P402	E386-S391 PolarHBondContact O-OG 2.8Å; E386-S391 VanDerWaalsContact O-OG 3.09Å; W389-S391 WeakPolarHBondContact O-CB 3.46Å; W389-S391 PolarHBondContact O-N 3.06Å; W389-S391 PolarHBondContact O-OG 2.9Å; S391-I401 CarbonylContact C-O 3.57Å; S391-I401 VanDerWaalsContact CA-O 3.26Å; S391-I401 WeakPolarHBondContact CA-O 3.29Å; S391-I401 WeakPolarHBondContact CB-O 3.48Å; S391-P402 WeakPolarHBondContact OG-CA 3.41Å
392	L	86.1	Confident	81	Confident	64 Å²	64	65.9 Å²	65.9	34%	0.335	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.7	171.9	-65	174	0	0	0	111.5	S394 I401 V403 F452 L457	L392-S394 PolarHBondContact O-N 2.75Å; L392-I401 PolarHBondContact N-O 3Å; L392-I401 PolarHBondContact O-N 3.29Å; L392-V403 HydrophobicContact CD1-CG2 4.27Å; L392-V403 HydrophobicContact CG-CG2 3.84Å; L392-F452 HydrophobicContact CD2-CD1 4.44Å; L392-F452 HydrophobicContact CD2-CE1 4.08Å; L392-L457 HydrophobicContact CD1-CD1 4.09Å; L392-L457 HydrophobicContact CD1-CD2 4.02Å
393	P	81.7	Confident	81.5	Confident	100 Å²	100	61 Å²	61	65%	0.649	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	124	174.4	29.8	-33.9	0	0	0	111.6	A395	P393-A395 PolarHBondContact O-N 2.93Å
394	S	77.8	Confident	81.9	Confident	31 Å²	31	59.9 Å²	59.9	22%	0.217	37%	0.371	C	S	.	.			trans	-73.6	114.3	175.7	-175.1	0	0	0	0	111.6	L392 A396 Q397 G398 K399	L392-S394 PolarHBondContact O-N 2.75Å; S394-A396 PolarHBondContact O-N 3Å; S394-Q397 PolarHBondContact O-N 2.82Å; S394-G398 PolarHBondContact O-N 3.13Å; S394-K399 WeakPolarHBondContact CA-O 3.42Å; S394-K399 WeakPolarHBondContact CB-O 3.26Å; S394-K399 PolarHBondContact N-O 2.69Å
395	A	62.8	Low	82.6	Confident	115 Å²	115	58.9 Å²	58.9	95%	0.95	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-16.5	-177.5	0	0	0	0	0	115.2	P393	P393-A395 PolarHBondContact O-N 2.93Å
396	A	62	Low	82.8	Confident	87 Å²	87	63.4 Å²	63.4	72%	0.719	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-28	-177.6	0	0	0	0	0	114.6	S394	S394-A396 PolarHBondContact O-N 3Å
397	Q	61.8	Low	83.2	Confident	152 Å²	152	62.8 Å²	62.8	71%	0.71	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	-1.6	-167.5	-67.1	-171	-6.6	0	0	115.4	S394 K399	S394-Q397 PolarHBondContact O-N 2.82Å; Q397-K399 HydrophobicContact CB-CG 4.34Å; Q397-K399 PolarHBondContact O-N 3.18Å; Q397-K399 VanDerWaalsContact O-N 3.17Å
398	G	68.4	Low	83.2	Confident	64 Å²	64	66.5 Å²	66.5	66%	0.66	38%	0.38	S	S	*	.	S	Bend	trans	72.2	-0.1	-176.8	0	0	0	0	0	115	S394	S394-G398 PolarHBondContact O-N 3.13Å
399	K	76.8	Confident	82.8	Confident	121 Å²	121	68.1 Å²	68.1	53%	0.526	40%	0.403	S	S	.	.			trans	-62.7	144.2	167.9	-68.4	-167.3	168.2	-148.8	0	110.8	S394 Q397	S394-K399 WeakPolarHBondContact CA-O 3.42Å; S394-K399 WeakPolarHBondContact CB-O 3.26Å; S394-K399 PolarHBondContact N-O 2.69Å; Q397-K399 HydrophobicContact CB-CG 4.34Å; Q397-K399 PolarHBondContact O-N 3.18Å; Q397-K399 VanDerWaalsContact O-N 3.17Å
400	L	83.8	Confident	82.6	Confident	68 Å²	68	74.2 Å²	74.2	36%	0.356	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	148.7	169.3	-69	174.5	0	0	0	110.5	E386 D387	E386-L400 HydrophobicContact CB-CB 4.38Å; D387-L400 HydrophobicContact CB-CD1 3.65Å
401	I	86.9	Confident	82.7	Confident	94 Å²	94	80.2 Å²	80.2	48%	0.482	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.2	173.2	-60.5	176.9	0	0	0	107.3	S391 L392 V403	S391-I401 CarbonylContact C-O 3.57Å; S391-I401 VanDerWaalsContact CA-O 3.26Å; S391-I401 WeakPolarHBondContact CA-O 3.29Å; S391-I401 WeakPolarHBondContact CB-O 3.48Å; L392-I401 PolarHBondContact N-O 3Å; L392-I401 PolarHBondContact O-N 3.29Å; I401-V403 PolarHBondContact O-N 3.27Å
402	P	90.9	Very high	82.9	Confident	19 Å²	19	79.4 Å²	79.4	12%	0.123	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	134	175.9	-28.9	37	0	0	0	112.9	E386 W389 S391 L404 V413	E386-P402 HydrophobicContact CB-CG 4.42Å; W389-P402 HydrophobicContact CB-CB 3.85Å; W389-P402 HydrophobicContact CB-CG 4.05Å; W389-P402 HydrophobicContact CG-CB 4.4Å; W389-P402 HydrophobicContact CG-CG 4.34Å; S391-P402 WeakPolarHBondContact OG-CA 3.41Å; P402-L404 PolarHBondContact O-N 2.78Å; P402-V413 HydrophobicContact CB-CG1 3.67Å
403	V	91.4	Very high	83.2	Confident	7 Å²	7	76.4 Å²	76.4	4%	0.042	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-76.7	117.3	174.8	-177.6	0	0	0	0	108.4	L390 L392 I401 L451 F452 L457	L390-V403 WeakPolarHBondContact O-CB 3.48Å; L390-V403 PolarHBondContact O-N 2.93Å; L392-V403 HydrophobicContact CD1-CG2 4.27Å; L392-V403 HydrophobicContact CG-CG2 3.84Å; I401-V403 PolarHBondContact O-N 3.27Å; V403-L451 HydrophobicContact CB-CD2 4.02Å; V403-L451 HydrophobicContact CG1-CD1 4.05Å; V403-L451 HydrophobicContact CG1-CD2 3.84Å; V403-L451 HydrophobicContact CG1-CG 3.86Å; V403-F452 HydrophobicContact CG2-CE1 4.26Å; V403-L457 HydrophobicContact CG1-CD1 4.16Å; V403-L457 HydrophobicContact CG2-CD1 4.45Å
404	L	91.9	Very high	83.9	Confident	89 Å²	89	71.9 Å²	71.9	47%	0.466	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	141.6	176.2	-60.6	-175.2	0	0	0	110.5	V372 P402 V413 Q455	V372-L404 HydrophobicContact CG1-CD2 3.74Å; P402-L404 PolarHBondContact O-N 2.78Å; L404-V413 HydrophobicContact CD2-CG1 3.8Å; L404-Q455 PolarHBondContact O-NE2 2.73Å
405	T	91.8	Very high	84.7	Confident	26 Å²	26	70.4 Å²	70.4	16%	0.16	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	178.7	173.7	-166.5	0	0	0	0	111.1	F369 F411 C412 L451	F369-T405 HydrophobicContact CD1-CG2 4.08Å; F369-T405 HydrophobicContact CE1-CG2 3.71Å; T405-F411 WeakPolarHBondContact O-CA 3.45Å; T405-C412 PolarHBondContact N-O 3.33Å; T405-C412 PolarHBondContact O-N 3.15Å; T405-L451 HydrophobicContact CG2-CD1 4.2Å
406	Q	89.9	Confident	86.2	Confident	132 Å²	132	66 Å²	66	62%	0.617	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	114.1	177.4	-172.5	178.3	-68.3	0	0	110.6	R410	Q406-R410 CarbonylContact C-O 3.53Å; Q406-R410 VanDerWaalsContact CA-O 3.3Å; Q406-R410 WeakPolarHBondContact CA-O 3.37Å
407	W	89.4	Confident	87.8	Confident	32 Å²	32	62.4 Å²	62.4	12%	0.121	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.9	172	178.8	-115.5	0	0	0	109.4	E325 F369 G409 R410 C412 E445	E325-W407 PolarHBondContact OE1-NE1 2.87Å; E325-W407 PolarHBondContact OE2-NE1 3.03Å; F369-W407 HydrophobicContact CB-CB 4.24Å; F369-W407 HydrophobicContact CB-CG 4.12Å; F369-W407 HydrophobicContact CD1-CB 4.19Å; F369-W407 HydrophobicContact CD2-CB 3.97Å; F369-W407 AromaticContact CD2-CD1 3.75Å; F369-W407 AromaticContact CD2-CD2 3.38Å; F369-W407 HydrophobicContact CD2-CD2 3.38Å; F369-W407 AromaticContact CD2-CE2 3.66Å; F369-W407 AromaticContact CD2-CE3 3.84Å; F369-W407 HydrophobicContact CD2-CE3 3.84Å; F369-W407 AromaticContact CD2-CG 3.45Å; F369-W407 HydrophobicContact CD2-CG 3.45Å; F369-W407 VanDerWaalsContact CD2-CG 3.45Å; F369-W407 HydrophobicContact CD2-CZ2 4.3Å; F369-W407 HydrophobicContact CD2-CZ3 4.46Å; F369-W407 AromaticContact CD2-NE1 3.86Å; F369-W407 HydrophobicContact CE2-CB 4.34Å; F369-W407 AromaticContact CE2-CD2 3.47Å; F369-W407 HydrophobicContact CE2-CD2 3.47Å; F369-W407 VanDerWaalsContact CE2-CD2 3.47Å; F369-W407 AromaticContact CE2-CE2 3.97Å; F369-W407 AromaticContact CE2-CE3 3.37Å; F369-W407 HydrophobicContact CE2-CE3 3.37Å; F369-W407 AromaticContact CE2-CG 3.93Å; F369-W407 HydrophobicContact CE2-CG 3.93Å; F369-W407 HydrophobicContact CE2-CH2 4.26Å; F369-W407 HydrophobicContact CE2-CZ2 4.34Å; F369-W407 AromaticContact CE2-CZ3 3.8Å; F369-W407 HydrophobicContact CE2-CZ3 3.8Å; F369-W407 HydrophobicContact CG-CB 3.88Å; F369-W407 HydrophobicContact CG-CD2 4.21Å; F369-W407 AromaticContact CG-CG 3.8Å; F369-W407 HydrophobicContact CG-CG 3.8Å; F369-W407 HydrophobicContact CZ-CD2 4.35Å; F369-W407 HydrophobicContact CZ-CE3 4.03Å; W407-G409 PolarHBondContact O-N 2.89Å; W407-R410 PolarHBondContact N-O 2.86Å; W407-R410 PolarHBondContact O-N 3.11Å; W407-C412 HydrophobicContact CB-CB 4.26Å; W407-E445 HydrophobicContact CZ2-CB 4.43Å
408	R	84.3	Confident	89.3	Confident	137 Å²	137	58.5 Å²	58.5	52%	0.517	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	34.6	177.5	-65.6	-179.9	162.1	156	-0.8	114.4	E325 E445	E325-R408 WeakPolarHBondContact OE2-CD 3.28Å; E325-R408 IonicContact OE2-CZ 2.71Å; E325-R408 IonicContact OE2-NE 3.96Å; E325-R408 IonicContact OE2-NH1 3.67Å; E325-R408 PolarHBondContact OE2-NH1 2.84Å; R408-E445 IonicContact CZ-OE2 3.73Å; R408-E445 IonicContact NH1-OE2 2.66Å; R408-E445 PolarHBondContact NH1-OE2 2.58Å; R408-E445 IonicContact NH2-OE2 3.94Å; R408-E445 PolarHBondContact NH2-OE2 2.85Å
409	G	85.6	Confident	90.5	Very high	60 Å²	60	56.3 Å²	56.3	62%	0.619	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	10	180	0	0	0	0	0	115.6	W407	W407-G409 PolarHBondContact O-N 2.89Å
410	R	89.6	Confident	91.4	Very high	132 Å²	132	55.5 Å²	55.5	50%	0.498	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.3	172.6	-55.4	-168.4	-165.6	-174.1	11.3	111	D373 Q406 W407	D373-R410 IonicContact OD2-NH1 3.37Å; Q406-R410 CarbonylContact C-O 3.53Å; Q406-R410 VanDerWaalsContact CA-O 3.3Å; Q406-R410 WeakPolarHBondContact CA-O 3.37Å; W407-R410 PolarHBondContact N-O 2.86Å; W407-R410 PolarHBondContact O-N 3.11Å
411	F	93.5	Very high	91.9	Very high	132 Å²	132	54.6 Å²	54.6	58%	0.579	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.6	170.6	-69.7	-70.1	0	0	0	110.3	V372 T405	V372-F411 HydrophobicContact CG2-CB 3.77Å; V372-F411 PolarHBondContact N-O 3.19Å; T405-F411 WeakPolarHBondContact O-CA 3.45Å
412	C	93.9	Very high	92.2	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	165.5	-174.8	-63.5	0	0	0	0	111.7	F369 L370 T405 W407	F369-C412 HydrophobicContact CB-CB 4.1Å; F369-C412 HydrophobicContact CD1-CB 4.27Å; L370-C412 CarbonylContact O-C 3.54Å; L370-C412 WeakPolarHBondContact O-CA 3.33Å; L370-C412 WeakPolarHBondContact O-CB 3.1Å; T405-C412 PolarHBondContact N-O 3.33Å; T405-C412 PolarHBondContact O-N 3.15Å; W407-C412 HydrophobicContact CB-CB 4.26Å
413	V	93.9	Very high	92.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	148.3	161.8	-71.5	0	0	0	0	109.6	F369 L370 V372 F377 W389 P402 L404	F369-V413 VanDerWaalsContact CA-O 3.29Å; F369-V413 WeakPolarHBondContact CA-O 3.3Å; L370-V413 HydrophobicContact CB-CG2 4.16Å; L370-V413 PolarHBondContact N-O 3.46Å; L370-V413 PolarHBondContact O-N 3.39Å; V372-V413 HydrophobicContact CG1-CG1 4.46Å; F377-V413 HydrophobicContact CD2-CG2 3.79Å; F377-V413 HydrophobicContact CE2-CB 4.41Å; F377-V413 HydrophobicContact CE2-CG1 3.76Å; F377-V413 HydrophobicContact CE2-CG2 3.75Å; F377-V413 HydrophobicContact CZ-CG1 4.1Å; W389-V413 HydrophobicContact CB-CB 4.17Å; W389-V413 HydrophobicContact CB-CG2 4.43Å; W389-V413 HydrophobicContact CD2-CB 4.17Å; W389-V413 HydrophobicContact CD2-CG2 3.47Å; W389-V413 VanDerWaalsContact CD2-CG2 3.47Å; W389-V413 HydrophobicContact CE3-CB 4.19Å; W389-V413 HydrophobicContact CE3-CG2 3.51Å; W389-V413 HydrophobicContact CG-CB 4.13Å; W389-V413 HydrophobicContact CG-CG2 3.86Å; W389-V413 HydrophobicContact CZ3-CG2 4.09Å; P402-V413 HydrophobicContact CB-CG1 3.67Å; L404-V413 HydrophobicContact CD2-CG1 3.8Å
414	K	95	Very high	92.7	Very high	5 Å²	5	53.2 Å²	53.2	2%	0.022	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.1	176.3	-162.6	170.6	-178	172.6	0	109.1	P368 F369 L390 G446 G447 E448 G449 L451 Y468	P368-K414 HydrophobicContact CG-CG 4.38Å; P368-K414 CarbonylContact O-C 3.58Å; F369-K414 HydrophobicContact CD1-CB 3.86Å; F369-K414 HydrophobicContact CD1-CG 4.02Å; F369-K414 HydrophobicContact CE1-CB 3.65Å; F369-K414 HydrophobicContact CE1-CD 3.65Å; F369-K414 HydrophobicContact CE1-CG 3.59Å; F369-K414 HydrophobicContact CZ-CD 3.78Å; F369-K414 HydrophobicContact CZ-CG 4.08Å; L390-K414 HydrophobicContact CD1-CB 4.09Å; L390-K414 HydrophobicContact CD1-CD 4.33Å; L390-K414 HydrophobicContact CD1-CG 4.26Å; L390-K414 PolarHBondContact N-O 3.11Å; K414-G446 WeakPolarHBondContact CE-O 3.47Å; K414-G446 PolarHBondContact NZ-O 2.79Å; K414-G447 PolarHBondContact NZ-O 3.16Å; K414-E448 PolarHBondContact NZ-O 2.77Å; K414-G449 PolarHBondContact NZ-O 3.32Å; K414-L451 HydrophobicContact CB-CD2 4.1Å; K414-Y468 HydrophobicContact CD-CE1 4.36Å; K414-Y468 HydrophobicContact CG-CE2 4.46Å
415	L	95.4	Very high	92.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-62.1	138.8	-176.3	-174.1	73.3	0	0	0	111.7	P368 W389 L417 A422 W425 F426 Y468 M475	P368-L415 HydrophobicContact CB-CB 3.96Å; P368-L415 WeakPolarHBondContact O-CB 3.46Å; P368-L415 PolarHBondContact O-N 2.94Å; W389-L415 HydrophobicContact CE3-CD1 4.42Å; W389-L415 HydrophobicContact CZ3-CD1 3.92Å; L415-L417 HydrophobicContact CD2-CD2 3.84Å; L415-L417 HydrophobicContact CG-CD2 4.37Å; L415-L417 PolarHBondContact O-N 3.44Å; L415-A422 HydrophobicContact CD1-CB 4.07Å; L415-W425 HydrophobicContact CD1-CE3 4.16Å; L415-W425 HydrophobicContact CD1-CZ3 4.17Å; L415-F426 HydrophobicContact CD2-CB 3.68Å; L415-F426 HydrophobicContact CD2-CD2 3.79Å; L415-F426 HydrophobicContact CD2-CG 3.81Å; L415-Y468 VanDerWaalsContact O-CE2 3.25Å; L415-Y468 WeakPolarHBondContact O-CE2 3.25Å; L415-Y468 PolarHBondContact O-OH 2.87Å; L415-M475 HydrophobicContact CD2-SD 4.44Å
416	N	94.7	Very high	92.8	Very high	23 Å²	23	51.8 Å²	51.8	12%	0.123	27%	0.273	C	S	.	.			trans	-86.1	90.4	178.9	-174.8	14.2	0	0	0	112.2	D387 F388 L390 T418 N419	D387-N416 PolarHBondContact O-ND2 2.92Å; F388-N416 WeakPolarHBondContact O-CB 3.33Å; F388-N416 PolarHBondContact O-N 3.33Å; L390-N416 HydrophobicContact CD2-CB 4.17Å; N416-T418 PolarHBondContact O-N 2.85Å; N416-T418 PolarHBondContact OD1-N 3.36Å; N416-T418 PolarHBondContact OD1-OG1 2.78Å; N416-N419 HydrophobicContact CB-CB 4.37Å; N416-N419 WeakPolarHBondContact O-CB 3.37Å; N416-N419 PolarHBondContact O-N 2.72Å
417	L	95	Very high	93	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.5	-179.5	-59.2	177.2	0	0	0	114.3	L415 N419 V423 Y468 L471 L472 M475	L415-L417 HydrophobicContact CD2-CD2 3.84Å; L415-L417 HydrophobicContact CG-CD2 4.37Å; L415-L417 PolarHBondContact O-N 3.44Å; L417-N419 PolarHBondContact O-N 3.4Å; L417-V423 HydrophobicContact CD2-CG2 4.13Å; L417-Y468 HydrophobicContact CB-CE2 4.38Å; L417-Y468 HydrophobicContact CD1-CD1 4.07Å; L417-Y468 HydrophobicContact CD1-CD2 4.25Å; L417-Y468 HydrophobicContact CD1-CE1 3.59Å; L417-Y468 HydrophobicContact CD1-CE2 3.82Å; L417-Y468 HydrophobicContact CD1-CG 4.36Å; L417-Y468 VanDerWaalsContact CD1-CZ 3.45Å; L417-Y468 HydrophobicContact CG-CE1 4.36Å; L417-Y468 HydrophobicContact CG-CE2 3.86Å; L417-L471 HydrophobicContact CB-CB 3.86Å; L417-L471 HydrophobicContact CB-CD1 4.22Å; L417-L471 HydrophobicContact CD1-CB 4.04Å; L417-L472 HydrophobicContact CD1-CB 3.78Å; L417-L472 HydrophobicContact CD1-CD1 3.83Å; L417-L472 HydrophobicContact CD1-CG 4.43Å; L417-M475 HydrophobicContact CD2-CE 4.49Å; L417-M475 HydrophobicContact CD2-SD 3.78Å
418	T	94	Very high	93.2	Very high	70 Å²	70	50.3 Å²	50.3	43%	0.429	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.5	172	86.8	0	0	0	0	112.7	N416 A462 L463 L471	N416-T418 PolarHBondContact O-N 2.85Å; N416-T418 PolarHBondContact OD1-N 3.36Å; N416-T418 PolarHBondContact OD1-OG1 2.78Å; T418-A462 HydrophobicContact CG2-CB 4.36Å; T418-L463 HydrophobicContact CG2-CD1 4.07Å; T418-L463 HydrophobicContact CG2-CD2 3.7Å; T418-L463 HydrophobicContact CG2-CG 3.81Å; T418-L471 HydrophobicContact CG2-CD1 4.05Å
419	N	93.7	Very high	93.4	Very high	19 Å²	19	46.7 Å²	46.7	10%	0.102	26%	0.258	C	S	.	.			trans	-109.8	108.4	179.5	-175.2	-8.7	0	0	0	110.1	D387 N416 L417 A421 A422 V423	D387-N419 VanDerWaalsContact CG-ND2 3.26Å; D387-N419 PolarHBondContact O-ND2 2.75Å; D387-N419 PolarHBondContact OD2-ND2 2.53Å; N416-N419 HydrophobicContact CB-CB 4.37Å; N416-N419 WeakPolarHBondContact O-CB 3.37Å; N416-N419 PolarHBondContact O-N 2.72Å; L417-N419 PolarHBondContact O-N 3.4Å; N419-A421 PolarHBondContact O-N 3.23Å; N419-A421 PolarHBondContact OD1-N 3.39Å; N419-A421 VanDerWaalsContact OD1-N 3.17Å; N419-A422 HydrophobicContact CB-CB 3.92Å; N419-A422 WeakPolarHBondContact O-CB 3.42Å; N419-A422 PolarHBondContact O-N 3.5Å; N419-V423 PolarHBondContact O-N 3.35Å; N419-V423 VanDerWaalsContact O-N 3.09Å
420	P	94.9	Very high	93.7	Very high	104 Å²	104	43.9 Å²	43.9	68%	0.675	23%	0.229	S	C	*	.	H	α-helix	trans	-64.4	-24	-176	26.1	-34.5	0	0	0	113.3	S424	P420-S424 WeakPolarHBondContact O-CB 3.39Å; P420-S424 PolarHBondContact O-N 3.11Å
421	A	94.3	Very high	93.7	Very high	48 Å²	48	43.8 Å²	43.8	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-70.5	-36.4	174	0	0	0	0	0	112	F388 N419 W425	F388-A421 HydrophobicContact CE1-CB 3.71Å; F388-A421 HydrophobicContact CZ-CB 3.97Å; N419-A421 PolarHBondContact O-N 3.23Å; N419-A421 PolarHBondContact OD1-N 3.39Å; N419-A421 VanDerWaalsContact OD1-N 3.17Å; A421-W425 WeakPolarHBondContact O-CB 3.33Å; A421-W425 PolarHBondContact O-N 2.86Å
422	A	94.3	Very high	93.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70.8	-38.9	176.1	0	0	0	0	0	112	F388 L415 N419 W425 F426	F388-A422 HydrophobicContact CB-CB 3.82Å; F388-A422 HydrophobicContact CD1-CB 3.97Å; F388-A422 HydrophobicContact CD2-CB 4.21Å; F388-A422 HydrophobicContact CG-CB 3.73Å; L415-A422 HydrophobicContact CD1-CB 4.07Å; N419-A422 HydrophobicContact CB-CB 3.92Å; N419-A422 WeakPolarHBondContact O-CB 3.42Å; N419-A422 PolarHBondContact O-N 3.5Å; A422-W425 PolarHBondContact O-N 2.71Å; A422-F426 PolarHBondContact O-N 3.2Å
423	V	96.1	Very high	93.2	Very high	30 Å²	30	41.6 Å²	41.6	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-48.5	172.4	177.2	0	0	0	0	110.5	L417 N419 W425 F426 L427 M475	L417-V423 HydrophobicContact CD2-CG2 4.13Å; N419-V423 PolarHBondContact O-N 3.35Å; N419-V423 VanDerWaalsContact O-N 3.09Å; V423-W425 PolarHBondContact O-N 3.05Å; V423-F426 PolarHBondContact O-N 3.23Å; V423-F426 VanDerWaalsContact O-N 3.12Å; V423-L427 HydrophobicContact CG1-CD1 4.05Å; V423-L427 HydrophobicContact CG1-CG 4.44Å; V423-L427 WeakPolarHBondContact O-CG 3.48Å; V423-L427 PolarHBondContact O-N 3.44Å; V423-M475 HydrophobicContact CG1-CG 4.02Å; V423-M475 HydrophobicContact CG1-SD 4.31Å
424	S	95.2	Very high	92.8	Very high	61 Å²	61	44 Å²	44	43%	0.427	25%	0.245	S	C	.	.	H	α-helix	trans	-56.7	-46.9	175.8	-167.5	0	0	0	0	111.9	P420 F426 L427 D428	P420-S424 WeakPolarHBondContact O-CB 3.39Å; P420-S424 PolarHBondContact O-N 3.11Å; S424-F426 VanDerWaalsContact C-N 3.27Å; S424-F426 PolarHBondContact O-N 2.76Å; S424-L427 PolarHBondContact O-N 3.07Å; S424-L427 VanDerWaalsContact O-N 3.16Å; S424-D428 PolarHBondContact O-N 3.35Å
425	W	91.9	Very high	92.4	Very high	79 Å²	79	47.1 Å²	47.1	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-59.7	-35.6	177.2	172	88.1	0	0	0	113.2	F388 W389 L415 A421 A422 V423 R429	F388-W425 HydrophobicContact CD2-CB 4.16Å; F388-W425 HydrophobicContact CD2-CD2 4.32Å; F388-W425 HydrophobicContact CD2-CG 4.09Å; F388-W425 HydrophobicContact CE2-CB 3.6Å; F388-W425 HydrophobicContact CE2-CD2 4.43Å; F388-W425 AromaticContact CE2-CG 3.74Å; F388-W425 HydrophobicContact CE2-CG 3.74Å; F388-W425 HydrophobicContact CZ-CB 4.46Å; W389-W425 AromaticContact CH2-CH2 3.86Å; W389-W425 HydrophobicContact CH2-CH2 3.86Å; W389-W425 AromaticContact CH2-CZ3 3.89Å; W389-W425 HydrophobicContact CH2-CZ3 3.89Å; W389-W425 HydrophobicContact CZ3-CZ3 4.49Å; L415-W425 HydrophobicContact CD1-CE3 4.16Å; L415-W425 HydrophobicContact CD1-CZ3 4.17Å; A421-W425 WeakPolarHBondContact O-CB 3.33Å; A421-W425 PolarHBondContact O-N 2.86Å; A422-W425 PolarHBondContact O-N 2.71Å; V423-W425 PolarHBondContact O-N 3.05Å; W425-R429 PolarHBondContact O-N 2.89Å
426	F	93.8	Very high	91.7	Very high	7 Å²	7	50.2 Å²	50.2	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-71.6	-42.6	175	-171.6	-89.3	0	0	0	111.5	L366 S367 L415 A422 V423 S424 R429 V430 L444 M475	L366-F426 HydrophobicContact CB-CZ 4.32Å; L366-F426 HydrophobicContact CD1-CZ 4.42Å; S367-F426 WeakPolarHBondContact O-CE2 3.36Å; L415-F426 HydrophobicContact CD2-CB 3.68Å; L415-F426 HydrophobicContact CD2-CD2 3.79Å; L415-F426 HydrophobicContact CD2-CG 3.81Å; A422-F426 PolarHBondContact O-N 3.2Å; V423-F426 PolarHBondContact O-N 3.23Å; V423-F426 VanDerWaalsContact O-N 3.12Å; S424-F426 VanDerWaalsContact C-N 3.27Å; S424-F426 PolarHBondContact O-N 2.76Å; F426-R429 WeakPolarHBondContact O-CB 3.49Å; F426-R429 PolarHBondContact O-N 3.41Å; F426-V430 HydrophobicContact CD1-CG2 3.87Å; F426-V430 HydrophobicContact CE1-CG2 3.61Å; F426-V430 HydrophobicContact CZ-CG2 4.39Å; F426-V430 WeakPolarHBondContact O-CG2 3.26Å; F426-V430 PolarHBondContact O-N 2.86Å; F426-L444 HydrophobicContact CE1-CD2 4.35Å; F426-L444 HydrophobicContact CZ-CD2 4.44Å; F426-M475 HydrophobicContact CB-SD 4.38Å; F426-M475 HydrophobicContact CD1-CE 3.5Å; F426-M475 HydrophobicContact CD1-SD 3.57Å; F426-M475 VanDerWaalsContact CD1-SD 3.57Å; F426-M475 HydrophobicContact CE1-CE 3.41Å; F426-M475 VanDerWaalsContact CE1-CE 3.41Å; F426-M475 HydrophobicContact CE1-SD 4.15Å; F426-M475 HydrophobicContact CG-CE 4.37Å; F426-M475 HydrophobicContact CG-SD 4.16Å; F426-M475 HydrophobicContact CZ-CE 4.21Å
427	L	94.9	Very high	91.1	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.199	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176.2	-66.7	173.7	0	0	0	111.8	V423 S424 R429 V430 E431 M475 I479	V423-L427 HydrophobicContact CG1-CD1 4.05Å; V423-L427 HydrophobicContact CG1-CG 4.44Å; V423-L427 WeakPolarHBondContact O-CG 3.48Å; V423-L427 PolarHBondContact O-N 3.44Å; S424-L427 PolarHBondContact O-N 3.07Å; S424-L427 VanDerWaalsContact O-N 3.16Å; L427-R429 PolarHBondContact O-N 2.89Å; L427-V430 WeakPolarHBondContact O-CA 3.24Å; L427-V430 WeakPolarHBondContact O-CB 3.3Å; L427-V430 PolarHBondContact O-N 3.44Å; L427-E431 PolarHBondContact O-N 2.95Å; L427-M475 HydrophobicContact CD2-CG 4.02Å; L427-M475 HydrophobicContact CG-CG 4.45Å; L427-I479 HydrophobicContact CD2-CD1 4.23Å; L427-I479 HydrophobicContact CD2-CG1 3.53Å
428	D	92.4	Very high	90.3	Very high	95 Å²	95	50.8 Å²	50.8	51%	0.508	30%	0.299	S	S	.	.	H	α-helix	trans	-53.5	-39.3	173	-67.9	-33.5	0	0	0	111.6	S424 S432	S424-D428 PolarHBondContact O-N 3.35Å; D428-S432 VanDerWaalsContact O-CB 3.28Å; D428-S432 WeakPolarHBondContact O-CB 3.27Å; D428-S432 PolarHBondContact O-N 2.93Å
429	R	89.2	Confident	89.7	Confident	60 Å²	60	48.2 Å²	48.2	23%	0.226	28%	0.282	C	S	.	.	H	α-helix	trans	-70.3	-39.2	175.8	-176.7	-177.6	178	-168.5	-0.3	111.9	W425 F426 L427 S432 L433	W425-R429 PolarHBondContact O-N 2.89Å; F426-R429 WeakPolarHBondContact O-CB 3.49Å; F426-R429 PolarHBondContact O-N 3.41Å; L427-R429 PolarHBondContact O-N 2.89Å; R429-S432 PolarHBondContact O-N 2.77Å; R429-L433 HydrophobicContact CG-CD1 4.4Å; R429-L433 VanDerWaalsContact O-CG 3.26Å; R429-L433 WeakPolarHBondContact O-CG 3.49Å; R429-L433 PolarHBondContact O-N 3.4Å
430	V	91.6	Very high	89.3	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-48.7	175.6	177.2	0	0	0	0	110.7	L366 F426 L427 S432 L433 Q434 V442 I479	L366-V430 HydrophobicContact CD1-CG2 3.77Å; F426-V430 HydrophobicContact CD1-CG2 3.87Å; F426-V430 HydrophobicContact CE1-CG2 3.61Å; F426-V430 HydrophobicContact CZ-CG2 4.39Å; F426-V430 WeakPolarHBondContact O-CG2 3.26Å; F426-V430 PolarHBondContact O-N 2.86Å; L427-V430 WeakPolarHBondContact O-CA 3.24Å; L427-V430 WeakPolarHBondContact O-CB 3.3Å; L427-V430 PolarHBondContact O-N 3.44Å; V430-S432 VanDerWaalsContact C-N 3.32Å; V430-S432 PolarHBondContact O-N 3.49Å; V430-L433 PolarHBondContact O-N 3.01Å; V430-L433 VanDerWaalsContact O-N 3.16Å; V430-Q434 HydrophobicContact CG1-CG 4.4Å; V430-Q434 WeakPolarHBondContact O-CG 3.36Å; V430-Q434 PolarHBondContact O-N 3.34Å; V430-V442 HydrophobicContact CG1-CG2 4.47Å; V430-I479 HydrophobicContact CG1-CD1 4.18Å; V430-I479 HydrophobicContact CG1-CG1 4.06Å; V430-I479 HydrophobicContact CG1-CG2 3.72Å; V430-I479 HydrophobicContact CG2-CD1 3.99Å; V430-I479 HydrophobicContact CG2-CG1 4.45Å
431	E	90.6	Very high	89.2	Confident	129 Å²	129	46 Å²	46	60%	0.603	26%	0.262	S	S	*	.	H	α-helix	trans	-58.1	-44.5	175.8	-73	-166.8	-170.9	0	0	111.5	L427 L433 Q434 A435	L427-E431 PolarHBondContact O-N 2.95Å; E431-L433 VanDerWaalsContact C-N 3.31Å; E431-L433 PolarHBondContact O-N 2.9Å; E431-Q434 PolarHBondContact O-N 3.39Å; E431-A435 VanDerWaalsContact O-CB 3.31Å; E431-A435 WeakPolarHBondContact O-CB 3.45Å; E431-A435 PolarHBondContact O-N 3.47Å
432	S	88.3	Confident	89.2	Confident	80 Å²	80	43.7 Å²	43.7	56%	0.559	24%	0.244	S	C	*	.	H	α-helix	trans	-58.9	-42.8	176.9	-166.2	0	0	0	0	111.9	D428 R429 V430 H436	D428-S432 VanDerWaalsContact O-CB 3.28Å; D428-S432 WeakPolarHBondContact O-CB 3.27Å; D428-S432 PolarHBondContact O-N 2.93Å; R429-S432 PolarHBondContact O-N 2.77Å; V430-S432 VanDerWaalsContact C-N 3.32Å; V430-S432 PolarHBondContact O-N 3.49Å; S432-H436 WeakPolarHBondContact O-CB 3.45Å; S432-H436 PolarHBondContact O-N 3.36Å
433	L	87.3	Confident	89.3	Confident	13 Å²	13	44 Å²	44	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-45.4	175.6	-70.4	171.1	0	0	0	112	I364 L366 R429 V430 E431 A435 H436 L437 M439	I364-L433 HydrophobicContact CD1-CB 4.4Å; I364-L433 HydrophobicContact CD1-CD1 4.29Å; L366-L433 HydrophobicContact CD1-CD1 4.28Å; L366-L433 HydrophobicContact CD2-CD1 3.81Å; R429-L433 HydrophobicContact CG-CD1 4.4Å; R429-L433 VanDerWaalsContact O-CG 3.26Å; R429-L433 WeakPolarHBondContact O-CG 3.49Å; R429-L433 PolarHBondContact O-N 3.4Å; V430-L433 PolarHBondContact O-N 3.01Å; V430-L433 VanDerWaalsContact O-N 3.16Å; E431-L433 VanDerWaalsContact C-N 3.31Å; E431-L433 PolarHBondContact O-N 2.9Å; L433-A435 PolarHBondContact O-N 3.21Å; L433-H436 PolarHBondContact O-N 3Å; L433-H436 VanDerWaalsContact O-N 3.16Å; L433-L437 PolarHBondContact O-N 2.71Å; L433-M439 VanDerWaalsContact C-CE 3.41Å; L433-M439 HydrophobicContact CB-CE 3.93Å; L433-M439 WeakPolarHBondContact O-CE 3.32Å
434	Q	87.4	Confident	89.3	Confident	50 Å²	50	42.7 Å²	42.7	23%	0.234	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-47	176	-76.5	171.5	-37.5	0	0	111.1	V430 E431 H436 G438 M439	V430-Q434 HydrophobicContact CG1-CG 4.4Å; V430-Q434 WeakPolarHBondContact O-CG 3.36Å; V430-Q434 PolarHBondContact O-N 3.34Å; E431-Q434 PolarHBondContact O-N 3.39Å; Q434-H436 PolarHBondContact O-N 2.97Å; Q434-G438 VanDerWaalsContact O-CA 3.25Å; Q434-G438 WeakPolarHBondContact O-CA 3.46Å; Q434-G438 PolarHBondContact O-N 2.97Å; Q434-M439 HydrophobicContact CB-CE 4.45Å; Q434-M439 HydrophobicContact CG-CE 4.08Å
435	A	84.8	Confident	89.2	Confident	71 Å²	71	40.6 Å²	40.6	59%	0.587	22%	0.221	S	C	*	.	H	α-helix	trans	-65.5	-34.2	175.3	0	0	0	0	0	112.9	K358 E431 L433	K358-A435 PolarHBondContact NZ-O 2.88Å; E431-A435 VanDerWaalsContact O-CB 3.31Å; E431-A435 WeakPolarHBondContact O-CB 3.45Å; E431-A435 PolarHBondContact O-N 3.47Å; L433-A435 PolarHBondContact O-N 3.21Å
436	H	80.8	Confident	89	Confident	65 Å²	65	36.9 Å²	36.9	30%	0.301	21%	0.207	S	C	.	.	H	α-helix	trans	-77.1	-47.9	-179.5	-171.3	107.3	0	0	0	113	H336 K358 S432 L433 Q434	H336-H436 AromaticContact CD2-NE2 3.75Å; H336-H436 AromaticContact NE2-NE2 3.76Å; K358-H436 WeakPolarHBondContact CE-O 3.33Å; K358-H436 PolarHBondContact NZ-O 3.08Å; S432-H436 WeakPolarHBondContact O-CB 3.45Å; S432-H436 PolarHBondContact O-N 3.36Å; L433-H436 PolarHBondContact O-N 3Å; L433-H436 VanDerWaalsContact O-N 3.16Å; Q434-H436 PolarHBondContact O-N 2.97Å
437	L	82.1	Confident	88.7	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-96.9	-22.2	-172.8	-63.1	171.3	0	0	0	113.4	L331 V357 K358 I362 I364 L433 M439	L331-L437 HydrophobicContact CB-CD1 4.36Å; L331-L437 HydrophobicContact CB-CD2 3.91Å; L331-L437 HydrophobicContact CD1-CD2 4.49Å; V357-L437 HydrophobicContact CG1-CB 4.12Å; V357-L437 HydrophobicContact CG1-CD2 4.09Å; K358-L437 WeakPolarHBondContact CG-O 3.5Å; I362-L437 HydrophobicContact CD1-CB 4.47Å; I364-L437 HydrophobicContact CG2-CD1 4.16Å; L433-L437 PolarHBondContact O-N 2.71Å; L437-M439 HydrophobicContact CB-CE 4.21Å; L437-M439 HydrophobicContact CB-SD 3.54Å; L437-M439 VanDerWaalsContact CB-SD 3.54Å; L437-M439 HydrophobicContact CD1-CE 4.36Å
438	G	79.5	Confident	88.4	Confident	41 Å²	41	36.3 Å²	36.3	42%	0.423	20%	0.204	S	C	.	.			trans	81.4	38.9	169.7	0	0	0	0	0	115.9	Q434	Q434-G438 VanDerWaalsContact O-CA 3.25Å; Q434-G438 WeakPolarHBondContact O-CA 3.46Å; Q434-G438 PolarHBondContact O-N 2.97Å
439	M	80.8	Confident	88	Confident	16 Å²	16	32.3 Å²	32.3	8%	0.079	19%	0.185	C	C	.	.			trans	-108.8	154.6	-175	63.9	-73.2	-169.5	0	0	114.2	I362 I364 L433 Q434 L437	I362-M439 HydrophobicContact CD1-CB 3.96Å; I362-M439 HydrophobicContact CD1-CG 4.47Å; I362-M439 HydrophobicContact CG1-CB 3.88Å; I362-M439 WeakPolarHBondContact O-CB 3.2Å; I364-M439 HydrophobicContact CB-CE 4.35Å; I364-M439 HydrophobicContact CD1-CE 3.38Å; I364-M439 HydrophobicContact CG1-CE 3.69Å; I364-M439 HydrophobicContact CG1-CG 4.48Å; I364-M439 HydrophobicContact CG2-CE 3.76Å; I364-M439 HydrophobicContact CG2-CG 4.37Å; I364-M439 HydrophobicContact CG2-SD 4.38Å; L433-M439 VanDerWaalsContact C-CE 3.41Å; L433-M439 HydrophobicContact CB-CE 3.93Å; L433-M439 WeakPolarHBondContact O-CE 3.32Å; Q434-M439 HydrophobicContact CB-CE 4.45Å; Q434-M439 HydrophobicContact CG-CE 4.08Å; L437-M439 HydrophobicContact CB-CE 4.21Å; L437-M439 HydrophobicContact CB-SD 3.54Å; L437-M439 VanDerWaalsContact CB-SD 3.54Å; L437-M439 HydrophobicContact CD1-CE 4.36Å
440	E	84.6	Confident	87.9	Confident	75 Å²	75	30 Å²	30	35%	0.35	18%	0.177	S	C	.	.	S	Bend	trans	-92.7	-34.6	175.9	-177.6	175.9	-150	0	0	111.7	N279 K281 S482	N279-E440 PolarHBondContact ND2-OE1 2.96Å; N279-E440 VanDerWaalsContact ND2-OE1 3.12Å; K281-E440 IonicContact NZ-OE1 2.82Å; K281-E440 PolarHBondContact NZ-OE1 2.85Å; E440-S482 VanDerWaalsContact O-CB 3.26Å; E440-S482 WeakPolarHBondContact O-CB 3.5Å
441	Y	93.3	Very high	87.7	Confident	1 Å²	1	30.1 Å²	30.1	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.5	-168.9	-53.8	-86.5	0	0	0	113.6	F287 V320 N361 S363 I364	F287-Y441 HydrophobicContact CZ-CD1 4.23Å; V320-Y441 HydrophobicContact CG1-CD2 4.18Å; V320-Y441 HydrophobicContact CG1-CG 4.47Å; V320-Y441 HydrophobicContact CG2-CD2 4.05Å; V320-Y441 HydrophobicContact CG2-CE2 4.05Å; N361-Y441 WeakPolarHBondContact OD1-CD2 3.38Å; N361-Y441 VanDerWaalsContact OD1-CE2 3.31Å; N361-Y441 WeakPolarHBondContact OD1-CE2 3.3Å; S363-Y441 WeakPolarHBondContact CA-O 3.23Å; I364-Y441 PolarHBondContact N-O 3.03Å
442	V	95.3	Very high	87.6	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.7	176.7	-179.8	0	0	0	0	109.6	I364 L366 V430 L444 I479 T483 I484	I364-V442 HydrophobicContact CD1-CG2 4.42Å; I364-V442 HydrophobicContact CG1-CG1 4.38Å; I364-V442 HydrophobicContact CG1-CG2 4.16Å; L366-V442 HydrophobicContact CD1-CG1 4.13Å; V430-V442 HydrophobicContact CG1-CG2 4.47Å; V442-L444 HydrophobicContact CG1-CD2 4.03Å; V442-I479 HydrophobicContact CB-CG2 4.23Å; V442-I479 HydrophobicContact CG2-CG2 4.03Å; V442-T483 CarbonylContact O-C 3.51Å; V442-T483 WeakPolarHBondContact O-CA 3.47Å; V442-I484 PolarHBondContact O-N 3.31Å
443	V	96	Very high	87.3	Confident	6 Å²	6	23 Å²	23	4%	0.036	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122	172.9	-170.5	0	0	0	0	108.9	I364 T365 L366 E445 I484 K499	I364-V443 PolarHBondContact O-N 3.26Å; T365-V443 CarbonylContact C-O 3.54Å; T365-V443 WeakPolarHBondContact CA-O 3.31Å; L366-V443 PolarHBondContact N-O 2.94Å; V443-E445 HydrophobicContact CG1-CG 3.95Å; V443-I484 CarbonylContact C-O 3.55Å; V443-I484 VanDerWaalsContact CA-O 3.3Å; V443-I484 WeakPolarHBondContact CA-O 3.47Å; V443-I484 HydrophobicContact CG1-CB 4.4Å; V443-I484 HydrophobicContact CG1-CG2 4.21Å; V443-I484 HydrophobicContact CG2-CB 4.23Å; V443-I484 HydrophobicContact CG2-CD1 4.05Å; V443-K499 HydrophobicContact CG1-CD 4.46Å
444	L	95.8	Very high	87.1	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.016	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.8	170.5	-58.5	-174.1	0	0	0	109.9	L366 F426 V442 M475 A476 I479 T483 I484 M485 T486	L366-L444 HydrophobicContact CB-CD2 4.08Å; F426-L444 HydrophobicContact CE1-CD2 4.35Å; F426-L444 HydrophobicContact CZ-CD2 4.44Å; V442-L444 HydrophobicContact CG1-CD2 4.03Å; L444-M475 HydrophobicContact CD1-CE 4.03Å; L444-A476 HydrophobicContact CD1-CB 3.86Å; L444-I479 HydrophobicContact CD1-CD1 4.13Å; L444-I479 HydrophobicContact CD2-CD1 4.28Å; L444-T483 HydrophobicContact CD1-CG2 4.24Å; L444-T483 HydrophobicContact CG-CG2 4.12Å; L444-I484 PolarHBondContact N-O 2.87Å; L444-M485 WeakPolarHBondContact O-CA 3.44Å; L444-T486 PolarHBondContact O-N 3.41Å; L444-T486 VanDerWaalsContact O-N 3.16Å
445	E	93.4	Very high	87	Confident	17 Å²	17	29.8 Å²	29.8	8%	0.079	17%	0.167	C	C	.	.			trans	-122.7	154.5	176.9	-55.2	-172.9	143.2	0	0	110.4	T365 L366 S367 P368 W407 R408 V443 T486 K499	T365-E445 HydrophobicContact CG2-CG 3.83Å; T365-E445 WeakPolarHBondContact CG2-OE2 3.33Å; L366-E445 PolarHBondContact O-N 2.91Å; S367-E445 WeakPolarHBondContact CA-O 3.46Å; S367-E445 WeakPolarHBondContact CB-O 3.29Å; P368-E445 WeakPolarHBondContact CD-O 3.08Å; W407-E445 HydrophobicContact CZ2-CB 4.43Å; R408-E445 IonicContact CZ-OE2 3.73Å; R408-E445 IonicContact NH1-OE2 2.66Å; R408-E445 PolarHBondContact NH1-OE2 2.58Å; R408-E445 IonicContact NH2-OE2 3.94Å; R408-E445 PolarHBondContact NH2-OE2 2.85Å; V443-E445 HydrophobicContact CG1-CG 3.95Å; E445-T486 WeakPolarHBondContact CA-OG1 3.33Å; E445-T486 HydrophobicContact CB-CG2 4.44Å; E445-T486 HydrophobicContact CG-CG2 3.83Å; E445-K499 IonicContact OE1-NZ 2.86Å; E445-K499 PolarHBondContact OE1-NZ 3.45Å
446	G	87.4	Confident	87	Confident	1 Å²	1	31 Å²	31	1%	0.01	18%	0.178	C	C	.	.			trans	88.9	21.3	176.9	0	0	0	0	0	114.8	P368 K414 E448	P368-G446 WeakPolarHBondContact CG-O 3.42Å; K414-G446 WeakPolarHBondContact CE-O 3.47Å; K414-G446 PolarHBondContact NZ-O 2.79Å; G446-E448 VanDerWaalsContact C-N 3.32Å; G446-E448 VanDerWaalsContact C-OE2 3.3Å; G446-E448 WeakPolarHBondContact CA-OE2 3.49Å; G446-E448 PolarHBondContact N-OE2 2.85Å
447	G	87.8	Confident	87.1	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.021	18%	0.176	C	C	.	.			trans	-70	-34.7	165.1	0	0	0	0	0	111.8	K414 L472	K414-G447 PolarHBondContact NZ-O 3.16Å; G447-L472 VanDerWaalsContact CA-CD2 3.44Å
448	E	88.9	Confident	87.1	Confident	30 Å²	30	39.7 Å²	39.7	14%	0.14	21%	0.211	C	C	.	.			trans	-49	149.7	176.5	-54	87.9	157.6	0	0	112.6	V192 N194 K414 G446 T486 A487	V192-E448 HydrophobicContact CG1-CB 4.33Å; V192-E448 HydrophobicContact CG1-CG 4Å; N194-E448 HydrophobicContact CB-CB 4.37Å; K414-E448 PolarHBondContact NZ-O 2.77Å; G446-E448 VanDerWaalsContact C-N 3.32Å; G446-E448 VanDerWaalsContact C-OE2 3.3Å; G446-E448 WeakPolarHBondContact CA-OE2 3.49Å; G446-E448 PolarHBondContact N-OE2 2.85Å; E448-T486 WeakPolarHBondContact OE1-CB 3.36Å; E448-T486 PolarHBondContact OE1-OG1 3.26Å; E448-T486 PolarHBondContact OE2-OG1 2.95Å; E448-A487 HydrophobicContact CG-CB 4.08Å
449	G	84	Confident	87.3	Confident	11 Å²	11	39.2 Å²	39.2	11%	0.113	20%	0.2	C	C	.	.	S	Bend	trans	82.3	124.8	174	0	0	0	0	0	114.5	V192 K414 L451 E454	V192-G449 PolarHBondContact O-N 2.66Å; K414-G449 PolarHBondContact NZ-O 3.32Å; G449-L451 PolarHBondContact O-N 2.61Å; G449-E454 VanDerWaalsContact C-OE1 3.31Å; G449-E454 WeakPolarHBondContact CA-OE1 3.5Å
450	N	86.3	Confident	87.4	Confident	12 Å²	12	41 Å²	41	6%	0.064	21%	0.213	C	C	.	.			trans	-90.1	98	171.3	-166.1	-49.7	0	0	0	110.1	F452 E453 E454 L463 G465	N450-F452 PolarHBondContact O-N 3.48Å; N450-F452 PolarHBondContact OD1-N 3.18Å; N450-E453 HydrophobicContact CB-CB 4.17Å; N450-E453 HydrophobicContact CB-CG 4.15Å; N450-E453 PolarHBondContact O-N 3.49Å; N450-E453 PolarHBondContact OD1-N 3.31Å; N450-E454 PolarHBondContact N-OE1 2.91Å; N450-E454 WeakPolarHBondContact O-CG 3.44Å; N450-E454 PolarHBondContact O-N 3.3Å; N450-L463 PolarHBondContact ND2-O 2.99Å; N450-G465 PolarHBondContact ND2-O 2.85Å
451	L	87.3	Confident	87.3	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-52.2	-30.2	-176.5	177.9	58.9	0	0	0	114.6	L390 V403 T405 K414 G449 Q455	L390-L451 HydrophobicContact CB-CD2 4.26Å; L390-L451 HydrophobicContact CD1-CD2 4.03Å; V403-L451 HydrophobicContact CB-CD2 4.02Å; V403-L451 HydrophobicContact CG1-CD1 4.05Å; V403-L451 HydrophobicContact CG1-CD2 3.84Å; V403-L451 HydrophobicContact CG1-CG 3.86Å; T405-L451 HydrophobicContact CG2-CD1 4.2Å; K414-L451 HydrophobicContact CB-CD2 4.1Å; G449-L451 PolarHBondContact O-N 2.61Å; L451-Q455 HydrophobicContact CD1-CG 4.5Å; L451-Q455 WeakPolarHBondContact O-CG 3.47Å
452	F	87.7	Confident	86.9	Confident	5 Å²	5	48.8 Å²	48.8	2%	0.022	26%	0.262	C	S	.	.	H	α-helix	trans	-78.2	-44.2	178.4	-62.6	-81	0	0	0	111.3	L390 L392 V403 N450 Q455 A456 L457 T459 P460 L463	L390-F452 HydrophobicContact CB-CZ 4.26Å; L390-F452 HydrophobicContact CD1-CE2 4.19Å; L390-F452 HydrophobicContact CD2-CE2 4.34Å; L392-F452 HydrophobicContact CD2-CD1 4.44Å; L392-F452 HydrophobicContact CD2-CE1 4.08Å; V403-F452 HydrophobicContact CG2-CE1 4.26Å; N450-F452 PolarHBondContact O-N 3.48Å; N450-F452 PolarHBondContact OD1-N 3.18Å; F452-Q455 PolarHBondContact O-N 3.46Å; F452-A456 PolarHBondContact O-N 2.98Å; F452-L457 HydrophobicContact CB-CB 4.21Å; F452-L457 HydrophobicContact CD1-CB 4.14Å; F452-L457 HydrophobicContact CD1-CD1 4.17Å; F452-L457 WeakPolarHBondContact O-CB 3.5Å; F452-L457 PolarHBondContact O-N 2.88Å; F452-T459 HydrophobicContact CB-CG2 4.02Å; F452-T459 WeakPolarHBondContact CB-OG1 3.44Å; F452-T459 HydrophobicContact CD2-CG2 4.2Å; F452-T459 HydrophobicContact CG-CG2 4.4Å; F452-P460 HydrophobicContact CE1-CG 4.39Å; F452-P460 HydrophobicContact CE2-CG 4.18Å; F452-P460 HydrophobicContact CZ-CG 4.05Å; F452-L463 HydrophobicContact CE2-CD1 3.89Å
453	E	82.6	Confident	86.5	Confident	54 Å²	54	49.1 Å²	49.1	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-67.6	-41.5	-179.9	-60.2	-179.6	-162.2	0	0	111.1	N450 Q455 A456 T459 G465	N450-E453 HydrophobicContact CB-CB 4.17Å; N450-E453 HydrophobicContact CB-CG 4.15Å; N450-E453 PolarHBondContact O-N 3.49Å; N450-E453 PolarHBondContact OD1-N 3.31Å; E453-Q455 PolarHBondContact O-N 3.06Å; E453-A456 PolarHBondContact O-N 3.06Å; E453-T459 VanDerWaalsContact CG-OG1 3.24Å; E453-T459 WeakPolarHBondContact CG-OG1 3.26Å; E453-G465 PolarHBondContact OE1-N 2.88Å
454	E	83.2	Confident	86	Confident	121 Å²	121	50.5 Å²	50.5	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-56.8	-32	174.2	-73.4	167.5	-170.2	0	0	113.7	G449 N450	G449-E454 VanDerWaalsContact C-OE1 3.31Å; G449-E454 WeakPolarHBondContact CA-OE1 3.5Å; N450-E454 PolarHBondContact N-OE1 2.91Å; N450-E454 WeakPolarHBondContact O-CG 3.44Å; N450-E454 PolarHBondContact O-N 3.3Å
455	Q	85.4	Confident	85.6	Confident	85 Å²	85	50.6 Å²	50.6	40%	0.397	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9	179.4	-62.4	-167.4	16.5	0	0	113.3	L404 L451 F452 E453 L457	L404-Q455 PolarHBondContact O-NE2 2.73Å; L451-Q455 HydrophobicContact CD1-CG 4.5Å; L451-Q455 WeakPolarHBondContact O-CG 3.47Å; F452-Q455 PolarHBondContact O-N 3.46Å; E453-Q455 PolarHBondContact O-N 3.06Å; Q455-L457 HydrophobicContact CB-CD1 3.82Å; Q455-L457 HydrophobicContact CB-CG 3.8Å; Q455-L457 PolarHBondContact O-N 2.94Å
456	A	83.9	Confident	85.4	Confident	97 Å²	97	50.4 Å²	50.4	80%	0.802	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	32.8	-174.3	0	0	0	0	0	114	F452 E453	F452-A456 PolarHBondContact O-N 2.98Å; E453-A456 PolarHBondContact O-N 3.06Å
457	L	84.6	Confident	85.6	Confident	53 Å²	53	52.4 Å²	52.4	28%	0.277	28%	0.283	S	S	.	.			trans	-85.8	161.1	174.3	-59.8	171.6	0	0	0	110.2	L392 V403 F452 Q455 T459	L392-L457 HydrophobicContact CD1-CD1 4.09Å; L392-L457 HydrophobicContact CD1-CD2 4.02Å; V403-L457 HydrophobicContact CG1-CD1 4.16Å; V403-L457 HydrophobicContact CG2-CD1 4.45Å; F452-L457 HydrophobicContact CB-CB 4.21Å; F452-L457 HydrophobicContact CD1-CB 4.14Å; F452-L457 HydrophobicContact CD1-CD1 4.17Å; F452-L457 WeakPolarHBondContact O-CB 3.5Å; F452-L457 PolarHBondContact O-N 2.88Å; Q455-L457 HydrophobicContact CB-CD1 3.82Å; Q455-L457 HydrophobicContact CB-CG 3.8Å; Q455-L457 PolarHBondContact O-N 2.94Å; L457-T459 PolarHBondContact O-N 3.4Å; L457-T459 VanDerWaalsContact O-N 3.12Å
458	R	82.3	Confident	85.9	Confident	197 Å²	197	52.9 Å²	52.9	74%	0.743	28%	0.284	S	S	*	.			trans	-75	103.7	171.4	-171.6	-177.7	-171.9	-166.9	4.1	109.9	E245	E245-R458 IonicContact OE1-CZ 2.88Å; E245-R458 IonicContact OE1-NH2 3.78Å; E245-R458 PolarHBondContact OE1-NH2 2.82Å
459	T	81.8	Confident	86.2	Confident	31 Å²	31	51.6 Å²	51.6	19%	0.19	28%	0.278	C	S	.	.			trans	-57.6	130.4	174.4	-43.6	0	0	0	0	111.4	F452 E453 L457 L463	F452-T459 HydrophobicContact CB-CG2 4.02Å; F452-T459 WeakPolarHBondContact CB-OG1 3.44Å; F452-T459 HydrophobicContact CD2-CG2 4.2Å; F452-T459 HydrophobicContact CG-CG2 4.4Å; E453-T459 VanDerWaalsContact CG-OG1 3.24Å; E453-T459 WeakPolarHBondContact CG-OG1 3.26Å; L457-T459 PolarHBondContact O-N 3.4Å; L457-T459 VanDerWaalsContact O-N 3.12Å; T459-L463 WeakPolarHBondContact CG2-O 3.35Å
460	P	84.6	Confident	86.7	Confident	55 Å²	55	53 Å²	53	36%	0.357	28%	0.282	S	S	.	.			trans	-63.5	142.2	170.1	-20.8	33	0	0	0	111	F452 A462 L463 S464	F452-P460 HydrophobicContact CE1-CG 4.39Å; F452-P460 HydrophobicContact CE2-CG 4.18Å; F452-P460 HydrophobicContact CZ-CG 4.05Å; P460-A462 PolarHBondContact O-N 2.71Å; P460-A462 VanDerWaalsContact O-N 3.14Å; P460-L463 CarbonylContact O-C 3.52Å; P460-L463 WeakPolarHBondContact O-CA 3.35Å; P460-L463 PolarHBondContact O-N 3.16Å; P460-S464 PolarHBondContact O-N 2.94Å
461	M	80.8	Confident	87.1	Confident	176 Å²	176	54.9 Å²	54.9	87%	0.867	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-59.4	-28.9	-178.6	-167.3	-177.6	80.7	0	0	113.5	L463 S464	M461-L463 PolarHBondContact O-N 2.94Å; M461-S464 PolarHBondContact O-OG 3.46Å
462	A	85.6	Confident	87.5	Confident	63 Å²	63	54.8 Å²	54.8	52%	0.521	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-72.6	-7.2	174.5	0	0	0	0	0	114.1	T418 P460	T418-A462 HydrophobicContact CG2-CB 4.36Å; P460-A462 PolarHBondContact O-N 2.71Å; P460-A462 VanDerWaalsContact O-N 3.14Å
463	L	87.4	Confident	87.9	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.042	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-134.2	20.8	-176.3	-66.5	177.8	0	0	0	111.9	L390 T418 N450 F452 T459 P460 M461 Y468 L471	L390-L463 HydrophobicContact CD2-CD1 3.53Å; T418-L463 HydrophobicContact CG2-CD1 4.07Å; T418-L463 HydrophobicContact CG2-CD2 3.7Å; T418-L463 HydrophobicContact CG2-CG 3.81Å; N450-L463 PolarHBondContact ND2-O 2.99Å; F452-L463 HydrophobicContact CE2-CD1 3.89Å; T459-L463 WeakPolarHBondContact CG2-O 3.35Å; P460-L463 CarbonylContact O-C 3.52Å; P460-L463 WeakPolarHBondContact O-CA 3.35Å; P460-L463 PolarHBondContact O-N 3.16Å; M461-L463 PolarHBondContact O-N 2.94Å; L463-Y468 HydrophobicContact CD2-CD2 4.05Å; L463-L471 HydrophobicContact CD2-CD1 4.05Å
464	S	85.2	Confident	88.5	Confident	34 Å²	34	55.8 Å²	55.8	24%	0.238	30%	0.299	C	S	.	.	S	Bend	trans	-74.1	137.2	177.1	55	0	0	0	0	111.7	P460 M461 K467	P460-S464 PolarHBondContact O-N 2.94Å; M461-S464 PolarHBondContact O-OG 3.46Å; S464-K467 WeakPolarHBondContact O-CG 3.5Å
465	G	86.6	Confident	89.1	Confident	5 Å²	5	50.2 Å²	50.2	5%	0.052	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-136.6	-175	0	0	0	0	0	111.9	N450 E453 K467	N450-G465 PolarHBondContact ND2-O 2.85Å; E453-G465 PolarHBondContact OE1-N 2.88Å; G465-K467 VanDerWaalsContact C-N 3.33Å; G465-K467 PolarHBondContact O-N 2.92Å
466	D	90.8	Very high	89.6	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.07	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	12.9	-174	-59.3	-56.7	0	0	0	114.9	V191 V192 Y468 I469 E470 T489	V191-D466 WeakPolarHBondContact CA-OD1 3.29Å; V191-D466 WeakPolarHBondContact CA-OD2 3.44Å; V192-D466 PolarHBondContact N-OD1 2.9Å; D466-Y468 PolarHBondContact O-N 2.89Å; D466-I469 HydrophobicContact CB-CD1 4.27Å; D466-I469 WeakPolarHBondContact O-CA 3.48Å; D466-I469 WeakPolarHBondContact O-CB 3.03Å; D466-I469 PolarHBondContact O-N 2.59Å; D466-E470 PolarHBondContact O-N 3.32Å; D466-T489 HydrophobicContact CB-CG2 3.65Å
467	K	91.8	Very high	90.1	Very high	43 Å²	43	43.7 Å²	43.7	19%	0.187	23%	0.229	C	C	.	.	H	α-helix	trans	-54.2	-24.8	179.6	-75.4	-74.4	166.8	-164.3	0	114.4	D223 S464 G465 I469 E470 L471	D223-K467 VanDerWaalsContact OD1-CE 3.23Å; D223-K467 WeakPolarHBondContact OD1-CE 3.19Å; D223-K467 IonicContact OD1-NZ 3.36Å; D223-K467 PolarHBondContact OD1-NZ 3.42Å; S464-K467 WeakPolarHBondContact O-CG 3.5Å; G465-K467 VanDerWaalsContact C-N 3.33Å; G465-K467 PolarHBondContact O-N 2.92Å; K467-I469 VanDerWaalsContact C-N 3.32Å; K467-E470 WeakPolarHBondContact CD-OE1 3.42Å; K467-E470 WeakPolarHBondContact CE-OE1 3.41Å; K467-E470 IonicContact NZ-OE1 2.75Å; K467-E470 PolarHBondContact NZ-OE1 3.3Å; K467-E470 IonicContact NZ-OE2 3.2Å; K467-E470 PolarHBondContact NZ-OE2 2.94Å; K467-L471 WeakPolarHBondContact O-CG 3.3Å; K467-L471 PolarHBondContact O-N 2.99Å
468	Y	94.1	Very high	90.6	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.047	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-34.5	172.6	-167.6	-85.9	0	0	0	112.8	P368 L390 K414 L415 L417 L463 D466 L472	P368-Y468 VanDerWaalsContact CB-OH 3.32Å; P368-Y468 WeakPolarHBondContact CB-OH 3.4Å; P368-Y468 HydrophobicContact CG-CE1 4.26Å; L390-Y468 HydrophobicContact CD1-CD2 4.3Å; L390-Y468 HydrophobicContact CD1-CE2 3.98Å; L390-Y468 HydrophobicContact CD2-CE2 4.47Å; L390-Y468 HydrophobicContact CG-CE2 4.47Å; K414-Y468 HydrophobicContact CD-CE1 4.36Å; K414-Y468 HydrophobicContact CG-CE2 4.46Å; L415-Y468 VanDerWaalsContact O-CE2 3.25Å; L415-Y468 WeakPolarHBondContact O-CE2 3.25Å; L415-Y468 PolarHBondContact O-OH 2.87Å; L417-Y468 HydrophobicContact CB-CE2 4.38Å; L417-Y468 HydrophobicContact CD1-CD1 4.07Å; L417-Y468 HydrophobicContact CD1-CD2 4.25Å; L417-Y468 HydrophobicContact CD1-CE1 3.59Å; L417-Y468 HydrophobicContact CD1-CE2 3.82Å; L417-Y468 HydrophobicContact CD1-CG 4.36Å; L417-Y468 VanDerWaalsContact CD1-CZ 3.45Å; L417-Y468 HydrophobicContact CG-CE1 4.36Å; L417-Y468 HydrophobicContact CG-CE2 3.86Å; L463-Y468 HydrophobicContact CD2-CD2 4.05Å; D466-Y468 PolarHBondContact O-N 2.89Å; Y468-L472 WeakPolarHBondContact O-CB 3.49Å; Y468-L472 PolarHBondContact O-N 3.14Å
469	I	94.8	Very high	91.2	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-77.3	-36.9	-179.3	-64	163.2	0	0	0	110.4	V192 D466 K467 L472 A473 A487 T489	V192-I469 HydrophobicContact CB-CD1 3.57Å; V192-I469 HydrophobicContact CG1-CD1 3.95Å; V192-I469 HydrophobicContact CG2-CD1 3.88Å; D466-I469 HydrophobicContact CB-CD1 4.27Å; D466-I469 WeakPolarHBondContact O-CA 3.48Å; D466-I469 WeakPolarHBondContact O-CB 3.03Å; D466-I469 PolarHBondContact O-N 2.59Å; K467-I469 VanDerWaalsContact C-N 3.32Å; I469-L472 PolarHBondContact O-N 3.29Å; I469-A473 PolarHBondContact O-N 2.81Å; I469-A487 HydrophobicContact CD1-CB 3.97Å; I469-A487 HydrophobicContact CG1-CB 3.94Å; I469-A487 HydrophobicContact CG2-CB 3.82Å; I469-T489 HydrophobicContact CB-CG2 4.14Å; I469-T489 HydrophobicContact CG2-CG2 4.09Å
470	E	93.6	Very high	91.7	Very high	41 Å²	41	36.5 Å²	36.5	19%	0.192	22%	0.216	C	C	.	.	H	α-helix	trans	-53.8	-55.2	168.6	-63.4	-178.7	-142.9	0	0	110	D466 K467 L472 A473 D474 T489 R490	D466-E470 PolarHBondContact O-N 3.32Å; K467-E470 WeakPolarHBondContact CD-OE1 3.42Å; K467-E470 WeakPolarHBondContact CE-OE1 3.41Å; K467-E470 IonicContact NZ-OE1 2.75Å; K467-E470 PolarHBondContact NZ-OE1 3.3Å; K467-E470 IonicContact NZ-OE2 3.2Å; K467-E470 PolarHBondContact NZ-OE2 2.94Å; E470-L472 VanDerWaalsContact C-N 3.29Å; E470-L472 PolarHBondContact O-N 3.47Å; E470-A473 WeakPolarHBondContact O-CB 3.1Å; E470-A473 PolarHBondContact O-N 3.33Å; E470-D474 PolarHBondContact O-N 3.19Å; E470-D474 VanDerWaalsContact O-N 3.13Å; E470-T489 HydrophobicContact CG-CG2 4.08Å; E470-R490 HydrophobicContact CG-CB 4.43Å; E470-R490 WeakPolarHBondContact OE1-CD 3.48Å; E470-R490 IonicContact OE1-NH1 2.69Å; E470-R490 PolarHBondContact OE1-NH1 2.04Å; E470-R490 IonicContact OE2-NH1 3.62Å
471	L	95.1	Very high	92	Very high	52 Å²	52	37.5 Å²	37.5	27%	0.272	22%	0.218	S	C	.	.	H	α-helix	trans	-63.9	-29.2	178.6	-66.3	171.2	0	0	0	113.8	L417 T418 L463 K467 A473 M475	L417-L471 HydrophobicContact CB-CB 3.86Å; L417-L471 HydrophobicContact CB-CD1 4.22Å; L417-L471 HydrophobicContact CD1-CB 4.04Å; T418-L471 HydrophobicContact CG2-CD1 4.05Å; L463-L471 HydrophobicContact CD2-CD1 4.05Å; K467-L471 WeakPolarHBondContact O-CG 3.3Å; K467-L471 PolarHBondContact O-N 2.99Å; L471-A473 VanDerWaalsContact C-N 3.33Å; L471-M475 PolarHBondContact O-N 3.32Å
472	L	96.3	Very high	92.6	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-72.8	-30.4	175.7	-168.2	73.5	0	0	0	111.1	L417 G447 Y468 I469 E470 M475 A476 M485	L417-L472 HydrophobicContact CD1-CB 3.78Å; L417-L472 HydrophobicContact CD1-CD1 3.83Å; L417-L472 HydrophobicContact CD1-CG 4.43Å; G447-L472 VanDerWaalsContact CA-CD2 3.44Å; Y468-L472 WeakPolarHBondContact O-CB 3.49Å; Y468-L472 PolarHBondContact O-N 3.14Å; I469-L472 PolarHBondContact O-N 3.29Å; E470-L472 VanDerWaalsContact C-N 3.29Å; E470-L472 PolarHBondContact O-N 3.47Å; L472-M475 HydrophobicContact CD1-CE 3.64Å; L472-M475 PolarHBondContact O-N 3.05Å; L472-A476 WeakPolarHBondContact O-CB 3.41Å; L472-A476 PolarHBondContact O-N 2.91Å; L472-M485 HydrophobicContact CB-CE 3.91Å; L472-M485 HydrophobicContact CD2-CE 3.78Å; L472-M485 HydrophobicContact CG-CE 3.79Å
473	A	95.7	Very high	93.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-72.5	-39.8	174.8	0	0	0	0	0	111.8	I469 E470 L471 M475 A476 T477 M485 M494 L496	I469-A473 PolarHBondContact O-N 2.81Å; E470-A473 WeakPolarHBondContact O-CB 3.1Å; E470-A473 PolarHBondContact O-N 3.33Å; L471-A473 VanDerWaalsContact C-N 3.33Å; A473-M475 VanDerWaalsContact C-N 3.26Å; A473-M475 PolarHBondContact O-N 3.34Å; A473-A476 WeakPolarHBondContact O-CB 3.4Å; A473-A476 PolarHBondContact O-N 2.82Å; A473-T477 PolarHBondContact O-N 3.4Å; A473-T477 PolarHBondContact O-OG1 3.17Å; A473-M485 HydrophobicContact CB-CE 4.09Å; A473-M485 HydrophobicContact CB-SD 3.85Å; A473-M494 HydrophobicContact CB-CE 4.35Å; A473-M494 HydrophobicContact CB-SD 3.57Å; A473-M494 VanDerWaalsContact CB-SD 3.57Å; A473-L496 HydrophobicContact CB-CD1 4.07Å
474	D	95.1	Very high	93.5	Very high	79 Å²	79	26.3 Å²	26.3	42%	0.422	15%	0.154	S	C	.	.	H	α-helix	trans	-58.3	-38.2	170.6	-67.2	-32.3	0	0	0	112.2	E470 T477 S478 M494	E470-D474 PolarHBondContact O-N 3.19Å; E470-D474 VanDerWaalsContact O-N 3.13Å; D474-T477 PolarHBondContact O-OG1 2.84Å; D474-T477 VanDerWaalsContact O-OG1 3.05Å; D474-S478 PolarHBondContact O-N 2.91Å; D474-S478 PolarHBondContact O-OG 2.95Å; D474-M494 WeakPolarHBondContact OD1-CE 3.4Å
475	M	95.8	Very high	94	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-72.7	-33.7	173.1	-169.7	-174	77.2	0	0	112.3	L415 L417 V423 F426 L427 L444 L471 L472 A473 S478 I479	L415-M475 HydrophobicContact CD2-SD 4.44Å; L417-M475 HydrophobicContact CD2-CE 4.49Å; L417-M475 HydrophobicContact CD2-SD 3.78Å; V423-M475 HydrophobicContact CG1-CG 4.02Å; V423-M475 HydrophobicContact CG1-SD 4.31Å; F426-M475 HydrophobicContact CB-SD 4.38Å; F426-M475 HydrophobicContact CD1-CE 3.5Å; F426-M475 HydrophobicContact CD1-SD 3.57Å; F426-M475 VanDerWaalsContact CD1-SD 3.57Å; F426-M475 HydrophobicContact CE1-CE 3.41Å; F426-M475 VanDerWaalsContact CE1-CE 3.41Å; F426-M475 HydrophobicContact CE1-SD 4.15Å; F426-M475 HydrophobicContact CG-CE 4.37Å; F426-M475 HydrophobicContact CG-SD 4.16Å; F426-M475 HydrophobicContact CZ-CE 4.21Å; L427-M475 HydrophobicContact CD2-CG 4.02Å; L427-M475 HydrophobicContact CG-CG 4.45Å; L444-M475 HydrophobicContact CD1-CE 4.03Å; L471-M475 PolarHBondContact O-N 3.32Å; L472-M475 HydrophobicContact CD1-CE 3.64Å; L472-M475 PolarHBondContact O-N 3.05Å; A473-M475 VanDerWaalsContact C-N 3.26Å; A473-M475 PolarHBondContact O-N 3.34Å; M475-S478 WeakPolarHBondContact O-CB 3.41Å; M475-S478 PolarHBondContact O-N 3.33Å; M475-I479 WeakPolarHBondContact O-CG1 3.47Å; M475-I479 PolarHBondContact O-N 2.9Å
476	A	95.9	Very high	94.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.7	-44.6	178.9	0	0	0	0	0	112.3	L444 L472 A473 S478 I479 G480 T483 M485 L496	L444-A476 HydrophobicContact CD1-CB 3.86Å; L472-A476 WeakPolarHBondContact O-CB 3.41Å; L472-A476 PolarHBondContact O-N 2.91Å; A473-A476 WeakPolarHBondContact O-CB 3.4Å; A473-A476 PolarHBondContact O-N 2.82Å; A476-S478 PolarHBondContact O-N 3.27Å; A476-I479 WeakPolarHBondContact O-CB 3.31Å; A476-I479 PolarHBondContact O-N 3.08Å; A476-I479 VanDerWaalsContact O-N 3.07Å; A476-G480 PolarHBondContact O-N 2.85Å; A476-T483 HydrophobicContact CB-CG2 3.83Å; A476-T483 PolarHBondContact O-OG1 2.8Å; A476-M485 HydrophobicContact CB-CG 4.03Å; A476-M485 HydrophobicContact CB-SD 3.7Å; A476-L496 HydrophobicContact CB-CD1 4.03Å; A476-L496 HydrophobicContact CB-CD2 3.76Å
477	T	95.1	Very high	94.5	Very high	46 Å²	46	24.7 Å²	24.7	28%	0.282	14%	0.142	S	C	.	.	H	α-helix	trans	-62.6	-34.6	174.9	56.1	0	0	0	0	111.5	A473 D474 I479 G480 M494 P495 L496	A473-T477 PolarHBondContact O-N 3.4Å; A473-T477 PolarHBondContact O-OG1 3.17Å; D474-T477 PolarHBondContact O-OG1 2.84Å; D474-T477 VanDerWaalsContact O-OG1 3.05Å; T477-I479 PolarHBondContact O-N 2.86Å; T477-G480 PolarHBondContact O-N 2.84Å; T477-G480 VanDerWaalsContact O-N 3.11Å; T477-M494 HydrophobicContact CG2-CB 3.87Å; T477-M494 HydrophobicContact CG2-CG 4.19Å; T477-M494 HydrophobicContact CG2-SD 3.96Å; T477-P495 HydrophobicContact CG2-CG 4.28Å; T477-L496 HydrophobicContact CG2-CD1 3.92Å; T477-L496 HydrophobicContact CG2-CD2 4.16Å; T477-L496 HydrophobicContact CG2-CG 3.97Å
478	S	94.4	Very high	94.5	Very high	82 Å²	82	22.6 Å²	22.6	57%	0.573	13%	0.133	S	C	*	.	H	α-helix	trans	-65.4	-20.1	174.3	-58.6	0	0	0	0	114.2	D474 M475 A476	D474-S478 PolarHBondContact O-N 2.91Å; D474-S478 PolarHBondContact O-OG 2.95Å; M475-S478 WeakPolarHBondContact O-CB 3.41Å; M475-S478 PolarHBondContact O-N 3.33Å; A476-S478 PolarHBondContact O-N 3.27Å
479	I	94.6	Very high	94.4	Very high	24 Å²	24	22.3 Å²	22.3	12%	0.123	13%	0.132	C	C	.	.	H	α-helix	trans	-83.8	-31.3	172.1	-65.4	165.6	0	0	0	111.2	L427 V430 V442 L444 M475 A476 T477	L427-I479 HydrophobicContact CD2-CD1 4.23Å; L427-I479 HydrophobicContact CD2-CG1 3.53Å; V430-I479 HydrophobicContact CG1-CD1 4.18Å; V430-I479 HydrophobicContact CG1-CG1 4.06Å; V430-I479 HydrophobicContact CG1-CG2 3.72Å; V430-I479 HydrophobicContact CG2-CD1 3.99Å; V430-I479 HydrophobicContact CG2-CG1 4.45Å; V442-I479 HydrophobicContact CB-CG2 4.23Å; V442-I479 HydrophobicContact CG2-CG2 4.03Å; L444-I479 HydrophobicContact CD1-CD1 4.13Å; L444-I479 HydrophobicContact CD2-CD1 4.28Å; M475-I479 WeakPolarHBondContact O-CG1 3.47Å; M475-I479 PolarHBondContact O-N 2.9Å; A476-I479 WeakPolarHBondContact O-CB 3.31Å; A476-I479 PolarHBondContact O-N 3.08Å; A476-I479 VanDerWaalsContact O-N 3.07Å; T477-I479 PolarHBondContact O-N 2.86Å
480	G	92	Very high	94.2	Very high	23 Å²	23	26.3 Å²	26.3	24%	0.237	15%	0.147	C	C	.	.			trans	135.6	168.6	171.5	0	0	0	0	0	114.7	A476 T477 S482 T483	A476-G480 PolarHBondContact O-N 2.85Å; T477-G480 PolarHBondContact O-N 2.84Å; T477-G480 VanDerWaalsContact O-N 3.11Å; G480-S482 PolarHBondContact O-N 2.84Å; G480-T483 VanDerWaalsContact O-CB 3.29Å; G480-T483 WeakPolarHBondContact O-CB 3.34Å; G480-T483 PolarHBondContact O-N 2.85Å; G480-T483 VanDerWaalsContact O-N 3.11Å; G480-T483 PolarHBondContact O-OG1 2.97Å
481	D	91.8	Very high	94.2	Very high	77 Å²	77	24.5 Å²	24.5	41%	0.412	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-11.1	179.9	68.3	-6.4	0	0	0	116.1	N279	N279-D481 HydrophobicContact CB-CB 4.32Å; N279-D481 PolarHBondContact N-O 2.84Å
482	S	93	Very high	94.1	Very high	7 Å²	7	23.7 Å²	23.7	5%	0.049	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12.2	-175.9	-56.1	0	0	0	0	111.9	N279 E440 G480	N279-S482 WeakPolarHBondContact CB-OG 3.33Å; N279-S482 PolarHBondContact ND2-OG 2.82Å; E440-S482 VanDerWaalsContact O-CB 3.26Å; E440-S482 WeakPolarHBondContact O-CB 3.5Å; G480-S482 PolarHBondContact O-N 2.84Å
483	T	95.8	Very high	93.9	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.1	-179.3	-52	0	0	0	0	111.4	V442 L444 A476 G480 L496 F497	V442-T483 CarbonylContact O-C 3.51Å; V442-T483 WeakPolarHBondContact O-CA 3.47Å; L444-T483 HydrophobicContact CD1-CG2 4.24Å; L444-T483 HydrophobicContact CG-CG2 4.12Å; A476-T483 HydrophobicContact CB-CG2 3.83Å; A476-T483 PolarHBondContact O-OG1 2.8Å; G480-T483 VanDerWaalsContact O-CB 3.29Å; G480-T483 WeakPolarHBondContact O-CB 3.34Å; G480-T483 PolarHBondContact O-N 2.85Å; G480-T483 VanDerWaalsContact O-N 3.11Å; G480-T483 PolarHBondContact O-OG1 2.97Å; T483-L496 HydrophobicContact CG2-CD2 4.47Å; T483-F497 PolarHBondContact O-N 2.99Å
484	I	96.6	Very high	93.8	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.3	-178.4	-60.7	152.3	0	0	0	107.9	F287 V442 V443 L444 F497 K499 I531	F287-I484 HydrophobicContact CE1-CD1 3.72Å; F287-I484 HydrophobicContact CZ-CD1 4.07Å; V442-I484 PolarHBondContact O-N 3.31Å; V443-I484 CarbonylContact C-O 3.55Å; V443-I484 VanDerWaalsContact CA-O 3.3Å; V443-I484 WeakPolarHBondContact CA-O 3.47Å; V443-I484 HydrophobicContact CG1-CB 4.4Å; V443-I484 HydrophobicContact CG1-CG2 4.21Å; V443-I484 HydrophobicContact CG2-CB 4.23Å; V443-I484 HydrophobicContact CG2-CD1 4.05Å; L444-I484 PolarHBondContact N-O 2.87Å; I484-F497 CarbonylContact C-O 3.59Å; I484-F497 VanDerWaalsContact CA-O 3.28Å; I484-F497 WeakPolarHBondContact CA-O 3.39Å; I484-F497 HydrophobicContact CB-CB 4.48Å; I484-F497 HydrophobicContact CG1-CB 3.94Å; I484-F497 HydrophobicContact CG2-CB 4.47Å; I484-K499 HydrophobicContact CG2-CB 3.96Å; I484-I531 HydrophobicContact CD1-CD1 3.63Å; I484-I531 HydrophobicContact CG1-CD1 3.92Å; I484-I531 HydrophobicContact CG2-CD1 3.99Å
485	M	96.1	Very high	93.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	151.4	174.7	-62.1	179.3	71.3	0	0	111.1	L444 L472 A473 A476 A487 L496 F497 I498 K499	L444-M485 WeakPolarHBondContact O-CA 3.44Å; L472-M485 HydrophobicContact CB-CE 3.91Å; L472-M485 HydrophobicContact CD2-CE 3.78Å; L472-M485 HydrophobicContact CG-CE 3.79Å; A473-M485 HydrophobicContact CB-CE 4.09Å; A473-M485 HydrophobicContact CB-SD 3.85Å; A476-M485 HydrophobicContact CB-CG 4.03Å; A476-M485 HydrophobicContact CB-SD 3.7Å; M485-A487 WeakPolarHBondContact CB-O 3.42Å; M485-A487 WeakPolarHBondContact CE-O 3.29Å; M485-L496 HydrophobicContact SD-CD1 3.75Å; M485-F497 PolarHBondContact N-O 3.4Å; M485-I498 HydrophobicContact CB-CD1 3.96Å; M485-I498 CarbonylContact O-C 3.45Å; M485-I498 WeakPolarHBondContact O-CA 3.48Å; M485-K499 PolarHBondContact O-N 3.25Å
486	T	94.3	Very high	93.8	Very high	17 Å²	17	23.8 Å²	23.8	10%	0.104	14%	0.137	C	C	.	.	S	Bend	trans	-88.1	-26.3	165.2	51.8	0	0	0	0	113.2	S204 L444 E445 E448 K499	S204-T486 WeakPolarHBondContact CB-O 2.94Å; S204-T486 PolarHBondContact OG-O 3.27Å; L444-T486 PolarHBondContact O-N 3.41Å; L444-T486 VanDerWaalsContact O-N 3.16Å; E445-T486 WeakPolarHBondContact CA-OG1 3.33Å; E445-T486 HydrophobicContact CB-CG2 4.44Å; E445-T486 HydrophobicContact CG-CG2 3.83Å; E448-T486 WeakPolarHBondContact OE1-CB 3.36Å; E448-T486 PolarHBondContact OE1-OG1 3.26Å; E448-T486 PolarHBondContact OE2-OG1 2.95Å; T486-K499 HydrophobicContact CG2-CB 4.08Å; T486-K499 HydrophobicContact CG2-CD 3.76Å; T486-K499 HydrophobicContact CG2-CG 4.12Å
487	A	93.2	Very high	93.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.008	14%	0.137	C	C	.	.			trans	-102.1	136.5	178.6	0	0	0	0	0	111.7	S204 E448 I469 M485	S204-A487 WeakPolarHBondContact OG-CA 3.13Å; E448-A487 HydrophobicContact CG-CB 4.08Å; I469-A487 HydrophobicContact CD1-CB 3.97Å; I469-A487 HydrophobicContact CG1-CB 3.94Å; I469-A487 HydrophobicContact CG2-CB 3.82Å; M485-A487 WeakPolarHBondContact CB-O 3.42Å; M485-A487 WeakPolarHBondContact CE-O 3.29Å
488	G	92.4	Very high	93.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.			trans	-145.8	129.4	174.5	0	0	0	0	0	112.7	S204 P205 L206	S204-G488 PolarHBondContact OG-N 2.85Å; P205-G488 VanDerWaalsContact CA-O 3.31Å; P205-G488 WeakPolarHBondContact CA-O 3.07Å; L206-G488 PolarHBondContact N-O 2.98Å
489	T	91.9	Very high	93.9	Very high	5 Å²	5	20 Å²	20	3%	0.031	11%	0.107	C	C	.	.	S	Bend	trans	-150.2	143.2	161.9	-168.6	0	0	0	0	108.5	L206 D466 I469 E470 S491 Y527	L206-T489 VanDerWaalsContact O-CB 3.29Å; L206-T489 WeakPolarHBondContact O-CB 3.3Å; L206-T489 PolarHBondContact O-OG1 3.25Å; D466-T489 HydrophobicContact CB-CG2 3.65Å; I469-T489 HydrophobicContact CB-CG2 4.14Å; I469-T489 HydrophobicContact CG2-CG2 4.09Å; E470-T489 HydrophobicContact CG-CG2 4.08Å; T489-S491 PolarHBondContact O-N 2.92Å; T489-S491 PolarHBondContact O-OG 2.81Å; T489-Y527 VanDerWaalsContact CA-OH 3.29Å; T489-Y527 WeakPolarHBondContact CA-OH 3.36Å; T489-Y527 PolarHBondContact N-OH 3.07Å
490	R	90.4	Very high	93.9	Very high	88 Å²	88	19.1 Å²	19.1	33%	0.332	10%	0.102	S	C	.	.	S	Bend	trans	53.2	6.8	179.9	-59.9	176.8	69.7	175.1	8	115.9	E207 D223 E470 H493 Y527	E207-R490 WeakPolarHBondContact OE1-CA 3.21Å; E207-R490 PolarHBondContact OE1-N 3.41Å; D223-R490 IonicContact OD1-NH1 2.64Å; D223-R490 PolarHBondContact OD1-NH1 3.33Å; E470-R490 HydrophobicContact CG-CB 4.43Å; E470-R490 WeakPolarHBondContact OE1-CD 3.48Å; E470-R490 IonicContact OE1-NH1 2.69Å; E470-R490 PolarHBondContact OE1-NH1 2.04Å; E470-R490 IonicContact OE2-NH1 3.62Å; R490-H493 PolarHBondContact O-CE1 3.19Å; R490-H493 PolarHBondContact O-ND1 2.81Å; R490-Y527 PolarHBondContact N-OH 3.05Å
491	S	92.9	Very high	93.8	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.021	10%	0.099	C	C	.	.			trans	-108.1	8.6	-173.1	63.5	0	0	0	0	113.6	T489 H493 M494 Y527	T489-S491 PolarHBondContact O-N 2.92Å; T489-S491 PolarHBondContact O-OG 2.81Å; S491-H493 PolarHBondContact O-N 2.85Å; S491-H493 VanDerWaalsContact O-N 3.12Å; S491-M494 VanDerWaalsContact O-CB 3.3Å; S491-M494 WeakPolarHBondContact O-CB 3.41Å; S491-M494 PolarHBondContact O-N 3.43Å; S491-Y527 WeakPolarHBondContact CA-OH 3.48Å; S491-Y527 PolarHBondContact N-OH 3.43Å; S491-Y527 PolarHBondContact OG-OH 2.98Å
492	S	92.3	Very high	93.9	Very high	34 Å²	34	17.6 Å²	17.6	24%	0.238	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.9	-179.4	54.1	0	0	0	0	114	Y527 W603	S492-Y527 VanDerWaalsContact CA-CE1 3.43Å; S492-Y527 PolarHBondContact N-OH 3.05Å; S492-W603 WeakPolarHBondContact O-CH2 3.12Å; S492-W603 WeakPolarHBondContact O-CZ2 3.48Å
493	H	92.5	Very high	93.9	Very high	38 Å²	38	17.6 Å²	17.6	18%	0.176	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.2	174.8	67.2	-88.8	0	0	0	114.2	L273 R275 E276 R490 S491	L273-H493 VanDerWaalsContact CD1-CE1 3.5Å; L273-H493 WeakPolarHBondContact CD1-CE1 3.43Å; L273-H493 WeakPolarHBondContact CD1-NE2 3.19Å; R275-H493 WeakPolarHBondContact CA-O 3.09Å; R275-H493 HydrophobicContact CG-CB 4.16Å; E276-H493 PolarHBondContact N-O 2.67Å; R490-H493 PolarHBondContact O-CE1 3.19Å; R490-H493 PolarHBondContact O-ND1 2.81Å; S491-H493 PolarHBondContact O-N 2.85Å; S491-H493 VanDerWaalsContact O-N 3.12Å
494	M	94.1	Very high	93.9	Very high	27 Å²	27	20.5 Å²	20.5	13%	0.133	11%	0.107	C	C	.	.	S	Bend	trans	-82.1	154	-175.2	-63.1	-177.8	174.6	0	0	111.9	A473 D474 T477 S491 L496	A473-M494 HydrophobicContact CB-CE 4.35Å; A473-M494 HydrophobicContact CB-SD 3.57Å; A473-M494 VanDerWaalsContact CB-SD 3.57Å; D474-M494 WeakPolarHBondContact OD1-CE 3.4Å; T477-M494 HydrophobicContact CG2-CB 3.87Å; T477-M494 HydrophobicContact CG2-CG 4.19Å; T477-M494 HydrophobicContact CG2-SD 3.96Å; S491-M494 VanDerWaalsContact O-CB 3.3Å; S491-M494 WeakPolarHBondContact O-CB 3.41Å; S491-M494 PolarHBondContact O-N 3.43Å; M494-L496 HydrophobicContact CB-CD1 3.93Å; M494-L496 HydrophobicContact CB-CG 4.12Å; M494-L496 PolarHBondContact O-N 2.96Å; M494-L496 HydrophobicContact SD-CD1 4.17Å
495	P	95.1	Very high	93.8	Very high	14 Å²	14	22.1 Å²	22.1	9%	0.091	12%	0.118	C	C	.	.	S	Bend	trans	-78.2	65.7	-179.5	34.4	-36.2	0	0	0	111.5	E276 L277 T477	E276-P495 HydrophobicContact CB-CB 3.96Å; E276-P495 HydrophobicContact CB-CG 4.13Å; L277-P495 WeakPolarHBondContact O-CB 3.19Å; T477-P495 HydrophobicContact CG2-CG 4.28Å
496	L	95.4	Very high	93.7	Very high	9 Å²	9	25.1 Å²	25.1	5%	0.047	13%	0.134	C	C	.	.			trans	-133.5	149	-173.8	-63.2	173	0	0	0	111.9	A473 A476 T477 T483 M485 M494	A473-L496 HydrophobicContact CB-CD1 4.07Å; A476-L496 HydrophobicContact CB-CD1 4.03Å; A476-L496 HydrophobicContact CB-CD2 3.76Å; T477-L496 HydrophobicContact CG2-CD1 3.92Å; T477-L496 HydrophobicContact CG2-CD2 4.16Å; T477-L496 HydrophobicContact CG2-CG 3.97Å; T483-L496 HydrophobicContact CG2-CD2 4.47Å; M485-L496 HydrophobicContact SD-CD1 3.75Å; M494-L496 HydrophobicContact CB-CD1 3.93Å; M494-L496 HydrophobicContact CB-CG 4.12Å; M494-L496 PolarHBondContact O-N 2.96Å; M494-L496 HydrophobicContact SD-CD1 4.17Å
497	F	96.9	Very high	93.8	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.1	168.3	-89.4	-95.7	0	0	0	111.1	P278 T282 L283 T483 I484 M485 F529 I531 V562	P278-F497 HydrophobicContact CB-CD2 3.7Å; P278-F497 HydrophobicContact CB-CE2 3.7Å; P278-F497 HydrophobicContact CG-CD2 3.79Å; P278-F497 HydrophobicContact CG-CE2 3.57Å; P278-F497 HydrophobicContact CG-CZ 4.37Å; T282-F497 HydrophobicContact CG2-CD1 4.32Å; T282-F497 HydrophobicContact CG2-CD2 4.01Å; T282-F497 HydrophobicContact CG2-CE1 4.13Å; T282-F497 HydrophobicContact CG2-CE2 3.8Å; T282-F497 HydrophobicContact CG2-CG 4.26Å; T282-F497 HydrophobicContact CG2-CZ 3.87Å; L283-F497 HydrophobicContact CD2-CE1 3.95Å; L283-F497 HydrophobicContact CD2-CZ 3.72Å; L283-F497 HydrophobicContact CG-CZ 4.26Å; T483-F497 PolarHBondContact O-N 2.99Å; I484-F497 CarbonylContact C-O 3.59Å; I484-F497 VanDerWaalsContact CA-O 3.28Å; I484-F497 WeakPolarHBondContact CA-O 3.39Å; I484-F497 HydrophobicContact CB-CB 4.48Å; I484-F497 HydrophobicContact CG1-CB 3.94Å; I484-F497 HydrophobicContact CG2-CB 4.47Å; M485-F497 PolarHBondContact N-O 3.4Å; F497-F529 WeakPolarHBondContact CA-O 3.32Å; F497-F529 HydrophobicContact CD1-CB 3.91Å; F497-F529 HydrophobicContact CD2-CB 4.36Å; F497-F529 HydrophobicContact CE1-CB 3.85Å; F497-F529 HydrophobicContact CE2-CB 4.3Å; F497-F529 HydrophobicContact CG-CB 4.17Å; F497-F529 HydrophobicContact CZ-CB 4.05Å; F497-F529 HydrophobicContact CZ-CD1 4.34Å; F497-I531 HydrophobicContact CB-CG1 4.45Å; F497-I531 HydrophobicContact CD1-CG1 4.06Å; F497-V562 HydrophobicContact CD1-CG2 4.3Å; F497-V562 HydrophobicContact CE1-CG2 3.78Å
498	I	95.9	Very high	93.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.5	172.1	-58	-53.9	0	0	0	111	M485 Y527 F529 L530 I531	M485-I498 HydrophobicContact CB-CD1 3.96Å; M485-I498 CarbonylContact O-C 3.45Å; M485-I498 WeakPolarHBondContact O-CA 3.48Å; I498-Y527 HydrophobicContact CB-CD1 4.37Å; I498-Y527 HydrophobicContact CD1-CD1 4.26Å; I498-Y527 HydrophobicContact CD1-CE1 4.06Å; I498-Y527 HydrophobicContact CG1-CD1 3.32Å; I498-Y527 HydrophobicContact CG1-CE1 3.61Å; I498-Y527 HydrophobicContact CG1-CG 4.17Å; I498-F529 PolarHBondContact N-O 2.89Å; I498-L530 CarbonylContact O-C 3.52Å; I498-L530 WeakPolarHBondContact O-CA 3.38Å; I498-L530 VanDerWaalsContact O-CB 3.29Å; I498-L530 WeakPolarHBondContact O-CB 3.01Å; I498-I531 PolarHBondContact O-N 2.72Å
499	K	95.1	Very high	93.9	Very high	48 Å²	48	31.3 Å²	31.3	21%	0.209	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.5	177.3	174.7	176.4	160	-169.9	0	109.7	V443 E445 I484 M485 T486 I531	V443-K499 HydrophobicContact CG1-CD 4.46Å; E445-K499 IonicContact OE1-NZ 2.86Å; E445-K499 PolarHBondContact OE1-NZ 3.45Å; I484-K499 HydrophobicContact CG2-CB 3.96Å; M485-K499 PolarHBondContact O-N 3.25Å; T486-K499 HydrophobicContact CG2-CB 4.08Å; T486-K499 HydrophobicContact CG2-CD 3.76Å; T486-K499 HydrophobicContact CG2-CG 4.12Å; K499-I531 WeakPolarHBondContact CA-O 3.41Å
500	M	93.4	Very high	94	Very high	5 Å²	5	33 Å²	33	3%	0.025	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-57	147.6	179.8	-173.6	-175.7	-71.4	0	0	111.6	L503 L530 I531 P532	M500-L503 HydrophobicContact SD-CD1 4.31Å; M500-L530 HydrophobicContact CE-CD1 3.55Å; M500-I531 WeakPolarHBondContact CB-O 3.35Å; M500-I531 PolarHBondContact N-O 2.96Å; M500-P532 HydrophobicContact CE-CB 4.18Å; M500-P532 HydrophobicContact SD-CB 4.46Å
501	A	91.4	Very high	94.2	Very high	22 Å²	22	28.9 Å²	28.9	18%	0.182	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-56.3	141	174.1	0	0	0	0	0	111.8	L195	L195-A501 HydrophobicContact CD1-CB 4.02Å
502	P	92.8	Very high	94.4	Very high	45 Å²	45	28.8 Å²	28.8	29%	0.292	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-64	136.8	-179.7	-22.5	33.8	0	0	0	112.9	D533 L539	P502-D533 WeakPolarHBondContact CA-OD2 3.5Å; P502-L539 HydrophobicContact CB-CB 3.97Å; P502-L539 HydrophobicContact CB-CD1 4.22Å
503	L	94.1	Very high	94.5	Very high	7 Å²	7	31 Å²	31	4%	0.037	17%	0.167	C	C	.	.			trans	-106.2	158.2	-177.4	-62	179.2	0	0	0	111.7	M500 A514 I515 D533 S538 L539 W553	M500-L503 HydrophobicContact SD-CD1 4.31Å; L503-A514 HydrophobicContact CD1-CB 4.21Å; L503-A514 HydrophobicContact CD2-CB 3.83Å; L503-I515 HydrophobicContact CD1-CG1 3.7Å; L503-D533 HydrophobicContact CB-CB 4.45Å; L503-D533 HydrophobicContact CG-CB 4.26Å; L503-D533 PolarHBondContact N-OD2 3.13Å; L503-S538 PolarHBondContact O-N 3.36Å; L503-L539 WeakPolarHBondContact O-CB 3.43Å; L503-L539 PolarHBondContact O-N 2.72Å; L503-W553 HydrophobicContact CB-CH2 3.77Å; L503-W553 HydrophobicContact CB-CZ2 4.04Å; L503-W553 HydrophobicContact CD1-CH2 4.29Å; L503-W553 HydrophobicContact CD1-CZ2 4.05Å
504	Q	94.4	Very high	94.7	Very high	63 Å²	63	29.2 Å²	29.2	29%	0.294	16%	0.159	S	C	.	.			trans	-68	147.8	175.4	-66.6	-65.1	2.4	0	0	112.1	D506 T510 G511 L539 W553	Q504-D506 PolarHBondContact O-N 3.18Å; Q504-T510 VanDerWaalsContact CG-OG1 3.31Å; Q504-T510 WeakPolarHBondContact CG-OG1 3.25Å; Q504-T510 PolarHBondContact N-O 2.78Å; Q504-G511 WeakPolarHBondContact O-CA 3.44Å; Q504-L539 HydrophobicContact CG-CD2 4.14Å; Q504-W553 WeakPolarHBondContact O-CH2 3.42Å; Q504-W553 WeakPolarHBondContact O-CZ3 3.45Å
505	S	94.6	Very high	94.9	Very high	36 Å²	36	28 Å²	28	25%	0.252	15%	0.153	S	C	.	.	S	Bend	trans	-82.2	53.2	175.6	-60.7	0	0	0	0	112.3	G536 L549	S505-G536 VanDerWaalsContact CA-O 3.25Å; S505-G536 WeakPolarHBondContact CA-O 3.3Å; S505-G536 WeakPolarHBondContact CB-O 3.18Å; S505-G536 PolarHBondContact OG-O 3.01Å; S505-L549 WeakPolarHBondContact O-CD2 3.3Å
506	D	95.2	Very high	95	Very high	64 Å²	64	27.5 Å²	27.5	34%	0.342	15%	0.15	S	C	.	.	S	Bend	trans	-147.5	-174.1	179.5	73.8	12	0	0	0	113.3	Q504 S508 L512	Q504-D506 PolarHBondContact O-N 3.18Å; D506-S508 WeakPolarHBondContact OD1-CB 3.26Å; D506-S508 PolarHBondContact OD1-N 2.88Å; D506-S508 PolarHBondContact OD1-OG 3.39Å; D506-S508 PolarHBondContact OD2-OG 2.99Å; D506-L512 WeakPolarHBondContact O-CB 3.28Å; D506-L512 PolarHBondContact O-N 2.66Å
507	W	95.5	Very high	95.1	Very high	42 Å²	42	27.2 Å²	27.2	16%	0.159	15%	0.148	C	C	.	.	S	Bend	trans	-95	13.6	-180	-57.8	79.6	0	0	0	112.9	L512 R513 D546 E548 L549 R552 E644 K645	W507-L512 HydrophobicContact CD2-CD2 4.18Å; W507-L512 HydrophobicContact CE3-CD2 3.39Å; W507-L512 HydrophobicContact CH2-CD2 4.43Å; W507-L512 HydrophobicContact CZ3-CD2 3.53Å; W507-R513 WeakPolarHBondContact O-CD 3.34Å; W507-D546 PolarHBondContact NE1-OD2 3.48Å; W507-E548 HydrophobicContact CH2-CG 4.06Å; W507-E548 HydrophobicContact CZ2-CB 4.15Å; W507-E548 HydrophobicContact CZ2-CG 3.94Å; W507-L549 HydrophobicContact CD2-CD1 4Å; W507-L549 HydrophobicContact CG-CD1 4.16Å; W507-L549 HydrophobicContact CZ2-CB 4.04Å; W507-L549 HydrophobicContact CZ2-CD1 4.39Å; W507-R552 HydrophobicContact CH2-CB 4.04Å; W507-R552 HydrophobicContact CH2-CG 3.68Å; W507-R552 HydrophobicContact CZ3-CB 4.24Å; W507-R552 HydrophobicContact CZ3-CG 4.1Å; W507-E644 WeakPolarHBondContact CZ3-O 3.25Å; W507-K645 HydrophobicContact CD2-CB 3.78Å; W507-K645 HydrophobicContact CD2-CG 4.48Å; W507-K645 HydrophobicContact CE3-CB 4.14Å; W507-K645 HydrophobicContact CG-CB 4.17Å; W507-K645 HydrophobicContact CH2-CB 4.31Å; W507-K645 HydrophobicContact CZ2-CB 3.97Å; W507-K645 HydrophobicContact CZ2-CD 4.33Å; W507-K645 HydrophobicContact CZ2-CG 3.9Å; W507-K645 HydrophobicContact CZ3-CB 4.4Å
508	S	94.8	Very high	95.1	Very high	28 Å²	28	27.2 Å²	27.2	20%	0.196	15%	0.148	C	C	.	.	S	Bend	trans	-78.3	168.7	-175.7	75.3	0	0	0	0	112.4	D506 T510 G511 R513	D506-S508 WeakPolarHBondContact OD1-CB 3.26Å; D506-S508 PolarHBondContact OD1-N 2.88Å; D506-S508 PolarHBondContact OD1-OG 3.39Å; D506-S508 PolarHBondContact OD2-OG 2.99Å; S508-T510 PolarHBondContact O-N 3.3Å; S508-T510 PolarHBondContact OG-N 2.7Å; S508-T510 PolarHBondContact OG-OG1 3.04Å; S508-G511 CarbonylContact O-C 3.33Å; S508-G511 PolarHBondContact O-N 3.25Å; S508-G511 PolarHBondContact OG-N 2.58Å; S508-R513 WeakPolarHBondContact O-CB 3.31Å; S508-R513 PolarHBondContact O-N 2.98Å
509	P	92.8	Very high	95.2	Very high	77 Å²	77	27.2 Å²	27.2	50%	0.5	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-1	164.4	-23.7	35.7	0	0	0	115.4	G175 A514	G175-P509 VanDerWaalsContact CA-O 3.27Å; G175-P509 WeakPolarHBondContact CA-O 3.32Å; P509-A514 WeakPolarHBondContact O-CB 3.21Å
510	T	93.8	Very high	95.3	Very high	42 Å²	42	25 Å²	25	26%	0.258	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	1	171.1	65.9	0	0	0	0	113	Q174 Q504 S508	Q174-T510 WeakPolarHBondContact O-CB 3.43Å; Q174-T510 WeakPolarHBondContact O-CG2 3.26Å; Q504-T510 VanDerWaalsContact CG-OG1 3.31Å; Q504-T510 WeakPolarHBondContact CG-OG1 3.25Å; Q504-T510 PolarHBondContact N-O 2.78Å; S508-T510 PolarHBondContact O-N 3.3Å; S508-T510 PolarHBondContact OG-N 2.7Å; S508-T510 PolarHBondContact OG-OG1 3.04Å
511	G	95.3	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-128.1	177.9	0	0	0	0	0	111.1	Q504 S508 R513 A514	Q504-G511 WeakPolarHBondContact O-CA 3.44Å; S508-G511 CarbonylContact O-C 3.33Å; S508-G511 PolarHBondContact O-N 3.25Å; S508-G511 PolarHBondContact OG-N 2.58Å; G511-R513 PolarHBondContact O-N 2.85Å; G511-R513 VanDerWaalsContact O-N 3.12Å; G511-A514 WeakPolarHBondContact O-CB 3.33Å; G511-A514 PolarHBondContact O-N 3.03Å
512	L	96.4	Very high	95.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-50.3	-40.4	-176	-171.5	77.7	0	0	0	113.5	D506 W507 A514 I515 L549 R552 W553 I556	D506-L512 WeakPolarHBondContact O-CB 3.28Å; D506-L512 PolarHBondContact O-N 2.66Å; W507-L512 HydrophobicContact CD2-CD2 4.18Å; W507-L512 HydrophobicContact CE3-CD2 3.39Å; W507-L512 HydrophobicContact CH2-CD2 4.43Å; W507-L512 HydrophobicContact CZ3-CD2 3.53Å; L512-A514 VanDerWaalsContact C-N 3.27Å; L512-A514 PolarHBondContact O-N 3.34Å; L512-I515 HydrophobicContact CD1-CD1 3.93Å; L512-I515 WeakPolarHBondContact O-CD1 3.48Å; L512-I515 VanDerWaalsContact O-CG1 3.3Å; L512-I515 WeakPolarHBondContact O-CG1 3.46Å; L512-I515 PolarHBondContact O-N 3.12Å; L512-L549 HydrophobicContact CB-CD1 4Å; L512-L549 HydrophobicContact CD1-CD1 4.29Å; L512-L549 HydrophobicContact CD2-CD1 4.24Å; L512-L549 HydrophobicContact CG-CD1 4.42Å; L512-R552 HydrophobicContact CD2-CB 4.25Å; L512-W553 HydrophobicContact CB-CE3 4.07Å; L512-W553 HydrophobicContact CB-CZ3 4.18Å; L512-W553 HydrophobicContact CD1-CB 3.62Å; L512-W553 HydrophobicContact CD1-CD2 3.77Å; L512-W553 HydrophobicContact CD1-CE3 3.58Å; L512-W553 HydrophobicContact CD1-CG 3.82Å; L512-W553 HydrophobicContact CD1-CZ3 4.46Å; L512-W553 HydrophobicContact CG-CE3 4.46Å; L512-I556 HydrophobicContact CD1-CD1 3.81Å; L512-I556 HydrophobicContact CG-CD1 4.09Å
513	R	95.9	Very high	95.9	Very high	82 Å²	82	21.6 Å²	21.6	31%	0.309	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-71.9	-17.5	-178.2	-67.7	-178.5	60.9	142.9	4.5	113.8	W507 S508 G511 I515 P517 D628 V643 E644	W507-R513 WeakPolarHBondContact O-CD 3.34Å; S508-R513 WeakPolarHBondContact O-CB 3.31Å; S508-R513 PolarHBondContact O-N 2.98Å; G511-R513 PolarHBondContact O-N 2.85Å; G511-R513 VanDerWaalsContact O-N 3.12Å; R513-I515 VanDerWaalsContact C-N 3.3Å; R513-P517 WeakPolarHBondContact O-CD 3.45Å; R513-D628 IonicContact NH2-OD2 2.77Å; R513-V643 HydrophobicContact CG-CB 4.12Å; R513-V643 HydrophobicContact CG-CG2 4.33Å; R513-E644 IonicContact NH1-OE1 3.95Å; R513-E644 PolarHBondContact NH1-OE1 3.39Å
514	A	95.9	Very high	96	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-76.2	-17.5	177.9	0	0	0	0	0	113	L503 P509 G511 L512 S518	L503-A514 HydrophobicContact CD1-CB 4.21Å; L503-A514 HydrophobicContact CD2-CB 3.83Å; P509-A514 WeakPolarHBondContact O-CB 3.21Å; G511-A514 WeakPolarHBondContact O-CB 3.33Å; G511-A514 PolarHBondContact O-N 3.03Å; L512-A514 VanDerWaalsContact C-N 3.27Å; L512-A514 PolarHBondContact O-N 3.34Å; A514-S518 WeakPolarHBondContact O-CB 3.16Å; A514-S518 PolarHBondContact O-N 2.84Å; A514-S518 PolarHBondContact O-OG 3.46Å
515	I	97.3	Very high	96	Very high	2 Å²	2	19 Å²	19	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-63.4	-49.4	-169.3	-60.2	169.1	0	0	0	112	L503 L512 R513 S518 L519 W553 I556 L560	L503-I515 HydrophobicContact CD1-CG1 3.7Å; L512-I515 HydrophobicContact CD1-CD1 3.93Å; L512-I515 WeakPolarHBondContact O-CD1 3.48Å; L512-I515 VanDerWaalsContact O-CG1 3.3Å; L512-I515 WeakPolarHBondContact O-CG1 3.46Å; L512-I515 PolarHBondContact O-N 3.12Å; R513-I515 VanDerWaalsContact C-N 3.3Å; I515-S518 PolarHBondContact O-N 3.21Å; I515-L519 VanDerWaalsContact O-CB 3.3Å; I515-L519 WeakPolarHBondContact O-CB 3.22Å; I515-L519 PolarHBondContact O-N 3.03Å; I515-W553 HydrophobicContact CD1-CD2 3.77Å; I515-W553 VanDerWaalsContact CD1-CE2 3.49Å; I515-W553 HydrophobicContact CD1-CE3 4.39Å; I515-W553 HydrophobicContact CD1-CG 4.06Å; I515-W553 HydrophobicContact CD1-CH2 4.47Å; I515-W553 HydrophobicContact CD1-CZ2 3.88Å; I515-W553 HydrophobicContact CG1-CZ2 4.26Å; I515-I556 HydrophobicContact CB-CG2 4.46Å; I515-I556 HydrophobicContact CD1-CD1 4.27Å; I515-I556 HydrophobicContact CG2-CG2 3.72Å; I515-L560 HydrophobicContact CG2-CD1 3.61Å
516	I	97.8	Very high	95.9	Very high	3 Å²	3	18 Å²	18	2%	0.015	10%	0.099	C	C	.	.	H	α-helix	trans	-72	-44.6	-177.1	-61.7	170.9	0	0	0	111.4	S518 L519 L520 D628 F631 P641	I516-S518 VanDerWaalsContact C-N 3.28Å; I516-S518 PolarHBondContact O-N 3.32Å; I516-L519 WeakPolarHBondContact O-CB 3.29Å; I516-L519 PolarHBondContact O-N 3.19Å; I516-L520 HydrophobicContact CG2-CD1 3.92Å; I516-L520 HydrophobicContact CG2-CG 4.22Å; I516-L520 WeakPolarHBondContact O-CB 3.36Å; I516-L520 WeakPolarHBondContact O-CG 3.35Å; I516-L520 PolarHBondContact O-N 2.85Å; I516-D628 WeakPolarHBondContact CB-O 3.42Å; I516-D628 VanDerWaalsContact CG2-O 3.25Å; I516-D628 WeakPolarHBondContact CG2-O 3.26Å; I516-F631 HydrophobicContact CD1-CD1 3.93Å; I516-F631 HydrophobicContact CD1-CE1 4.13Å; I516-F631 HydrophobicContact CG1-CD1 3.84Å; I516-F631 HydrophobicContact CG1-CE1 4.04Å; I516-F631 HydrophobicContact CG2-CB 4.25Å; I516-F631 HydrophobicContact CG2-CD1 3.98Å; I516-P641 HydrophobicContact CD1-CG 3.65Å
517	P	97.6	Very high	95.9	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.013	8%	0.084	C	C	.	.	H	α-helix	trans	-56.1	-40.1	169.6	-29.4	37.8	0	0	0	113.6	Q176 W178 R513 H521 D628	Q176-P517 HydrophobicContact CB-CB 4.18Å; Q176-P517 HydrophobicContact CG-CB 3.82Å; Q176-P517 WeakPolarHBondContact O-CB 3.27Å; W178-P517 HydrophobicContact CB-CB 4.06Å; W178-P517 HydrophobicContact CB-CG 4.35Å; R513-P517 WeakPolarHBondContact O-CD 3.45Å; P517-H521 VanDerWaalsContact O-CB 3.23Å; P517-H521 WeakPolarHBondContact O-CB 3.32Å; P517-H521 PolarHBondContact O-N 3.4Å; P517-D628 WeakPolarHBondContact CD-O 3.4Å; P517-D628 HydrophobicContact CG-CB 4.28Å
518	S	97.1	Very high	95.9	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.014	8%	0.077	C	C	.	.	H	α-helix	trans	-65.8	-46.7	176.4	-59.9	0	0	0	0	111.6	A514 I515 I516 H521 H522	A514-S518 WeakPolarHBondContact O-CB 3.16Å; A514-S518 PolarHBondContact O-N 2.84Å; A514-S518 PolarHBondContact O-OG 3.46Å; I515-S518 PolarHBondContact O-N 3.21Å; I516-S518 VanDerWaalsContact C-N 3.28Å; I516-S518 PolarHBondContact O-N 3.32Å; S518-H521 PolarHBondContact O-N 2.81Å; S518-H522 PolarHBondContact O-N 3.04Å; S518-H522 PolarHBondContact O-ND1 3.45Å
519	L	97.8	Very high	95.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57	-52.2	176.5	177.3	67.8	0	0	0	111.8	I515 I516 H521 H522 A523 L530 L560 Y611 F631	I515-L519 VanDerWaalsContact O-CB 3.3Å; I515-L519 WeakPolarHBondContact O-CB 3.22Å; I515-L519 PolarHBondContact O-N 3.03Å; I516-L519 WeakPolarHBondContact O-CB 3.29Å; I516-L519 PolarHBondContact O-N 3.19Å; L519-H521 VanDerWaalsContact C-N 3.32Å; L519-H521 PolarHBondContact O-N 2.98Å; L519-H522 PolarHBondContact O-N 3.33Å; L519-A523 VanDerWaalsContact O-CB 3.3Å; L519-A523 WeakPolarHBondContact O-CB 3.35Å; L519-A523 PolarHBondContact O-N 2.96Å; L519-L530 HydrophobicContact CD1-CD2 4.12Å; L519-L560 HydrophobicContact CD1-CD2 3.97Å; L519-L560 HydrophobicContact CD2-CD2 3.45Å; L519-L560 VanDerWaalsContact CD2-CD2 3.45Å; L519-L560 HydrophobicContact CG-CD2 4.22Å; L519-Y611 HydrophobicContact CD1-CD1 3.83Å; L519-Y611 HydrophobicContact CD1-CD2 3.85Å; L519-Y611 HydrophobicContact CD1-CE1 4.14Å; L519-Y611 HydrophobicContact CD1-CE2 4.21Å; L519-Y611 HydrophobicContact CD1-CG 3.64Å; L519-Y611 HydrophobicContact CD2-CD1 3.62Å; L519-Y611 HydrophobicContact CD2-CE1 4.13Å; L519-Y611 HydrophobicContact CD2-CG 4.12Å; L519-Y611 HydrophobicContact CG-CD1 3.96Å; L519-Y611 HydrophobicContact CG-CG 3.93Å; L519-F631 HydrophobicContact CD2-CD1 4.09Å; L519-F631 HydrophobicContact CD2-CD2 3.89Å; L519-F631 HydrophobicContact CD2-CE1 4.21Å; L519-F631 HydrophobicContact CD2-CE2 4.01Å; L519-F631 HydrophobicContact CD2-CG 3.92Å; L519-F631 HydrophobicContact CD2-CZ 4.16Å
520	L	97.9	Very high	96	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-63.8	-37.8	179.6	-67.5	176.9	0	0	0	111.5	W178 I516 L524 P613 F631	W178-L520 HydrophobicContact CD2-CB 3.87Å; W178-L520 HydrophobicContact CD2-CD1 3.98Å; W178-L520 HydrophobicContact CE3-CB 3.61Å; W178-L520 HydrophobicContact CG-CD1 4.06Å; W178-L520 HydrophobicContact CH2-CB 3.93Å; W178-L520 HydrophobicContact CZ2-CB 4.19Å; W178-L520 VanDerWaalsContact CZ3-C 3.48Å; W178-L520 HydrophobicContact CZ3-CB 3.64Å; I516-L520 HydrophobicContact CG2-CD1 3.92Å; I516-L520 HydrophobicContact CG2-CG 4.22Å; I516-L520 WeakPolarHBondContact O-CB 3.36Å; I516-L520 WeakPolarHBondContact O-CG 3.35Å; I516-L520 PolarHBondContact O-N 2.85Å; L520-L524 WeakPolarHBondContact O-CB 3.45Å; L520-L524 PolarHBondContact O-N 2.97Å; L520-P613 HydrophobicContact CD1-CB 4.36Å; L520-P613 HydrophobicContact CD2-CB 4.08Å; L520-F631 HydrophobicContact CD2-CB 4.04Å
521	H	97.3	Very high	96.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.9	-56.3	172	174.7	91.1	0	0	0	111.8	G169 N172 Q176 P517 S518 L519 A523 L524 V525	G169-H521 PolarHBondContact O-CE1 2.82Å; G169-H521 VanDerWaalsContact O-CE1 3.27Å; G169-H521 PolarHBondContact O-ND1 3.47Å; N172-H521 PolarHBondContact N-NE2 3.12Å; Q176-H521 HydrophobicContact CG-CB 4.37Å; P517-H521 VanDerWaalsContact O-CB 3.23Å; P517-H521 WeakPolarHBondContact O-CB 3.32Å; P517-H521 PolarHBondContact O-N 3.4Å; S518-H521 PolarHBondContact O-N 2.81Å; L519-H521 VanDerWaalsContact C-N 3.32Å; L519-H521 PolarHBondContact O-N 2.98Å; H521-A523 VanDerWaalsContact C-N 3.33Å; H521-A523 PolarHBondContact O-N 2.8Å; H521-L524 PolarHBondContact O-N 3.12Å; H521-V525 WeakPolarHBondContact O-CG2 3.28Å; H521-V525 PolarHBondContact O-N 3.4Å
522	H	96.9	Very high	96.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-57.1	-47	-177.7	-74.7	57.8	0	0	0	111.3	N172 P205 S518 L519 V525 G526 Y527 L530	N172-H522 PolarHBondContact ND2-CE1 2.7Å; P205-H522 VanDerWaalsContact CD-CD2 3.48Å; P205-H522 WeakPolarHBondContact CD-CD2 3.32Å; P205-H522 WeakPolarHBondContact CD-NE2 3.4Å; S518-H522 PolarHBondContact O-N 3.04Å; S518-H522 PolarHBondContact O-ND1 3.45Å; L519-H522 PolarHBondContact O-N 3.33Å; H522-V525 CarbonylContact O-C 3.56Å; H522-V525 PolarHBondContact O-N 3.41Å; H522-G526 PolarHBondContact O-N 3.41Å; H522-Y527 WeakPolarHBondContact O-CA 3.48Å; H522-Y527 PolarHBondContact O-N 3.37Å; H522-L530 HydrophobicContact CB-CD2 3.87Å
523	A	96.3	Very high	96.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.4	-40.6	-178.8	0	0	0	0	0	112.4	L519 H521 G526 N528 P609 Y611	L519-A523 VanDerWaalsContact O-CB 3.3Å; L519-A523 WeakPolarHBondContact O-CB 3.35Å; L519-A523 PolarHBondContact O-N 2.96Å; H521-A523 VanDerWaalsContact C-N 3.33Å; H521-A523 PolarHBondContact O-N 2.8Å; A523-G526 PolarHBondContact O-N 3.25Å; A523-G526 VanDerWaalsContact O-N 3.11Å; A523-N528 WeakPolarHBondContact CB-OD1 3.49Å; A523-N528 PolarHBondContact O-ND2 3.46Å; A523-P609 HydrophobicContact CB-CB 4.18Å; A523-P609 WeakPolarHBondContact O-CG 3.43Å; A523-Y611 WeakPolarHBondContact CB-O 3.37Å
524	L	95.8	Very high	96.1	Very high	7 Å²	7	3.9 Å²	3.9	4%	0.037	2%	0.024	C	C	.	.	H	α-helix	trans	-63.4	-38.6	176	-178.9	72	0	0	0	112.6	Y168 W178 Y209 L211 H263 L520 H521 G526 W615	Y168-L524 HydrophobicContact CG-CD2 4.4Å; W178-L524 HydrophobicContact CH2-CB 4.25Å; W178-L524 HydrophobicContact CH2-CD2 3.86Å; W178-L524 HydrophobicContact CZ3-CB 4.49Å; W178-L524 HydrophobicContact CZ3-CD2 4.15Å; Y209-L524 HydrophobicContact CE1-CG 4.27Å; L211-L524 HydrophobicContact CD2-CD1 3.77Å; L211-L524 HydrophobicContact CD2-CD2 4.24Å; H263-L524 PolarHBondContact CE1-O 2.96Å; L520-L524 WeakPolarHBondContact O-CB 3.45Å; L520-L524 PolarHBondContact O-N 2.97Å; H521-L524 PolarHBondContact O-N 3.12Å; L524-G526 PolarHBondContact O-N 3.41Å; L524-W615 HydrophobicContact CD1-CH2 3.9Å; L524-W615 HydrophobicContact CD1-CZ2 4.05Å
525	V	94.1	Very high	96.1	Very high	8 Å²	8	3.9 Å²	3.9	5%	0.048	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	16	175.7	-53.5	0	0	0	0	112.7	P205 E207 Y209 H521 H522 Y527	P205-V525 HydrophobicContact CB-CG2 4.34Å; P205-V525 HydrophobicContact CG-CG2 3.77Å; E207-V525 HydrophobicContact CB-CB 4.06Å; E207-V525 HydrophobicContact CB-CG1 4.24Å; E207-V525 HydrophobicContact CG-CB 3.81Å; E207-V525 HydrophobicContact CG-CG2 4.32Å; Y209-V525 HydrophobicContact CD1-CG1 4.41Å; H521-V525 WeakPolarHBondContact O-CG2 3.28Å; H521-V525 PolarHBondContact O-N 3.4Å; H522-V525 CarbonylContact O-C 3.56Å; H522-V525 PolarHBondContact O-N 3.41Å; V525-Y527 HydrophobicContact CG2-CD2 4.14Å; V525-Y527 PolarHBondContact O-N 2.88Å
526	G	93	Very high	95.9	Very high	15 Å²	15	3.8 Å²	3.8	16%	0.155	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-16	168.6	0	0	0	0	0	115.9	H522 A523 L524 N528 W603	H522-G526 PolarHBondContact O-N 3.41Å; A523-G526 PolarHBondContact O-N 3.25Å; A523-G526 VanDerWaalsContact O-N 3.11Å; L524-G526 PolarHBondContact O-N 3.41Å; G526-N528 VanDerWaalsContact C-N 3.33Å; G526-N528 VanDerWaalsContact C-ND2 3.3Å; G526-N528 PolarHBondContact O-N 2.84Å; G526-N528 PolarHBondContact O-ND2 2.79Å; G526-W603 PolarHBondContact O-NE1 3.32Å
527	Y	95	Very high	95.6	Very high	8 Å²	8	3.6 Å²	3.6	3%	0.031	2%	0.023	C	C	.	.			trans	-79.1	74.7	-177.6	-72.9	-77.4	0	0	0	112.3	P205 T489 R490 S491 S492 I498 H522 V525 L530	P205-Y527 HydrophobicContact CB-CD2 3.45Å; P205-Y527 VanDerWaalsContact CB-CD2 3.45Å; P205-Y527 HydrophobicContact CB-CE2 3.6Å; P205-Y527 HydrophobicContact CB-CG 4.18Å; P205-Y527 HydrophobicContact CG-CD2 3.89Å; P205-Y527 HydrophobicContact CG-CG 4.43Å; T489-Y527 VanDerWaalsContact CA-OH 3.29Å; T489-Y527 WeakPolarHBondContact CA-OH 3.36Å; T489-Y527 PolarHBondContact N-OH 3.07Å; R490-Y527 PolarHBondContact N-OH 3.05Å; S491-Y527 WeakPolarHBondContact CA-OH 3.48Å; S491-Y527 PolarHBondContact N-OH 3.43Å; S491-Y527 PolarHBondContact OG-OH 2.98Å; S492-Y527 VanDerWaalsContact CA-CE1 3.43Å; S492-Y527 PolarHBondContact N-OH 3.05Å; I498-Y527 HydrophobicContact CB-CD1 4.37Å; I498-Y527 HydrophobicContact CD1-CD1 4.26Å; I498-Y527 HydrophobicContact CD1-CE1 4.06Å; I498-Y527 HydrophobicContact CG1-CD1 3.32Å; I498-Y527 HydrophobicContact CG1-CE1 3.61Å; I498-Y527 HydrophobicContact CG1-CG 4.17Å; H522-Y527 WeakPolarHBondContact O-CA 3.48Å; H522-Y527 PolarHBondContact O-N 3.37Å; V525-Y527 HydrophobicContact CG2-CD2 4.14Å; V525-Y527 PolarHBondContact O-N 2.88Å; Y527-L530 WeakPolarHBondContact O-CD2 3.43Å
528	N	94.8	Very high	95.3	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.011	3%	0.027	C	C	.	.			trans	-84.1	-23.8	-175	-73.6	-86.9	0	0	0	113.8	A523 G526 L530 W603 P609 I610	A523-N528 WeakPolarHBondContact CB-OD1 3.49Å; A523-N528 PolarHBondContact O-ND2 3.46Å; G526-N528 VanDerWaalsContact C-N 3.33Å; G526-N528 VanDerWaalsContact C-ND2 3.3Å; G526-N528 PolarHBondContact O-N 2.84Å; G526-N528 PolarHBondContact O-ND2 2.79Å; N528-L530 PolarHBondContact O-N 3.29Å; N528-W603 PolarHBondContact ND2-NE1 3.43Å; N528-P609 WeakPolarHBondContact OD1-CA 3.12Å; N528-I610 HydrophobicContact CB-CB 4.27Å; N528-I610 HydrophobicContact CB-CD1 3.98Å; N528-I610 HydrophobicContact CB-CG1 3.94Å; N528-I610 PolarHBondContact OD1-N 3.28Å
529	F	96.3	Very high	94.9	Very high	9 Å²	9	5 Å²	5	4%	0.039	3%	0.031	C	C	.	.	S	Bend	trans	-91.7	92.4	173.7	-54.4	-64.8	0	0	0	109.6	L277 P278 M280 F497 I498 A600 W603 I610	L277-F529 HydrophobicContact CD2-CE2 3.8Å; L277-F529 HydrophobicContact CD2-CZ 3.49Å; L277-F529 VanDerWaalsContact CD2-CZ 3.49Å; P278-F529 HydrophobicContact CG-CB 3.79Å; P278-F529 HydrophobicContact CG-CD1 4.14Å; P278-F529 HydrophobicContact CG-CD2 3.7Å; P278-F529 HydrophobicContact CG-CE2 4.38Å; P278-F529 HydrophobicContact CG-CG 3.56Å; M280-F529 HydrophobicContact CE-CD1 3.84Å; M280-F529 HydrophobicContact CE-CE1 3.64Å; M280-F529 HydrophobicContact CE-CG 4.5Å; M280-F529 HydrophobicContact CE-CZ 4.15Å; M280-F529 HydrophobicContact SD-CE1 4.12Å; F497-F529 WeakPolarHBondContact CA-O 3.32Å; F497-F529 HydrophobicContact CD1-CB 3.91Å; F497-F529 HydrophobicContact CD2-CB 4.36Å; F497-F529 HydrophobicContact CE1-CB 3.85Å; F497-F529 HydrophobicContact CE2-CB 4.3Å; F497-F529 HydrophobicContact CG-CB 4.17Å; F497-F529 HydrophobicContact CZ-CB 4.05Å; F497-F529 HydrophobicContact CZ-CD1 4.34Å; I498-F529 PolarHBondContact N-O 2.89Å; F529-A600 HydrophobicContact CE1-CB 3.83Å; F529-A600 HydrophobicContact CZ-CB 3.7Å; F529-W603 HydrophobicContact CE2-CD2 4.24Å; F529-W603 AromaticContact CE2-CE3 3.69Å; F529-W603 HydrophobicContact CE2-CE3 3.69Å; F529-W603 HydrophobicContact CE2-CH2 4.09Å; F529-W603 AromaticContact CE2-CZ3 3.62Å; F529-W603 HydrophobicContact CE2-CZ3 3.62Å; F529-W603 HydrophobicContact CZ-CE3 4.1Å; F529-W603 HydrophobicContact CZ-CZ3 4.4Å; F529-I610 HydrophobicContact CE1-CD1 3.91Å; F529-I610 HydrophobicContact CZ-CD1 4.1Å
530	L	95	Very high	94.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.7	-176.5	71.3	113.8	0	0	0	113.6	I498 M500 L519 H522 Y527 N528 P532 P561	I498-L530 CarbonylContact O-C 3.52Å; I498-L530 WeakPolarHBondContact O-CA 3.38Å; I498-L530 VanDerWaalsContact O-CB 3.29Å; I498-L530 WeakPolarHBondContact O-CB 3.01Å; M500-L530 HydrophobicContact CE-CD1 3.55Å; L519-L530 HydrophobicContact CD1-CD2 4.12Å; H522-L530 HydrophobicContact CB-CD2 3.87Å; Y527-L530 WeakPolarHBondContact O-CD2 3.43Å; N528-L530 PolarHBondContact O-N 3.29Å; L530-P532 HydrophobicContact CD1-CB 4.41Å; L530-P532 WeakPolarHBondContact O-CD 3.42Å; L530-P561 HydrophobicContact CD2-CG 4.47Å; L530-P561 HydrophobicContact CG-CG 4.11Å; L530-P561 WeakPolarHBondContact O-CB 3.43Å
531	I	96.3	Very high	93.1	Very high	8 Å²	8	9.5 Å²	9.5	4%	0.041	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.6	168.3	-56.4	-171.6	0	0	0	107	F287 I484 F497 I498 K499 M500 V562	F287-I531 HydrophobicContact CD1-CD1 4.39Å; F287-I531 HydrophobicContact CE1-CD1 4.22Å; F287-I531 HydrophobicContact CZ-CD1 4.34Å; I484-I531 HydrophobicContact CD1-CD1 3.63Å; I484-I531 HydrophobicContact CG1-CD1 3.92Å; I484-I531 HydrophobicContact CG2-CD1 3.99Å; F497-I531 HydrophobicContact CB-CG1 4.45Å; F497-I531 HydrophobicContact CD1-CG1 4.06Å; I498-I531 PolarHBondContact O-N 2.72Å; K499-I531 WeakPolarHBondContact CA-O 3.41Å; M500-I531 WeakPolarHBondContact CB-O 3.35Å; M500-I531 PolarHBondContact N-O 2.96Å; I531-V562 HydrophobicContact CG1-CB 4.19Å; I531-V562 HydrophobicContact CG1-CG1 4.37Å; I531-V562 HydrophobicContact CG1-CG2 4.07Å; I531-V562 HydrophobicContact CG2-CB 4.44Å; I531-V562 HydrophobicContact CG2-CG1 4.36Å
532	P	95.3	Very high	92.5	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.032	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-65.3	163.1	178	31.1	-38.1	0	0	0	111.1	M500 L530 L560 V562	M500-P532 HydrophobicContact CE-CB 4.18Å; M500-P532 HydrophobicContact SD-CB 4.46Å; L530-P532 HydrophobicContact CD1-CB 4.41Å; L530-P532 WeakPolarHBondContact O-CD 3.42Å; P532-L560 HydrophobicContact CB-CB 4.44Å; P532-L560 HydrophobicContact CB-CD1 3.55Å; P532-L560 HydrophobicContact CG-CB 3.9Å; P532-L560 HydrophobicContact CG-CD1 3.77Å; P532-L560 HydrophobicContact CG-CG 4.49Å; P532-V562 VanDerWaalsContact CD-O 3.26Å; P532-V562 WeakPolarHBondContact CD-O 3.5Å; P532-V562 VanDerWaalsContact CG-O 3.29Å; P532-V562 WeakPolarHBondContact CG-O 3.39Å
533	D	94.6	Very high	92	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.043	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-65.9	145.7	170.9	-162	24.8	0	0	0	111.1	K289 P502 L503 S538 W553	K289-D533 IonicContact NZ-OD1 2.73Å; K289-D533 PolarHBondContact NZ-OD1 2.99Å; P502-D533 WeakPolarHBondContact CA-OD2 3.5Å; L503-D533 HydrophobicContact CB-CB 4.45Å; L503-D533 HydrophobicContact CG-CB 4.26Å; L503-D533 PolarHBondContact N-OD2 3.13Å; D533-S538 VanDerWaalsContact CG-OG 3.25Å; D533-S538 PolarHBondContact OD1-OG 2.87Å; D533-S538 PolarHBondContact OD2-N 2.88Å; D533-S538 PolarHBondContact OD2-OG 3.2Å; D533-W553 PolarHBondContact O-NE1 3.43Å
534	A	95.3	Very high	91.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-65.7	156.2	-165.3	0	0	0	0	0	113.3	K289 G536 G537 W553 S564 H566	K289-A534 HydrophobicContact CD-CB 4.28Å; A534-G536 PolarHBondContact O-N 3.05Å; A534-G536 VanDerWaalsContact O-N 3.09Å; A534-G537 WeakPolarHBondContact O-CA 3.32Å; A534-G537 PolarHBondContact O-N 3.07Å; A534-W553 PolarHBondContact O-NE1 3.11Å; A534-S564 CarbonylContact C-O 3.5Å; A534-S564 WeakPolarHBondContact CA-O 3.42Å; A534-S564 WeakPolarHBondContact CB-O 3.5Å; A534-H566 HydrophobicContact CB-CB 3.78Å
535	V	96.6	Very high	91.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-51	116	-175.6	178.6	0	0	0	0	112	F550 W553 L554 A557 S564 F565	V535-F550 HydrophobicContact CB-CE2 4.11Å; V535-F550 HydrophobicContact CB-CZ 4.43Å; V535-F550 HydrophobicContact CG1-CD1 4.2Å; V535-F550 HydrophobicContact CG1-CD2 3.63Å; V535-F550 HydrophobicContact CG1-CE1 4.07Å; V535-F550 HydrophobicContact CG1-CE2 3.48Å; V535-F550 VanDerWaalsContact CG1-CE2 3.48Å; V535-F550 HydrophobicContact CG1-CG 4Å; V535-F550 HydrophobicContact CG1-CZ 3.71Å; V535-F550 WeakPolarHBondContact CG1-O 3.45Å; V535-W553 HydrophobicContact CG1-CB 4.19Å; V535-L554 HydrophobicContact CG1-CB 3.94Å; V535-L554 HydrophobicContact CG2-CD1 4.39Å; V535-A557 HydrophobicContact CG2-CB 3.93Å; V535-S564 PolarHBondContact N-O 2.8Å; V535-F565 HydrophobicContact CB-CD1 3.94Å; V535-F565 HydrophobicContact CB-CE1 4.04Å; V535-F565 HydrophobicContact CG1-CE1 4.5Å; V535-F565 HydrophobicContact CG2-CD1 3.96Å; V535-F565 HydrophobicContact CG2-CE1 3.69Å; V535-F565 HydrophobicContact CG2-CZ 4.28Å
536	G	92.9	Very high	91.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	10.1	-177.2	0	0	0	0	0	115.8	S505 A534 V544	S505-G536 VanDerWaalsContact CA-O 3.25Å; S505-G536 WeakPolarHBondContact CA-O 3.3Å; S505-G536 WeakPolarHBondContact CB-O 3.18Å; S505-G536 PolarHBondContact OG-O 3.01Å; A534-G536 PolarHBondContact O-N 3.05Å; A534-G536 VanDerWaalsContact O-N 3.09Å; G536-V544 WeakPolarHBondContact O-CG2 3.49Å
537	G	92.9	Very high	91.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.			trans	79.7	162.9	-179.8	0	0	0	0	0	113.7	A534 W553	A534-G537 WeakPolarHBondContact O-CA 3.32Å; A534-G537 PolarHBondContact O-N 3.07Å; G537-W553 VanDerWaalsContact CA-CH2 3.42Å; G537-W553 VanDerWaalsContact N-CH2 3.34Å; G537-W553 VanDerWaalsContact N-CZ2 3.28Å
538	S	91	Very high	91.3	Very high	14 Å²	14	31.1 Å²	31.1	10%	0.098	18%	0.181	C	C	.	.			trans	-143.4	2.4	178.1	73.4	0	0	0	0	116.3	K289 L503 D533 S540 G541	K289-S538 PolarHBondContact NZ-OG 2.87Å; L503-S538 PolarHBondContact O-N 3.36Å; D533-S538 VanDerWaalsContact CG-OG 3.25Å; D533-S538 PolarHBondContact OD1-OG 2.87Å; D533-S538 PolarHBondContact OD2-N 2.88Å; D533-S538 PolarHBondContact OD2-OG 3.2Å; S538-S540 VanDerWaalsContact C-N 3.32Å; S538-S540 PolarHBondContact O-N 2.97Å; S538-G541 PolarHBondContact O-N 2.78Å
539	L	88.6	Confident	91.4	Very high	19 Å²	19	31.2 Å²	31.2	10%	0.099	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-40.7	-177.9	-179.6	53.6	0	0	0	112.9	K196 P502 L503 Q504 G541	K196-L539 HydrophobicContact CB-CD1 4.19Å; K196-L539 HydrophobicContact CD-CD1 4.19Å; K196-L539 HydrophobicContact CG-CD1 3.98Å; K196-L539 PolarHBondContact NZ-O 3.19Å; P502-L539 HydrophobicContact CB-CB 3.97Å; P502-L539 HydrophobicContact CB-CD1 4.22Å; L503-L539 WeakPolarHBondContact O-CB 3.43Å; L503-L539 PolarHBondContact O-N 2.72Å; Q504-L539 HydrophobicContact CG-CD2 4.14Å; L539-G541 VanDerWaalsContact C-N 3.28Å; L539-G541 PolarHBondContact O-N 2.58Å
540	S	81.4	Confident	91.4	Very high	57 Å²	57	30.8 Å²	30.8	40%	0.399	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.5	175.1	59.8	0	0	0	0	113.4	S538 D542	S538-S540 VanDerWaalsContact C-N 3.32Å; S538-S540 PolarHBondContact O-N 2.97Å; S540-D542 PolarHBondContact O-N 2.8Å; S540-D542 PolarHBondContact OG-N 2.84Å
541	G	76.9	Confident	91.5	Very high	39 Å²	39	31 Å²	31	40%	0.402	18%	0.18	S	C	.	.			trans	80	-19.8	-171.7	0	0	0	0	0	114.9	S538 L539 H566	S538-G541 PolarHBondContact O-N 2.78Å; L539-G541 VanDerWaalsContact C-N 3.28Å; L539-G541 PolarHBondContact O-N 2.58Å; G541-H566 PolarHBondContact O-NE2 2.85Å
542	D	83.8	Confident	91.6	Very high	123 Å²	123	30.6 Å²	30.6	66%	0.658	18%	0.178	S	C	*	.	S	Bend	trans	-70.9	170.2	178.2	-81.8	-42.3	0	0	0	113.1	S540 H566	S540-D542 PolarHBondContact O-N 2.8Å; S540-D542 PolarHBondContact OG-N 2.84Å; D542-H566 PolarHBondContact O-CD2 2.79Å; D542-H566 VanDerWaalsContact O-CD2 3.28Å; D542-H566 PolarHBondContact O-NE2 3.25Å
543	L	86.6	Confident	91.7	Very high	81 Å²	81	30.4 Å²	30.4	42%	0.424	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-91.2	138.3	173.4	-61.1	-179.6	0	0	0	110.9	L291 T567 V571	L291-L543 HydrophobicContact CD1-CD2 4.12Å; L543-T567 HydrophobicContact CB-CG2 4.39Å; L543-V571 HydrophobicContact CD1-CG2 4.4Å
544	V	88.3	Confident	91.9	Very high	7 Å²	7	30 Å²	30	4%	0.042	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-73.7	128.4	-175.8	177.9	0	0	0	0	110.1	G536 L549 F550 T567 F572	G536-V544 WeakPolarHBondContact O-CG2 3.49Å; V544-L549 HydrophobicContact CG1-CD2 4.43Å; V544-F550 HydrophobicContact CG1-CB 4.45Å; V544-T567 HydrophobicContact CB-CG2 4.24Å; V544-T567 WeakPolarHBondContact CB-OG1 3.09Å; V544-T567 WeakPolarHBondContact CG2-OG1 3.4Å; V544-T567 PolarHBondContact N-OG1 2.74Å; V544-F572 VanDerWaalsContact O-CE1 3.27Å; V544-F572 WeakPolarHBondContact O-CE1 3.15Å; V544-F572 WeakPolarHBondContact O-CZ 3.44Å
545	T	85.9	Confident	92	Very high	127 Å²	127	30 Å²	30	78%	0.779	18%	0.175	S	C	*	.			trans	-108.3	-16.7	-178.9	56.5	0	0	0	0	113.6	K547	T545-K547 PolarHBondContact O-N 3.22Å
546	D	93.6	Very high	92.1	Very high	43 Å²	43	30 Å²	30	23%	0.23	18%	0.175	C	C	.	.			trans	-81.7	107.9	174.8	-170.6	-6.3	0	0	0	110.3	W507 E548 L549 F550 K645	W507-D546 PolarHBondContact NE1-OD2 3.48Å; D546-E548 VanDerWaalsContact C-N 3.31Å; D546-E548 PolarHBondContact O-N 2.75Å; D546-E548 PolarHBondContact OD1-N 3.01Å; D546-E548 VanDerWaalsContact OD1-N 3.13Å; D546-L549 HydrophobicContact CB-CB 3.91Å; D546-F550 PolarHBondContact O-N 2.95Å; D546-F550 VanDerWaalsContact O-N 3.09Å; D546-K645 IonicContact OD1-NZ 2.64Å; D546-K645 IonicContact OD2-NZ 3.79Å; D546-K645 PolarHBondContact OD2-NZ 3.4Å
547	K	94.9	Very high	92.3	Very high	75 Å²	75	30.1 Å²	30.1	33%	0.326	18%	0.176	S	C	.	.	H	α-helix	trans	-64	-37.3	179.6	-64.3	172.8	-173.7	173.2	0	112.1	T545 F550 I551 F572 E574	T545-K547 PolarHBondContact O-N 3.22Å; K547-F550 PolarHBondContact O-N 3.31Å; K547-I551 VanDerWaalsContact O-CG1 3.23Å; K547-I551 WeakPolarHBondContact O-CG1 3.27Å; K547-I551 PolarHBondContact O-N 2.96Å; K547-F572 HydrophobicContact CG-CB 4.44Å; K547-F572 HydrophobicContact CG-CD1 3.53Å; K547-F572 HydrophobicContact CG-CE1 4.06Å; K547-F572 HydrophobicContact CG-CG 4.17Å; K547-E574 WeakPolarHBondContact CE-OE2 3.21Å; K547-E574 IonicContact NZ-OE1 3.51Å; K547-E574 PolarHBondContact NZ-OE1 3.03Å; K547-E574 IonicContact NZ-OE2 3.78Å; K547-E574 PolarHBondContact NZ-OE2 3.21Å
548	E	96.4	Very high	92.5	Very high	37 Å²	37	30.1 Å²	30.1	17%	0.173	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-45.5	-176.2	-166.5	-168.1	160.7	0	0	110	W507 D546 F550 I551 R552 K645 G646 L683	W507-E548 HydrophobicContact CH2-CG 4.06Å; W507-E548 HydrophobicContact CZ2-CB 4.15Å; W507-E548 HydrophobicContact CZ2-CG 3.94Å; D546-E548 VanDerWaalsContact C-N 3.31Å; D546-E548 PolarHBondContact O-N 2.75Å; D546-E548 PolarHBondContact OD1-N 3.01Å; D546-E548 VanDerWaalsContact OD1-N 3.13Å; E548-F550 VanDerWaalsContact C-N 3.35Å; E548-F550 PolarHBondContact O-N 3.31Å; E548-I551 PolarHBondContact O-N 3.43Å; E548-R552 PolarHBondContact O-N 3.44Å; E548-K645 WeakPolarHBondContact OE2-CE 3.41Å; E548-G646 WeakPolarHBondContact OE1-CA 3.41Å; E548-G646 PolarHBondContact OE1-N 3.39Å; E548-L683 HydrophobicContact CG-CD1 3.82Å; E548-L683 HydrophobicContact CG-CD2 4.27Å
549	L	96.8	Very high	92.9	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-58.9	-44.9	172.5	-179.9	64.8	0	0	0	111.6	S505 W507 L512 V544 D546 I551 W553	S505-L549 WeakPolarHBondContact O-CD2 3.3Å; W507-L549 HydrophobicContact CD2-CD1 4Å; W507-L549 HydrophobicContact CG-CD1 4.16Å; W507-L549 HydrophobicContact CZ2-CB 4.04Å; W507-L549 HydrophobicContact CZ2-CD1 4.39Å; L512-L549 HydrophobicContact CB-CD1 4Å; L512-L549 HydrophobicContact CD1-CD1 4.29Å; L512-L549 HydrophobicContact CD2-CD1 4.24Å; L512-L549 HydrophobicContact CG-CD1 4.42Å; V544-L549 HydrophobicContact CG1-CD2 4.43Å; D546-L549 HydrophobicContact CB-CB 3.91Å; L549-I551 VanDerWaalsContact C-N 3.35Å; L549-I551 PolarHBondContact O-N 2.92Å; L549-W553 HydrophobicContact CD1-CE3 4.03Å; L549-W553 HydrophobicContact CD1-CZ3 4.5Å; L549-W553 HydrophobicContact CG-CE3 4.41Å; L549-W553 WeakPolarHBondContact O-CB 3.41Å; L549-W553 PolarHBondContact O-N 3.43Å
550	F	96.9	Very high	93.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-41.9	178.5	-175.6	-85.7	0	0	0	112.2	V535 V544 D546 K547 E548 L554 F565 T567 P569 F572 V577	V535-F550 HydrophobicContact CB-CE2 4.11Å; V535-F550 HydrophobicContact CB-CZ 4.43Å; V535-F550 HydrophobicContact CG1-CD1 4.2Å; V535-F550 HydrophobicContact CG1-CD2 3.63Å; V535-F550 HydrophobicContact CG1-CE1 4.07Å; V535-F550 HydrophobicContact CG1-CE2 3.48Å; V535-F550 VanDerWaalsContact CG1-CE2 3.48Å; V535-F550 HydrophobicContact CG1-CG 4Å; V535-F550 HydrophobicContact CG1-CZ 3.71Å; V535-F550 WeakPolarHBondContact CG1-O 3.45Å; V544-F550 HydrophobicContact CG1-CB 4.45Å; D546-F550 PolarHBondContact O-N 2.95Å; D546-F550 VanDerWaalsContact O-N 3.09Å; K547-F550 PolarHBondContact O-N 3.31Å; E548-F550 VanDerWaalsContact C-N 3.35Å; E548-F550 PolarHBondContact O-N 3.31Å; F550-L554 VanDerWaalsContact O-CB 3.3Å; F550-L554 WeakPolarHBondContact O-CB 3.26Å; F550-L554 PolarHBondContact O-N 2.68Å; F550-F565 HydrophobicContact CZ-CD1 4.28Å; F550-F565 HydrophobicContact CZ-CE1 4.25Å; F550-T567 HydrophobicContact CE2-CG2 4.49Å; F550-T567 WeakPolarHBondContact CE2-O 3.16Å; F550-P569 HydrophobicContact CE1-CB 4.26Å; F550-P569 HydrophobicContact CZ-CB 4.15Å; F550-F572 HydrophobicContact CB-CE2 4Å; F550-F572 HydrophobicContact CB-CZ 3.67Å; F550-F572 AromaticContact CD1-CE2 3.81Å; F550-F572 HydrophobicContact CD1-CE2 3.81Å; F550-F572 HydrophobicContact CD1-CZ 4.37Å; F550-F572 AromaticContact CD2-CE2 3.56Å; F550-F572 HydrophobicContact CD2-CE2 3.56Å; F550-F572 AromaticContact CD2-CZ 3.72Å; F550-F572 HydrophobicContact CD2-CZ 3.72Å; F550-F572 HydrophobicContact CE1-CE2 4.17Å; F550-F572 AromaticContact CE2-CE2 3.94Å; F550-F572 HydrophobicContact CE2-CE2 3.94Å; F550-F572 HydrophobicContact CE2-CZ 4.48Å; F550-F572 AromaticContact CG-CE2 3.49Å; F550-F572 HydrophobicContact CG-CE2 3.49Å; F550-F572 VanDerWaalsContact CG-CE2 3.49Å; F550-F572 AromaticContact CG-CZ 3.65Å; F550-F572 HydrophobicContact CG-CZ 3.65Å; F550-F572 HydrophobicContact CZ-CE2 4.23Å; F550-V577 HydrophobicContact CD1-CG1 3.46Å; F550-V577 VanDerWaalsContact CD1-CG1 3.46Å; F550-V577 HydrophobicContact CE1-CG1 3.51Å
551	I	97.4	Very high	94.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-70.4	-48.5	179.8	-62.6	165	0	0	0	110.9	K547 E548 L549 W553 L554 E555 V577 L580 L683	K547-I551 VanDerWaalsContact O-CG1 3.23Å; K547-I551 WeakPolarHBondContact O-CG1 3.27Å; K547-I551 PolarHBondContact O-N 2.96Å; E548-I551 PolarHBondContact O-N 3.43Å; L549-I551 VanDerWaalsContact C-N 3.35Å; L549-I551 PolarHBondContact O-N 2.92Å; I551-W553 VanDerWaalsContact C-N 3.28Å; I551-W553 PolarHBondContact O-N 3.16Å; I551-L554 WeakPolarHBondContact O-CB 3.08Å; I551-L554 PolarHBondContact O-N 3Å; I551-L554 VanDerWaalsContact O-N 3.11Å; I551-E555 WeakPolarHBondContact O-CG 3.4Å; I551-E555 PolarHBondContact O-N 3.21Å; I551-V577 HydrophobicContact CD1-CG2 4.22Å; I551-V577 HydrophobicContact CG1-CG2 4.43Å; I551-L580 HydrophobicContact CD1-CD1 3.94Å; I551-L580 HydrophobicContact CG1-CD1 4.14Å; I551-L580 HydrophobicContact CG2-CD1 4.03Å; I551-L683 HydrophobicContact CB-CD1 4.35Å; I551-L683 HydrophobicContact CD1-CG 4.49Å; I551-L683 HydrophobicContact CG2-CD1 4.25Å; I551-L683 VanDerWaalsContact CG2-O 3.25Å; I551-L683 WeakPolarHBondContact CG2-O 3.41Å
552	R	97.9	Very high	95	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-32.9	176.3	-65	-49	-165.6	-177.9	5	112.9	W507 L512 E548 E555 I556 I642 A647 V681 P682 L683 D685	W507-R552 HydrophobicContact CH2-CB 4.04Å; W507-R552 HydrophobicContact CH2-CG 3.68Å; W507-R552 HydrophobicContact CZ3-CB 4.24Å; W507-R552 HydrophobicContact CZ3-CG 4.1Å; L512-R552 HydrophobicContact CD2-CB 4.25Å; E548-R552 PolarHBondContact O-N 3.44Å; R552-E555 WeakPolarHBondContact CD-OE1 3.31Å; R552-E555 WeakPolarHBondContact CD-OE2 3.17Å; R552-E555 IonicContact CZ-OE1 3.65Å; R552-E555 IonicContact CZ-OE2 3.74Å; R552-E555 IonicContact NE-OE2 3.41Å; R552-E555 IonicContact NH1-OE1 3.16Å; R552-E555 PolarHBondContact NH1-OE1 3.07Å; R552-E555 IonicContact NH1-OE2 2.61Å; R552-E555 PolarHBondContact NH1-OE2 2.82Å; R552-I556 WeakPolarHBondContact O-CG1 3.31Å; R552-I556 PolarHBondContact O-N 3.44Å; R552-I642 HydrophobicContact CG-CG2 4.35Å; R552-A647 PolarHBondContact NH2-O 3.26Å; R552-V681 PolarHBondContact NH2-O 3.4Å; R552-P682 PolarHBondContact NH1-O 3.48Å; R552-P682 PolarHBondContact NH2-O 2.99Å; R552-L683 HydrophobicContact CG-CD1 4.36Å; R552-D685 PolarHBondContact NH1-O 2.98Å
553	W	97.9	Very high	95.6	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-71	-38.6	173.2	-157.3	-53	0	0	0	112.1	L503 Q504 L512 I515 D533 A534 V535 G537 L549 I551 I556 A557	L503-W553 HydrophobicContact CB-CH2 3.77Å; L503-W553 HydrophobicContact CB-CZ2 4.04Å; L503-W553 HydrophobicContact CD1-CH2 4.29Å; L503-W553 HydrophobicContact CD1-CZ2 4.05Å; Q504-W553 WeakPolarHBondContact O-CH2 3.42Å; Q504-W553 WeakPolarHBondContact O-CZ3 3.45Å; L512-W553 HydrophobicContact CB-CE3 4.07Å; L512-W553 HydrophobicContact CB-CZ3 4.18Å; L512-W553 HydrophobicContact CD1-CB 3.62Å; L512-W553 HydrophobicContact CD1-CD2 3.77Å; L512-W553 HydrophobicContact CD1-CE3 3.58Å; L512-W553 HydrophobicContact CD1-CG 3.82Å; L512-W553 HydrophobicContact CD1-CZ3 4.46Å; L512-W553 HydrophobicContact CG-CE3 4.46Å; I515-W553 HydrophobicContact CD1-CD2 3.77Å; I515-W553 VanDerWaalsContact CD1-CE2 3.49Å; I515-W553 HydrophobicContact CD1-CE3 4.39Å; I515-W553 HydrophobicContact CD1-CG 4.06Å; I515-W553 HydrophobicContact CD1-CH2 4.47Å; I515-W553 HydrophobicContact CD1-CZ2 3.88Å; I515-W553 HydrophobicContact CG1-CZ2 4.26Å; D533-W553 PolarHBondContact O-NE1 3.43Å; A534-W553 PolarHBondContact O-NE1 3.11Å; V535-W553 HydrophobicContact CG1-CB 4.19Å; G537-W553 VanDerWaalsContact CA-CH2 3.42Å; G537-W553 VanDerWaalsContact N-CH2 3.34Å; G537-W553 VanDerWaalsContact N-CZ2 3.28Å; L549-W553 HydrophobicContact CD1-CE3 4.03Å; L549-W553 HydrophobicContact CD1-CZ3 4.5Å; L549-W553 HydrophobicContact CG-CE3 4.41Å; L549-W553 WeakPolarHBondContact O-CB 3.41Å; L549-W553 PolarHBondContact O-N 3.43Å; I551-W553 VanDerWaalsContact C-N 3.28Å; I551-W553 PolarHBondContact O-N 3.16Å; W553-I556 PolarHBondContact O-N 2.89Å; W553-A557 WeakPolarHBondContact O-CB 3.47Å; W553-A557 PolarHBondContact O-N 2.77Å
554	L	98.1	Very high	96.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.9	-42.9	174.2	172.1	67.9	0	0	0	111.6	V535 F550 I551 I556 A557 A558 L563 F565 L580 T581 Y584	V535-L554 HydrophobicContact CG1-CB 3.94Å; V535-L554 HydrophobicContact CG2-CD1 4.39Å; F550-L554 VanDerWaalsContact O-CB 3.3Å; F550-L554 WeakPolarHBondContact O-CB 3.26Å; F550-L554 PolarHBondContact O-N 2.68Å; I551-L554 WeakPolarHBondContact O-CB 3.08Å; I551-L554 PolarHBondContact O-N 3Å; I551-L554 VanDerWaalsContact O-N 3.11Å; L554-I556 VanDerWaalsContact C-N 3.35Å; L554-I556 PolarHBondContact O-N 3.17Å; L554-A557 PolarHBondContact O-N 2.64Å; L554-A558 PolarHBondContact O-N 3.1Å; L554-L563 HydrophobicContact CD1-CD2 4.27Å; L554-F565 HydrophobicContact CD1-CE1 4.13Å; L554-F565 HydrophobicContact CD1-CZ 4.04Å; L554-L580 HydrophobicContact CD2-CB 4.37Å; L554-T581 HydrophobicContact CD1-CG2 4.47Å; L554-Y584 HydrophobicContact CD2-CD2 3.94Å; L554-Y584 HydrophobicContact CD2-CG 4.33Å; L554-Y584 HydrophobicContact CG-CD2 4.09Å; L554-Y584 HydrophobicContact CG-CG 4.07Å
555	E	97.7	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.4	-46.7	174.7	-77	167.9	-159.7	0	0	111.8	I551 R552 F559 Y584 V686	I551-E555 WeakPolarHBondContact O-CG 3.4Å; I551-E555 PolarHBondContact O-N 3.21Å; R552-E555 WeakPolarHBondContact CD-OE1 3.31Å; R552-E555 WeakPolarHBondContact CD-OE2 3.17Å; R552-E555 IonicContact CZ-OE1 3.65Å; R552-E555 IonicContact CZ-OE2 3.74Å; R552-E555 IonicContact NE-OE2 3.41Å; R552-E555 IonicContact NH1-OE1 3.16Å; R552-E555 PolarHBondContact NH1-OE1 3.07Å; R552-E555 IonicContact NH1-OE2 2.61Å; R552-E555 PolarHBondContact NH1-OE2 2.82Å; E555-F559 VanDerWaalsContact O-CD2 3.28Å; E555-F559 WeakPolarHBondContact O-CD2 3.44Å; E555-Y584 HydrophobicContact CG-CE1 4.29Å; E555-Y584 HydrophobicContact CG-CE2 4.13Å; E555-V686 HydrophobicContact CB-CB 4.26Å; E555-V686 HydrophobicContact CG-CB 4.45Å
556	I	98.1	Very high	96.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-67.1	-51.1	175.5	-59	171.5	0	0	0	110.2	L512 I515 R552 W553 L554 A558 F559 L560 P641 V643	L512-I556 HydrophobicContact CD1-CD1 3.81Å; L512-I556 HydrophobicContact CG-CD1 4.09Å; I515-I556 HydrophobicContact CB-CG2 4.46Å; I515-I556 HydrophobicContact CD1-CD1 4.27Å; I515-I556 HydrophobicContact CG2-CG2 3.72Å; R552-I556 WeakPolarHBondContact O-CG1 3.31Å; R552-I556 PolarHBondContact O-N 3.44Å; W553-I556 PolarHBondContact O-N 2.89Å; L554-I556 VanDerWaalsContact C-N 3.35Å; L554-I556 PolarHBondContact O-N 3.17Å; I556-A558 PolarHBondContact O-N 3.11Å; I556-A558 VanDerWaalsContact O-N 3.16Å; I556-F559 PolarHBondContact O-N 2.03Å; I556-L560 HydrophobicContact CG2-CD1 4.33Å; I556-L560 HydrophobicContact CG2-CD2 4.45Å; I556-P641 HydrophobicContact CD1-CB 4.28Å; I556-P641 HydrophobicContact CD1-CG 4.21Å; I556-P641 HydrophobicContact CG1-CB 3.57Å; I556-P641 HydrophobicContact CG1-CG 3.73Å; I556-V643 HydrophobicContact CD1-CG1 4.12Å
557	A	97.6	Very high	96.7	Very high	2 Å²	2	7.2 Å²	7.2	2%	0.017	3%	0.034	C	C	.	.	H	α-helix	trans	-61	-28	-171.7	0	0	0	0	0	113.6	V535 W553 L554 F559 L560 L563	V535-A557 HydrophobicContact CG2-CB 3.93Å; W553-A557 WeakPolarHBondContact O-CB 3.47Å; W553-A557 PolarHBondContact O-N 2.77Å; L554-A557 PolarHBondContact O-N 2.64Å; A557-F559 PolarHBondContact O-N 3.18Å; A557-L560 PolarHBondContact O-N 2.92Å; A557-L563 HydrophobicContact CB-CD2 3.81Å
558	A	97.6	Very high	96.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.1	176	0	0	0	0	0	114.1	L554 I556 L563 Y584 H588 V592	L554-A558 PolarHBondContact O-N 3.1Å; I556-A558 PolarHBondContact O-N 3.11Å; I556-A558 VanDerWaalsContact O-N 3.16Å; A558-L563 HydrophobicContact CB-CD2 4.46Å; A558-Y584 HydrophobicContact CB-CD1 3.59Å; A558-Y584 HydrophobicContact CB-CG 4.25Å; A558-H588 HydrophobicContact CB-CB 4.42Å; A558-H588 WeakPolarHBondContact O-CB 3.44Å; A558-H588 PolarHBondContact O-ND1 2.66Å; A558-V592 WeakPolarHBondContact O-CG2 3.23Å
559	F	98.1	Very high	96.4	Very high	6 Å²	6	2.5 Å²	2.5	3%	0.026	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.4	177.9	-67.9	-94.7	0	0	0	112.9	E555 I556 A557 K587 V592 Y611 F631 I633 V639 V686 V688	E555-F559 VanDerWaalsContact O-CD2 3.28Å; E555-F559 WeakPolarHBondContact O-CD2 3.44Å; I556-F559 PolarHBondContact O-N 2.03Å; A557-F559 PolarHBondContact O-N 3.18Å; F559-K587 HydrophobicContact CZ-CD 4.27Å; F559-V592 HydrophobicContact CD1-CG2 3.73Å; F559-V592 HydrophobicContact CE1-CG2 3.94Å; F559-V592 HydrophobicContact CG-CG2 4.28Å; F559-Y611 WeakPolarHBondContact O-CE1 3.27Å; F559-Y611 PolarHBondContact O-OH 2.86Å; F559-F631 HydrophobicContact CB-CE2 4.23Å; F559-F631 HydrophobicContact CB-CZ 3.84Å; F559-I633 HydrophobicContact CB-CD1 4.24Å; F559-I633 HydrophobicContact CD1-CD1 4.16Å; F559-V639 HydrophobicContact CB-CG1 4.33Å; F559-V639 HydrophobicContact CB-CG2 4.31Å; F559-V639 HydrophobicContact CD1-CG1 4.29Å; F559-V639 HydrophobicContact CD1-CG2 3.64Å; F559-V639 HydrophobicContact CD2-CG1 4.3Å; F559-V639 HydrophobicContact CE1-CG2 4.27Å; F559-V639 HydrophobicContact CG-CG1 4.03Å; F559-V639 HydrophobicContact CG-CG2 4.07Å; F559-V686 HydrophobicContact CE2-CG1 3.67Å; F559-V686 HydrophobicContact CZ-CG1 4.15Å; F559-V688 HydrophobicContact CE1-CG1 4.28Å; F559-V688 HydrophobicContact CE1-CG2 3.77Å; F559-V688 HydrophobicContact CE2-CG2 4.39Å; F559-V688 HydrophobicContact CZ-CG2 3.64Å
560	L	97.8	Very high	96.2	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.005	2%	0.02	C	C	.	.	S	Bend	trans	-90.1	169.3	174.9	-49.9	-174.7	0	0	0	110.4	I515 L519 P532 I556 A557 V562 H588 Y611 F631	I515-L560 HydrophobicContact CG2-CD1 3.61Å; L519-L560 HydrophobicContact CD1-CD2 3.97Å; L519-L560 HydrophobicContact CD2-CD2 3.45Å; L519-L560 VanDerWaalsContact CD2-CD2 3.45Å; L519-L560 HydrophobicContact CG-CD2 4.22Å; P532-L560 HydrophobicContact CB-CB 4.44Å; P532-L560 HydrophobicContact CB-CD1 3.55Å; P532-L560 HydrophobicContact CG-CB 3.9Å; P532-L560 HydrophobicContact CG-CD1 3.77Å; P532-L560 HydrophobicContact CG-CG 4.49Å; I556-L560 HydrophobicContact CG2-CD1 4.33Å; I556-L560 HydrophobicContact CG2-CD2 4.45Å; A557-L560 PolarHBondContact O-N 2.92Å; L560-V562 VanDerWaalsContact C-N 3.33Å; L560-V562 PolarHBondContact O-N 3.32Å; L560-H588 PolarHBondContact O-CE1 2.88Å; L560-Y611 WeakPolarHBondContact CA-OH 3.46Å; L560-F631 HydrophobicContact CD2-CZ 4.24Å
561	P	96.9	Very high	95.9	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.006	4%	0.04	C	C	.	.	S	Bend	trans	-66.6	-28.5	-168.7	-24.2	34.4	0	0	0	115.8	L283 L530 L596 Y611	L283-P561 HydrophobicContact CD2-CB 3.81Å; L283-P561 WeakPolarHBondContact CD2-O 3.42Å; L530-P561 HydrophobicContact CD2-CG 4.47Å; L530-P561 HydrophobicContact CG-CG 4.11Å; L530-P561 WeakPolarHBondContact O-CB 3.43Å; P561-L596 HydrophobicContact CB-CD1 4.32Å; P561-Y611 WeakPolarHBondContact CD-OH 3.47Å; P561-Y611 HydrophobicContact CG-CE2 3.68Å
562	V	96.9	Very high	95.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	-144.1	125.5	-176.8	-179.3	0	0	0	0	109.9	T282 L283 F287 F497 I531 P532 L560 S564	T282-V562 HydrophobicContact CG2-CG2 4.09Å; L283-V562 HydrophobicContact CD2-CG2 4.49Å; F287-V562 HydrophobicContact CD2-CG1 3.43Å; F287-V562 VanDerWaalsContact CD2-CG1 3.43Å; F287-V562 HydrophobicContact CE2-CG1 3.94Å; F287-V562 HydrophobicContact CG-CG1 4.22Å; F497-V562 HydrophobicContact CD1-CG2 4.3Å; F497-V562 HydrophobicContact CE1-CG2 3.78Å; I531-V562 HydrophobicContact CG1-CB 4.19Å; I531-V562 HydrophobicContact CG1-CG1 4.37Å; I531-V562 HydrophobicContact CG1-CG2 4.07Å; I531-V562 HydrophobicContact CG2-CB 4.44Å; I531-V562 HydrophobicContact CG2-CG1 4.36Å; P532-V562 VanDerWaalsContact CD-O 3.26Å; P532-V562 WeakPolarHBondContact CD-O 3.5Å; P532-V562 VanDerWaalsContact CG-O 3.29Å; P532-V562 WeakPolarHBondContact CG-O 3.39Å; L560-V562 VanDerWaalsContact C-N 3.33Å; L560-V562 PolarHBondContact O-N 3.32Å; V562-S564 PolarHBondContact O-N 3.01Å
563	L	96.8	Very high	94.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	8%	0.079	C	C	.	.			trans	-72	112.6	169.9	-82.3	170.2	0	0	0	111	P286 F287 L554 A557 A558 F565 I585 H588	P286-L563 CarbonylContact C-O 3.58Å; P286-L563 VanDerWaalsContact CA-O 3.28Å; P286-L563 WeakPolarHBondContact CA-O 3.24Å; P286-L563 HydrophobicContact CB-CB 4.31Å; F287-L563 PolarHBondContact N-O 3.21Å; L554-L563 HydrophobicContact CD1-CD2 4.27Å; A557-L563 HydrophobicContact CB-CD2 3.81Å; A558-L563 HydrophobicContact CB-CD2 4.46Å; L563-F565 HydrophobicContact CB-CE2 4.04Å; L563-F565 HydrophobicContact CD2-CZ 4.41Å; L563-I585 HydrophobicContact CD1-CB 4.31Å; L563-I585 HydrophobicContact CD1-CG1 3.8Å; L563-H588 HydrophobicContact CD1-CB 3.72Å; L563-H588 HydrophobicContact CG-CB 4.44Å
564	S	96.1	Very high	93.3	Very high	8 Å²	8	15.7 Å²	15.7	6%	0.056	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.2	175	-164.1	0	0	0	0	112.1	F287 A534 V535 V562	F287-S564 CarbonylContact O-C 3.57Å; F287-S564 WeakPolarHBondContact O-CA 3.47Å; A534-S564 CarbonylContact C-O 3.5Å; A534-S564 WeakPolarHBondContact CA-O 3.42Å; A534-S564 WeakPolarHBondContact CB-O 3.5Å; V535-S564 PolarHBondContact N-O 2.8Å; V562-S564 PolarHBondContact O-N 3.01Å
565	F	95.6	Very high	92.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.4	-177.1	-66.7	-83.7	0	0	0	112.1	P286 F287 W288 K289 V535 F550 L554 L563 T581 I585	P286-F565 HydrophobicContact CB-CD2 4.38Å; P286-F565 HydrophobicContact CB-CE2 4.06Å; F287-F565 PolarHBondContact O-N 3.18Å; W288-F565 HydrophobicContact CD2-CB 4.16Å; W288-F565 HydrophobicContact CD2-CD2 4.07Å; W288-F565 HydrophobicContact CD2-CG 4.38Å; W288-F565 AromaticContact CE2-CD2 3.99Å; W288-F565 HydrophobicContact CE3-CB 3.46Å; W288-F565 VanDerWaalsContact CE3-CB 3.46Å; W288-F565 AromaticContact CE3-CD2 3.9Å; W288-F565 HydrophobicContact CE3-CD2 3.9Å; W288-F565 AromaticContact CE3-CG 3.78Å; W288-F565 HydrophobicContact CE3-CG 3.78Å; W288-F565 HydrophobicContact CH2-CB 4.42Å; W288-F565 HydrophobicContact CH2-CD1 4.23Å; W288-F565 AromaticContact CH2-CD2 3.59Å; W288-F565 HydrophobicContact CH2-CD2 3.59Å; W288-F565 HydrophobicContact CH2-CE1 4.42Å; W288-F565 AromaticContact CH2-CE2 3.81Å; W288-F565 HydrophobicContact CH2-CE2 3.81Å; W288-F565 AromaticContact CH2-CG 3.82Å; W288-F565 HydrophobicContact CH2-CG 3.82Å; W288-F565 HydrophobicContact CH2-CZ 4.23Å; W288-F565 AromaticContact CZ2-CD2 3.78Å; W288-F565 HydrophobicContact CZ2-CD2 3.78Å; W288-F565 AromaticContact CZ2-CE2 3.93Å; W288-F565 HydrophobicContact CZ2-CE2 3.93Å; W288-F565 HydrophobicContact CZ2-CG 4.43Å; W288-F565 HydrophobicContact CZ3-CB 3.6Å; W288-F565 AromaticContact CZ3-CD1 3.96Å; W288-F565 HydrophobicContact CZ3-CD1 3.96Å; W288-F565 AromaticContact CZ3-CD2 3.66Å; W288-F565 HydrophobicContact CZ3-CD2 3.66Å; W288-F565 HydrophobicContact CZ3-CE2 4.32Å; W288-F565 AromaticContact CZ3-CG 3.45Å; W288-F565 HydrophobicContact CZ3-CG 3.45Å; W288-F565 VanDerWaalsContact CZ3-CG 3.45Å; K289-F565 WeakPolarHBondContact CB-O 3.29Å; K289-F565 PolarHBondContact N-O 3.3Å; V535-F565 HydrophobicContact CB-CD1 3.94Å; V535-F565 HydrophobicContact CB-CE1 4.04Å; V535-F565 HydrophobicContact CG1-CE1 4.5Å; V535-F565 HydrophobicContact CG2-CD1 3.96Å; V535-F565 HydrophobicContact CG2-CE1 3.69Å; V535-F565 HydrophobicContact CG2-CZ 4.28Å; F550-F565 HydrophobicContact CZ-CD1 4.28Å; F550-F565 HydrophobicContact CZ-CE1 4.25Å; L554-F565 HydrophobicContact CD1-CE1 4.13Å; L554-F565 HydrophobicContact CD1-CZ 4.04Å; L563-F565 HydrophobicContact CB-CE2 4.04Å; L563-F565 HydrophobicContact CD2-CZ 4.41Å; F565-T581 HydrophobicContact CE1-CG2 3.72Å; F565-T581 HydrophobicContact CZ-CG2 3.68Å; F565-I585 HydrophobicContact CE2-CD1 4.24Å; F565-I585 HydrophobicContact CE2-CG1 4.41Å; F565-I585 HydrophobicContact CZ-CD1 4.32Å; F565-I585 HydrophobicContact CZ-CG1 4.39Å
566	H	92.4	Very high	92.5	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.042	15%	0.151	C	C	.	.	S	Bend	trans	-100.8	-48.3	171	-177.5	87.2	0	0	0	110.1	K289 L291 A534 G541 D542 P568	K289-H566 HydrophobicContact CD-CB 4.02Å; L291-H566 WeakPolarHBondContact CD1-CE1 3.3Å; A534-H566 HydrophobicContact CB-CB 3.78Å; G541-H566 PolarHBondContact O-NE2 2.85Å; D542-H566 PolarHBondContact O-CD2 2.79Å; D542-H566 VanDerWaalsContact O-CD2 3.28Å; D542-H566 PolarHBondContact O-NE2 3.25Å; H566-P568 WeakPolarHBondContact O-CD 3.47Å
567	T	91.9	Very high	92.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-91	117.7	171.7	-57	0	0	0	0	109.9	L543 V544 F550 V571 F572	L543-T567 HydrophobicContact CB-CG2 4.39Å; V544-T567 HydrophobicContact CB-CG2 4.24Å; V544-T567 WeakPolarHBondContact CB-OG1 3.09Å; V544-T567 WeakPolarHBondContact CG2-OG1 3.4Å; V544-T567 PolarHBondContact N-OG1 2.74Å; F550-T567 HydrophobicContact CE2-CG2 4.49Å; F550-T567 WeakPolarHBondContact CE2-O 3.16Å; T567-V571 HydrophobicContact CG2-CB 4.4Å; T567-F572 HydrophobicContact CG2-CE2 4.19Å; T567-F572 HydrophobicContact CG2-CZ 4.17Å
568	P	92.1	Very high	92.3	Very high	14 Å²	14	26.3 Å²	26.3	9%	0.091	15%	0.152	C	C	.	.			trans	-73.8	138.6	175.5	-18	32.7	0	0	0	111.5	F307 H566 W570 V571	F307-P568 HydrophobicContact CE2-CG 4.12Å; H566-P568 WeakPolarHBondContact O-CD 3.47Å; P568-W570 HydrophobicContact CB-CD2 3.76Å; P568-W570 HydrophobicContact CB-CE3 4.08Å; P568-W570 HydrophobicContact CB-CG 4.42Å; P568-W570 HydrophobicContact CB-CH2 3.72Å; P568-W570 HydrophobicContact CB-CZ2 3.36Å; P568-W570 HydrophobicContact CB-CZ3 4.05Å; P568-W570 HydrophobicContact CG-CH2 4.34Å; P568-W570 HydrophobicContact CG-CZ2 3.79Å; P568-W570 PolarHBondContact O-N 2.88Å; P568-W570 VanDerWaalsContact O-N 3.09Å; P568-V571 WeakPolarHBondContact O-CB 3.45Å; P568-V571 VanDerWaalsContact O-CG2 3.27Å; P568-V571 WeakPolarHBondContact O-CG2 3.45Å; P568-V571 PolarHBondContact O-N 3.36Å
569	P	93.7	Very high	92.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-64.8	-21.9	-171.3	27.8	-39	0	0	0	114.3	L316 F550 V571 F572 V577 L578 T581	L316-P569 HydrophobicContact CD1-CG 3.88Å; L316-P569 HydrophobicContact CD2-CG 4.15Å; F550-P569 HydrophobicContact CE1-CB 4.26Å; F550-P569 HydrophobicContact CZ-CB 4.15Å; P569-V571 PolarHBondContact O-N 3.46Å; P569-F572 WeakPolarHBondContact O-CD2 3.49Å; P569-F572 PolarHBondContact O-N 3.2Å; P569-V577 HydrophobicContact CB-CG1 4.31Å; P569-L578 HydrophobicContact CB-CD1 4.09Å; P569-L578 HydrophobicContact CG-CD1 3.69Å; P569-T581 HydrophobicContact CB-CG2 4.34Å; P569-T581 WeakPolarHBondContact CB-OG1 3.08Å; P569-T581 HydrophobicContact CG-CG2 3.99Å
570	W	92.3	Very high	92.1	Very high	38 Å²	38	29.9 Å²	29.9	14%	0.144	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-69.2	-8.9	175.1	62	67.3	0	0	0	113.8	F307 R310 L311 H314 L316 P568 F572 G573	F307-W570 HydrophobicContact CD2-CH2 4.23Å; F307-W570 HydrophobicContact CD2-CZ2 4.01Å; F307-W570 AromaticContact CE2-CH2 3.87Å; F307-W570 HydrophobicContact CE2-CH2 3.87Å; F307-W570 AromaticContact CE2-CZ2 3.74Å; F307-W570 HydrophobicContact CE2-CZ2 3.74Å; F307-W570 HydrophobicContact CZ-CH2 4.16Å; F307-W570 HydrophobicContact CZ-CZ2 4.45Å; R310-W570 HydrophobicContact CB-CD2 4.5Å; R310-W570 HydrophobicContact CB-CE3 4.41Å; R310-W570 HydrophobicContact CB-CH2 3.94Å; R310-W570 HydrophobicContact CB-CZ2 4.02Å; R310-W570 HydrophobicContact CB-CZ3 4.14Å; L311-W570 HydrophobicContact CD2-CH2 4.11Å; L311-W570 HydrophobicContact CD2-CZ3 3.89Å; L311-W570 HydrophobicContact CG-CH2 4.16Å; L311-W570 HydrophobicContact CG-CZ3 4.22Å; H314-W570 AromaticContact CD2-CE3 3.72Å; L316-W570 HydrophobicContact CD1-CE3 3.82Å; L316-W570 HydrophobicContact CD1-CZ3 3.71Å; P568-W570 HydrophobicContact CB-CD2 3.76Å; P568-W570 HydrophobicContact CB-CE3 4.08Å; P568-W570 HydrophobicContact CB-CG 4.42Å; P568-W570 HydrophobicContact CB-CH2 3.72Å; P568-W570 HydrophobicContact CB-CZ2 3.36Å; P568-W570 HydrophobicContact CB-CZ3 4.05Å; P568-W570 HydrophobicContact CG-CH2 4.34Å; P568-W570 HydrophobicContact CG-CZ2 3.79Å; P568-W570 PolarHBondContact O-N 2.88Å; P568-W570 VanDerWaalsContact O-N 3.09Å; W570-F572 VanDerWaalsContact C-N 3.3Å; W570-G573 PolarHBondContact O-N 3.18Å
571	V	91.1	Very high	92	Very high	67 Å²	67	29.8 Å²	29.8	41%	0.406	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-67	-31.6	175.9	173.3	0	0	0	0	111.6	L543 T567 P568 P569 G573	L543-V571 HydrophobicContact CD1-CG2 4.4Å; T567-V571 HydrophobicContact CG2-CB 4.4Å; P568-V571 WeakPolarHBondContact O-CB 3.45Å; P568-V571 VanDerWaalsContact O-CG2 3.27Å; P568-V571 WeakPolarHBondContact O-CG2 3.45Å; P568-V571 PolarHBondContact O-N 3.36Å; P569-V571 PolarHBondContact O-N 3.46Å; V571-G573 PolarHBondContact O-N 2.9Å
572	F	90.2	Very high	92	Very high	22 Å²	22	32.5 Å²	32.5	10%	0.096	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-73.5	-8.9	179.5	-58.7	-73.2	0	0	0	114.2	V544 K547 F550 T567 P569 W570 E574 V577	V544-F572 VanDerWaalsContact O-CE1 3.27Å; V544-F572 WeakPolarHBondContact O-CE1 3.15Å; V544-F572 WeakPolarHBondContact O-CZ 3.44Å; K547-F572 HydrophobicContact CG-CB 4.44Å; K547-F572 HydrophobicContact CG-CD1 3.53Å; K547-F572 HydrophobicContact CG-CE1 4.06Å; K547-F572 HydrophobicContact CG-CG 4.17Å; F550-F572 HydrophobicContact CB-CE2 4Å; F550-F572 HydrophobicContact CB-CZ 3.67Å; F550-F572 AromaticContact CD1-CE2 3.81Å; F550-F572 HydrophobicContact CD1-CE2 3.81Å; F550-F572 HydrophobicContact CD1-CZ 4.37Å; F550-F572 AromaticContact CD2-CE2 3.56Å; F550-F572 HydrophobicContact CD2-CE2 3.56Å; F550-F572 AromaticContact CD2-CZ 3.72Å; F550-F572 HydrophobicContact CD2-CZ 3.72Å; F550-F572 HydrophobicContact CE1-CE2 4.17Å; F550-F572 AromaticContact CE2-CE2 3.94Å; F550-F572 HydrophobicContact CE2-CE2 3.94Å; F550-F572 HydrophobicContact CE2-CZ 4.48Å; F550-F572 AromaticContact CG-CE2 3.49Å; F550-F572 HydrophobicContact CG-CE2 3.49Å; F550-F572 VanDerWaalsContact CG-CE2 3.49Å; F550-F572 AromaticContact CG-CZ 3.65Å; F550-F572 HydrophobicContact CG-CZ 3.65Å; F550-F572 HydrophobicContact CZ-CE2 4.23Å; T567-F572 HydrophobicContact CG2-CE2 4.19Å; T567-F572 HydrophobicContact CG2-CZ 4.17Å; P569-F572 WeakPolarHBondContact O-CD2 3.49Å; P569-F572 PolarHBondContact O-N 3.2Å; W570-F572 VanDerWaalsContact C-N 3.3Å; F572-E574 PolarHBondContact O-N 2.86Å; F572-E574 VanDerWaalsContact O-N 3.12Å; F572-V577 HydrophobicContact CB-CB 4.46Å; F572-V577 HydrophobicContact CB-CG2 4.25Å; F572-V577 HydrophobicContact CD2-CB 4.25Å; F572-V577 HydrophobicContact CD2-CG1 3.66Å; F572-V577 HydrophobicContact CD2-CG2 4.42Å; F572-V577 HydrophobicContact CE2-CG1 4.11Å; F572-V577 HydrophobicContact CG-CG1 4.41Å; F572-V577 HydrophobicContact CG-CG2 4.38Å
573	G	78.4	Confident	92	Very high	73 Å²	73	36.5 Å²	36.5	75%	0.753	20%	0.201	S	C	*	.			trans	71.5	-1.3	174.3	0	0	0	0	0	116.2	W570 V571	W570-G573 PolarHBondContact O-N 3.18Å; V571-G573 PolarHBondContact O-N 2.9Å
574	E	70.9	Confident	92	Very high	85 Å²	85	36.8 Å²	36.8	40%	0.397	20%	0.202	S	C	.	.			trans	-116.8	140.6	-172.7	-76.9	163.3	-166.4	0	0	112.3	K547 F572 Q576	K547-E574 WeakPolarHBondContact CE-OE2 3.21Å; K547-E574 IonicContact NZ-OE1 3.51Å; K547-E574 PolarHBondContact NZ-OE1 3.03Å; K547-E574 IonicContact NZ-OE2 3.78Å; K547-E574 PolarHBondContact NZ-OE2 3.21Å; F572-E574 PolarHBondContact O-N 2.86Å; F572-E574 VanDerWaalsContact O-N 3.12Å; E574-Q576 PolarHBondContact O-N 3.2Å
575	D	84.9	Confident	92.1	Very high	129 Å²	129	36.6 Å²	36.6	69%	0.69	20%	0.2	S	C	*	.	H	α-helix	trans	-66.3	-22.9	179.2	-73.5	-52	0	0	0	113	N579	D575-N579 WeakPolarHBondContact O-CB 3.43Å; D575-N579 PolarHBondContact O-N 3.14Å
576	Q	93.3	Very high	92.2	Very high	90 Å²	90	40.1 Å²	40.1	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-61.8	-179.7	-173	-173.3	14	0	0	111.9	E574 L578 N579 L580 E684	E574-Q576 PolarHBondContact O-N 3.2Å; Q576-L578 PolarHBondContact O-N 2.95Å; Q576-N579 PolarHBondContact O-N 2.88Å; Q576-L580 HydrophobicContact CG-CD1 4.14Å; Q576-L580 WeakPolarHBondContact O-CG 3.28Å; Q576-L580 PolarHBondContact O-N 2.99Å; Q576-E684 WeakPolarHBondContact CG-OE1 3.42Å; Q576-E684 PolarHBondContact NE2-OE1 2.97Å
577	V	95.1	Very high	92.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.1	-38	179.8	-176.5	0	0	0	0	111	F550 I551 P569 F572 T581	F550-V577 HydrophobicContact CD1-CG1 3.46Å; F550-V577 VanDerWaalsContact CD1-CG1 3.46Å; F550-V577 HydrophobicContact CE1-CG1 3.51Å; I551-V577 HydrophobicContact CD1-CG2 4.22Å; I551-V577 HydrophobicContact CG1-CG2 4.43Å; P569-V577 HydrophobicContact CB-CG1 4.31Å; F572-V577 HydrophobicContact CB-CB 4.46Å; F572-V577 HydrophobicContact CB-CG2 4.25Å; F572-V577 HydrophobicContact CD2-CB 4.25Å; F572-V577 HydrophobicContact CD2-CG1 3.66Å; F572-V577 HydrophobicContact CD2-CG2 4.42Å; F572-V577 HydrophobicContact CE2-CG1 4.11Å; F572-V577 HydrophobicContact CG-CG1 4.41Å; F572-V577 HydrophobicContact CG-CG2 4.38Å; V577-T581 WeakPolarHBondContact O-CB 3.26Å; V577-T581 PolarHBondContact O-N 3.4Å; V577-T581 PolarHBondContact O-OG1 3.35Å
578	L	95.3	Very high	92.6	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-38.2	176.9	-173.7	68.8	0	0	0	112.7	H314 L316 P569 Q576 T581 R582	H314-L578 HydrophobicContact CB-CD1 3.99Å; H314-L578 HydrophobicContact CB-CD2 4.03Å; H314-L578 VanDerWaalsContact ND1-CD2 3.26Å; H314-L578 WeakPolarHBondContact ND1-CD2 3.44Å; L316-L578 HydrophobicContact CD1-CD1 3.96Å; L316-L578 HydrophobicContact CD2-CD1 3.99Å; L316-L578 HydrophobicContact CG-CD1 4.19Å; P569-L578 HydrophobicContact CB-CD1 4.09Å; P569-L578 HydrophobicContact CG-CD1 3.69Å; Q576-L578 PolarHBondContact O-N 2.95Å; L578-T581 PolarHBondContact O-N 2.93Å; L578-R582 PolarHBondContact O-N 2.82Å
579	N	95.8	Very high	92.9	Very high	73 Å²	73	43.4 Å²	43.4	39%	0.39	24%	0.235	S	C	.	.	H	α-helix	trans	-71.7	-43.8	178.3	-162.5	60.6	0	0	0	111.8	D575 Q576 T581 R582 I583	D575-N579 WeakPolarHBondContact O-CB 3.43Å; D575-N579 PolarHBondContact O-N 3.14Å; Q576-N579 PolarHBondContact O-N 2.88Å; N579-T581 VanDerWaalsContact C-N 3.29Å; N579-T581 PolarHBondContact O-N 3.02Å; N579-R582 PolarHBondContact O-N 3.05Å; N579-R582 VanDerWaalsContact O-N 3.13Å; N579-R582 PolarHBondContact OD1-NH2 2.79Å; N579-I583 WeakPolarHBondContact O-CG1 3.15Å; N579-I583 PolarHBondContact O-N 2.73Å
580	L	96.2	Very high	93	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-57.6	-43	171.6	-65.9	171.7	0	0	0	110.8	I551 L554 Q576 R582 I583 Y584 E684	I551-L580 HydrophobicContact CD1-CD1 3.94Å; I551-L580 HydrophobicContact CG1-CD1 4.14Å; I551-L580 HydrophobicContact CG2-CD1 4.03Å; L554-L580 HydrophobicContact CD2-CB 4.37Å; Q576-L580 HydrophobicContact CG-CD1 4.14Å; Q576-L580 WeakPolarHBondContact O-CG 3.28Å; Q576-L580 PolarHBondContact O-N 2.99Å; L580-R582 VanDerWaalsContact C-N 3.31Å; L580-R582 PolarHBondContact O-N 3.29Å; L580-I583 PolarHBondContact O-N 3.25Å; L580-I583 VanDerWaalsContact O-N 3.14Å; L580-Y584 WeakPolarHBondContact O-CD2 3.29Å; L580-Y584 PolarHBondContact O-N 3.13Å; L580-E684 HydrophobicContact CD1-CG 4.16Å; L580-E684 HydrophobicContact CD2-CB 3.82Å; L580-E684 HydrophobicContact CD2-CG 4Å
581	T	96.9	Very high	93.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-39.3	176	-50.3	0	0	0	0	112.4	L316 L554 F565 P569 V577 L578 N579 I585	L316-T581 HydrophobicContact CD2-CG2 3.9Å; L554-T581 HydrophobicContact CD1-CG2 4.47Å; F565-T581 HydrophobicContact CE1-CG2 3.72Å; F565-T581 HydrophobicContact CZ-CG2 3.68Å; P569-T581 HydrophobicContact CB-CG2 4.34Å; P569-T581 WeakPolarHBondContact CB-OG1 3.08Å; P569-T581 HydrophobicContact CG-CG2 3.99Å; V577-T581 WeakPolarHBondContact O-CB 3.26Å; V577-T581 PolarHBondContact O-N 3.4Å; V577-T581 PolarHBondContact O-OG1 3.35Å; L578-T581 PolarHBondContact O-N 2.93Å; N579-T581 VanDerWaalsContact C-N 3.29Å; N579-T581 PolarHBondContact O-N 3.02Å; T581-I585 HydrophobicContact CG2-CD1 3.94Å; T581-I585 WeakPolarHBondContact O-CB 3.12Å; T581-I585 WeakPolarHBondContact O-CD1 3.2Å; T581-I585 WeakPolarHBondContact O-CG1 3.13Å; T581-I585 PolarHBondContact O-N 2.92Å
582	R	96.6	Very high	93.5	Very high	58 Å²	58	46.8 Å²	46.8	22%	0.219	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-45.4	173.1	-70.3	-174.8	-63.4	-107.5	-2.8	112.1	H314 Q315 L316 L578 N579 L580 Y584 I585 T586	H314-R582 PolarHBondContact O-NH1 3.48Å; Q315-R582 WeakPolarHBondContact O-CD 3.37Å; L316-R582 HydrophobicContact CD2-CG 4.01Å; L578-R582 PolarHBondContact O-N 2.82Å; N579-R582 PolarHBondContact O-N 3.05Å; N579-R582 VanDerWaalsContact O-N 3.13Å; N579-R582 PolarHBondContact OD1-NH2 2.79Å; L580-R582 VanDerWaalsContact C-N 3.31Å; L580-R582 PolarHBondContact O-N 3.29Å; R582-Y584 PolarHBondContact O-N 3.28Å; R582-I585 PolarHBondContact O-N 3.48Å; R582-T586 PolarHBondContact O-N 2.91Å; R582-T586 PolarHBondContact O-OG1 3.28Å
583	I	96.3	Very high	93.9	Very high	83 Å²	83	45.7 Å²	45.7	43%	0.426	25%	0.253	S	S	.	.	H	α-helix	trans	-58.3	-48.3	179	-69.8	164.4	0	0	0	110.4	N579 L580 T586 K587	N579-I583 WeakPolarHBondContact O-CG1 3.15Å; N579-I583 PolarHBondContact O-N 2.73Å; L580-I583 PolarHBondContact O-N 3.25Å; L580-I583 VanDerWaalsContact O-N 3.14Å; I583-T586 PolarHBondContact O-N 3.07Å; I583-K587 WeakPolarHBondContact O-CB 3.27Å; I583-K587 PolarHBondContact O-N 3.32Å
584	Y	97.5	Very high	94.8	Very high	7 Å²	7	45 Å²	45	3%	0.027	23%	0.234	C	C	.	.	H	α-helix	trans	-72.5	-31	-179.2	-80.7	-73.7	0	0	0	113.6	L554 E555 A558 L580 R582 K587 H588 E684 V686	L554-Y584 HydrophobicContact CD2-CD2 3.94Å; L554-Y584 HydrophobicContact CD2-CG 4.33Å; L554-Y584 HydrophobicContact CG-CD2 4.09Å; L554-Y584 HydrophobicContact CG-CG 4.07Å; E555-Y584 HydrophobicContact CG-CE1 4.29Å; E555-Y584 HydrophobicContact CG-CE2 4.13Å; A558-Y584 HydrophobicContact CB-CD1 3.59Å; A558-Y584 HydrophobicContact CB-CG 4.25Å; L580-Y584 WeakPolarHBondContact O-CD2 3.29Å; L580-Y584 PolarHBondContact O-N 3.13Å; R582-Y584 PolarHBondContact O-N 3.28Å; Y584-K587 HydrophobicContact CE1-CD 4.46Å; Y584-H588 VanDerWaalsContact O-CB 3.25Å; Y584-H588 WeakPolarHBondContact O-CB 3.4Å; Y584-H588 PolarHBondContact O-N 2.8Å; Y584-E684 PolarHBondContact OH-O 3.34Å; Y584-V686 HydrophobicContact CE1-CG1 4.05Å
585	I	97.8	Very high	96	Very high	5 Å²	5	42 Å²	42	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-47.3	167.6	-72.5	165.9	0	0	0	110.7	P286 W288 L316 L563 F565 T581 R582 Q589	P286-I585 HydrophobicContact CG-CD1 4.46Å; P286-I585 HydrophobicContact CG-CG2 4.44Å; W288-I585 HydrophobicContact CH2-CD1 4.39Å; W288-I585 HydrophobicContact CZ2-CD1 4.02Å; L316-I585 HydrophobicContact CD2-CD1 4.21Å; L563-I585 HydrophobicContact CD1-CB 4.31Å; L563-I585 HydrophobicContact CD1-CG1 3.8Å; F565-I585 HydrophobicContact CE2-CD1 4.24Å; F565-I585 HydrophobicContact CE2-CG1 4.41Å; F565-I585 HydrophobicContact CZ-CD1 4.32Å; F565-I585 HydrophobicContact CZ-CG1 4.39Å; T581-I585 HydrophobicContact CG2-CD1 3.94Å; T581-I585 WeakPolarHBondContact O-CB 3.12Å; T581-I585 WeakPolarHBondContact O-CD1 3.2Å; T581-I585 WeakPolarHBondContact O-CG1 3.13Å; T581-I585 PolarHBondContact O-N 2.92Å; R582-I585 PolarHBondContact O-N 3.48Å; I585-Q589 WeakPolarHBondContact O-CG 3.46Å; I585-Q589 PolarHBondContact O-N 2.97Å; I585-Q589 VanDerWaalsContact O-N 3.13Å
586	T	97.3	Very high	96.7	Very high	75 Å²	75	36 Å²	36	46%	0.46	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-45.6	177.3	-61.4	0	0	0	0	111.4	R582 I583 H588 Q589 T590	R582-T586 PolarHBondContact O-N 2.91Å; R582-T586 PolarHBondContact O-OG1 3.28Å; I583-T586 PolarHBondContact O-N 3.07Å; T586-H588 VanDerWaalsContact C-N 3.33Å; T586-H588 PolarHBondContact O-N 2.97Å; T586-Q589 CarbonylContact O-C 3.6Å; T586-Q589 PolarHBondContact O-N 2.83Å; T586-Q589 VanDerWaalsContact O-N 3.08Å; T586-T590 HydrophobicContact CG2-CG2 4.02Å; T586-T590 PolarHBondContact O-N 3.46Å; T586-T590 PolarHBondContact O-OG1 3.37Å; T586-T590 VanDerWaalsContact O-OG1 3.04Å
587	K	96.3	Very high	96.9	Very high	43 Å²	43	34.8 Å²	34.8	19%	0.187	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-43.2	179.1	-168.7	173.5	-172.6	172.3	0	112.1	F559 I583 Y584 T590 D591	F559-K587 HydrophobicContact CZ-CD 4.27Å; I583-K587 WeakPolarHBondContact O-CB 3.27Å; I583-K587 PolarHBondContact O-N 3.32Å; Y584-K587 HydrophobicContact CE1-CD 4.46Å; K587-T590 PolarHBondContact O-N 3.11Å; K587-D591 WeakPolarHBondContact CE-OD2 3.4Å; K587-D591 HydrophobicContact CG-CB 4.29Å; K587-D591 WeakPolarHBondContact CG-OD2 3.46Å; K587-D591 VanDerWaalsContact O-CB 3.27Å; K587-D591 WeakPolarHBondContact O-CB 3.25Å; K587-D591 PolarHBondContact O-N 2.64Å
588	H	97.9	Very high	97	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.204	C	C	.	.	I	π-helix	trans	-56.6	-51	172.7	176	66.5	0	0	0	110.8	L283 A558 L560 L563 Y584 T586 T590 V592 V593	L283-H588 PolarHBondContact O-NE2 2.94Å; A558-H588 HydrophobicContact CB-CB 4.42Å; A558-H588 WeakPolarHBondContact O-CB 3.44Å; A558-H588 PolarHBondContact O-ND1 2.66Å; L560-H588 PolarHBondContact O-CE1 2.88Å; L563-H588 HydrophobicContact CD1-CB 3.72Å; L563-H588 HydrophobicContact CG-CB 4.44Å; Y584-H588 VanDerWaalsContact O-CB 3.25Å; Y584-H588 WeakPolarHBondContact O-CB 3.4Å; Y584-H588 PolarHBondContact O-N 2.8Å; T586-H588 VanDerWaalsContact C-N 3.33Å; T586-H588 PolarHBondContact O-N 2.97Å; H588-T590 PolarHBondContact O-N 2.78Å; H588-V592 WeakPolarHBondContact O-CA 3.5Å; H588-V592 WeakPolarHBondContact O-CB 3.43Å; H588-V592 PolarHBondContact O-N 2.72Å; H588-V592 VanDerWaalsContact O-N 3.12Å; H588-V593 WeakPolarHBondContact O-CG2 3.3Å; H588-V593 PolarHBondContact O-N 3.11Å
589	Q	97.6	Very high	97.1	Very high	47 Å²	47	39.6 Å²	39.6	22%	0.22	20%	0.204	C	C	.	.	I	π-helix	trans	-66.1	-35.3	180	-69.5	170.7	-27.6	0	0	114.4	W284 I585 T586	W284-Q589 HydrophobicContact CE3-CB 4.22Å; W284-Q589 HydrophobicContact CE3-CG 4.4Å; W284-Q589 WeakPolarHBondContact CH2-O 3.38Å; W284-Q589 HydrophobicContact CZ3-CB 4.27Å; W284-Q589 WeakPolarHBondContact CZ3-O 3.16Å; W284-Q589 PolarHBondContact O-NE2 3.12Å; I585-Q589 WeakPolarHBondContact O-CG 3.46Å; I585-Q589 PolarHBondContact O-N 2.97Å; I585-Q589 VanDerWaalsContact O-N 3.13Å; T586-Q589 CarbonylContact O-C 3.6Å; T586-Q589 PolarHBondContact O-N 2.83Å; T586-Q589 VanDerWaalsContact O-N 3.08Å
590	T	96.5	Very high	97.2	Very high	83 Å²	83	36.1 Å²	36.1	51%	0.509	19%	0.186	S	C	.	.	I	π-helix	trans	-90.5	-35.4	-175.7	55	0	0	0	0	114	T586 K587 H588	T586-T590 HydrophobicContact CG2-CG2 4.02Å; T586-T590 PolarHBondContact O-N 3.46Å; T586-T590 PolarHBondContact O-OG1 3.37Å; T586-T590 VanDerWaalsContact O-OG1 3.04Å; K587-T590 PolarHBondContact O-N 3.11Å; H588-T590 PolarHBondContact O-N 2.78Å
591	D	95.1	Very high	97.2	Very high	90 Å²	90	42 Å²	42	48%	0.481	21%	0.213	S	C	.	.	I	π-helix	trans	-110	-35.1	-167.6	-53.3	7.5	0	0	0	111.6	K587	K587-D591 WeakPolarHBondContact CE-OD2 3.4Å; K587-D591 HydrophobicContact CG-CB 4.29Å; K587-D591 WeakPolarHBondContact CG-OD2 3.46Å; K587-D591 VanDerWaalsContact O-CB 3.27Å; K587-D591 WeakPolarHBondContact O-CB 3.25Å; K587-D591 PolarHBondContact O-N 2.64Å
592	V	97.7	Very high	97.1	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.018	23%	0.225	C	C	.	.	I	π-helix	trans	-98.1	-52.3	-171.2	-179.2	0	0	0	0	111.9	A558 F559 H588 L595 L596 I633	A558-V592 WeakPolarHBondContact O-CG2 3.23Å; F559-V592 HydrophobicContact CD1-CG2 3.73Å; F559-V592 HydrophobicContact CE1-CG2 3.94Å; F559-V592 HydrophobicContact CG-CG2 4.28Å; H588-V592 WeakPolarHBondContact O-CA 3.5Å; H588-V592 WeakPolarHBondContact O-CB 3.43Å; H588-V592 PolarHBondContact O-N 2.72Å; H588-V592 VanDerWaalsContact O-N 3.12Å; V592-L595 WeakPolarHBondContact O-CA 3.39Å; V592-L595 VanDerWaalsContact O-CB 3.25Å; V592-L595 WeakPolarHBondContact O-CB 3.39Å; V592-L595 PolarHBondContact O-N 3.25Å; V592-L596 HydrophobicContact CG1-CD1 3.95Å; V592-L596 HydrophobicContact CG1-CD2 4.43Å; V592-L596 HydrophobicContact CG1-CG 4.01Å; V592-L596 WeakPolarHBondContact O-CG 3.38Å; V592-L596 PolarHBondContact O-N 3.15Å; V592-I633 HydrophobicContact CG1-CD1 4.15Å
593	V	98.1	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.8	-42.7	-175.9	178.7	0	0	0	0	113.2	L283 W284 H588 L595 L596 E597	L283-V593 HydrophobicContact CB-CG1 3.67Å; L283-V593 HydrophobicContact CB-CG2 4.1Å; L283-V593 HydrophobicContact CD1-CG1 4.31Å; L283-V593 WeakPolarHBondContact O-CG2 3.31Å; W284-V593 HydrophobicContact CD2-CB 4.43Å; W284-V593 HydrophobicContact CD2-CG1 3.79Å; W284-V593 HydrophobicContact CE3-CG1 4.48Å; W284-V593 HydrophobicContact CG-CG1 4.01Å; W284-V593 HydrophobicContact CH2-CG1 4.47Å; W284-V593 HydrophobicContact CZ2-CB 4.39Å; W284-V593 HydrophobicContact CZ2-CG1 3.79Å; H588-V593 WeakPolarHBondContact O-CG2 3.3Å; H588-V593 PolarHBondContact O-N 3.11Å; V593-L595 PolarHBondContact O-N 3.42Å; V593-L596 PolarHBondContact O-N 3.23Å; V593-L596 VanDerWaalsContact O-N 3.08Å; V593-E597 HydrophobicContact CG1-CG 4.32Å; V593-E597 WeakPolarHBondContact O-CG 3.34Å; V593-E597 PolarHBondContact O-N 3.25Å
594	P	97.7	Very high	96.9	Very high	57 Å²	57	41.5 Å²	41.5	37%	0.37	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-28.3	175	-23.9	35.6	0	0	0	114	W284 K598	W284-P594 HydrophobicContact CH2-CG 4.23Å; P594-K598 WeakPolarHBondContact O-CB 3.45Å; P594-K598 PolarHBondContact O-N 2.87Å
595	L	97.1	Very high	96.6	Very high	23 Å²	23	47.9 Å²	47.9	12%	0.12	25%	0.245	C	C	.	.	H	α-helix	trans	-73.6	-38.8	174	-169.4	66.3	0	0	0	110.7	V592 V593 K598 Y599 I633 V637	V592-L595 WeakPolarHBondContact O-CA 3.39Å; V592-L595 VanDerWaalsContact O-CB 3.25Å; V592-L595 WeakPolarHBondContact O-CB 3.39Å; V592-L595 PolarHBondContact O-N 3.25Å; V593-L595 PolarHBondContact O-N 3.42Å; L595-K598 PolarHBondContact O-N 3.1Å; L595-Y599 HydrophobicContact CD1-CD2 3.96Å; L595-Y599 HydrophobicContact CD1-CE2 3.74Å; L595-Y599 HydrophobicContact CG-CD2 4.11Å; L595-Y599 HydrophobicContact CG-CE2 4.31Å; L595-Y599 WeakPolarHBondContact O-CD2 3.13Å; L595-Y599 PolarHBondContact O-N 3.37Å; L595-I633 HydrophobicContact CD2-CB 3.79Å; L595-I633 HydrophobicContact CD2-CD1 4.45Å; L595-I633 HydrophobicContact CD2-CG2 3.6Å; L595-I633 HydrophobicContact CG-CG2 3.9Å; L595-V637 HydrophobicContact CD2-CB 4Å; L595-V637 HydrophobicContact CD2-CG2 3.49Å; L595-V637 VanDerWaalsContact CD2-CG2 3.49Å
596	L	98.1	Very high	96.3	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-40.7	175.1	-58.2	-178.5	0	0	0	112.2	L283 P561 V592 V593 Y599 A600 I610 Y611 I633	L283-L596 HydrophobicContact CD1-CB 4.19Å; L283-L596 HydrophobicContact CD2-CD1 4.41Å; P561-L596 HydrophobicContact CB-CD1 4.32Å; V592-L596 HydrophobicContact CG1-CD1 3.95Å; V592-L596 HydrophobicContact CG1-CD2 4.43Å; V592-L596 HydrophobicContact CG1-CG 4.01Å; V592-L596 WeakPolarHBondContact O-CG 3.38Å; V592-L596 PolarHBondContact O-N 3.15Å; V593-L596 PolarHBondContact O-N 3.23Å; V593-L596 VanDerWaalsContact O-N 3.08Å; L596-Y599 PolarHBondContact O-N 2.7Å; L596-A600 WeakPolarHBondContact O-CB 3.4Å; L596-A600 PolarHBondContact O-N 3.27Å; L596-I610 HydrophobicContact CD2-CG2 3.62Å; L596-Y611 HydrophobicContact CD2-CE2 3.96Å; L596-Y611 VanDerWaalsContact CD2-OH 3.23Å; L596-Y611 WeakPolarHBondContact CD2-OH 3.29Å; L596-I633 HydrophobicContact CD2-CG2 3.76Å
597	E	97.9	Very high	96.1	Very high	64 Å²	64	47.2 Å²	47.2	30%	0.299	24%	0.242	S	C	.	.	H	α-helix	trans	-61.4	-44.3	174.5	-71	178.6	153.3	0	0	111	L283 W284 V593 Y599 A600 E601	L283-E597 HydrophobicContact CD1-CG 4.24Å; W284-E597 PolarHBondContact NE1-OE1 3.33Å; V593-E597 HydrophobicContact CG1-CG 4.32Å; V593-E597 WeakPolarHBondContact O-CG 3.34Å; V593-E597 PolarHBondContact O-N 3.25Å; E597-Y599 PolarHBondContact O-N 2.99Å; E597-A600 WeakPolarHBondContact O-CB 3.36Å; E597-A600 PolarHBondContact O-N 2.88Å; E597-E601 PolarHBondContact O-N 3.17Å
598	K	97.6	Very high	96	Very high	98 Å²	98	46.3 Å²	46.3	43%	0.426	24%	0.239	S	C	.	.	H	α-helix	trans	-58.4	-47.7	173.3	175.2	-174.7	175.3	-177.4	0	112.8	P594 L595 A600 E601 E602 E636	P594-K598 WeakPolarHBondContact O-CB 3.45Å; P594-K598 PolarHBondContact O-N 2.87Å; L595-K598 PolarHBondContact O-N 3.1Å; K598-A600 VanDerWaalsContact C-N 3.33Å; K598-E601 PolarHBondContact O-N 3.03Å; K598-E602 PolarHBondContact O-N 3.5Å; K598-E636 IonicContact NZ-OE1 2.64Å; K598-E636 PolarHBondContact NZ-OE1 3.17Å; K598-E636 IonicContact NZ-OE2 2.68Å; K598-E636 PolarHBondContact NZ-OE2 3.2Å
599	Y	97.8	Very high	95.9	Very high	10 Å²	10	46.3 Å²	46.3	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-78.8	-16.8	-178.7	-81.1	-72.8	0	0	0	113.3	L595 L596 E597 E602 W603 G634 D635 E636	L595-Y599 HydrophobicContact CD1-CD2 3.96Å; L595-Y599 HydrophobicContact CD1-CE2 3.74Å; L595-Y599 HydrophobicContact CG-CD2 4.11Å; L595-Y599 HydrophobicContact CG-CE2 4.31Å; L595-Y599 WeakPolarHBondContact O-CD2 3.13Å; L595-Y599 PolarHBondContact O-N 3.37Å; L596-Y599 PolarHBondContact O-N 2.7Å; E597-Y599 PolarHBondContact O-N 2.99Å; Y599-E602 HydrophobicContact CD1-CB 4.28Å; Y599-E602 WeakPolarHBondContact CD1-OE2 2.97Å; Y599-E602 WeakPolarHBondContact CE1-OE2 3.39Å; Y599-E602 PolarHBondContact O-N 3.45Å; Y599-W603 WeakPolarHBondContact O-CB 3.34Å; Y599-W603 PolarHBondContact O-N 3.12Å; Y599-G634 VanDerWaalsContact CE1-CA 3.46Å; Y599-D635 PolarHBondContact OH-N 2.96Å; Y599-D635 VanDerWaalsContact OH-N 3.11Å; Y599-E636 WeakPolarHBondContact CE2-OE1 3.41Å; Y599-E636 PolarHBondContact OH-OE1 3.04Å
600	A	97.4	Very high	95.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-39.8	167.3	0	0	0	0	0	111.9	L277 M280 F529 L596 E597 K598 W603 Q604 I610	L277-A600 HydrophobicContact CD2-CB 3.98Å; M280-A600 HydrophobicContact SD-CB 4.31Å; F529-A600 HydrophobicContact CE1-CB 3.83Å; F529-A600 HydrophobicContact CZ-CB 3.7Å; L596-A600 WeakPolarHBondContact O-CB 3.4Å; L596-A600 PolarHBondContact O-N 3.27Å; E597-A600 WeakPolarHBondContact O-CB 3.36Å; E597-A600 PolarHBondContact O-N 2.88Å; K598-A600 VanDerWaalsContact C-N 3.33Å; A600-W603 PolarHBondContact O-N 3.17Å; A600-Q604 WeakPolarHBondContact O-CB 3.04Å; A600-Q604 PolarHBondContact O-N 3.31Å; A600-I610 HydrophobicContact CB-CD1 4.13Å
601	E	96.4	Very high	95.9	Very high	130 Å²	130	40.3 Å²	40.3	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-62.1	-43.8	171.1	-65.5	-175.6	172.5	0	0	111.5	E597 K598 Q604 L605	E597-E601 PolarHBondContact O-N 3.17Å; K598-E601 PolarHBondContact O-N 3.03Å; E601-Q604 PolarHBondContact O-N 3.26Å; E601-L605 WeakPolarHBondContact O-CG 3.23Å; E601-L605 PolarHBondContact O-N 3.23Å
602	E	95.6	Very high	96.1	Very high	54 Å²	54	36.1 Å²	36.1	25%	0.252	18%	0.183	S	C	.	.	H	α-helix	trans	-62.5	-46.2	175.1	-167.8	-169.7	127.4	0	0	111.6	K598 Y599 Q604 L605 T606 N608 R612	K598-E602 PolarHBondContact O-N 3.5Å; Y599-E602 HydrophobicContact CD1-CB 4.28Å; Y599-E602 WeakPolarHBondContact CD1-OE2 2.97Å; Y599-E602 WeakPolarHBondContact CE1-OE2 3.39Å; Y599-E602 PolarHBondContact O-N 3.45Å; E602-Q604 VanDerWaalsContact C-N 3.35Å; E602-Q604 PolarHBondContact O-N 3.37Å; E602-L605 PolarHBondContact O-N 3.23Å; E602-T606 HydrophobicContact CG-CG2 4.26Å; E602-T606 WeakPolarHBondContact O-CB 3.43Å; E602-T606 PolarHBondContact O-N 3.14Å; E602-T606 PolarHBondContact O-OG1 3.3Å; E602-N608 WeakPolarHBondContact OE1-CB 3.18Å; E602-N608 PolarHBondContact OE1-ND2 2.9Å; E602-R612 IonicContact OE1-CZ 2.89Å; E602-R612 IonicContact OE1-NH1 3.19Å; E602-R612 PolarHBondContact OE1-NH1 3.2Å; E602-R612 IonicContact OE1-NH2 3.79Å; E602-R612 PolarHBondContact OE1-NH2 3.36Å; E602-R612 IonicContact OE2-NH1 4Å; E602-R612 IonicContact OE2-NH2 2.74Å
603	W	94.8	Very high	96.1	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-44	176.9	171.8	85.1	0	0	0	111.6	R275 L277 S492 G526 N528 F529 Y599 A600 L605 G607 N608 I610	R275-W603 HydrophobicContact CB-CE3 4.4Å; R275-W603 HydrophobicContact CB-CH2 3.72Å; R275-W603 HydrophobicContact CB-CZ2 4.37Å; R275-W603 HydrophobicContact CB-CZ3 3.71Å; R275-W603 VanDerWaalsContact CD-O 3.27Å; R275-W603 WeakPolarHBondContact CD-O 3.3Å; R275-W603 HydrophobicContact CG-CH2 3.56Å; R275-W603 HydrophobicContact CG-CZ2 3.73Å; R275-W603 HydrophobicContact CG-CZ3 3.99Å; R275-W603 PolarHBondContact NE-O 2.58Å; L277-W603 HydrophobicContact CD2-CE3 3.95Å; L277-W603 HydrophobicContact CD2-CZ3 3.98Å; S492-W603 WeakPolarHBondContact O-CH2 3.12Å; S492-W603 WeakPolarHBondContact O-CZ2 3.48Å; G526-W603 PolarHBondContact O-NE1 3.32Å; N528-W603 PolarHBondContact ND2-NE1 3.43Å; F529-W603 HydrophobicContact CE2-CD2 4.24Å; F529-W603 AromaticContact CE2-CE3 3.69Å; F529-W603 HydrophobicContact CE2-CE3 3.69Å; F529-W603 HydrophobicContact CE2-CH2 4.09Å; F529-W603 AromaticContact CE2-CZ3 3.62Å; F529-W603 HydrophobicContact CE2-CZ3 3.62Å; F529-W603 HydrophobicContact CZ-CE3 4.1Å; F529-W603 HydrophobicContact CZ-CZ3 4.4Å; Y599-W603 WeakPolarHBondContact O-CB 3.34Å; Y599-W603 PolarHBondContact O-N 3.12Å; A600-W603 PolarHBondContact O-N 3.17Å; W603-L605 VanDerWaalsContact C-N 3.33Å; W603-L605 PolarHBondContact O-N 3.35Å; W603-G607 VanDerWaalsContact O-CA 3.23Å; W603-G607 WeakPolarHBondContact O-CA 3.33Å; W603-G607 PolarHBondContact O-N 3.48Å; W603-N608 WeakPolarHBondContact CA-O 3.38Å; W603-N608 WeakPolarHBondContact CB-O 3.39Å; W603-I610 HydrophobicContact CB-CG1 4.2Å
604	Q	93.4	Very high	96.1	Very high	72 Å²	72	36.3 Å²	36.3	34%	0.336	18%	0.184	S	C	.	.	H	α-helix	trans	-59.9	-46.3	-179.9	-166.1	-179.5	21.2	0	0	110.8	R275 L277 A600 E601 E602	R275-Q604 HydrophobicContact CB-CG 4.03Å; R275-Q604 PolarHBondContact NE-O 2.86Å; R275-Q604 VanDerWaalsContact O-CG 3.29Å; R275-Q604 WeakPolarHBondContact O-CG 3.38Å; R275-Q604 PolarHBondContact O-NE2 3.16Å; L277-Q604 HydrophobicContact CD2-CB 4.33Å; L277-Q604 HydrophobicContact CG-CB 4.46Å; L277-Q604 HydrophobicContact CG-CG 4.47Å; A600-Q604 WeakPolarHBondContact O-CB 3.04Å; A600-Q604 PolarHBondContact O-N 3.31Å; E601-Q604 PolarHBondContact O-N 3.26Å; E602-Q604 VanDerWaalsContact C-N 3.35Å; E602-Q604 PolarHBondContact O-N 3.37Å
605	L	91.7	Very high	96	Very high	141 Å²	141	33.6 Å²	33.6	74%	0.738	17%	0.166	S	C	*	.	H	α-helix	trans	-70	-47.6	-179.7	-66.2	171.3	0	0	0	112.9	E601 E602 W603	E601-L605 WeakPolarHBondContact O-CG 3.23Å; E601-L605 PolarHBondContact O-N 3.23Å; E602-L605 PolarHBondContact O-N 3.23Å; W603-L605 VanDerWaalsContact C-N 3.33Å; W603-L605 PolarHBondContact O-N 3.35Å
606	T	91.2	Very high	96	Very high	60 Å²	60	32.6 Å²	32.6	37%	0.368	16%	0.161	S	C	.	.	H	α-helix	trans	-105.4	-24.3	-166	64.4	0	0	0	0	114.7	E602 N608	E602-T606 HydrophobicContact CG-CG2 4.26Å; E602-T606 WeakPolarHBondContact O-CB 3.43Å; E602-T606 PolarHBondContact O-N 3.14Å; E602-T606 PolarHBondContact O-OG1 3.3Å; T606-N608 VanDerWaalsContact OG1-CB 3.25Å; T606-N608 WeakPolarHBondContact OG1-CB 3.38Å; T606-N608 PolarHBondContact OG1-N 2.8Å; T606-N608 PolarHBondContact OG1-ND2 2.9Å
607	G	91.7	Very high	95.9	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	16%	0.164	C	C	.	.			trans	79.4	-1.7	-166.6	0	0	0	0	0	114.3	W603	W603-G607 VanDerWaalsContact O-CA 3.23Å; W603-G607 WeakPolarHBondContact O-CA 3.33Å; W603-G607 PolarHBondContact O-N 3.48Å
608	N	94.1	Very high	95.8	Very high	24 Å²	24	30.9 Å²	30.9	13%	0.128	16%	0.155	C	C	.	.			trans	-58.9	131.5	177.9	-68.1	-11.7	0	0	0	110.6	L264 E602 W603 T606 W616	L264-N608 WeakPolarHBondContact CD2-OD1 3.44Å; E602-N608 WeakPolarHBondContact OE1-CB 3.18Å; E602-N608 PolarHBondContact OE1-ND2 2.9Å; W603-N608 WeakPolarHBondContact CA-O 3.38Å; W603-N608 WeakPolarHBondContact CB-O 3.39Å; T606-N608 VanDerWaalsContact OG1-CB 3.25Å; T606-N608 WeakPolarHBondContact OG1-CB 3.38Å; T606-N608 PolarHBondContact OG1-N 2.8Å; T606-N608 PolarHBondContact OG1-ND2 2.9Å; N608-W616 HydrophobicContact CB-CH2 3.86Å; N608-W616 HydrophobicContact CB-CZ2 3.91Å
609	P	95.6	Very high	95.7	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.019	14%	0.143	C	C	.	.			trans	-53.6	148.4	174.6	-27.4	35.7	0	0	0	112.8	H263 A523 N528 Y611 R612 W616	H263-P609 WeakPolarHBondContact NE2-CD 3.34Å; A523-P609 HydrophobicContact CB-CB 4.18Å; A523-P609 WeakPolarHBondContact O-CG 3.43Å; N528-P609 WeakPolarHBondContact OD1-CA 3.12Å; P609-Y611 VanDerWaalsContact CB-O 3.3Å; P609-Y611 WeakPolarHBondContact CB-O 3.4Å; P609-R612 HydrophobicContact CB-CG 4.49Å; P609-R612 VanDerWaalsContact O-CZ 3.23Å; P609-R612 PolarHBondContact O-NE 3.34Å; P609-R612 PolarHBondContact O-NH2 3.22Å; P609-W616 HydrophobicContact CG-CZ3 4.28Å
610	I	97.6	Very high	95.4	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	-75.5	-45.1	169.6	-61.3	-177.5	0	0	0	109.2	N528 F529 L596 A600 W603 I633 G634	N528-I610 HydrophobicContact CB-CB 4.27Å; N528-I610 HydrophobicContact CB-CD1 3.98Å; N528-I610 HydrophobicContact CB-CG1 3.94Å; N528-I610 PolarHBondContact OD1-N 3.28Å; F529-I610 HydrophobicContact CE1-CD1 3.91Å; F529-I610 HydrophobicContact CZ-CD1 4.1Å; L596-I610 HydrophobicContact CD2-CG2 3.62Å; A600-I610 HydrophobicContact CB-CD1 4.13Å; W603-I610 HydrophobicContact CB-CG1 4.2Å; I610-I633 HydrophobicContact CG2-CG2 4.31Å; I610-G634 PolarHBondContact O-N 2.97Å
611	Y	98.2	Very high	95.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.8	176.1	-65.5	-89	0	0	0	110.1	L519 A523 F559 L560 P561 L596 P609 F631 L632 I633	L519-Y611 HydrophobicContact CD1-CD1 3.83Å; L519-Y611 HydrophobicContact CD1-CD2 3.85Å; L519-Y611 HydrophobicContact CD1-CE1 4.14Å; L519-Y611 HydrophobicContact CD1-CE2 4.21Å; L519-Y611 HydrophobicContact CD1-CG 3.64Å; L519-Y611 HydrophobicContact CD2-CD1 3.62Å; L519-Y611 HydrophobicContact CD2-CE1 4.13Å; L519-Y611 HydrophobicContact CD2-CG 4.12Å; L519-Y611 HydrophobicContact CG-CD1 3.96Å; L519-Y611 HydrophobicContact CG-CG 3.93Å; A523-Y611 WeakPolarHBondContact CB-O 3.37Å; F559-Y611 WeakPolarHBondContact O-CE1 3.27Å; F559-Y611 PolarHBondContact O-OH 2.86Å; L560-Y611 WeakPolarHBondContact CA-OH 3.46Å; P561-Y611 WeakPolarHBondContact CD-OH 3.47Å; P561-Y611 HydrophobicContact CG-CE2 3.68Å; L596-Y611 HydrophobicContact CD2-CE2 3.96Å; L596-Y611 VanDerWaalsContact CD2-OH 3.23Å; L596-Y611 WeakPolarHBondContact CD2-OH 3.29Å; P609-Y611 VanDerWaalsContact CB-O 3.3Å; P609-Y611 WeakPolarHBondContact CB-O 3.4Å; Y611-F631 AromaticContact CD1-CD2 3.82Å; Y611-F631 HydrophobicContact CD1-CD2 3.82Å; Y611-F631 AromaticContact CD1-CE2 3.91Å; Y611-F631 HydrophobicContact CD1-CE2 3.91Å; Y611-F631 HydrophobicContact CE1-CD2 4.3Å; Y611-F631 AromaticContact CE1-CE2 3.91Å; Y611-F631 HydrophobicContact CE1-CE2 3.91Å; Y611-L632 WeakPolarHBondContact CA-O 3.36Å; Y611-I633 HydrophobicContact CD1-CG1 4.19Å; Y611-I633 HydrophobicContact CE1-CD1 4.17Å; Y611-I633 HydrophobicContact CE1-CG1 3.86Å
612	R	97.8	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.8	-169.1	-72.5	151.7	-169.8	-153.9	4	110.5	E602 P609 W616 L632 G634 D635	E602-R612 IonicContact OE1-CZ 2.89Å; E602-R612 IonicContact OE1-NH1 3.19Å; E602-R612 PolarHBondContact OE1-NH1 3.2Å; E602-R612 IonicContact OE1-NH2 3.79Å; E602-R612 PolarHBondContact OE1-NH2 3.36Å; E602-R612 IonicContact OE2-NH1 4Å; E602-R612 IonicContact OE2-NH2 2.74Å; P609-R612 HydrophobicContact CB-CG 4.49Å; P609-R612 VanDerWaalsContact O-CZ 3.23Å; P609-R612 PolarHBondContact O-NE 3.34Å; P609-R612 PolarHBondContact O-NH2 3.22Å; R612-W616 HydrophobicContact CB-CB 3.81Å; R612-W616 HydrophobicContact CB-CD2 4.29Å; R612-W616 HydrophobicContact CB-CG 3.81Å; R612-W616 HydrophobicContact CG-CB 4.24Å; R612-W616 HydrophobicContact CG-CD2 3.72Å; R612-W616 HydrophobicContact CG-CE3 4.2Å; R612-W616 HydrophobicContact CG-CG 3.71Å; R612-L632 HydrophobicContact CB-CB 3.95Å; R612-L632 HydrophobicContact CB-CD1 4.19Å; R612-L632 PolarHBondContact N-O 3.33Å; R612-L632 WeakPolarHBondContact O-CB 3.38Å; R612-L632 PolarHBondContact O-N 3.16Å; R612-G634 VanDerWaalsContact CD-C 3.46Å; R612-G634 WeakPolarHBondContact CD-O 3.25Å; R612-D635 IonicContact CZ-OD1 3.65Å; R612-D635 IonicContact NE-OD1 2.69Å; R612-D635 VanDerWaalsContact NH1-CG 3.32Å; R612-D635 IonicContact NH1-OD1 3.83Å; R612-D635 PolarHBondContact NH1-OD1 3.49Å; R612-D635 IonicContact NH1-OD2 2.59Å
613	P	97.9	Very high	94.9	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.039	20%	0.196	C	C	.	.			trans	-70.8	159.3	169.5	31.7	-35.7	0	0	0	109.9	W178 L520 W615 W616	W178-P613 HydrophobicContact CH2-CB 4.47Å; W178-P613 HydrophobicContact CH2-CG 4.38Å; W178-P613 HydrophobicContact CZ2-CB 3.52Å; W178-P613 HydrophobicContact CZ2-CG 3.74Å; L520-P613 HydrophobicContact CD1-CB 4.36Å; L520-P613 HydrophobicContact CD2-CB 4.08Å; P613-W615 HydrophobicContact CB-CD2 4.36Å; P613-W615 HydrophobicContact CB-CG 4.29Å; P613-W615 HydrophobicContact CG-CD2 3.62Å; P613-W615 HydrophobicContact CG-CE3 4.16Å; P613-W615 HydrophobicContact CG-CG 4.05Å; P613-W615 HydrophobicContact CG-CH2 4.06Å; P613-W615 HydrophobicContact CG-CZ2 3.54Å; P613-W615 HydrophobicContact CG-CZ3 4.35Å; P613-W615 PolarHBondContact O-N 3.05Å; P613-W616 WeakPolarHBondContact O-CB 3.36Å; P613-W616 PolarHBondContact O-N 2.8Å
614	L	97.8	Very high	95	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57.8	-28.9	-177.2	-56.2	-170	0	0	0	113.1	W616 L617 S618 T624 A627 Q630 L632 L638 Y653 P655	L614-W616 PolarHBondContact O-N 3.4Å; L614-W616 VanDerWaalsContact O-N 3.13Å; L614-L617 PolarHBondContact O-N 2.98Å; L614-L617 VanDerWaalsContact O-N 3.12Å; L614-S618 PolarHBondContact O-N 3.32Å; L614-T624 HydrophobicContact CB-CG2 3.74Å; L614-A627 HydrophobicContact CD1-CB 3.68Å; L614-A627 HydrophobicContact CG-CB 3.99Å; L614-Q630 HydrophobicContact CD1-CB 4.27Å; L614-Q630 HydrophobicContact CD2-CB 4.42Å; L614-L632 HydrophobicContact CD2-CD1 4.5Å; L614-L632 HydrophobicContact CD2-CD2 4.34Å; L614-L632 HydrophobicContact CD2-CG 4.06Å; L614-L638 HydrophobicContact CD2-CD1 3.79Å; L614-L638 HydrophobicContact CD2-CG 4.42Å; L614-Y653 HydrophobicContact CD1-CD1 4.25Å; L614-P655 HydrophobicContact CB-CB 4.43Å; L614-P655 HydrophobicContact CD2-CG 4.26Å
615	W	97.1	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-66.3	-13.1	176.9	63	-115.7	0	0	0	113.5	Y168 W178 L211 V259 L524 P613 L617 S618 P619 T624 F625	Y168-W615 HydrophobicContact CD2-CZ2 4.44Å; Y168-W615 AromaticContact CE1-NE1 3.79Å; Y168-W615 AromaticContact CE2-NE1 3.67Å; Y168-W615 AromaticContact CZ-CD1 3.93Å; Y168-W615 AromaticContact CZ-NE1 3.41Å; W178-W615 HydrophobicContact CH2-CZ2 4.49Å; W178-W615 HydrophobicContact CZ2-CZ2 4.23Å; W178-W615 AromaticContact CZ2-NE1 3.56Å; L211-W615 HydrophobicContact CD2-CH2 3.52Å; L211-W615 HydrophobicContact CD2-CZ2 3.63Å; V259-W615 HydrophobicContact CB-CE3 4.39Å; V259-W615 HydrophobicContact CG1-CB 4.28Å; V259-W615 HydrophobicContact CG1-CD2 3.85Å; V259-W615 HydrophobicContact CG1-CE3 3.58Å; V259-W615 HydrophobicContact CG1-CG 4.19Å; V259-W615 HydrophobicContact CG1-CZ3 4.24Å; V259-W615 HydrophobicContact CG2-CD2 4.06Å; V259-W615 HydrophobicContact CG2-CE3 4Å; V259-W615 HydrophobicContact CG2-CH2 4.06Å; V259-W615 HydrophobicContact CG2-CZ2 4.06Å; V259-W615 HydrophobicContact CG2-CZ3 4.02Å; L524-W615 HydrophobicContact CD1-CH2 3.9Å; L524-W615 HydrophobicContact CD1-CZ2 4.05Å; P613-W615 HydrophobicContact CB-CD2 4.36Å; P613-W615 HydrophobicContact CB-CG 4.29Å; P613-W615 HydrophobicContact CG-CD2 3.62Å; P613-W615 HydrophobicContact CG-CE3 4.16Å; P613-W615 HydrophobicContact CG-CG 4.05Å; P613-W615 HydrophobicContact CG-CH2 4.06Å; P613-W615 HydrophobicContact CG-CZ2 3.54Å; P613-W615 HydrophobicContact CG-CZ3 4.35Å; P613-W615 PolarHBondContact O-N 3.05Å; W615-L617 PolarHBondContact O-N 3.07Å; W615-S618 CarbonylContact O-C 3.54Å; W615-S618 PolarHBondContact O-N 3.49Å; W615-P619 WeakPolarHBondContact O-CA 3.43Å; W615-P619 VanDerWaalsContact O-CB 3.31Å; W615-P619 WeakPolarHBondContact O-CB 3.5Å; W615-P619 WeakPolarHBondContact O-CD 3.33Å; W615-T624 VanDerWaalsContact CA-OG1 3.26Å; W615-T624 WeakPolarHBondContact CA-OG1 3.29Å; W615-T624 VanDerWaalsContact CB-OG1 3.28Å; W615-T624 WeakPolarHBondContact CB-OG1 3.46Å; W615-F625 HydrophobicContact CB-CD1 3.83Å; W615-F625 HydrophobicContact CB-CE1 4.06Å; W615-F625 HydrophobicContact CG-CD1 4.31Å
616	W	97	Very high	95.3	Very high	3 Å²	3	29 Å²	29	1%	0.011	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-63.6	-30.6	172	-173.8	-91.5	0	0	0	112.7	K260 H263 L264 N608 P609 R612 P613 L614 D635	K260-W616 HydrophobicContact CD-CD2 4.36Å; K260-W616 VanDerWaalsContact CD-O 3.31Å; K260-W616 WeakPolarHBondContact CD-O 3.41Å; K260-W616 WeakPolarHBondContact CE-O 3.4Å; K260-W616 HydrophobicContact CG-CE3 4.4Å; K260-W616 VanDerWaalsContact NZ-CD1 3.32Å; K260-W616 PolarHBondContact NZ-O 2.78Å; H263-W616 AromaticContact CD2-CZ3 3.62Å; H263-W616 AromaticContact NE2-CZ3 3.96Å; L264-W616 HydrophobicContact CD2-CH2 4.05Å; N608-W616 HydrophobicContact CB-CH2 3.86Å; N608-W616 HydrophobicContact CB-CZ2 3.91Å; P609-W616 HydrophobicContact CG-CZ3 4.28Å; R612-W616 HydrophobicContact CB-CB 3.81Å; R612-W616 HydrophobicContact CB-CD2 4.29Å; R612-W616 HydrophobicContact CB-CG 3.81Å; R612-W616 HydrophobicContact CG-CB 4.24Å; R612-W616 HydrophobicContact CG-CD2 3.72Å; R612-W616 HydrophobicContact CG-CE3 4.2Å; R612-W616 HydrophobicContact CG-CG 3.71Å; P613-W616 WeakPolarHBondContact O-CB 3.36Å; P613-W616 PolarHBondContact O-N 2.8Å; L614-W616 PolarHBondContact O-N 3.4Å; L614-W616 VanDerWaalsContact O-N 3.13Å; W616-D635 PolarHBondContact NE1-OD1 3.09Å
617	L	96	Very high	95.6	Very high	14 Å²	14	26.6 Å²	26.6	7%	0.073	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-24.9	175.1	-58.7	-178.7	0	0	0	111.9	L614 W615 L632 D635 P655 D656 F659 W661	L614-L617 PolarHBondContact O-N 2.98Å; L614-L617 VanDerWaalsContact O-N 3.12Å; W615-L617 PolarHBondContact O-N 3.07Å; L617-L632 HydrophobicContact CD1-CD1 3.57Å; L617-L632 HydrophobicContact CD1-CD2 4.01Å; L617-L632 HydrophobicContact CD1-CG 4.46Å; L617-L632 HydrophobicContact CG-CD1 3.66Å; L617-D635 HydrophobicContact CD2-CB 4.08Å; L617-P655 HydrophobicContact CB-CB 4.24Å; L617-P655 HydrophobicContact CB-CG 4.34Å; L617-P655 HydrophobicContact CD1-CG 4.15Å; L617-D656 HydrophobicContact CB-CB 4.25Å; L617-F659 HydrophobicContact CB-CE2 4.42Å; L617-F659 HydrophobicContact CD1-CD2 4.48Å; L617-F659 HydrophobicContact CD1-CE2 4.16Å; L617-F659 HydrophobicContact CD2-CE2 4.16Å; L617-F659 HydrophobicContact CG-CE2 4.47Å; L617-W661 HydrophobicContact CD1-CH2 3.95Å; L617-W661 HydrophobicContact CD1-CZ2 3.76Å
618	S	95.8	Very high	95.8	Very high	17 Å²	17	28.7 Å²	28.7	12%	0.119	17%	0.17	C	C	.	.			trans	-128.7	68.1	175.9	-59.5	0	0	0	0	113.1	L614 W615 S620 D621 T624 D656	L614-S618 PolarHBondContact O-N 3.32Å; W615-S618 CarbonylContact O-C 3.54Å; W615-S618 PolarHBondContact O-N 3.49Å; S618-S620 PolarHBondContact O-N 3.39Å; S618-D621 PolarHBondContact O-N 3.33Å; S618-T624 PolarHBondContact O-OG1 2.82Å; S618-D656 VanDerWaalsContact OG-CA 3.31Å; S618-D656 WeakPolarHBondContact OG-CA 3.35Å; S618-D656 PolarHBondContact OG-N 2.84Å
619	P	95.4	Very high	95.9	Very high	26 Å²	26	29.4 Å²	29.4	17%	0.169	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	6.6	-171.8	29.9	-37.6	0	0	0	115.2	N258 V259 K260 W615	N258-P619 HydrophobicContact CB-CB 4.11Å; V259-P619 HydrophobicContact CG1-CB 3.73Å; K260-P619 HydrophobicContact CB-CB 3.86Å; K260-P619 HydrophobicContact CB-CG 4.22Å; W615-P619 WeakPolarHBondContact O-CA 3.43Å; W615-P619 VanDerWaalsContact O-CB 3.31Å; W615-P619 WeakPolarHBondContact O-CB 3.5Å; W615-P619 WeakPolarHBondContact O-CD 3.33Å
620	S	91.9	Very high	96	Very high	100 Å²	100	29.8 Å²	29.8	70%	0.699	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.9	1.9	176.3	-56.7	0	0	0	0	113	S618	S618-S620 PolarHBondContact O-N 3.39Å
621	D	93.8	Very high	96	Very high	35 Å²	35	29.7 Å²	29.7	19%	0.187	18%	0.175	C	C	.	.			trans	-101	113	-178.8	175.5	11.6	0	0	0	111.4	S618 M623 T624 Y653	S618-D621 PolarHBondContact O-N 3.33Å; D621-M623 PolarHBondContact O-N 3.12Å; D621-M623 VanDerWaalsContact O-N 3.16Å; D621-M623 WeakPolarHBondContact OD1-CB 3.32Å; D621-M623 PolarHBondContact OD1-N 3.07Å; D621-T624 HydrophobicContact CB-CG2 4.26Å; D621-T624 PolarHBondContact O-N 3.31Å; D621-T624 PolarHBondContact O-OG1 3.4Å; D621-Y653 VanDerWaalsContact OD2-CE1 3.23Å; D621-Y653 WeakPolarHBondContact OD2-CE1 3.37Å; D621-Y653 VanDerWaalsContact OD2-CZ 3.26Å; D621-Y653 PolarHBondContact OD2-OH 3.11Å
622	P	93	Very high	96	Very high	91 Å²	91	29.6 Å²	29.6	59%	0.591	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-55.5	-29.4	178.1	-26.4	36	0	0	0	115.3	T624 F625	P622-T624 PolarHBondContact O-N 3.01Å; P622-F625 HydrophobicContact CB-CD2 4.37Å; P622-F625 PolarHBondContact O-N 3.32Å
623	M	91.4	Very high	96.1	Very high	111 Å²	111	29.6 Å²	29.6	55%	0.547	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-61.8	-30	178.8	-66.4	-60.2	-61.9	0	0	112	D621 Y653	D621-M623 PolarHBondContact O-N 3.12Å; D621-M623 VanDerWaalsContact O-N 3.16Å; D621-M623 WeakPolarHBondContact OD1-CB 3.32Å; D621-M623 PolarHBondContact OD1-N 3.07Å; M623-Y653 HydrophobicContact CB-CE1 4.26Å
624	T	96.3	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-83.7	-9.3	-179.1	66.7	0	0	0	0	114.6	L614 W615 S618 D621 P622 Y653 P655	L614-T624 HydrophobicContact CB-CG2 3.74Å; W615-T624 VanDerWaalsContact CA-OG1 3.26Å; W615-T624 WeakPolarHBondContact CA-OG1 3.29Å; W615-T624 VanDerWaalsContact CB-OG1 3.28Å; W615-T624 WeakPolarHBondContact CB-OG1 3.46Å; S618-T624 PolarHBondContact O-OG1 2.82Å; D621-T624 HydrophobicContact CB-CG2 4.26Å; D621-T624 PolarHBondContact O-N 3.31Å; D621-T624 PolarHBondContact O-OG1 3.4Å; P622-T624 PolarHBondContact O-N 3.01Å; T624-Y653 HydrophobicContact CG2-CD1 4.06Å; T624-Y653 HydrophobicContact CG2-CE1 3.65Å; T624-P655 HydrophobicContact CG2-CB 4.47Å
625	F	97	Very high	95.9	Very high	26 Å²	26	31 Å²	31	11%	0.114	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-24.7	-179.3	-61.5	-18.1	0	0	0	113	Y168 V259 W615 P622	Y168-F625 VanDerWaalsContact OH-CA 3.28Å; Y168-F625 WeakPolarHBondContact OH-CA 3.26Å; Y168-F625 WeakPolarHBondContact OH-CB 3.36Å; Y168-F625 PolarHBondContact OH-O 3.16Å; V259-F625 HydrophobicContact CG1-CE1 4.18Å; W615-F625 HydrophobicContact CB-CD1 3.83Å; W615-F625 HydrophobicContact CB-CE1 4.06Å; W615-F625 HydrophobicContact CG-CD1 4.31Å; P622-F625 HydrophobicContact CB-CD2 4.37Å; P622-F625 PolarHBondContact O-N 3.32Å
626	T	95.8	Very high	95.8	Very high	82 Å²	82	34.3 Å²	34.3	50%	0.503	20%	0.197	S	C	.	.	S	Bend	trans	-121	20.8	-176.2	64.7	0	0	0	0	113.4	P179 D628	P179-T626 HydrophobicContact CG-CG2 4.34Å; T626-D628 PolarHBondContact O-N 2.94Å
627	A	96.3	Very high	95.8	Very high	10 Å²	10	34.9 Å²	34.9	8%	0.083	20%	0.201	C	C	.	.			trans	-77.4	101.5	172.1	0	0	0	0	0	109.3	W178 L614	W178-A627 VanDerWaalsContact CD1-O 3.27Å; L614-A627 HydrophobicContact CD1-CB 3.68Å; L614-A627 HydrophobicContact CG-CB 3.99Å
628	D	95.6	Very high	95.9	Very high	49 Å²	49	34.2 Å²	34.2	26%	0.262	20%	0.198	S	C	.	.			trans	-100.3	-9.9	-178.4	73.7	-34.9	0	0	0	113.4	W178 R513 I516 P517 T626	W178-D628 HydrophobicContact CB-CB 4.15Å; R513-D628 IonicContact NH2-OD2 2.77Å; I516-D628 WeakPolarHBondContact CB-O 3.42Å; I516-D628 VanDerWaalsContact CG2-O 3.25Å; I516-D628 WeakPolarHBondContact CG2-O 3.26Å; P517-D628 WeakPolarHBondContact CD-O 3.4Å; P517-D628 HydrophobicContact CG-CB 4.28Å; T626-D628 PolarHBondContact O-N 2.94Å
629	D	96.8	Very high	96	Very high	38 Å²	38	33.4 Å²	33.4	20%	0.203	19%	0.192	C	C	.	.	S	Bend	trans	-118.6	8.8	-168.7	75.4	-13.3	0	0	0	114.2	V643 R650	D629-V643 HydrophobicContact CB-CG2 4.19Å; D629-R650 PolarHBondContact O-NH1 3.2Å; D629-R650 IonicContact OD1-CZ 3.37Å; D629-R650 IonicContact OD1-NH1 3.98Å; D629-R650 IonicContact OD1-NH2 3.18Å; D629-R650 PolarHBondContact OD1-NH2 2.7Å; D629-R650 IonicContact OD2-CZ 2.71Å; D629-R650 IonicContact OD2-NH1 2.69Å; D629-R650 PolarHBondContact OD2-NH1 3.4Å; D629-R650 VanDerWaalsContact OD2-NH1 3.16Å; D629-R650 IonicContact OD2-NH2 2.66Å; D629-R650 PolarHBondContact OD2-NH2 3.11Å
630	Q	97.6	Very high	96.2	Very high	12 Å²	12	32.2 Å²	32.2	6%	0.056	18%	0.184	C	C	.	.			trans	-142.4	144.2	-178.3	-74.1	157.2	99.8	0	0	109.1	L614 V639 A640 R650	L614-Q630 HydrophobicContact CD1-CB 4.27Å; L614-Q630 HydrophobicContact CD2-CB 4.42Å; Q630-V639 WeakPolarHBondContact CA-O 3.39Å; Q630-A640 HydrophobicContact CG-CB 3.87Å; Q630-R650 VanDerWaalsContact CD-NH2 3.31Å
631	F	98.4	Very high	96.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	161.8	176.1	63.8	-87.3	0	0	0	111.9	I516 L519 L520 F559 L560 Y611 I633 V639	I516-F631 HydrophobicContact CD1-CD1 3.93Å; I516-F631 HydrophobicContact CD1-CE1 4.13Å; I516-F631 HydrophobicContact CG1-CD1 3.84Å; I516-F631 HydrophobicContact CG1-CE1 4.04Å; I516-F631 HydrophobicContact CG2-CB 4.25Å; I516-F631 HydrophobicContact CG2-CD1 3.98Å; L519-F631 HydrophobicContact CD2-CD1 4.09Å; L519-F631 HydrophobicContact CD2-CD2 3.89Å; L519-F631 HydrophobicContact CD2-CE1 4.21Å; L519-F631 HydrophobicContact CD2-CE2 4.01Å; L519-F631 HydrophobicContact CD2-CG 3.92Å; L519-F631 HydrophobicContact CD2-CZ 4.16Å; L520-F631 HydrophobicContact CD2-CB 4.04Å; F559-F631 HydrophobicContact CB-CE2 4.23Å; F559-F631 HydrophobicContact CB-CZ 3.84Å; L560-F631 HydrophobicContact CD2-CZ 4.24Å; Y611-F631 AromaticContact CD1-CD2 3.82Å; Y611-F631 HydrophobicContact CD1-CD2 3.82Å; Y611-F631 AromaticContact CD1-CE2 3.91Å; Y611-F631 HydrophobicContact CD1-CE2 3.91Å; Y611-F631 HydrophobicContact CE1-CD2 4.3Å; Y611-F631 AromaticContact CE1-CE2 3.91Å; Y611-F631 HydrophobicContact CE1-CE2 3.91Å; F631-I633 HydrophobicContact CD2-CG1 4.3Å; F631-I633 HydrophobicContact CE2-CD1 4.37Å; F631-I633 HydrophobicContact CE2-CG1 3.96Å; F631-V639 HydrophobicContact CD1-CB 4.4Å; F631-V639 HydrophobicContact CD2-CB 4.38Å; F631-V639 HydrophobicContact CD2-CG2 4.48Å; F631-V639 HydrophobicContact CE1-CB 3.97Å; F631-V639 HydrophobicContact CE1-CG1 4.02Å; F631-V639 HydrophobicContact CE2-CB 3.95Å; F631-V639 HydrophobicContact CE2-CG1 4.5Å; F631-V639 HydrophobicContact CE2-CG2 3.9Å; F631-V639 HydrophobicContact CZ-CB 3.74Å; F631-V639 HydrophobicContact CZ-CG1 3.84Å; F631-V639 HydrophobicContact CZ-CG2 4.06Å; F631-V639 PolarHBondContact N-O 2.86Å; F631-V639 VanDerWaalsContact N-O 3.16Å; F631-V639 PolarHBondContact O-N 2.86Å
632	L	98.4	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.8	172.2	-58.7	162.7	0	0	0	110	Y611 R612 L614 L617 G634 V637 L638 P655 W661	Y611-L632 WeakPolarHBondContact CA-O 3.36Å; R612-L632 HydrophobicContact CB-CB 3.95Å; R612-L632 HydrophobicContact CB-CD1 4.19Å; R612-L632 PolarHBondContact N-O 3.33Å; R612-L632 WeakPolarHBondContact O-CB 3.38Å; R612-L632 PolarHBondContact O-N 3.16Å; L614-L632 HydrophobicContact CD2-CD1 4.5Å; L614-L632 HydrophobicContact CD2-CD2 4.34Å; L614-L632 HydrophobicContact CD2-CG 4.06Å; L617-L632 HydrophobicContact CD1-CD1 3.57Å; L617-L632 HydrophobicContact CD1-CD2 4.01Å; L617-L632 HydrophobicContact CD1-CG 4.46Å; L617-L632 HydrophobicContact CG-CD1 3.66Å; L632-G634 WeakPolarHBondContact CB-O 3.33Å; L632-V637 CarbonylContact C-O 3.43Å; L632-V637 WeakPolarHBondContact CA-O 3.44Å; L632-L638 HydrophobicContact CD2-CB 3.78Å; L632-L638 HydrophobicContact CD2-CD1 4.07Å; L632-L638 HydrophobicContact CD2-CG 4.14Å; L632-P655 HydrophobicContact CD2-CG 4.5Å; L632-W661 HydrophobicContact CD2-CH2 3.78Å; L632-W661 HydrophobicContact CD2-CZ2 4.45Å
633	I	98.3	Very high	96.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.6	158.5	-48.4	180	0	0	0	106.3	F559 V592 L595 L596 I610 Y611 F631 V637 V639	F559-I633 HydrophobicContact CB-CD1 4.24Å; F559-I633 HydrophobicContact CD1-CD1 4.16Å; V592-I633 HydrophobicContact CG1-CD1 4.15Å; L595-I633 HydrophobicContact CD2-CB 3.79Å; L595-I633 HydrophobicContact CD2-CD1 4.45Å; L595-I633 HydrophobicContact CD2-CG2 3.6Å; L595-I633 HydrophobicContact CG-CG2 3.9Å; L596-I633 HydrophobicContact CD2-CG2 3.76Å; I610-I633 HydrophobicContact CG2-CG2 4.31Å; Y611-I633 HydrophobicContact CD1-CG1 4.19Å; Y611-I633 HydrophobicContact CE1-CD1 4.17Å; Y611-I633 HydrophobicContact CE1-CG1 3.86Å; F631-I633 HydrophobicContact CD2-CG1 4.3Å; F631-I633 HydrophobicContact CE2-CD1 4.37Å; F631-I633 HydrophobicContact CE2-CG1 3.96Å; I633-V637 HydrophobicContact CB-CB 4.47Å; I633-V637 PolarHBondContact N-O 3.27Å; I633-V637 PolarHBondContact O-N 3.32Å; I633-V639 HydrophobicContact CD1-CG2 4.46Å
634	G	96.6	Very high	97.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-148.1	-172.6	0	0	0	0	0	113.7	Y599 I610 R612 L632	Y599-G634 VanDerWaalsContact CE1-CA 3.46Å; I610-G634 PolarHBondContact O-N 2.97Å; R612-G634 VanDerWaalsContact CD-C 3.46Å; R612-G634 WeakPolarHBondContact CD-O 3.25Å; L632-G634 WeakPolarHBondContact CB-O 3.33Å
635	D	94.7	Very high	97.1	Very high	37 Å²	37	28.1 Å²	28.1	20%	0.198	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	16	176	-72.7	7.4	0	0	0	111.7	Y599 R612 W616 L617 R691	Y599-D635 PolarHBondContact OH-N 2.96Å; Y599-D635 VanDerWaalsContact OH-N 3.11Å; R612-D635 IonicContact CZ-OD1 3.65Å; R612-D635 IonicContact NE-OD1 2.69Å; R612-D635 VanDerWaalsContact NH1-CG 3.32Å; R612-D635 IonicContact NH1-OD1 3.83Å; R612-D635 PolarHBondContact NH1-OD1 3.49Å; R612-D635 IonicContact NH1-OD2 2.59Å; W616-D635 PolarHBondContact NE1-OD1 3.09Å; L617-D635 HydrophobicContact CD2-CB 4.08Å; D635-R691 WeakPolarHBondContact O-CD 3.32Å; D635-R691 PolarHBondContact O-NH1 3.05Å
636	E	95	Very high	97.1	Very high	69 Å²	69	29.6 Å²	29.6	32%	0.322	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-30.8	-166.1	-74.8	175.8	-43.3	0	0	115.3	K598 Y599 R691	K598-E636 IonicContact NZ-OE1 2.64Å; K598-E636 PolarHBondContact NZ-OE1 3.17Å; K598-E636 IonicContact NZ-OE2 2.68Å; K598-E636 PolarHBondContact NZ-OE2 3.2Å; Y599-E636 WeakPolarHBondContact CE2-OE1 3.41Å; Y599-E636 PolarHBondContact OH-OE1 3.04Å; E636-R691 WeakPolarHBondContact O-CB 3.48Å; E636-R691 PolarHBondContact O-N 2.83Å
637	V	97.8	Very high	97.2	Very high	15 Å²	15	26.8 Å²	26.8	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.4	-173.8	-178	0	0	0	0	110.9	L595 L632 I633 V639 V688 F689 L690	L595-V637 HydrophobicContact CD2-CB 4Å; L595-V637 HydrophobicContact CD2-CG2 3.49Å; L595-V637 VanDerWaalsContact CD2-CG2 3.49Å; L632-V637 CarbonylContact C-O 3.43Å; L632-V637 WeakPolarHBondContact CA-O 3.44Å; I633-V637 HydrophobicContact CB-CB 4.47Å; I633-V637 PolarHBondContact N-O 3.27Å; I633-V637 PolarHBondContact O-N 3.32Å; V637-V639 HydrophobicContact CG1-CG2 4.22Å; V637-V688 HydrophobicContact CG1-CG1 3.62Å; V637-F689 WeakPolarHBondContact CA-O 3.28Å; V637-L690 HydrophobicContact CB-CD2 4.5Å; V637-L690 HydrophobicContact CG1-CD2 4.21Å; V637-L690 HydrophobicContact CG2-CD2 3.74Å
638	L	98.4	Very high	97.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.8	171.1	-175.2	150.4	0	0	0	110	L614 L632 A640 I652 L654 P655 W661 V688 F689	L614-L638 HydrophobicContact CD2-CD1 3.79Å; L614-L638 HydrophobicContact CD2-CG 4.42Å; L632-L638 HydrophobicContact CD2-CB 3.78Å; L632-L638 HydrophobicContact CD2-CD1 4.07Å; L632-L638 HydrophobicContact CD2-CG 4.14Å; L638-A640 HydrophobicContact CD2-CB 4.04Å; L638-I652 HydrophobicContact CD2-CG2 4.24Å; L638-L654 HydrophobicContact CD1-CD2 4.35Å; L638-P655 HydrophobicContact CD1-CG 4.16Å; L638-W661 HydrophobicContact CB-CE3 4.21Å; L638-W661 HydrophobicContact CB-CH2 4.21Å; L638-W661 HydrophobicContact CB-CZ3 3.78Å; L638-V688 CarbonylContact O-C 3.56Å; L638-V688 VanDerWaalsContact O-CA 3.3Å; L638-V688 WeakPolarHBondContact O-CA 3.25Å; L638-F689 HydrophobicContact CB-CB 4.4Å; L638-F689 HydrophobicContact CD2-CD2 3.9Å; L638-F689 PolarHBondContact N-O 3.06Å; L638-F689 PolarHBondContact O-N 3.38Å
639	V	98.6	Very high	97.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.4	179.6	-171.4	0	0	0	0	109.2	F559 Q630 F631 I633 V637 V686 V688	F559-V639 HydrophobicContact CB-CG1 4.33Å; F559-V639 HydrophobicContact CB-CG2 4.31Å; F559-V639 HydrophobicContact CD1-CG1 4.29Å; F559-V639 HydrophobicContact CD1-CG2 3.64Å; F559-V639 HydrophobicContact CD2-CG1 4.3Å; F559-V639 HydrophobicContact CE1-CG2 4.27Å; F559-V639 HydrophobicContact CG-CG1 4.03Å; F559-V639 HydrophobicContact CG-CG2 4.07Å; Q630-V639 WeakPolarHBondContact CA-O 3.39Å; F631-V639 HydrophobicContact CD1-CB 4.4Å; F631-V639 HydrophobicContact CD2-CB 4.38Å; F631-V639 HydrophobicContact CD2-CG2 4.48Å; F631-V639 HydrophobicContact CE1-CB 3.97Å; F631-V639 HydrophobicContact CE1-CG1 4.02Å; F631-V639 HydrophobicContact CE2-CB 3.95Å; F631-V639 HydrophobicContact CE2-CG1 4.5Å; F631-V639 HydrophobicContact CE2-CG2 3.9Å; F631-V639 HydrophobicContact CZ-CB 3.74Å; F631-V639 HydrophobicContact CZ-CG1 3.84Å; F631-V639 HydrophobicContact CZ-CG2 4.06Å; F631-V639 PolarHBondContact N-O 2.86Å; F631-V639 VanDerWaalsContact N-O 3.16Å; F631-V639 PolarHBondContact O-N 2.86Å; I633-V639 HydrophobicContact CD1-CG2 4.46Å; V637-V639 HydrophobicContact CG1-CG2 4.22Å; V639-V686 HydrophobicContact CG1-CG2 4.03Å; V639-V688 HydrophobicContact CG1-CG2 4.27Å; V639-V688 HydrophobicContact CG2-CG2 4.48Å
640	A	98.3	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	77.8	-175.6	0	0	0	0	0	110.8	Q630 L638 R650 I652 A687	Q630-A640 HydrophobicContact CG-CB 3.87Å; L638-A640 HydrophobicContact CD2-CB 4.04Å; A640-R650 WeakPolarHBondContact O-CD 3.46Å; A640-I652 HydrophobicContact CB-CD1 3.81Å; A640-I652 HydrophobicContact CB-CG1 4Å; A640-I652 HydrophobicContact CB-CG2 3.89Å; A640-A687 HydrophobicContact CB-CB 4.21Å; A640-A687 PolarHBondContact N-O 3.16Å
641	P	97.8	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.			trans	-79	165.2	-175.8	33.2	-34.1	0	0	0	112.9	I516 I556 V643 R650 V686	I516-P641 HydrophobicContact CD1-CG 3.65Å; I556-P641 HydrophobicContact CD1-CB 4.28Å; I556-P641 HydrophobicContact CD1-CG 4.21Å; I556-P641 HydrophobicContact CG1-CB 3.57Å; I556-P641 HydrophobicContact CG1-CG 3.73Å; P641-V643 HydrophobicContact CG-CG1 4.43Å; P641-R650 WeakPolarHBondContact O-CD 3.26Å; P641-R650 PolarHBondContact O-NH1 3.48Å; P641-V686 HydrophobicContact CB-CG2 3.99Å
642	I	98.1	Very high	97.3	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.015	20%	0.198	C	C	.	.			trans	-85.3	117.7	171.8	-69.7	-72	0	0	0	109.7	R552 E644 A647 R650 V681	R552-I642 HydrophobicContact CG-CG2 4.35Å; I642-E644 WeakPolarHBondContact CG2-O 3.28Å; I642-A647 HydrophobicContact CD1-CB 4.02Å; I642-A647 HydrophobicContact CG2-CB 3.82Å; I642-R650 HydrophobicContact CD1-CB 3.72Å; I642-R650 HydrophobicContact CD1-CG 3.72Å; I642-V681 HydrophobicContact CD1-CB 4.12Å; I642-V681 HydrophobicContact CG1-CB 3.79Å; I642-V681 HydrophobicContact CG1-CG1 3.72Å
643	V	96.5	Very high	97.3	Very high	13 Å²	13	37.9 Å²	37.9	8%	0.079	20%	0.203	C	C	.	.			trans	-109.9	8.6	179.3	-58.3	0	0	0	0	113.6	R513 I556 D629 P641	R513-V643 HydrophobicContact CG-CB 4.12Å; R513-V643 HydrophobicContact CG-CG2 4.33Å; I556-V643 HydrophobicContact CD1-CG1 4.12Å; D629-V643 HydrophobicContact CB-CG2 4.19Å; P641-V643 HydrophobicContact CG-CG1 4.43Å
644	E	96.4	Very high	97.2	Very high	116 Å²	116	37.8 Å²	37.8	54%	0.542	20%	0.203	S	C	.	.	S	Bend	trans	-123.5	142.5	-180	-60.6	-153.7	144.1	0	0	112.6	W507 R513 I642 A647	W507-E644 WeakPolarHBondContact CZ3-O 3.25Å; R513-E644 IonicContact NH1-OE1 3.95Å; R513-E644 PolarHBondContact NH1-OE1 3.39Å; I642-E644 WeakPolarHBondContact CG2-O 3.28Å; E644-A647 HydrophobicContact CB-CB 4.35Å; E644-A647 WeakPolarHBondContact O-CB 3.31Å; E644-A647 PolarHBondContact O-N 2.92Å
645	K	96.9	Very high	97.1	Very high	120 Å²	120	37.8 Å²	37.8	52%	0.522	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	132.6	-175.3	-171.3	167.1	-173.9	151.8	0	112.3	W507 D546 E548 A647	W507-K645 HydrophobicContact CD2-CB 3.78Å; W507-K645 HydrophobicContact CD2-CG 4.48Å; W507-K645 HydrophobicContact CE3-CB 4.14Å; W507-K645 HydrophobicContact CG-CB 4.17Å; W507-K645 HydrophobicContact CH2-CB 4.31Å; W507-K645 HydrophobicContact CZ2-CB 3.97Å; W507-K645 HydrophobicContact CZ2-CD 4.33Å; W507-K645 HydrophobicContact CZ2-CG 3.9Å; W507-K645 HydrophobicContact CZ3-CB 4.4Å; D546-K645 IonicContact OD1-NZ 2.64Å; D546-K645 IonicContact OD2-NZ 3.79Å; D546-K645 PolarHBondContact OD2-NZ 3.4Å; E548-K645 WeakPolarHBondContact OE2-CE 3.41Å; K645-A647 VanDerWaalsContact C-N 3.28Å
646	G	97.4	Very high	96.8	Very high	56 Å²	56	38.1 Å²	38.1	58%	0.577	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-1.1	-178.9	0	0	0	0	0	113.9	E548	E548-G646 WeakPolarHBondContact OE1-CA 3.41Å; E548-G646 PolarHBondContact OE1-N 3.39Å
647	A	97.4	Very high	96.1	Very high	24 Å²	24	37.9 Å²	37.9	20%	0.198	22%	0.221	C	C	.	.			trans	-81.2	132	-176.1	0	0	0	0	0	112.2	R552 I642 E644 K645	R552-A647 PolarHBondContact NH2-O 3.26Å; I642-A647 HydrophobicContact CD1-CB 4.02Å; I642-A647 HydrophobicContact CG2-CB 3.82Å; E644-A647 HydrophobicContact CB-CB 4.35Å; E644-A647 WeakPolarHBondContact O-CB 3.31Å; E644-A647 PolarHBondContact O-N 2.92Å; K645-A647 VanDerWaalsContact C-N 3.28Å
648	V	97.1	Very high	95.5	Very high	85 Å²	85	40.3 Å²	40.3	52%	0.515	25%	0.249	S	C	.	.	S	Bend	trans	-123.6	9.9	176.5	-62.5	0	0	0	0	112.3	V681	V648-V681 CarbonylContact C-O 3.5Å; V648-V681 VanDerWaalsContact CA-O 3.31Å; V648-V681 WeakPolarHBondContact CA-O 3.47Å; V648-V681 CarbonylContact O-C 3.48Å; V648-V681 PolarHBondContact O-N 3.14Å
649	Q	97.4	Very high	95.2	Very high	120 Å²	120	42.2 Å²	42.2	56%	0.561	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.3	155.2	174.9	58.2	177.1	79.9	0	0	108.4	F679	Q649-F679 CarbonylContact C-O 3.49Å; Q649-F679 WeakPolarHBondContact CA-O 3.5Å; Q649-F679 WeakPolarHBondContact CB-O 3.49Å
650	R	97.3	Very high	95	Very high	26 Å²	26	46.7 Å²	46.7	10%	0.098	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	163	175.1	56.2	161.5	-67.8	154.3	9.4	111.3	D629 Q630 A640 P641 I642 I652 F679 V681	D629-R650 PolarHBondContact O-NH1 3.2Å; D629-R650 IonicContact OD1-CZ 3.37Å; D629-R650 IonicContact OD1-NH1 3.98Å; D629-R650 IonicContact OD1-NH2 3.18Å; D629-R650 PolarHBondContact OD1-NH2 2.7Å; D629-R650 IonicContact OD2-CZ 2.71Å; D629-R650 IonicContact OD2-NH1 2.69Å; D629-R650 PolarHBondContact OD2-NH1 3.4Å; D629-R650 VanDerWaalsContact OD2-NH1 3.16Å; D629-R650 IonicContact OD2-NH2 2.66Å; D629-R650 PolarHBondContact OD2-NH2 3.11Å; Q630-R650 VanDerWaalsContact CD-NH2 3.31Å; A640-R650 WeakPolarHBondContact O-CD 3.46Å; P641-R650 WeakPolarHBondContact O-CD 3.26Å; P641-R650 PolarHBondContact O-NH1 3.48Å; I642-R650 HydrophobicContact CD1-CB 3.72Å; I642-R650 HydrophobicContact CD1-CG 3.72Å; R650-I652 HydrophobicContact CG-CD1 4.31Å; R650-I652 HydrophobicContact CG-CG1 4.06Å; R650-F679 PolarHBondContact N-O 3.48Å; R650-F679 WeakPolarHBondContact O-CB 3.07Å; R650-F679 PolarHBondContact O-N 3.17Å; R650-V681 HydrophobicContact CG-CG2 4.01Å
651	D	97.3	Very high	94.9	Very high	80 Å²	80	46.7 Å²	46.7	43%	0.428	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	145.2	169.1	-58.8	-22.1	0	0	0	110.1	F675 L676 E677 G678	D651-F675 HydrophobicContact CB-CE1 3.64Å; D651-F675 HydrophobicContact CB-CE2 4.43Å; D651-F675 HydrophobicContact CB-CZ 3.51Å; D651-L676 WeakPolarHBondContact CA-O 3.4Å; D651-E677 WeakPolarHBondContact OD1-CA 3.4Å; D651-G678 PolarHBondContact OD1-N 2.83Å
652	I	97.7	Very high	94.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.8	-174.9	-55.5	-179.1	0	0	0	109	L638 A640 R650 L654 L676 F679 A687 F689	L638-I652 HydrophobicContact CD2-CG2 4.24Å; A640-I652 HydrophobicContact CB-CD1 3.81Å; A640-I652 HydrophobicContact CB-CG1 4Å; A640-I652 HydrophobicContact CB-CG2 3.89Å; R650-I652 HydrophobicContact CG-CD1 4.31Å; R650-I652 HydrophobicContact CG-CG1 4.06Å; I652-L654 HydrophobicContact CG2-CD2 4.42Å; I652-L676 HydrophobicContact CB-CB 4.35Å; I652-L676 PolarHBondContact N-O 3.28Å; I652-L676 VanDerWaalsContact N-O 3.08Å; I652-L676 PolarHBondContact O-N 3.09Å; I652-F679 HydrophobicContact CD1-CB 3.77Å; I652-F679 HydrophobicContact CD1-CD1 3.59Å; I652-F679 HydrophobicContact CD1-CE1 4.38Å; I652-F679 HydrophobicContact CD1-CG 3.76Å; I652-F679 HydrophobicContact CG1-CB 4.19Å; I652-A687 HydrophobicContact CD1-CB 3.62Å; I652-F689 HydrophobicContact CD1-CE2 3.83Å; I652-F689 HydrophobicContact CD1-CZ 4.11Å; I652-F689 HydrophobicContact CG2-CE2 3.93Å; I652-F689 HydrophobicContact CG2-CZ 4.48Å
653	Y	97.5	Very high	94.8	Very high	30 Å²	30	48.1 Å²	48.1	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124	174	-174	-117.4	0	0	0	111.5	L614 D621 M623 T624 T674 F675	L614-Y653 HydrophobicContact CD1-CD1 4.25Å; D621-Y653 VanDerWaalsContact OD2-CE1 3.23Å; D621-Y653 WeakPolarHBondContact OD2-CE1 3.37Å; D621-Y653 VanDerWaalsContact OD2-CZ 3.26Å; D621-Y653 PolarHBondContact OD2-OH 3.11Å; M623-Y653 HydrophobicContact CB-CE1 4.26Å; T624-Y653 HydrophobicContact CG2-CD1 4.06Å; T624-Y653 HydrophobicContact CG2-CE1 3.65Å; Y653-T674 WeakPolarHBondContact CD2-O 3.46Å; Y653-F675 HydrophobicContact CD2-CB 4.22Å; Y653-F675 HydrophobicContact CD2-CD2 4Å; Y653-F675 HydrophobicContact CG-CD2 4.41Å
654	L	96.9	Very high	94.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.1	178.3	-62.6	175.7	0	0	0	109	L638 I652 W661 F670 G673 T674 L676 F689	L638-L654 HydrophobicContact CD1-CD2 4.35Å; I652-L654 HydrophobicContact CG2-CD2 4.42Å; L654-W661 HydrophobicContact CB-CG 4.26Å; L654-W661 HydrophobicContact CD1-CB 4Å; L654-W661 HydrophobicContact CD1-CG 4.42Å; L654-W661 HydrophobicContact CD2-CB 4.01Å; L654-W661 HydrophobicContact CD2-CD2 4.47Å; L654-W661 HydrophobicContact CD2-CG 4.02Å; L654-W661 HydrophobicContact CG-CB 4.46Å; L654-W661 HydrophobicContact CG-CG 4.47Å; L654-F670 HydrophobicContact CD1-CB 3.48Å; L654-F670 VanDerWaalsContact CD1-CB 3.48Å; L654-F670 HydrophobicContact CD1-CD2 4.47Å; L654-F670 HydrophobicContact CD1-CG 4.14Å; L654-G673 WeakPolarHBondContact O-CA 3.45Å; L654-G673 PolarHBondContact O-N 2.96Å; L654-T674 PolarHBondContact N-O 3.02Å; L654-L676 HydrophobicContact CD1-CD1 3.85Å; L654-L676 HydrophobicContact CD1-CG 4.17Å; L654-L676 HydrophobicContact CG-CD1 4.3Å; L654-F689 HydrophobicContact CD2-CB 4.27Å; L654-F689 HydrophobicContact CD2-CD1 4.02Å; L654-F689 HydrophobicContact CD2-CD2 4.02Å; L654-F689 HydrophobicContact CD2-CE1 4.37Å; L654-F689 HydrophobicContact CD2-CE2 4.38Å; L654-F689 HydrophobicContact CD2-CG 3.84Å
655	P	94.4	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.294	C	S	.	.			trans	-75.4	166	-175.8	32.7	-36.9	0	0	0	112.6	L614 L617 T624 L632 L638 W661	L614-P655 HydrophobicContact CB-CB 4.43Å; L614-P655 HydrophobicContact CD2-CG 4.26Å; L617-P655 HydrophobicContact CB-CB 4.24Å; L617-P655 HydrophobicContact CB-CG 4.34Å; L617-P655 HydrophobicContact CD1-CG 4.15Å; T624-P655 HydrophobicContact CG2-CB 4.47Å; L632-P655 HydrophobicContact CD2-CG 4.5Å; L638-P655 HydrophobicContact CD1-CG 4.16Å; P655-W661 HydrophobicContact CG-CZ2 3.96Å; P655-W661 PolarHBondContact O-NE1 3.16Å
656	D	88.6	Confident	93.8	Very high	44 Å²	44	46 Å²	46	24%	0.235	29%	0.288	C	S	.	.			trans	56	101.2	179.1	-161.8	-22.7	0	0	0	115.4	L617 S618 G658 F659 G672	L617-D656 HydrophobicContact CB-CB 4.25Å; S618-D656 VanDerWaalsContact OG-CA 3.31Å; S618-D656 WeakPolarHBondContact OG-CA 3.35Å; S618-D656 PolarHBondContact OG-N 2.84Å; D656-G658 PolarHBondContact O-N 2.89Å; D656-G658 WeakPolarHBondContact OD1-CA 3.37Å; D656-G658 PolarHBondContact OD1-N 3.46Å; D656-F659 HydrophobicContact CB-CD2 3.62Å; D656-F659 HydrophobicContact CB-CE2 3.68Å; D656-F659 HydrophobicContact CB-CG 4.11Å; D656-F659 HydrophobicContact CB-CZ 4.22Å; D656-F659 PolarHBondContact O-N 3.35Å; D656-F659 WeakPolarHBondContact OD2-CE2 3.44Å; D656-F659 WeakPolarHBondContact OD2-CZ 3.49Å; D656-G672 WeakPolarHBondContact O-CA 2.78Å
657	G	80.4	Confident	93.3	Very high	64 Å²	64	50.6 Å²	50.6	66%	0.66	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-1.8	175.1	0	0	0	0	0	116.1	G672	G657-G672 WeakPolarHBondContact CA-O 3.4Å
658	G	85.7	Confident	93.2	Very high	66 Å²	66	54.6 Å²	54.6	68%	0.68	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-9.3	168.2	0	0	0	0	0	114.6	D656	D656-G658 PolarHBondContact O-N 2.89Å; D656-G658 WeakPolarHBondContact OD1-CA 3.37Å; D656-G658 PolarHBondContact OD1-N 3.46Å
659	F	90.7	Very high	93.1	Very high	39 Å²	39	53.7 Å²	53.7	17%	0.171	30%	0.303	C	S	.	.			trans	-106.7	163.6	-177.5	-57.7	-18.1	0	0	0	113	L617 D656 W661 G672 R691	L617-F659 HydrophobicContact CB-CE2 4.42Å; L617-F659 HydrophobicContact CD1-CD2 4.48Å; L617-F659 HydrophobicContact CD1-CE2 4.16Å; L617-F659 HydrophobicContact CD2-CE2 4.16Å; L617-F659 HydrophobicContact CG-CE2 4.47Å; D656-F659 HydrophobicContact CB-CD2 3.62Å; D656-F659 HydrophobicContact CB-CE2 3.68Å; D656-F659 HydrophobicContact CB-CG 4.11Å; D656-F659 HydrophobicContact CB-CZ 4.22Å; D656-F659 PolarHBondContact O-N 3.35Å; D656-F659 WeakPolarHBondContact OD2-CE2 3.44Å; D656-F659 WeakPolarHBondContact OD2-CZ 3.49Å; F659-W661 HydrophobicContact CD2-CZ2 4.38Å; F659-G672 PolarHBondContact O-N 2.77Å; F659-R691 HydrophobicContact CB-CG 4.37Å; F659-R691 HydrophobicContact CD2-CG 4.34Å; F659-R691 VanDerWaalsContact CD2-NE 3.35Å; F659-R691 VanDerWaalsContact CE2-CZ 3.47Å; F659-R691 HydrophobicContact CG-CG 4.37Å; F659-R691 VanDerWaalsContact CZ-CZ 3.4Å
660	Q	95.1	Very high	93.1	Very high	94 Å²	94	50 Å²	50	44%	0.439	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.8	165.5	-66.7	-164.3	-43.9	0	0	109.6	V669 F670 D671 R692	Q660-V669 HydrophobicContact CB-CG1 3.8Å; Q660-V669 HydrophobicContact CG-CG1 4.38Å; Q660-F670 WeakPolarHBondContact CA-O 3.31Å; Q660-D671 PolarHBondContact NE2-OD1 3.07Å; Q660-R692 HydrophobicContact CB-CB 4.11Å; Q660-R692 PolarHBondContact O-N 2.67Å
661	W	96.8	Very high	93	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.7	-176	-69.9	97.3	0	0	0	109.4	L617 L632 L638 L654 P655 F659 V669 F670 F689 R691	L617-W661 HydrophobicContact CD1-CH2 3.95Å; L617-W661 HydrophobicContact CD1-CZ2 3.76Å; L632-W661 HydrophobicContact CD2-CH2 3.78Å; L632-W661 HydrophobicContact CD2-CZ2 4.45Å; L638-W661 HydrophobicContact CB-CE3 4.21Å; L638-W661 HydrophobicContact CB-CH2 4.21Å; L638-W661 HydrophobicContact CB-CZ3 3.78Å; L654-W661 HydrophobicContact CB-CG 4.26Å; L654-W661 HydrophobicContact CD1-CB 4Å; L654-W661 HydrophobicContact CD1-CG 4.42Å; L654-W661 HydrophobicContact CD2-CB 4.01Å; L654-W661 HydrophobicContact CD2-CD2 4.47Å; L654-W661 HydrophobicContact CD2-CG 4.02Å; L654-W661 HydrophobicContact CG-CB 4.46Å; L654-W661 HydrophobicContact CG-CG 4.47Å; P655-W661 HydrophobicContact CG-CZ2 3.96Å; P655-W661 PolarHBondContact O-NE1 3.16Å; F659-W661 HydrophobicContact CD2-CZ2 4.38Å; W661-V669 WeakPolarHBondContact O-CA 3.4Å; W661-F670 PolarHBondContact N-O 3.17Å; W661-F670 PolarHBondContact O-N 3.05Å; W661-F689 HydrophobicContact CB-CB 4.23Å; W661-F689 HydrophobicContact CE3-CB 3.94Å; W661-R691 HydrophobicContact CE3-CB 4.12Å; W661-R691 HydrophobicContact CH2-CB 4.16Å; W661-R691 HydrophobicContact CZ3-CB 3.86Å
662	Q	96.8	Very high	92.8	Very high	26 Å²	26	49.9 Å²	49.9	12%	0.121	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125	177.6	-169.3	-178.9	15.3	0	0	110.4	S664 E667 Q668 V669 F689 L690 R692	Q662-S664 PolarHBondContact O-N 3.11Å; Q662-E667 WeakPolarHBondContact CG-O 3.26Å; Q662-E667 PolarHBondContact NE2-O 3Å; Q662-Q668 CarbonylContact C-O 3.37Å; Q662-Q668 VanDerWaalsContact CA-O 3.3Å; Q662-Q668 WeakPolarHBondContact CA-O 3.5Å; Q662-V669 HydrophobicContact CB-CG2 4.13Å; Q662-V669 HydrophobicContact CG-CG2 3.94Å; Q662-F689 CarbonylContact O-C 3.52Å; Q662-F689 VanDerWaalsContact O-CA 3.26Å; Q662-F689 WeakPolarHBondContact O-CA 3.42Å; Q662-L690 PolarHBondContact N-O 3.02Å; Q662-L690 PolarHBondContact O-N 2.92Å; Q662-R692 HydrophobicContact CB-CG 4.15Å; Q662-R692 VanDerWaalsContact CD-NH2 3.3Å; Q662-R692 VanDerWaalsContact OE1-CZ 3.26Å
663	D	96.3	Very high	92.6	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	124.2	166.3	166.9	31.2	0	0	0	110.1	Q665 S666 E667 Q668 F670 F689	D663-Q665 PolarHBondContact O-N 2.87Å; D663-Q665 PolarHBondContact OD1-N 3Å; D663-S666 WeakPolarHBondContact OD2-CB 3.47Å; D663-S666 PolarHBondContact OD2-N 3.16Å; D663-S666 PolarHBondContact OD2-OG 3.31Å; D663-E667 WeakPolarHBondContact O-CA 3.47Å; D663-E667 PolarHBondContact O-N 2.81Å; D663-Q668 PolarHBondContact N-O 3.13Å; D663-F670 HydrophobicContact CB-CE2 4.22Å; D663-F689 HydrophobicContact CB-CD1 4.13Å; D663-F689 HydrophobicContact CB-CE1 3.98Å
664	S	93.6	Very high	92.4	Very high	51 Å²	51	52.7 Å²	52.7	36%	0.357	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.5	178.7	60.6	0	0	0	0	114.4	Q662 V688	Q662-S664 PolarHBondContact O-N 3.11Å; S664-V688 VanDerWaalsContact CB-O 3.31Å; S664-V688 WeakPolarHBondContact CB-O 3.41Å; S664-V688 PolarHBondContact N-O 3.17Å; S664-V688 PolarHBondContact OG-O 3.39Å
665	Q	89.5	Confident	92.3	Very high	97 Å²	97	57.1 Å²	57.1	45%	0.453	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-53.5	-178.6	-56.2	-149	3.8	0	0	114.2	D663 D685	D663-Q665 PolarHBondContact O-N 2.87Å; D663-Q665 PolarHBondContact OD1-N 3Å; Q665-D685 PolarHBondContact NE2-OD1 3.34Å; Q665-D685 PolarHBondContact OE1-OD1 3.03Å
666	S	86.6	Confident	92.4	Very high	56 Å²	56	58.1 Å²	58.1	39%	0.392	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	4.4	-172.5	69	0	0	0	0	114.5	D663 Q668	D663-S666 WeakPolarHBondContact OD2-CB 3.47Å; D663-S666 PolarHBondContact OD2-N 3.16Å; D663-S666 PolarHBondContact OD2-OG 3.31Å; S666-Q668 PolarHBondContact O-N 2.96Å; S666-Q668 WeakPolarHBondContact OG-CG 3.2Å; S666-Q668 PolarHBondContact OG-NE2 3.24Å
667	E	86.8	Confident	92.8	Very high	153 Å²	153	63.9 Å²	63.9	72%	0.715	37%	0.367	S	S	*	.			trans	57.3	1.2	-171.5	-64	-166.6	161.8	0	0	115.7	Q662 D663	Q662-E667 WeakPolarHBondContact CG-O 3.26Å; Q662-E667 PolarHBondContact NE2-O 3Å; D663-E667 WeakPolarHBondContact O-CA 3.47Å; D663-E667 PolarHBondContact O-N 2.81Å
668	Q	94.5	Very high	93.6	Very high	108 Å²	108	62 Å²	62	51%	0.505	35%	0.348	S	S	.	.			trans	-62.1	138.2	-179.3	-72.3	179.4	89.4	0	0	111.6	Q662 D663 S666 F670	Q662-Q668 CarbonylContact C-O 3.37Å; Q662-Q668 VanDerWaalsContact CA-O 3.3Å; Q662-Q668 WeakPolarHBondContact CA-O 3.5Å; D663-Q668 PolarHBondContact N-O 3.13Å; S666-Q668 PolarHBondContact O-N 2.96Å; S666-Q668 WeakPolarHBondContact OG-CG 3.2Å; S666-Q668 PolarHBondContact OG-NE2 3.24Å; Q668-F670 HydrophobicContact CB-CE2 3.78Å; Q668-F670 HydrophobicContact CB-CZ 3.84Å
669	V	96	Very high	94.1	Very high	66 Å²	66	60.1 Å²	60.1	40%	0.4	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.5	179.1	-178.2	0	0	0	0	109.6	Q660 W661 Q662	Q660-V669 HydrophobicContact CB-CG1 3.8Å; Q660-V669 HydrophobicContact CG-CG1 4.38Å; W661-V669 WeakPolarHBondContact O-CA 3.4Å; Q662-V669 HydrophobicContact CB-CG2 4.13Å; Q662-V669 HydrophobicContact CG-CG2 3.94Å
670	F	96.2	Very high	94.4	Very high	42 Å²	42	62.6 Å²	62.6	18%	0.184	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.3	178.4	-54.4	-86.8	0	0	0	108.9	L654 Q660 W661 D663 Q668 L676 F679 F689	L654-F670 HydrophobicContact CD1-CB 3.48Å; L654-F670 VanDerWaalsContact CD1-CB 3.48Å; L654-F670 HydrophobicContact CD1-CD2 4.47Å; L654-F670 HydrophobicContact CD1-CG 4.14Å; Q660-F670 WeakPolarHBondContact CA-O 3.31Å; W661-F670 PolarHBondContact N-O 3.17Å; W661-F670 PolarHBondContact O-N 3.05Å; D663-F670 HydrophobicContact CB-CE2 4.22Å; Q668-F670 HydrophobicContact CB-CE2 3.78Å; Q668-F670 HydrophobicContact CB-CZ 3.84Å; F670-L676 HydrophobicContact CD1-CD1 4.33Å; F670-L676 HydrophobicContact CD1-CD2 3.59Å; F670-L676 HydrophobicContact CD2-CD1 4.36Å; F670-L676 HydrophobicContact CE1-CD1 4.44Å; F670-L676 HydrophobicContact CE1-CD2 3.93Å; F670-L676 HydrophobicContact CE2-CD1 4.48Å; F670-L676 HydrophobicContact CG-CD1 4.29Å; F670-L676 HydrophobicContact CG-CD2 4.16Å; F670-F679 HydrophobicContact CE2-CE2 4.4Å; F670-F679 HydrophobicContact CZ-CE2 4.25Å; F670-F689 HydrophobicContact CD2-CD1 4.3Å; F670-F689 AromaticContact CD2-CE1 3.94Å; F670-F689 HydrophobicContact CD2-CE1 3.94Å; F670-F689 AromaticContact CE2-CE1 3.93Å; F670-F689 HydrophobicContact CE2-CE1 3.93Å
671	D	95.4	Very high	94.5	Very high	96 Å²	96	58.2 Å²	58.2	51%	0.513	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.5	171.6	-59.9	-49.8	0	0	0	109.8	Q660 T674	Q660-D671 PolarHBondContact NE2-OD1 3.07Å; D671-T674 WeakPolarHBondContact O-CB 3.39Å; D671-T674 PolarHBondContact O-OG1 3.17Å
672	G	93.9	Very high	94.4	Very high	8 Å²	8	61.1 Å²	61.1	8%	0.082	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	169.6	173.4	0	0	0	0	0	112.7	D656 G657 F659 T674	D656-G672 WeakPolarHBondContact O-CA 2.78Å; G657-G672 WeakPolarHBondContact CA-O 3.4Å; F659-G672 PolarHBondContact O-N 2.77Å; G672-T674 PolarHBondContact O-N 3.16Å
673	G	92.8	Very high	94.3	Very high	38 Å²	38	62.8 Å²	62.8	39%	0.392	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	5.7	-164.9	0	0	0	0	0	113.8	L654	L654-G673 WeakPolarHBondContact O-CA 3.45Å; L654-G673 PolarHBondContact O-N 2.96Å
674	T	93.2	Very high	94	Very high	51 Å²	51	66.7 Å²	66.7	31%	0.313	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.7	-177.3	-58.8	0	0	0	0	111.4	Y653 L654 D671 G672 L676	Y653-T674 WeakPolarHBondContact CD2-O 3.46Å; L654-T674 PolarHBondContact N-O 3.02Å; D671-T674 WeakPolarHBondContact O-CB 3.39Å; D671-T674 PolarHBondContact O-OG1 3.17Å; G672-T674 PolarHBondContact O-N 3.16Å; T674-L676 HydrophobicContact CG2-CD2 3.84Å
675	F	95.4	Very high	94	Very high	94 Å²	94	66.6 Å²	66.6	41%	0.412	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.8	167.8	-163.6	-97.9	0	0	0	109.1	D651 Y653 E677	D651-F675 HydrophobicContact CB-CE1 3.64Å; D651-F675 HydrophobicContact CB-CE2 4.43Å; D651-F675 HydrophobicContact CB-CZ 3.51Å; Y653-F675 HydrophobicContact CD2-CB 4.22Å; Y653-F675 HydrophobicContact CD2-CD2 4Å; Y653-F675 HydrophobicContact CG-CD2 4.41Å; F675-E677 HydrophobicContact CD1-CG 3.94Å; F675-E677 HydrophobicContact CE1-CG 4.22Å
676	L	96.7	Very high	94.3	Very high	20 Å²	20	62 Å²	62	11%	0.105	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	99.7	178.4	-57.4	-179.6	0	0	0	109	D651 I652 L654 F670 T674 F679 F689	D651-L676 WeakPolarHBondContact CA-O 3.4Å; I652-L676 HydrophobicContact CB-CB 4.35Å; I652-L676 PolarHBondContact N-O 3.28Å; I652-L676 VanDerWaalsContact N-O 3.08Å; I652-L676 PolarHBondContact O-N 3.09Å; L654-L676 HydrophobicContact CD1-CD1 3.85Å; L654-L676 HydrophobicContact CD1-CG 4.17Å; L654-L676 HydrophobicContact CG-CD1 4.3Å; F670-L676 HydrophobicContact CD1-CD1 4.33Å; F670-L676 HydrophobicContact CD1-CD2 3.59Å; F670-L676 HydrophobicContact CD2-CD1 4.36Å; F670-L676 HydrophobicContact CE1-CD1 4.44Å; F670-L676 HydrophobicContact CE1-CD2 3.93Å; F670-L676 HydrophobicContact CE2-CD1 4.48Å; F670-L676 HydrophobicContact CG-CD1 4.29Å; F670-L676 HydrophobicContact CG-CD2 4.16Å; T674-L676 HydrophobicContact CG2-CD2 3.84Å; L676-F679 HydrophobicContact CB-CB 4.37Å; L676-F679 HydrophobicContact CD1-CD2 3.89Å; L676-F679 HydrophobicContact CD1-CE2 4.32Å; L676-F689 HydrophobicContact CD1-CE1 3.9Å; L676-F689 HydrophobicContact CD1-CZ 3.81Å
677	E	96.7	Very high	94.8	Very high	166 Å²	166	59.5 Å²	59.5	78%	0.776	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.2	176.1	-63.5	-179.1	-179.1	0	0	111.2	D651 F675 F679	D651-E677 WeakPolarHBondContact OD1-CA 3.4Å; F675-E677 HydrophobicContact CD1-CG 3.94Å; F675-E677 HydrophobicContact CE1-CG 4.22Å; E677-F679 VanDerWaalsContact C-N 3.33Å; E677-F679 PolarHBondContact O-N 2.95Å
678	G	96.3	Very high	95.4	Very high	25 Å²	25	52.5 Å²	52.5	26%	0.258	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.4	32	171.5	0	0	0	0	0	115.7	D651	D651-G678 PolarHBondContact OD1-N 2.83Å
679	F	97.2	Very high	95.5	Very high	25 Å²	25	47.3 Å²	47.3	11%	0.11	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	129.5	178.8	-171.8	-86.8	0	0	0	111.1	Q649 R650 I652 F670 L676 E677 V681 A687 F689	Q649-F679 CarbonylContact C-O 3.49Å; Q649-F679 WeakPolarHBondContact CA-O 3.5Å; Q649-F679 WeakPolarHBondContact CB-O 3.49Å; R650-F679 PolarHBondContact N-O 3.48Å; R650-F679 WeakPolarHBondContact O-CB 3.07Å; R650-F679 PolarHBondContact O-N 3.17Å; I652-F679 HydrophobicContact CD1-CB 3.77Å; I652-F679 HydrophobicContact CD1-CD1 3.59Å; I652-F679 HydrophobicContact CD1-CE1 4.38Å; I652-F679 HydrophobicContact CD1-CG 3.76Å; I652-F679 HydrophobicContact CG1-CB 4.19Å; F670-F679 HydrophobicContact CE2-CE2 4.4Å; F670-F679 HydrophobicContact CZ-CE2 4.25Å; L676-F679 HydrophobicContact CB-CB 4.37Å; L676-F679 HydrophobicContact CD1-CD2 3.89Å; L676-F679 HydrophobicContact CD1-CE2 4.32Å; E677-F679 VanDerWaalsContact C-N 3.33Å; E677-F679 PolarHBondContact O-N 2.95Å; F679-V681 HydrophobicContact CD1-CG2 3.94Å; F679-V681 HydrophobicContact CE1-CG2 4.47Å; F679-A687 HydrophobicContact CD1-CB 4.03Å; F679-A687 HydrophobicContact CE1-CB 3.81Å; F679-F689 HydrophobicContact CD1-CZ 4.48Å; F679-F689 HydrophobicContact CD2-CZ 4.21Å; F679-F689 HydrophobicContact CE1-CZ 4.11Å; F679-F689 HydrophobicContact CE2-CE1 4.1Å; F679-F689 AromaticContact CE2-CZ 3.79Å; F679-F689 HydrophobicContact CE2-CZ 3.79Å; F679-F689 HydrophobicContact CZ-CE1 4.2Å; F679-F689 AromaticContact CZ-CZ 3.74Å; F679-F689 HydrophobicContact CZ-CZ 3.74Å
680	P	96.9	Very high	95.6	Very high	92 Å²	92	47.7 Å²	47.7	60%	0.597	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	131	-173.2	29.8	-34.9	0	0	0	112.5
681	V	96.8	Very high	95.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.273	C	S	.	.			trans	-141.6	82.9	-179.6	-170.1	0	0	0	0	109.2	R552 I642 V648 R650 F679 D685 A687	R552-V681 PolarHBondContact NH2-O 3.4Å; I642-V681 HydrophobicContact CD1-CB 4.12Å; I642-V681 HydrophobicContact CG1-CB 3.79Å; I642-V681 HydrophobicContact CG1-CG1 3.72Å; V648-V681 CarbonylContact C-O 3.5Å; V648-V681 VanDerWaalsContact CA-O 3.31Å; V648-V681 WeakPolarHBondContact CA-O 3.47Å; V648-V681 CarbonylContact O-C 3.48Å; V648-V681 PolarHBondContact O-N 3.14Å; R650-V681 HydrophobicContact CG-CG2 4.01Å; F679-V681 HydrophobicContact CD1-CG2 3.94Å; F679-V681 HydrophobicContact CE1-CG2 4.47Å; V681-D685 WeakPolarHBondContact CG1-O 3.33Å; V681-A687 HydrophobicContact CG2-CB 3.82Å
682	P	95.8	Very high	95.1	Very high	62 Å²	62	51.4 Å²	51.4	40%	0.403	27%	0.272	S	S	.	.			trans	-68	171.7	-177.5	29.2	-34.3	0	0	0	112.6	R552 E684 D685	R552-P682 PolarHBondContact NH1-O 3.48Å; R552-P682 PolarHBondContact NH2-O 2.99Å; P682-E684 PolarHBondContact O-N 2.85Å; P682-D685 HydrophobicContact CG-CB 3.97Å; P682-D685 WeakPolarHBondContact CG-OD2 3.38Å; P682-D685 PolarHBondContact O-N 2.97Å; P682-D685 VanDerWaalsContact O-N 3.16Å; P682-D685 VanDerWaalsContact O-O 3.08Å
683	L	93.2	Very high	93.5	Very high	61 Å²	61	60 Å²	60	32%	0.319	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	6.5	-169.6	-173.5	53.6	0	0	0	115.4	E548 I551 R552	E548-L683 HydrophobicContact CG-CD1 3.82Å; E548-L683 HydrophobicContact CG-CD2 4.27Å; I551-L683 HydrophobicContact CB-CD1 4.35Å; I551-L683 HydrophobicContact CD1-CG 4.49Å; I551-L683 HydrophobicContact CG2-CD1 4.25Å; I551-L683 VanDerWaalsContact CG2-O 3.25Å; I551-L683 WeakPolarHBondContact CG2-O 3.41Å; R552-L683 HydrophobicContact CG-CD1 4.36Å
684	E	91.2	Very high	93.5	Very high	89 Å²	89	61.2 Å²	61.2	42%	0.416	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	0.3	173.9	-57.3	-161.1	147.1	0	0	111.8	Q576 L580 Y584 P682	Q576-E684 WeakPolarHBondContact CG-OE1 3.42Å; Q576-E684 PolarHBondContact NE2-OE1 2.97Å; L580-E684 HydrophobicContact CD1-CG 4.16Å; L580-E684 HydrophobicContact CD2-CB 3.82Å; L580-E684 HydrophobicContact CD2-CG 4Å; Y584-E684 PolarHBondContact OH-O 3.34Å; P682-E684 PolarHBondContact O-N 2.85Å
685	D	92.6	Very high	93.5	Very high	48 Å²	48	61.7 Å²	61.7	26%	0.257	33%	0.329	S	S	.	.			trans	-135.2	151.8	-163.9	-73.7	-62.1	0	0	0	112.6	R552 Q665 V681 P682	R552-D685 PolarHBondContact NH1-O 2.98Å; Q665-D685 PolarHBondContact NE2-OD1 3.34Å; Q665-D685 PolarHBondContact OE1-OD1 3.03Å; V681-D685 WeakPolarHBondContact CG1-O 3.33Å; P682-D685 HydrophobicContact CG-CB 3.97Å; P682-D685 WeakPolarHBondContact CG-OD2 3.38Å; P682-D685 PolarHBondContact O-N 2.97Å; P682-D685 VanDerWaalsContact O-N 3.16Å; P682-D685 VanDerWaalsContact O-O 3.08Å
686	V	96.1	Very high	93.4	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	32%	0.324	C	S	.	.			trans	-128.3	134.3	174.7	50.1	0	0	0	0	108.9	E555 F559 Y584 V639 P641 V688	E555-V686 HydrophobicContact CB-CB 4.26Å; E555-V686 HydrophobicContact CG-CB 4.45Å; F559-V686 HydrophobicContact CE2-CG1 3.67Å; F559-V686 HydrophobicContact CZ-CG1 4.15Å; Y584-V686 HydrophobicContact CE1-CG1 4.05Å; V639-V686 HydrophobicContact CG1-CG2 4.03Å; P641-V686 HydrophobicContact CB-CG2 3.99Å; V686-V688 HydrophobicContact CG1-CG2 4.19Å; V686-V688 HydrophobicContact CG2-CG2 4.22Å; V686-V688 PolarHBondContact O-N 3.39Å
687	A	97.6	Very high	93.3	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.033	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	121.7	177.6	0	0	0	0	0	110	A640 I652 F679 V681 F689	A640-A687 HydrophobicContact CB-CB 4.21Å; A640-A687 PolarHBondContact N-O 3.16Å; I652-A687 HydrophobicContact CD1-CB 3.62Å; F679-A687 HydrophobicContact CD1-CB 4.03Å; F679-A687 HydrophobicContact CE1-CB 3.81Å; V681-A687 HydrophobicContact CG2-CB 3.82Å; A687-F689 HydrophobicContact CB-CE2 4.01Å
688	V	97.9	Very high	93	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124.5	-178.6	177.5	0	0	0	0	108.6	F559 V637 L638 V639 S664 V686 L690	F559-V688 HydrophobicContact CE1-CG1 4.28Å; F559-V688 HydrophobicContact CE1-CG2 3.77Å; F559-V688 HydrophobicContact CE2-CG2 4.39Å; F559-V688 HydrophobicContact CZ-CG2 3.64Å; V637-V688 HydrophobicContact CG1-CG1 3.62Å; L638-V688 CarbonylContact O-C 3.56Å; L638-V688 VanDerWaalsContact O-CA 3.3Å; L638-V688 WeakPolarHBondContact O-CA 3.25Å; V639-V688 HydrophobicContact CG1-CG2 4.27Å; V639-V688 HydrophobicContact CG2-CG2 4.48Å; S664-V688 VanDerWaalsContact CB-O 3.31Å; S664-V688 WeakPolarHBondContact CB-O 3.41Å; S664-V688 PolarHBondContact N-O 3.17Å; S664-V688 PolarHBondContact OG-O 3.39Å; V686-V688 HydrophobicContact CG1-CG2 4.19Å; V686-V688 HydrophobicContact CG2-CG2 4.22Å; V686-V688 PolarHBondContact O-N 3.39Å; V688-L690 HydrophobicContact CG1-CD2 4.48Å
689	F	97.9	Very high	92.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.3	-178.4	-58.8	-98.7	0	0	0	110.4	V637 L638 I652 L654 W661 Q662 D663 F670 L676 F679 A687	V637-F689 WeakPolarHBondContact CA-O 3.28Å; L638-F689 HydrophobicContact CB-CB 4.4Å; L638-F689 HydrophobicContact CD2-CD2 3.9Å; L638-F689 PolarHBondContact N-O 3.06Å; L638-F689 PolarHBondContact O-N 3.38Å; I652-F689 HydrophobicContact CD1-CE2 3.83Å; I652-F689 HydrophobicContact CD1-CZ 4.11Å; I652-F689 HydrophobicContact CG2-CE2 3.93Å; I652-F689 HydrophobicContact CG2-CZ 4.48Å; L654-F689 HydrophobicContact CD2-CB 4.27Å; L654-F689 HydrophobicContact CD2-CD1 4.02Å; L654-F689 HydrophobicContact CD2-CD2 4.02Å; L654-F689 HydrophobicContact CD2-CE1 4.37Å; L654-F689 HydrophobicContact CD2-CE2 4.38Å; L654-F689 HydrophobicContact CD2-CG 3.84Å; W661-F689 HydrophobicContact CB-CB 4.23Å; W661-F689 HydrophobicContact CE3-CB 3.94Å; Q662-F689 CarbonylContact O-C 3.52Å; Q662-F689 VanDerWaalsContact O-CA 3.26Å; Q662-F689 WeakPolarHBondContact O-CA 3.42Å; D663-F689 HydrophobicContact CB-CD1 4.13Å; D663-F689 HydrophobicContact CB-CE1 3.98Å; F670-F689 HydrophobicContact CD2-CD1 4.3Å; F670-F689 AromaticContact CD2-CE1 3.94Å; F670-F689 HydrophobicContact CD2-CE1 3.94Å; F670-F689 AromaticContact CE2-CE1 3.93Å; F670-F689 HydrophobicContact CE2-CE1 3.93Å; L676-F689 HydrophobicContact CD1-CE1 3.9Å; L676-F689 HydrophobicContact CD1-CZ 3.81Å; F679-F689 HydrophobicContact CD1-CZ 4.48Å; F679-F689 HydrophobicContact CD2-CZ 4.21Å; F679-F689 HydrophobicContact CE1-CZ 4.11Å; F679-F689 HydrophobicContact CE2-CE1 4.1Å; F679-F689 AromaticContact CE2-CZ 3.79Å; F679-F689 HydrophobicContact CE2-CZ 3.79Å; F679-F689 HydrophobicContact CZ-CE1 4.2Å; F679-F689 AromaticContact CZ-CZ 3.74Å; F679-F689 HydrophobicContact CZ-CZ 3.74Å; A687-F689 HydrophobicContact CB-CE2 4.01Å
690	L	96.8	Very high	92.5	Very high	73 Å²	73	60.1 Å²	60.1	38%	0.382	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.3	177.7	-53	-179.8	0	0	0	108.9	V637 Q662 V688	V637-L690 HydrophobicContact CB-CD2 4.5Å; V637-L690 HydrophobicContact CG1-CD2 4.21Å; V637-L690 HydrophobicContact CG2-CD2 3.74Å; Q662-L690 PolarHBondContact N-O 3.02Å; Q662-L690 PolarHBondContact O-N 2.92Å; V688-L690 HydrophobicContact CG1-CD2 4.48Å
691	R	94.4	Very high	92.2	Very high	88 Å²	88	57.7 Å²	57.7	33%	0.332	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.5	176.4	-176.7	-179	166.9	-160.6	-3.6	110.8	D635 E636 F659 W661	D635-R691 WeakPolarHBondContact O-CD 3.32Å; D635-R691 PolarHBondContact O-NH1 3.05Å; E636-R691 WeakPolarHBondContact O-CB 3.48Å; E636-R691 PolarHBondContact O-N 2.83Å; F659-R691 HydrophobicContact CB-CG 4.37Å; F659-R691 HydrophobicContact CD2-CG 4.34Å; F659-R691 VanDerWaalsContact CD2-NE 3.35Å; F659-R691 VanDerWaalsContact CE2-CZ 3.47Å; F659-R691 HydrophobicContact CG-CG 4.37Å; F659-R691 VanDerWaalsContact CZ-CZ 3.4Å; W661-R691 HydrophobicContact CE3-CB 4.12Å; W661-R691 HydrophobicContact CH2-CB 4.16Å; W661-R691 HydrophobicContact CZ3-CB 3.86Å
692	R	87.1	Confident	91.8	Very high	129 Å²	129	62.4 Å²	62.4	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	146.1	169.4	-73.5	-100.3	178	158.1	-5.2	110	Q660 Q662	Q660-R692 HydrophobicContact CB-CB 4.11Å; Q660-R692 PolarHBondContact O-N 2.67Å; Q662-R692 HydrophobicContact CB-CG 4.15Å; Q662-R692 VanDerWaalsContact CD-NH2 3.3Å; Q662-R692 VanDerWaalsContact OE1-CZ 3.26Å
693	S	60.8	Low	91.4	Very high	189 Å²	189	62.5 Å²	62.5	100%	1.322	33%	0.326	S	S	*	.			trans	-105.2	0	177.5	62.9	0	0	0	0	112.1

Retrieved 693 of 693 residues in 993.9 ms (Link to these results)

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