A0A077YX51_TRITR Loading...

Protein FRG1

AlphaFold DB , UniProt , Accession A0A077YX51, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 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	48.2	Very low	52.9	Low	227 Å²	227	151.6 Å²	151.6	100%	1.118	80%	0.798	S	S	*	*				0	-26.1	0	-71.7	-71.6	-158.2	0	0	113.8
2	A	54.5	Low	53.2	Low	86 Å²	86	159 Å²	159	71%	0.711	81%	0.807	S	S	*	*			trans	-85.8	-5	-176.7	0	0	0	0	0	116.2
3	E	54.2	Low	53.4	Low	169 Å²	169	158.9 Å²	158.9	79%	0.79	81%	0.808	S	S	*	*	S	Bend	trans	-89.8	-19.5	-176.3	-77.5	-175.3	135.9	0	0	114.4
4	E	53.3	Low	53.7	Low	151 Å²	151	161.7 Å²	161.7	71%	0.706	81%	0.812	S	S	*	*	S	Bend	trans	-79.1	-31.1	-176.1	-137.1	167.9	128.4	0	0	112.4	R6 R7	E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.46Å; E4-R7 PolarHBondContact O-N 3.25Å
5	Y	55.5	Low	54.3	Low	210 Å²	210	161.7 Å²	161.7	82%	0.824	82%	0.815	S	S	*	*	G	3₁₀ helix	trans	-74.4	-16.7	178.7	-99.4	-95.9	0	0	0	114.5	R7	Y5-R7 VanDerWaalsContact C-N 3.33Å
6	R	56.3	Low	54	Low	212 Å²	212	164.8 Å²	164.8	80%	0.8	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-81	-9.9	176.4	-76.5	-175	177.1	176.6	-0.1	113.7	E4 V8	E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.46Å; R6-V8 PolarHBondContact O-N 3.25Å
7	R	55.5	Low	53.2	Low	220 Å²	220	159.9 Å²	159.9	83%	0.83	82%	0.823	S	S	*	*	G	3₁₀ helix	trans	-79.9	-3.1	177.3	-71.1	-178.8	-175.3	169	2.9	113.8	E4 Y5	E4-R7 PolarHBondContact O-N 3.25Å; Y5-R7 VanDerWaalsContact C-N 3.33Å
8	V	52.4	Low	52.5	Low	118 Å²	118	155.1 Å²	155.1	72%	0.715	82%	0.818	S	S	*	*			trans	-112.8	42	-176.6	-135	0	0	0	0	111.6	R6 G10	R6-V8 PolarHBondContact O-N 3.25Å; V8-G10 PolarHBondContact O-N 2.97Å
9	V	51.4	Low	52.1	Low	130 Å²	130	158.2 Å²	158.2	79%	0.788	82%	0.824	S	S	*	*			trans	-79.6	96.6	166	-179.9	0	0	0	0	107.3	G11	V9-G11 PolarHBondContact O-N 3.35Å
10	G	50	Low	51.6	Low	76 Å²	76	162.8 Å²	162.8	78%	0.784	83%	0.83	S	S	*	*			trans	-53.1	103	-176.2	0	0	0	0	0	113	V8	V8-G10 PolarHBondContact O-N 2.97Å
11	G	50.5	Low	51.5	Low	69 Å²	69	160.6 Å²	160.6	71%	0.711	83%	0.825	S	S	*	*			trans	-65.2	135.7	167.4	0	0	0	0	0	110.2	V9 L13	V9-G11 PolarHBondContact O-N 3.35Å; G11-L13 PolarHBondContact O-N 2.92Å
12	R	56.1	Low	50.9	Low	240 Å²	240	155.8 Å²	155.8	91%	0.906	81%	0.811	S	S	*	*			trans	-50.3	123.2	172.7	-80.7	-173.5	-178.9	-164.5	0.8	110	K14	R12-K14 PolarHBondContact O-N 3.13Å
13	L	56.3	Low	50.5	Low	158 Å²	158	158 Å²	158	83%	0.827	82%	0.815	S	S	*	*			trans	-52.5	111.6	170.3	-118.8	104.4	0	0	0	109.3	G11 L15	G11-L13 PolarHBondContact O-N 2.92Å; L13-L15 HydrophobicContact CD2-CG 4.45Å
14	K	57.7	Low	50.2	Low	198 Å²	198	156.9 Å²	156.9	86%	0.861	81%	0.813	S	S	*	*			trans	-98.6	95.9	170.5	-72.6	-174.8	-179.9	176.6	0	108.3	R12 K16	R12-K14 PolarHBondContact O-N 3.13Å; K14-K16 PolarHBondContact O-N 3.46Å
15	L	62.3	Low	49.4	Very low	162 Å²	162	154.3 Å²	154.3	85%	0.848	82%	0.817	S	S	*	*			trans	-67.8	120.2	172.9	-78.7	160.8	0	0	0	110	L13	L13-L15 HydrophobicContact CD2-CG 4.45Å
16	K	49	Very low	48.9	Very low	210 Å²	210	153.4 Å²	153.4	91%	0.913	82%	0.818	S	S	*	*			trans	-90.1	112.3	-176.2	-159	179.4	-175.7	-176.8	0	109.6	K14	K14-K16 PolarHBondContact O-N 3.46Å
17	G	41.1	Very low	47.8	Very low	83 Å²	83	154 Å²	154	86%	0.856	83%	0.826	S	S	*	*			trans	56.2	91.8	148.3	0	0	0	0	0	119.4
18	G	40.7	Very low	47	Very low	72 Å²	72	146.6 Å²	146.6	74%	0.742	82%	0.818	S	S	*	*			trans	-124.3	136.2	154.6	0	0	0	0	0	109.6	R20	G18-R20 PolarHBondContact O-N 2.99Å
19	K	45.8	Very low	46.5	Very low	215 Å²	215	150.8 Å²	150.8	94%	0.935	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-54.1	128.4	-167.4	-67.8	173.3	179.4	176.7	0	113
20	R	41.5	Very low	46	Very low	249 Å²	249	153.4 Å²	153.4	94%	0.94	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-79.6	117.2	179.2	-66.4	176.4	174.4	176.2	-2.7	111.1	G18	G18-R20 PolarHBondContact O-N 2.99Å
21	T	48.5	Very low	45.6	Very low	118 Å²	118	158.9 Å²	158.9	72%	0.724	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-88.1	140.4	154.1	32.7	0	0	0	0	109.2	V23	T21-V23 PolarHBondContact O-N 2.69Å; T21-V23 VanDerWaalsContact O-N 3.13Å
22	P	37	Very low	45.1	Very low	126 Å²	126	163.9 Å²	163.9	82%	0.818	84%	0.835	S	S	*	*			trans	-82	97.7	-172.5	32.6	-30.3	0	0	0	109.4
23	V	45.9	Very low	44.2	Very low	133 Å²	133	158 Å²	158	81%	0.806	83%	0.828	S	S	*	*			trans	-92.5	112.4	170.5	-173.8	0	0	0	0	109.4	T21 A25	T21-V23 PolarHBondContact O-N 2.69Å; T21-V23 VanDerWaalsContact O-N 3.13Å; V23-A25 PolarHBondContact O-N 3.02Å
24	I	48.1	Very low	43.4	Very low	144 Å²	144	159.7 Å²	159.7	74%	0.738	83%	0.829	S	S	*	*			trans	-37.3	124.2	173.8	-66.8	156	0	0	0	112.3	K26	I24-K26 PolarHBondContact O-N 3.46Å
25	A	35.1	Very low	42.6	Very low	97 Å²	97	158.7 Å²	158.7	80%	0.802	83%	0.827	S	S	*	*			trans	-63.3	116.4	169.7	0	0	0	0	0	111	V23	V23-A25 PolarHBondContact O-N 3.02Å
26	K	45.1	Very low	42.1	Very low	192 Å²	192	154.1 Å²	154.1	84%	0.835	80%	0.803	S	S	*	*			trans	-139	114.6	152.5	-76.6	-168.8	178.2	172.2	0	110.2	I24 G28	I24-K26 PolarHBondContact O-N 3.46Å; K26-G28 PolarHBondContact O-N 3.18Å
27	K	34.7	Very low	42.3	Very low	224 Å²	224	153.7 Å²	153.7	97%	0.974	80%	0.801	S	S	*	*			trans	-48.6	103.3	169.9	-74.2	171.5	171.1	175	0	110.6
28	G	38.3	Very low	43.4	Very low	64 Å²	64	152.9 Å²	152.9	66%	0.66	78%	0.78	S	S	*	*			trans	-105.1	110.5	160	0	0	0	0	0	108	K26 E30	K26-G28 PolarHBondContact O-N 3.18Å; G28-E30 VanDerWaalsContact C-N 3.31Å; G28-E30 PolarHBondContact O-N 3.38Å
29	K	40.6	Very low	45.1	Very low	207 Å²	207	151.8 Å²	151.8	90%	0.9	76%	0.761	S	S	*	*			trans	-61.7	101.1	161.4	-112	178.9	174.7	-179.9	0	105.5	K31	K29-K31 PolarHBondContact O-N 3.27Å
30	E	41.9	Very low	46.8	Very low	185 Å²	185	149.8 Å²	149.8	86%	0.864	76%	0.755	S	S	*	*			trans	-57.1	109.8	164.5	-79.3	178.3	161.6	0	0	106.8	G28 K32	G28-E30 VanDerWaalsContact C-N 3.31Å; G28-E30 PolarHBondContact O-N 3.38Å; E30-K32 PolarHBondContact O-N 3.2Å; E30-K32 VanDerWaalsContact O-N 3.08Å
31	K	41.6	Very low	48.8	Very low	191 Å²	191	140.1 Å²	140.1	83%	0.83	73%	0.725	S	S	*	*			trans	-64.7	109.1	165.7	-79.6	-176	172.9	-174.7	0	105.1	K29	K29-K31 PolarHBondContact O-N 3.27Å
32	K	39.2	Very low	50.6	Low	173 Å²	173	135 Å²	135	75%	0.752	69%	0.693	S	S	*	*			trans	-46.7	137.3	167.6	-72.3	-177.8	174.7	-175.6	0	108.3	E30 K34	E30-K32 PolarHBondContact O-N 3.2Å; E30-K32 VanDerWaalsContact O-N 3.08Å; K32-K34 PolarHBondContact O-N 3.33Å
33	P	38.2	Very low	53.1	Low	117 Å²	117	134 Å²	134	76%	0.76	68%	0.681	S	S	*	*			trans	-51.3	141.2	173	22.8	-31.5	0	0	0	108.5	Q35	P33-Q35 PolarHBondContact O-N 2.98Å
34	K	39.1	Very low	55.1	Low	194 Å²	194	128.9 Å²	128.9	84%	0.843	65%	0.653	S	S	*	*			trans	-45.8	110.1	-179.9	-76.2	175.1	176	173.8	0	107.8	K32 D36	K32-K34 PolarHBondContact O-N 3.33Å; K34-D36 PolarHBondContact O-N 3.01Å; K34-D36 VanDerWaalsContact O-N 3.17Å
35	Q	40.5	Very low	57.2	Low	176 Å²	176	122.5 Å²	122.5	82%	0.822	62%	0.62	S	S	*	*			trans	-59.7	120.9	171.4	-82.8	178.4	-63.1	0	0	106.6	P33 K37	P33-Q35 PolarHBondContact O-N 2.98Å; Q35-K37 PolarHBondContact O-N 3.09Å
36	D	52.2	Low	59.8	Low	67 Å²	67	119.6 Å²	119.6	36%	0.358	60%	0.6	S	S	.	*			trans	-44.2	128.1	167.3	-86.3	-44.2	0	0	0	108.6	K34 V38 I196	K34-D36 PolarHBondContact O-N 3.01Å; K34-D36 VanDerWaalsContact O-N 3.17Å; D36-V38 PolarHBondContact O-N 2.93Å; D36-I196 VanDerWaalsContact OD1-CD1 3.23Å; D36-I196 WeakPolarHBondContact OD1-CD1 3.4Å
37	K	53.5	Low	61.9	Low	200 Å²	200	112.1 Å²	112.1	87%	0.87	58%	0.577	S	S	*	*			trans	-66.3	91.3	161.7	-77.9	-174.5	178.1	-177.7	0	105.5	Q35 S39	Q35-K37 PolarHBondContact O-N 3.09Å; K37-S39 PolarHBondContact O-N 3.26Å; K37-S39 VanDerWaalsContact O-N 3.15Å
38	V	63.4	Low	64.6	Low	67 Å²	67	102.3 Å²	102.3	41%	0.406	53%	0.534	S	S	.	.			trans	-52.7	120.5	170.1	-172.1	0	0	0	0	106	D36 D42 L43	D36-V38 PolarHBondContact O-N 2.93Å; V38-D42 HydrophobicContact CG1-CB 3.71Å; V38-L43 HydrophobicContact CB-CD2 4.24Å; V38-L43 HydrophobicContact CB-CG 4.25Å; V38-L43 HydrophobicContact CG1-CD2 3.69Å; V38-L43 HydrophobicContact CG1-CG 3.68Å
39	S	76.8	Confident	67.1	Low	49 Å²	49	100.6 Å²	100.6	34%	0.343	51%	0.507	S	S	.	.			trans	-67.5	154.3	-177.5	74	0	0	0	0	109.2	K37 S41 D42 L43	K37-S39 PolarHBondContact O-N 3.26Å; K37-S39 VanDerWaalsContact O-N 3.15Å; S39-S41 PolarHBondContact O-N 3.45Å; S39-D42 VanDerWaalsContact CB-OD2 3.32Å; S39-D42 WeakPolarHBondContact CB-OD2 3.29Å; S39-D42 PolarHBondContact N-OD2 3.47Å; S39-D42 PolarHBondContact O-N 3.38Å; S39-D42 PolarHBondContact OG-N 3.44Å; S39-D42 VanDerWaalsContact OG-N 3.12Å; S39-D42 PolarHBondContact OG-OD1 3.13Å; S39-D42 PolarHBondContact OG-OD2 2.95Å; S39-L43 PolarHBondContact O-N 3.34Å
40	E	81.8	Confident	69.4	Low	172 Å²	172	92 Å²	92	80%	0.804	47%	0.473	S	S	*	.	H	α-helix	trans	-56.7	-34.2	176.3	-169.4	174.4	98.6	0	0	111.1	L43 A44	E40-L43 PolarHBondContact O-N 3.23Å; E40-A44 WeakPolarHBondContact O-CB 3.36Å; E40-A44 PolarHBondContact O-N 2.94Å
41	S	83.8	Confident	71.6	Confident	46 Å²	46	83.1 Å²	83.1	32%	0.322	43%	0.432	S	S	.	.	H	α-helix	trans	-60.2	-53.1	170.9	-173.7	0	0	0	0	111.2	S39 L43 A44 H45	S39-S41 PolarHBondContact O-N 3.45Å; S41-L43 PolarHBondContact O-N 3.37Å; S41-A44 WeakPolarHBondContact O-CA 3.49Å; S41-A44 WeakPolarHBondContact O-CB 3.11Å; S41-A44 PolarHBondContact O-N 2.83Å; S41-H45 PolarHBondContact O-CD2 2.97Å; S41-H45 PolarHBondContact O-N 3.32Å
42	D	86.8	Confident	73.6	Confident	10 Å²	10	77 Å²	77	5%	0.053	41%	0.41	C	S	.	.	H	α-helix	trans	-61.3	-36.4	-177.5	-48.2	-45.5	0	0	0	111.8	V38 S39 H45 G47 W49 R194	V38-D42 HydrophobicContact CG1-CB 3.71Å; S39-D42 VanDerWaalsContact CB-OD2 3.32Å; S39-D42 WeakPolarHBondContact CB-OD2 3.29Å; S39-D42 PolarHBondContact N-OD2 3.47Å; S39-D42 PolarHBondContact O-N 3.38Å; S39-D42 PolarHBondContact OG-N 3.44Å; S39-D42 VanDerWaalsContact OG-N 3.12Å; S39-D42 PolarHBondContact OG-OD1 3.13Å; S39-D42 PolarHBondContact OG-OD2 2.95Å; D42-H45 PolarHBondContact O-N 3.03Å; D42-G47 VanDerWaalsContact O-CA 3.23Å; D42-G47 WeakPolarHBondContact O-CA 3.41Å; D42-G47 PolarHBondContact O-N 2.8Å; D42-W49 HydrophobicContact CB-CB 4.22Å; D42-W49 WeakPolarHBondContact OD1-CA 3.38Å; D42-W49 VanDerWaalsContact OD1-CB 3.29Å; D42-W49 WeakPolarHBondContact OD1-CB 3.24Å; D42-R194 IonicContact OD1-NH2 3.89Å; D42-R194 IonicContact OD2-CZ 3.34Å; D42-R194 IonicContact OD2-NH1 3.87Å; D42-R194 IonicContact OD2-NH2 2.81Å; D42-R194 PolarHBondContact OD2-NH2 2.92Å
43	L	87.6	Confident	75.7	Confident	106 Å²	106	75.2 Å²	75.2	56%	0.555	41%	0.405	S	S	*	.	H	α-helix	trans	-63.6	-40.4	173.4	-69	172.1	0	0	0	111.8	V38 S39 E40 S41 H45 G46 G89	V38-L43 HydrophobicContact CB-CD2 4.24Å; V38-L43 HydrophobicContact CB-CG 4.25Å; V38-L43 HydrophobicContact CG1-CD2 3.69Å; V38-L43 HydrophobicContact CG1-CG 3.68Å; S39-L43 PolarHBondContact O-N 3.34Å; E40-L43 PolarHBondContact O-N 3.23Å; S41-L43 PolarHBondContact O-N 3.37Å; L43-H45 PolarHBondContact O-N 3.09Å; L43-G46 PolarHBondContact O-N 3.23Å; L43-G89 WeakPolarHBondContact O-CA 3.42Å
44	A	89.7	Confident	77.6	Confident	26 Å²	26	74.2 Å²	74.2	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-66.2	-18	177.8	0	0	0	0	0	113.4	E40 S41 H69 G89	E40-A44 WeakPolarHBondContact O-CB 3.36Å; E40-A44 PolarHBondContact O-N 2.94Å; S41-A44 WeakPolarHBondContact O-CA 3.49Å; S41-A44 WeakPolarHBondContact O-CB 3.11Å; S41-A44 PolarHBondContact O-N 2.83Å; A44-H69 PolarHBondContact O-CE1 3.18Å; A44-H69 VanDerWaalsContact O-CE1 3.23Å; A44-H69 PolarHBondContact O-ND1 3.02Å; A44-G89 PolarHBondContact O-N 2.83Å
45	H	91.3	Very high	79.7	Confident	9 Å²	9	65.4 Å²	65.4	4%	0.042	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	28.1	175.4	-66.6	-93.5	0	0	0	112.3	S41 D42 L43 G47 W48 E65 H69 Y71 E90 R189	S41-H45 PolarHBondContact O-CD2 2.97Å; S41-H45 PolarHBondContact O-N 3.32Å; D42-H45 PolarHBondContact O-N 3.03Å; L43-H45 PolarHBondContact O-N 3.09Å; H45-G47 VanDerWaalsContact C-N 3.28Å; H45-G47 PolarHBondContact O-N 3.49Å; H45-W48 HydrophobicContact CB-CB 4.32Å; H45-W48 WeakPolarHBondContact O-CB 3.45Å; H45-W48 VanDerWaalsContact O-CD1 3.26Å; H45-W48 PolarHBondContact O-N 3.46Å; H45-W48 VanDerWaalsContact O-N 3.15Å; H45-E65 IonicContact CE1-OE1 3.6Å; H45-E65 IonicContact CE1-OE2 3.05Å; H45-E65 PolarHBondContact CE1-OE2 2.77Å; H45-E65 IonicContact ND1-OE2 2.67Å; H45-E65 PolarHBondContact ND1-OE2 3.4Å; H45-E65 VanDerWaalsContact ND1-OE2 3.11Å; H45-H69 AromaticContact CD2-CE1 3.93Å; H45-H69 AromaticContact CE1-CE1 3.44Å; H45-H69 PolarHBondContact CE1-CE1 3.48Å; H45-H69 VanDerWaalsContact CE1-CE1 3.44Å; H45-H69 AromaticContact CE1-CG 3.83Å; H45-H69 AromaticContact CE1-ND1 3.29Å; H45-H69 PolarHBondContact CE1-ND1 3.28Å; H45-H69 VanDerWaalsContact CE1-ND1 3.29Å; H45-H69 AromaticContact ND1-ND1 3.64Å; H45-H69 AromaticContact NE2-CE1 3.39Å; H45-H69 PolarHBondContact NE2-CE1 3.22Å; H45-H69 AromaticContact NE2-ND1 3.75Å; H45-H69 AromaticContact NE2-NE2 3.95Å; H45-Y71 AromaticContact ND1-CZ 3.92Å; H45-Y71 PolarHBondContact ND1-OH 2.82Å; H45-E90 CarbonylContact C-O 3.53Å; H45-R189 PolarHBondContact CD2-NE 3.36Å; H45-R189 PolarHBondContact CD2-NH2 2.9Å; H45-R189 PolarHBondContact CE1-NH2 2.73Å; H45-R189 VanDerWaalsContact ND1-CZ 3.26Å; H45-R189 PolarHBondContact ND1-NE 3.32Å; H45-R189 VanDerWaalsContact ND1-NE 3.18Å; H45-R189 PolarHBondContact ND1-NH2 3.12Å; H45-R189 PolarHBondContact NE2-NH2 3.38Å
46	G	88.8	Confident	81.7	Confident	37 Å²	37	57.9 Å²	57.9	38%	0.381	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	26.6	176.3	0	0	0	0	0	114.3	L43 G89	L43-G46 PolarHBondContact O-N 3.23Å; G46-G89 WeakPolarHBondContact CA-O 3.25Å
47	G	89.1	Confident	83.2	Confident	35 Å²	35	62.6 Å²	62.6	36%	0.361	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-1.9	-176.8	0	0	0	0	0	114.4	D42 H45	D42-G47 VanDerWaalsContact O-CA 3.23Å; D42-G47 WeakPolarHBondContact O-CA 3.41Å; D42-G47 PolarHBondContact O-N 2.8Å; H45-G47 VanDerWaalsContact C-N 3.28Å; H45-G47 PolarHBondContact O-N 3.49Å
48	W	92.9	Very high	84.8	Confident	18 Å²	18	55.3 Å²	55.3	7%	0.068	31%	0.31	C	S	.	.			trans	-76.5	123.5	173.3	-69.1	71.4	0	0	0	110	H45 A63 P92 I97 R189 S190 N191	H45-W48 HydrophobicContact CB-CB 4.32Å; H45-W48 WeakPolarHBondContact O-CB 3.45Å; H45-W48 VanDerWaalsContact O-CD1 3.26Å; H45-W48 PolarHBondContact O-N 3.46Å; H45-W48 VanDerWaalsContact O-N 3.15Å; W48-A63 HydrophobicContact CE3-CB 4.33Å; W48-A63 HydrophobicContact CZ3-CB 4.26Å; W48-P92 HydrophobicContact CD2-CG 3.69Å; W48-P92 VanDerWaalsContact CE2-CG 3.41Å; W48-P92 HydrophobicContact CE3-CG 4.11Å; W48-P92 HydrophobicContact CG-CG 4.21Å; W48-P92 HydrophobicContact CH2-CG 4.05Å; W48-P92 HydrophobicContact CZ2-CG 3.6Å; W48-P92 HydrophobicContact CZ3-CG 4.28Å; W48-I97 HydrophobicContact CH2-CB 4.49Å; W48-I97 HydrophobicContact CH2-CD1 3.98Å; W48-I97 HydrophobicContact CH2-CG1 3.79Å; W48-I97 HydrophobicContact CH2-CG2 3.95Å; W48-I97 HydrophobicContact CZ2-CD1 3.66Å; W48-I97 HydrophobicContact CZ2-CG1 3.89Å; W48-R189 HydrophobicContact CB-CB 4.08Å; W48-R189 HydrophobicContact CE3-CB 4.44Å; W48-S190 CarbonylContact C-O 3.52Å; W48-S190 WeakPolarHBondContact CA-O 3.44Å; W48-S190 VanDerWaalsContact CE3-C 3.47Å; W48-N191 HydrophobicContact CD2-CB 3.84Å; W48-N191 HydrophobicContact CE3-CB 4.02Å; W48-N191 HydrophobicContact CG-CB 4.41Å; W48-N191 HydrophobicContact CH2-CB 4.11Å; W48-N191 HydrophobicContact CZ2-CB 3.95Å; W48-N191 HydrophobicContact CZ3-CB 4.14Å
49	W	89.9	Confident	86.1	Confident	27 Å²	27	55.3 Å²	55.3	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	157.4	-173.3	55.2	-89.9	0	0	0	111.8	D42 F51 T55 R189 S190 A192 R194	D42-W49 HydrophobicContact CB-CB 4.22Å; D42-W49 WeakPolarHBondContact OD1-CA 3.38Å; D42-W49 VanDerWaalsContact OD1-CB 3.29Å; D42-W49 WeakPolarHBondContact OD1-CB 3.24Å; W49-F51 PolarHBondContact O-N 3.21Å; W49-T55 HydrophobicContact CH2-CG2 3.56Å; W49-T55 WeakPolarHBondContact CH2-OG1 3.25Å; W49-T55 HydrophobicContact CZ2-CG2 4.29Å; W49-T55 HydrophobicContact CZ3-CG2 4.21Å; W49-T55 WeakPolarHBondContact CZ3-OG1 3.48Å; W49-R189 CarbonylContact O-C 3.47Å; W49-R189 VanDerWaalsContact O-CA 3.22Å; W49-R189 WeakPolarHBondContact O-CA 3.47Å; W49-S190 PolarHBondContact N-O 3.17Å; W49-S190 PolarHBondContact NE1-O 3.42Å; W49-S190 PolarHBondContact O-N 3.35Å; W49-A192 HydrophobicContact CZ2-CB 4.12Å; W49-A192 WeakPolarHBondContact CZ2-O 2.93Å; W49-A192 PolarHBondContact NE1-O 3.13Å; W49-R194 HydrophobicContact CD2-CG 4Å; W49-R194 HydrophobicContact CG-CG 4.42Å; W49-R194 HydrophobicContact CH2-CG 4.35Å; W49-R194 HydrophobicContact CZ2-CG 3.8Å
50	S	88.4	Confident	86.9	Confident	26 Å²	26	53.7 Å²	53.7	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	126.8	-173.5	-59.7	0	0	0	0	111.3	T52	S50-T52 PolarHBondContact O-N 3.5Å
51	F	88.6	Confident	87.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.278	C	S	.	.			trans	-66.1	129.1	-179.6	-162.9	-96.3	0	0	0	110.7	W49 T55 V56 V62 F100 L142 M153 M188	W49-F51 PolarHBondContact O-N 3.21Å; F51-T55 HydrophobicContact CD2-CG2 3.54Å; F51-T55 HydrophobicContact CE2-CG2 3.37Å; F51-T55 HydrophobicContact CG-CG2 4.32Å; F51-T55 HydrophobicContact CZ-CG2 4.03Å; F51-V56 HydrophobicContact CD1-CG2 4.13Å; F51-V56 HydrophobicContact CE1-CB 4.12Å; F51-V56 HydrophobicContact CE1-CG2 3.43Å; F51-V56 VanDerWaalsContact CE1-CG2 3.43Å; F51-V56 HydrophobicContact CZ-CG2 4.31Å; F51-V62 HydrophobicContact CD2-CG1 3.85Å; F51-V62 HydrophobicContact CE2-CG1 3.63Å; F51-F100 HydrophobicContact CE1-CE1 4.44Å; F51-F100 HydrophobicContact CE1-CE2 4.32Å; F51-F100 HydrophobicContact CE1-CZ 4.13Å; F51-F100 HydrophobicContact CE2-CD1 4.49Å; F51-F100 AromaticContact CZ-CD1 3.9Å; F51-F100 HydrophobicContact CZ-CD1 3.9Å; F51-F100 HydrophobicContact CZ-CD2 4.23Å; F51-F100 AromaticContact CZ-CE1 3.76Å; F51-F100 HydrophobicContact CZ-CE1 3.76Å; F51-F100 HydrophobicContact CZ-CE2 4.11Å; F51-F100 HydrophobicContact CZ-CG 4.12Å; F51-F100 AromaticContact CZ-CZ 3.86Å; F51-F100 HydrophobicContact CZ-CZ 3.86Å; F51-L142 HydrophobicContact CE1-CD2 4.34Å; F51-M153 HydrophobicContact CB-CE 4.06Å; F51-M153 HydrophobicContact CD1-CE 4.2Å; F51-M188 HydrophobicContact CB-CB 3.71Å; F51-M188 HydrophobicContact CB-CG 3.83Å; F51-M188 WeakPolarHBondContact CB-O 3.22Å; F51-M188 HydrophobicContact CB-SD 4.29Å; F51-M188 HydrophobicContact CD1-CG 4.41Å; F51-M188 HydrophobicContact CD1-SD 3.75Å; F51-M188 HydrophobicContact CD2-CG 4.08Å; F51-M188 HydrophobicContact CD2-SD 3.8Å; F51-M188 HydrophobicContact CE1-SD 3.85Å; F51-M188 HydrophobicContact CE2-SD 3.93Å; F51-M188 HydrophobicContact CG-CB 4.18Å; F51-M188 HydrophobicContact CG-CG 3.9Å; F51-M188 HydrophobicContact CG-SD 3.71Å; F51-M188 HydrophobicContact CZ-SD 3.97Å; F51-M188 PolarHBondContact N-O 3.06Å
52	T	84.8	Confident	88.2	Confident	61 Å²	61	45.4 Å²	45.4	37%	0.374	26%	0.262	S	S	.	.			trans	-115.8	166.7	-177.6	60.9	0	0	0	0	111.5	S50 E54 T55 V56	S50-T52 PolarHBondContact O-N 3.5Å; T52-E54 PolarHBondContact O-N 2.91Å; T52-E54 VanDerWaalsContact O-N 3.13Å; T52-T55 PolarHBondContact N-OG1 3.36Å; T52-T55 WeakPolarHBondContact O-CA 3.21Å; T52-T55 WeakPolarHBondContact O-CB 3.05Å; T52-T55 PolarHBondContact O-N 3.14Å; T52-T55 PolarHBondContact O-OG1 3.39Å; T52-T55 PolarHBondContact OG1-OG1 3.16Å; T52-V56 PolarHBondContact O-N 3.34Å
53	E	81.5	Confident	88.7	Confident	137 Å²	137	44.9 Å²	44.9	64%	0.64	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.4	174	-64.6	-173.9	175.5	0	0	113.5	T55 V56 F144	E53-T55 VanDerWaalsContact C-N 3.34Å; E53-V56 WeakPolarHBondContact O-CB 3.28Å; E53-F144 HydrophobicContact CG-CD1 4.46Å; E53-F144 HydrophobicContact CG-CD2 4.27Å; E53-F144 HydrophobicContact CG-CE1 4.37Å; E53-F144 HydrophobicContact CG-CE2 4.18Å; E53-F144 HydrophobicContact CG-CG 4.42Å; E53-F144 HydrophobicContact CG-CZ 4.23Å
54	E	79.4	Confident	89.1	Confident	95 Å²	95	39.9 Å²	39.9	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.7	175.2	-63.4	-174.7	162.7	0	0	112.2	T52 K57 P197	T52-E54 PolarHBondContact O-N 2.91Å; T52-E54 VanDerWaalsContact O-N 3.13Å; E54-K57 WeakPolarHBondContact O-CB 3.26Å; E54-K57 PolarHBondContact O-N 2.83Å; E54-P197 WeakPolarHBondContact OE1-CG 3.21Å; E54-P197 WeakPolarHBondContact OE2-CD 3.14Å; E54-P197 WeakPolarHBondContact OE2-CG 3.32Å
55	T	81.8	Confident	89.3	Confident	10 Å²	10	39.4 Å²	39.4	6%	0.061	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-73.1	-31.4	-178.8	-41.8	0	0	0	0	111.7	W49 F51 T52 E53 K57 S58	W49-T55 HydrophobicContact CH2-CG2 3.56Å; W49-T55 WeakPolarHBondContact CH2-OG1 3.25Å; W49-T55 HydrophobicContact CZ2-CG2 4.29Å; W49-T55 HydrophobicContact CZ3-CG2 4.21Å; W49-T55 WeakPolarHBondContact CZ3-OG1 3.48Å; F51-T55 HydrophobicContact CD2-CG2 3.54Å; F51-T55 HydrophobicContact CE2-CG2 3.37Å; F51-T55 HydrophobicContact CG-CG2 4.32Å; F51-T55 HydrophobicContact CZ-CG2 4.03Å; T52-T55 PolarHBondContact N-OG1 3.36Å; T52-T55 WeakPolarHBondContact O-CA 3.21Å; T52-T55 WeakPolarHBondContact O-CB 3.05Å; T52-T55 PolarHBondContact O-N 3.14Å; T52-T55 PolarHBondContact O-OG1 3.39Å; T52-T55 PolarHBondContact OG1-OG1 3.16Å; E53-T55 VanDerWaalsContact C-N 3.34Å; T55-K57 PolarHBondContact O-N 2.85Å; T55-S58 PolarHBondContact O-N 3.26Å; T55-S58 VanDerWaalsContact O-N 3.17Å; T55-S58 PolarHBondContact O-OG 3.24Å
56	V	84.4	Confident	89.5	Confident	17 Å²	17	39.6 Å²	39.6	10%	0.103	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-52.2	-29.3	175.6	179.6	0	0	0	0	112.1	F51 T52 E53 S58 F100 R102 L142 F144	F51-V56 HydrophobicContact CD1-CG2 4.13Å; F51-V56 HydrophobicContact CE1-CB 4.12Å; F51-V56 HydrophobicContact CE1-CG2 3.43Å; F51-V56 VanDerWaalsContact CE1-CG2 3.43Å; F51-V56 HydrophobicContact CZ-CG2 4.31Å; T52-V56 PolarHBondContact O-N 3.34Å; E53-V56 WeakPolarHBondContact O-CB 3.28Å; V56-S58 PolarHBondContact O-N 3.3Å; V56-F100 HydrophobicContact CG1-CZ 4.18Å; V56-R102 WeakPolarHBondContact O-CB 3.05Å; V56-R102 VanDerWaalsContact O-CG 3.26Å; V56-R102 WeakPolarHBondContact O-CG 3.27Å; V56-L142 HydrophobicContact CG2-CD2 4.01Å; V56-F144 HydrophobicContact CG2-CE2 3.81Å; V56-F144 HydrophobicContact CG2-CZ 3.44Å; V56-F144 VanDerWaalsContact CG2-CZ 3.44Å
57	K	83.1	Confident	89.6	Confident	167 Å²	167	41.8 Å²	41.8	73%	0.726	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-68.3	-17	-174.4	-62	176.4	-176.5	171.2	0	113.5	E54 T55	E54-K57 WeakPolarHBondContact O-CB 3.26Å; E54-K57 PolarHBondContact O-N 2.83Å; T55-K57 PolarHBondContact O-N 2.85Å
58	S	86.2	Confident	89.7	Confident	46 Å²	46	44.9 Å²	44.9	32%	0.322	24%	0.244	S	C	.	.	S	Bend	trans	-129.3	140.8	-177.8	54.2	0	0	0	0	111.9	T55 V56 C60	T55-S58 PolarHBondContact O-N 3.26Å; T55-S58 VanDerWaalsContact O-N 3.17Å; T55-S58 PolarHBondContact O-OG 3.24Å; V56-S58 PolarHBondContact O-N 3.3Å; S58-C60 PolarHBondContact O-N 3.01Å
59	S	91.7	Very high	89.7	Confident	67 Å²	67	45.7 Å²	45.7	47%	0.469	25%	0.248	S	C	.	.			trans	-65.4	132.1	169.7	-57.1	0	0	0	0	110.4	F100 R102	S59-F100 CarbonylContact C-O 3.37Å; S59-F100 WeakPolarHBondContact CA-O 3.08Å; S59-F100 WeakPolarHBondContact CB-O 3.35Å; S59-R102 PolarHBondContact OG-N 3.2Å
60	C	94	Very high	90	Very high	16 Å²	16	44.8 Å²	44.8	11%	0.108	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	173.1	-178.4	59	0	0	0	0	111.8	S58 F100 A192	S58-C60 PolarHBondContact O-N 3.01Å; C60-F100 PolarHBondContact N-O 2.68Å; C60-F100 VanDerWaalsContact N-O 3.11Å; C60-F100 WeakPolarHBondContact O-CB 3.17Å; C60-F100 PolarHBondContact O-N 2.93Å; C60-A192 HydrophobicContact CB-CB 3.74Å
61	S	95.6	Very high	90.4	Very high	43 Å²	43	43.5 Å²	43.5	30%	0.301	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.5	173.8	-42.9	0	0	0	0	109.7	F98 S190 N191	S61-F98 CarbonylContact C-O 3.46Å; S61-F98 WeakPolarHBondContact CA-O 3.39Å; S61-S190 PolarHBondContact O-OG 2.77Å; S61-S190 VanDerWaalsContact O-OG 3.06Å; S61-N191 WeakPolarHBondContact CB-OD1 3.4Å
62	V	96.3	Very high	90.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.4	-178	-59.5	0	0	0	0	111.3	F51 F98 F100 L111 M188 R189	F51-V62 HydrophobicContact CD2-CG1 3.85Å; F51-V62 HydrophobicContact CE2-CG1 3.63Å; V62-F98 HydrophobicContact CG2-CB 4.02Å; V62-F98 PolarHBondContact N-O 2.91Å; V62-F98 PolarHBondContact O-N 3.4Å; V62-F100 HydrophobicContact CB-CB 4.32Å; V62-F100 HydrophobicContact CG1-CB 3.57Å; V62-F100 HydrophobicContact CG1-CG 4.31Å; V62-F100 HydrophobicContact CG2-CB 3.75Å; V62-L111 HydrophobicContact CG2-CD2 3.99Å; V62-M188 HydrophobicContact CB-CG 3.77Å; V62-M188 HydrophobicContact CB-SD 3.93Å; V62-M188 HydrophobicContact CG1-CG 4.03Å; V62-M188 HydrophobicContact CG1-SD 3.77Å; V62-M188 HydrophobicContact CG2-CG 4.31Å; V62-M188 HydrophobicContact CG2-SD 4.09Å; V62-R189 CarbonylContact C-O 3.39Å; V62-R189 WeakPolarHBondContact CA-O 3.37Å; V62-R189 WeakPolarHBondContact CB-O 3.22Å
63	A	96.7	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.5	167.5	0	0	0	0	0	109.2	W48 Y71 P92 M188 R189	W48-A63 HydrophobicContact CE3-CB 4.33Å; W48-A63 HydrophobicContact CZ3-CB 4.26Å; A63-Y71 HydrophobicContact CB-CD1 3.87Å; A63-Y71 HydrophobicContact CB-CE1 4.26Å; A63-Y71 HydrophobicContact CB-CG 4.46Å; A63-P92 HydrophobicContact CB-CB 3.78Å; A63-P92 HydrophobicContact CB-CG 3.66Å; A63-M188 CarbonylContact O-C 3.51Å; A63-M188 WeakPolarHBondContact O-CA 3.33Å; A63-R189 PolarHBondContact N-O 3.4Å; A63-R189 PolarHBondContact O-N 3.02Å
64	L	96.3	Very high	92.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	103.2	-178.7	-52.5	-178.6	0	0	0	108.8	Y71 V72 F98 L111 L155 I186 M188	L64-Y71 CarbonylContact O-C 3.45Å; L64-Y71 VanDerWaalsContact O-CA 3.25Å; L64-Y71 WeakPolarHBondContact O-CA 3.28Å; L64-V72 HydrophobicContact CB-CB 4.06Å; L64-V72 HydrophobicContact CB-CG2 3.72Å; L64-V72 HydrophobicContact CD1-CB 4.43Å; L64-V72 HydrophobicContact CD1-CG2 4.26Å; L64-V72 PolarHBondContact O-N 3.26Å; L64-F98 HydrophobicContact CG-CD2 4.24Å; L64-F98 HydrophobicContact CG-CE2 4.35Å; L64-L111 HydrophobicContact CD1-CD1 4.23Å; L64-L155 HydrophobicContact CD1-CD1 4.06Å; L64-L155 HydrophobicContact CD2-CD1 4.38Å; L64-I186 HydrophobicContact CB-CD1 4.25Å; L64-I186 HydrophobicContact CD1-CD1 4.45Å; L64-I186 HydrophobicContact CD2-CD1 3.94Å; L64-I186 HydrophobicContact CG-CD1 4.43Å; L64-M188 HydrophobicContact CD2-CB 4.46Å; L64-M188 HydrophobicContact CD2-CE 3.65Å; L64-M188 HydrophobicContact CD2-CG 4.15Å
65	E	95.4	Very high	92.8	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128.6	175.5	-174.3	167.1	106.7	0	0	110.8	H45 M67 H69 T70 Y71 I186 V187 R189	H45-E65 IonicContact CE1-OE1 3.6Å; H45-E65 IonicContact CE1-OE2 3.05Å; H45-E65 PolarHBondContact CE1-OE2 2.77Å; H45-E65 IonicContact ND1-OE2 2.67Å; H45-E65 PolarHBondContact ND1-OE2 3.4Å; H45-E65 VanDerWaalsContact ND1-OE2 3.11Å; E65-M67 WeakPolarHBondContact CG-O 2.96Å; E65-H69 PolarHBondContact OE2-N 3.05Å; E65-T70 WeakPolarHBondContact CA-O 3.36Å; E65-Y71 HydrophobicContact CB-CD1 3.89Å; E65-Y71 HydrophobicContact CB-CE1 3.89Å; E65-Y71 HydrophobicContact CG-CD1 4.44Å; E65-Y71 HydrophobicContact CG-CE1 4.31Å; E65-Y71 WeakPolarHBondContact OE2-CE1 3.14Å; E65-I186 CarbonylContact O-C 3.47Å; E65-I186 WeakPolarHBondContact O-CA 3.31Å; E65-I186 WeakPolarHBondContact O-CB 3.45Å; E65-V187 WeakPolarHBondContact CA-O 3.27Å; E65-V187 HydrophobicContact CB-CB 4.34Å; E65-V187 VanDerWaalsContact CB-O 3.29Å; E65-V187 WeakPolarHBondContact CB-O 3.43Å; E65-V187 PolarHBondContact N-O 2.84Å; E65-V187 PolarHBondContact O-N 3.14Å; E65-R189 VanDerWaalsContact CD-CZ 3.5Å; E65-R189 IonicContact OE1-CZ 3.13Å; E65-R189 IonicContact OE1-NH1 2.6Å; E65-R189 PolarHBondContact OE1-NH1 3.31Å; E65-R189 IonicContact OE1-NH2 3.43Å; E65-R189 PolarHBondContact OE1-NH2 2.86Å; E65-R189 IonicContact OE2-CZ 2.73Å; E65-R189 IonicContact OE2-NE 3.19Å; E65-R189 IonicContact OE2-NH1 3.04Å; E65-R189 PolarHBondContact OE2-NH1 3.27Å; E65-R189 IonicContact OE2-NH2 3.92Å; E65-R189 PolarHBondContact OE2-NH2 3.49Å
66	T	93.6	Very high	93.3	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.08	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-35	-178.7	55.1	0	0	0	0	111.9	T70 V72 L82 F163 Y165 I186	T66-T70 PolarHBondContact N-O 3.01Å; T66-T70 PolarHBondContact OG1-O 3.11Å; T66-V72 HydrophobicContact CG2-CG2 3.82Å; T66-L82 HydrophobicContact CG2-CD2 3.82Å; T66-L82 WeakPolarHBondContact OG1-CD2 3.3Å; T66-F163 HydrophobicContact CG2-CE1 4.47Å; T66-Y165 HydrophobicContact CG2-CD1 3.78Å; T66-Y165 HydrophobicContact CG2-CG 3.74Å; T66-I186 HydrophobicContact CG2-CG2 4Å
67	M	91.8	Very high	93.7	Very high	83 Å²	83	42.8 Å²	42.8	41%	0.409	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163.9	173.8	-70.1	177.6	-78.9	0	0	108.6	E65 H69 T70 L82	E65-M67 WeakPolarHBondContact CG-O 2.96Å; M67-H69 PolarHBondContact O-N 2.84Å; M67-T70 HydrophobicContact CE-CG2 4.09Å; M67-T70 PolarHBondContact O-N 2.86Å; M67-L82 HydrophobicContact CE-CD1 3.59Å
68	P	91.1	Very high	94.2	Very high	101 Å²	101	35.4 Å²	35.4	66%	0.656	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	120.3	-179.6	-28.3	35.8	0	0	0	112.2	T70	P68-T70 PolarHBondContact O-N 3.3Å; P68-T70 PolarHBondContact O-OG1 3.29Å
69	H	92.9	Very high	94.7	Very high	35 Å²	35	35.6 Å²	35.6	16%	0.162	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	19.8	-178	-52.7	-83.3	0	0	0	115.3	A44 H45 E65 M67 P85 H86	A44-H69 PolarHBondContact O-CE1 3.18Å; A44-H69 VanDerWaalsContact O-CE1 3.23Å; A44-H69 PolarHBondContact O-ND1 3.02Å; H45-H69 AromaticContact CD2-CE1 3.93Å; H45-H69 AromaticContact CE1-CE1 3.44Å; H45-H69 PolarHBondContact CE1-CE1 3.48Å; H45-H69 VanDerWaalsContact CE1-CE1 3.44Å; H45-H69 AromaticContact CE1-CG 3.83Å; H45-H69 AromaticContact CE1-ND1 3.29Å; H45-H69 PolarHBondContact CE1-ND1 3.28Å; H45-H69 VanDerWaalsContact CE1-ND1 3.29Å; H45-H69 AromaticContact ND1-ND1 3.64Å; H45-H69 AromaticContact NE2-CE1 3.39Å; H45-H69 PolarHBondContact NE2-CE1 3.22Å; H45-H69 AromaticContact NE2-ND1 3.75Å; H45-H69 AromaticContact NE2-NE2 3.95Å; E65-H69 PolarHBondContact OE2-N 3.05Å; M67-H69 PolarHBondContact O-N 2.84Å; H69-P85 WeakPolarHBondContact O-CA 3.46Å; H69-H86 HydrophobicContact CB-CB 4.25Å; H69-H86 WeakPolarHBondContact CB-O 3.34Å; H69-H86 PolarHBondContact O-CD2 2.74Å; H69-H86 PolarHBondContact O-N 2.65Å
70	T	95.8	Very high	94.9	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.8	-179.4	-54.2	0	0	0	0	110.2	E65 T66 M67 P68 L82 G83	E65-T70 WeakPolarHBondContact CA-O 3.36Å; T66-T70 PolarHBondContact N-O 3.01Å; T66-T70 PolarHBondContact OG1-O 3.11Å; M67-T70 HydrophobicContact CE-CG2 4.09Å; M67-T70 PolarHBondContact O-N 2.86Å; P68-T70 PolarHBondContact O-N 3.3Å; P68-T70 PolarHBondContact O-OG1 3.29Å; T70-L82 HydrophobicContact CG2-CB 4.22Å; T70-G83 WeakPolarHBondContact CG2-O 3.45Å
71	Y	96.9	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	158.4	-174.4	-52.6	-78.2	0	0	0	112.2	H45 A63 L64 E65 M73 G83 H86 P92	H45-Y71 AromaticContact ND1-CZ 3.92Å; H45-Y71 PolarHBondContact ND1-OH 2.82Å; A63-Y71 HydrophobicContact CB-CD1 3.87Å; A63-Y71 HydrophobicContact CB-CE1 4.26Å; A63-Y71 HydrophobicContact CB-CG 4.46Å; L64-Y71 CarbonylContact O-C 3.45Å; L64-Y71 VanDerWaalsContact O-CA 3.25Å; L64-Y71 WeakPolarHBondContact O-CA 3.28Å; E65-Y71 HydrophobicContact CB-CD1 3.89Å; E65-Y71 HydrophobicContact CB-CE1 3.89Å; E65-Y71 HydrophobicContact CG-CD1 4.44Å; E65-Y71 HydrophobicContact CG-CE1 4.31Å; E65-Y71 WeakPolarHBondContact OE2-CE1 3.14Å; Y71-M73 PolarHBondContact O-N 3.2Å; Y71-G83 PolarHBondContact O-N 2.69Å; Y71-H86 AromaticContact CD2-CD2 3.71Å; Y71-H86 AromaticContact CD2-NE2 3.86Å; Y71-H86 AromaticContact CE2-CD2 3.88Å; Y71-P92 HydrophobicContact CD2-CB 3.97Å; Y71-P92 HydrophobicContact CE2-CB 4.17Å; Y71-P92 HydrophobicContact CG-CB 4.16Å
72	V	97.2	Very high	95.1	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127.9	169.9	177.6	0	0	0	0	109.3	L64 T66 F80 L82 E96 F98 F163 L173	L64-V72 HydrophobicContact CB-CB 4.06Å; L64-V72 HydrophobicContact CB-CG2 3.72Å; L64-V72 HydrophobicContact CD1-CB 4.43Å; L64-V72 HydrophobicContact CD1-CG2 4.26Å; L64-V72 PolarHBondContact O-N 3.26Å; T66-V72 HydrophobicContact CG2-CG2 3.82Å; V72-F80 HydrophobicContact CG1-CB 4.01Å; V72-F80 HydrophobicContact CG1-CD1 4.01Å; V72-F80 HydrophobicContact CG1-CG 4.28Å; V72-L82 HydrophobicContact CG2-CD2 4.31Å; V72-E96 VanDerWaalsContact O-CA 3.25Å; V72-E96 WeakPolarHBondContact O-CA 3.07Å; V72-E96 WeakPolarHBondContact O-CB 3.23Å; V72-F98 HydrophobicContact CB-CE2 4.2Å; V72-F98 HydrophobicContact CB-CZ 4.31Å; V72-F98 HydrophobicContact CG1-CE2 4.33Å; V72-F98 HydrophobicContact CG1-CZ 3.94Å; V72-F98 WeakPolarHBondContact O-CE2 3.02Å; V72-F163 HydrophobicContact CG1-CZ 4.47Å; V72-F163 HydrophobicContact CG2-CE1 4.2Å; V72-F163 HydrophobicContact CG2-CZ 3.68Å; V72-L173 HydrophobicContact CB-CD1 4.34Å; V72-L173 HydrophobicContact CG1-CD1 3.65Å; V72-L173 HydrophobicContact CG2-CD1 3.92Å
73	M	96.5	Very high	95	Very high	42 Å²	42	33.4 Å²	33.4	21%	0.207	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.4	-178.7	-173	175.2	68.7	0	0	110.7	Y71 L75 F80 T81 E95 E96	Y71-M73 PolarHBondContact O-N 3.2Å; M73-L75 HydrophobicContact CE-CD2 3.96Å; M73-F80 WeakPolarHBondContact O-CA 3.03Å; M73-T81 HydrophobicContact CB-CG2 4.46Å; M73-T81 HydrophobicContact CE-CG2 3.59Å; M73-T81 PolarHBondContact N-O 2.89Å; M73-T81 PolarHBondContact O-N 3.27Å; M73-E95 HydrophobicContact CG-CB 3.96Å; M73-E96 HydrophobicContact CB-CG 3.93Å; M73-E96 HydrophobicContact CG-CG 4.13Å
74	A	96.6	Very high	94.9	Very high	2 Å²	2	37 Å²	37	2%	0.017	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.6	173.6	0	0	0	0	0	111.1	F80 E95 Y115	A74-F80 HydrophobicContact CB-CD1 4.03Å; A74-F80 HydrophobicContact CB-CE1 3.55Å; A74-E95 WeakPolarHBondContact CB-O 3.32Å; A74-E95 PolarHBondContact N-O 2.84Å; A74-Y115 HydrophobicContact CB-CD2 3.87Å; A74-Y115 HydrophobicContact CB-CE2 3.77Å
75	L	95.5	Very high	94.8	Very high	37 Å²	37	41.5 Å²	41.5	19%	0.194	24%	0.243	C	C	.	.			trans	-105.9	155.2	174.6	-61.2	175.3	0	0	0	111.1	M73 N77 G78 K79 T81 Y172	M73-L75 HydrophobicContact CE-CD2 3.96Å; L75-N77 VanDerWaalsContact CB-OD1 3.26Å; L75-N77 WeakPolarHBondContact CB-OD1 3.43Å; L75-N77 PolarHBondContact O-N 3.12Å; L75-G78 PolarHBondContact O-N 2.73Å; L75-K79 WeakPolarHBondContact CB-O 3.42Å; L75-K79 PolarHBondContact N-O 2.66Å; L75-T81 HydrophobicContact CD1-CG2 4.03Å; L75-T81 HydrophobicContact CD2-CG2 3.97Å; L75-T81 HydrophobicContact CG-CG2 4.1Å; L75-Y172 HydrophobicContact CD1-CD1 4.09Å; L75-Y172 HydrophobicContact CD1-CE1 3.56Å
76	D	92.4	Very high	94.8	Very high	144 Å²	144	42.2 Å²	42.2	77%	0.77	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.2	178.3	64.1	-15.2	0	0	0	113.6	G78	D76-G78 PolarHBondContact O-N 3.49Å
77	N	93.1	Very high	94.8	Very high	78 Å²	78	44.8 Å²	44.8	42%	0.417	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	0.2	173	70.8	7.1	0	0	0	113.6	L75 K79 Y172	L75-N77 VanDerWaalsContact CB-OD1 3.26Å; L75-N77 WeakPolarHBondContact CB-OD1 3.43Å; L75-N77 PolarHBondContact O-N 3.12Å; N77-K79 VanDerWaalsContact C-N 3.31Å; N77-K79 PolarHBondContact O-N 2.93Å; N77-K79 VanDerWaalsContact OD1-CB 3.28Å; N77-K79 WeakPolarHBondContact OD1-CB 3.39Å; N77-K79 PolarHBondContact OD1-N 2.81Å; N77-Y172 PolarHBondContact ND2-OH 2.85Å
78	G	93.7	Very high	94.8	Very high	12 Å²	12	45.7 Å²	45.7	12%	0.124	28%	0.277	C	S	.	.	S	Bend	trans	79.6	4.9	-179.9	0	0	0	0	0	114.5	L75 D76 V128 A129	L75-G78 PolarHBondContact O-N 2.73Å; D76-G78 PolarHBondContact O-N 3.49Å; G78-V128 CarbonylContact O-C 3.59Å; G78-V128 WeakPolarHBondContact O-CA 3.42Å; G78-A129 PolarHBondContact O-N 3.34Å
79	K	95.7	Very high	94.8	Very high	51 Å²	51	43 Å²	43	22%	0.222	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-90.9	176.5	170.5	-60.9	-171.8	176.6	-174	0	110.9	L75 N77 V128 Y172	L75-K79 WeakPolarHBondContact CB-O 3.42Å; L75-K79 PolarHBondContact N-O 2.66Å; N77-K79 VanDerWaalsContact C-N 3.31Å; N77-K79 PolarHBondContact O-N 2.93Å; N77-K79 VanDerWaalsContact OD1-CB 3.28Å; N77-K79 WeakPolarHBondContact OD1-CB 3.39Å; N77-K79 PolarHBondContact OD1-N 2.81Å; K79-V128 HydrophobicContact CG-CG1 4.33Å; K79-Y172 HydrophobicContact CB-CD1 3.89Å; K79-Y172 HydrophobicContact CB-CE1 4.21Å; K79-Y172 HydrophobicContact CB-CG 4.39Å; K79-Y172 HydrophobicContact CD-CD1 3.7Å; K79-Y172 HydrophobicContact CD-CD2 3.5Å; K79-Y172 VanDerWaalsContact CD-CD2 3.5Å; K79-Y172 HydrophobicContact CD-CE1 3.88Å; K79-Y172 HydrophobicContact CD-CE2 3.58Å; K79-Y172 HydrophobicContact CD-CG 3.53Å; K79-Y172 HydrophobicContact CG-CD1 4.48Å
80	F	96.9	Very high	94.8	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.2	176.4	-63.2	-80.2	0	0	0	110.8	V72 M73 A74 F98 L119 V127 A129 Y172 L173	V72-F80 HydrophobicContact CG1-CB 4.01Å; V72-F80 HydrophobicContact CG1-CD1 4.01Å; V72-F80 HydrophobicContact CG1-CG 4.28Å; M73-F80 WeakPolarHBondContact O-CA 3.03Å; A74-F80 HydrophobicContact CB-CD1 4.03Å; A74-F80 HydrophobicContact CB-CE1 3.55Å; F80-F98 HydrophobicContact CD1-CE1 4.11Å; F80-F98 HydrophobicContact CD1-CZ 4.11Å; F80-F98 AromaticContact CE1-CE1 3.55Å; F80-F98 HydrophobicContact CE1-CE1 3.55Å; F80-F98 HydrophobicContact CE1-CZ 4.01Å; F80-F98 HydrophobicContact CZ-CE1 4.33Å; F80-L119 HydrophobicContact CE1-CD1 3.9Å; F80-L119 HydrophobicContact CE1-CG 4.35Å; F80-L119 HydrophobicContact CE2-CD1 3.89Å; F80-L119 HydrophobicContact CE2-CD2 4.32Å; F80-L119 HydrophobicContact CE2-CG 3.65Å; F80-L119 HydrophobicContact CZ-CD1 3.26Å; F80-L119 HydrophobicContact CZ-CD2 4.26Å; F80-L119 HydrophobicContact CZ-CG 3.58Å; F80-V127 HydrophobicContact CD2-CB 4.14Å; F80-V127 HydrophobicContact CD2-CG1 3.66Å; F80-V127 WeakPolarHBondContact CD2-O 3.32Å; F80-V127 HydrophobicContact CE2-CG1 4.08Å; F80-A129 HydrophobicContact CE2-CB 3.79Å; F80-A129 HydrophobicContact CZ-CB 3.49Å; F80-A129 VanDerWaalsContact CZ-CB 3.49Å; F80-Y172 WeakPolarHBondContact O-CA 3.26Å; F80-L173 HydrophobicContact CB-CB 4.29Å; F80-L173 HydrophobicContact CB-CD1 4Å; F80-L173 HydrophobicContact CB-CG 4.07Å; F80-L173 PolarHBondContact O-N 3.39Å
81	T	96.1	Very high	94.7	Very high	29 Å²	29	46.8 Å²	46.8	18%	0.178	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-176.8	171.3	-166.2	0	0	0	0	109.7	M73 L75 G171	M73-T81 HydrophobicContact CB-CG2 4.46Å; M73-T81 HydrophobicContact CE-CG2 3.59Å; M73-T81 PolarHBondContact N-O 2.89Å; M73-T81 PolarHBondContact O-N 3.27Å; L75-T81 HydrophobicContact CD1-CG2 4.03Å; L75-T81 HydrophobicContact CD2-CG2 3.97Å; L75-T81 HydrophobicContact CG-CG2 4.1Å; T81-G171 WeakPolarHBondContact CB-O 3.36Å; T81-G171 PolarHBondContact OG1-O 2.8Å
82	L	96.1	Very high	94.6	Very high	41 Å²	41	47.3 Å²	47.3	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.6	172.8	-60.5	-173.8	0	0	0	110.2	T66 M67 T70 V72 Y165 L173	T66-L82 HydrophobicContact CG2-CD2 3.82Å; T66-L82 WeakPolarHBondContact OG1-CD2 3.3Å; M67-L82 HydrophobicContact CE-CD1 3.59Å; T70-L82 HydrophobicContact CG2-CB 4.22Å; V72-L82 HydrophobicContact CG2-CD2 4.31Å; L82-Y165 HydrophobicContact CD1-CD2 4.26Å; L82-L173 HydrophobicContact CD2-CD1 4.11Å; L82-L173 HydrophobicContact CD2-CD2 4.2Å; L82-L173 HydrophobicContact CG-CD2 4.2Å
83	G	94.5	Very high	94.6	Very high	7 Å²	7	49.7 Å²	49.7	7%	0.072	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-65.6	168.7	171	0	0	0	0	0	111.9	T70 Y71	T70-G83 WeakPolarHBondContact CG2-O 3.45Å; Y71-G83 PolarHBondContact O-N 2.69Å
84	A	94.4	Very high	94.5	Very high	75 Å²	75	52.9 Å²	52.9	62%	0.62	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-68.6	148	168.7	0	0	0	0	0	109.9	H86	A84-H86 PolarHBondContact O-CD2 3.02Å; A84-H86 VanDerWaalsContact O-CD2 3.25Å; A84-H86 PolarHBondContact O-N 3.47Å
85	P	95	Very high	94.4	Very high	96 Å²	96	57.1 Å²	57.1	62%	0.623	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-58.6	128.8	172.5	-21.7	31.6	0	0	0	111.2	H69	H69-P85 WeakPolarHBondContact O-CA 3.46Å
86	H	95.1	Very high	94.5	Very high	30 Å²	30	55.6 Å²	55.6	14%	0.139	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-80.6	157.4	178.4	-72	-112.1	0	0	0	111.9	H69 Y71 A84 E90 G91 S93 E96	H69-H86 HydrophobicContact CB-CB 4.25Å; H69-H86 WeakPolarHBondContact CB-O 3.34Å; H69-H86 PolarHBondContact O-CD2 2.74Å; H69-H86 PolarHBondContact O-N 2.65Å; Y71-H86 AromaticContact CD2-CD2 3.71Å; Y71-H86 AromaticContact CD2-NE2 3.86Å; Y71-H86 AromaticContact CE2-CD2 3.88Å; A84-H86 PolarHBondContact O-CD2 3.02Å; A84-H86 VanDerWaalsContact O-CD2 3.25Å; A84-H86 PolarHBondContact O-N 3.47Å; H86-E90 HydrophobicContact CB-CB 4.28Å; H86-G91 PolarHBondContact CE1-O 3.06Å; H86-G91 PolarHBondContact ND1-O 3.25Å; H86-S93 PolarHBondContact CE1-OG 3.01Å; H86-E96 IonicContact CD2-OE1 3.66Å; H86-E96 IonicContact CD2-OE2 3.69Å; H86-E96 IonicContact CE1-OE2 3.11Å; H86-E96 PolarHBondContact CE1-OE2 3.17Å; H86-E96 VanDerWaalsContact NE2-CD 3.28Å; H86-E96 IonicContact NE2-OE1 3.69Å; H86-E96 PolarHBondContact NE2-OE1 2.69Å; H86-E96 IonicContact NE2-OE2 2.94Å; H86-E96 PolarHBondContact NE2-OE2 3.42Å
87	S	93.6	Very high	94.7	Very high	68 Å²	68	50.9 Å²	50.9	48%	0.476	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-73.8	147.3	173.3	-54	0	0	0	0	110.6	G89 E90	S87-G89 PolarHBondContact O-N 3.15Å; S87-E90 WeakPolarHBondContact CB-OE2 3.49Å; S87-E90 PolarHBondContact N-OE2 3.47Å; S87-E90 VanDerWaalsContact N-OE2 3.15Å; S87-E90 WeakPolarHBondContact O-CB 3.23Å; S87-E90 PolarHBondContact O-N 2.92Å; S87-E90 PolarHBondContact OG-OE2 3.37Å
88	P	91.6	Very high	94.9	Very high	102 Å²	102	47.2 Å²	47.2	66%	0.662	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	125.8	173	-24.8	34	0	0	0	111.5
89	G	91.1	Very high	95	Very high	43 Å²	43	49.6 Å²	49.6	44%	0.443	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.5	-14.2	-174.2	0	0	0	0	0	113.9	L43 A44 G46 S87	L43-G89 WeakPolarHBondContact O-CA 3.42Å; A44-G89 PolarHBondContact O-N 2.83Å; G46-G89 WeakPolarHBondContact CA-O 3.25Å; S87-G89 PolarHBondContact O-N 3.15Å
90	E	93.6	Very high	95.1	Very high	101 Å²	101	47.2 Å²	47.2	47%	0.472	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-91	139.2	174	-62.6	179.8	152.1	0	0	110.3	H45 H86 S87	H45-E90 CarbonylContact C-O 3.53Å; H86-E90 HydrophobicContact CB-CB 4.28Å; S87-E90 WeakPolarHBondContact CB-OE2 3.49Å; S87-E90 PolarHBondContact N-OE2 3.47Å; S87-E90 VanDerWaalsContact N-OE2 3.15Å; S87-E90 WeakPolarHBondContact O-CB 3.23Å; S87-E90 PolarHBondContact O-N 2.92Å; S87-E90 PolarHBondContact OG-OE2 3.37Å
91	G	93	Very high	95	Very high	22 Å²	22	48.8 Å²	48.8	23%	0.227	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-92.3	173.3	172.1	0	0	0	0	0	111.3	H86	H86-G91 PolarHBondContact CE1-O 3.06Å; H86-G91 PolarHBondContact ND1-O 3.25Å
92	P	96.1	Very high	94.9	Very high	11 Å²	11	51 Å²	51	7%	0.071	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-54.3	142.7	174.6	26.3	-38.4	0	0	0	112.4	W48 A63 Y71 E96 I97	W48-P92 HydrophobicContact CD2-CG 3.69Å; W48-P92 VanDerWaalsContact CE2-CG 3.41Å; W48-P92 HydrophobicContact CE3-CG 4.11Å; W48-P92 HydrophobicContact CG-CG 4.21Å; W48-P92 HydrophobicContact CH2-CG 4.05Å; W48-P92 HydrophobicContact CZ2-CG 3.6Å; W48-P92 HydrophobicContact CZ3-CG 4.28Å; A63-P92 HydrophobicContact CB-CB 3.78Å; A63-P92 HydrophobicContact CB-CG 3.66Å; Y71-P92 HydrophobicContact CD2-CB 3.97Å; Y71-P92 HydrophobicContact CE2-CB 4.17Å; Y71-P92 HydrophobicContact CG-CB 4.16Å; P92-E96 WeakPolarHBondContact CA-OE2 3.46Å; P92-E96 HydrophobicContact CB-CB 3.93Å; P92-I97 HydrophobicContact CB-CG1 4.05Å; P92-I97 HydrophobicContact CG-CD1 4.4Å; P92-I97 HydrophobicContact CG-CG1 3.92Å
93	S	95.5	Very high	94.7	Very high	51 Å²	51	50.6 Å²	50.6	36%	0.357	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-66	158.4	171	-69.7	0	0	0	0	111	H86 E95 E96 I97	H86-S93 PolarHBondContact CE1-OG 3.01Å; S93-E95 PolarHBondContact O-N 3.32Å; S93-E95 VanDerWaalsContact O-N 3.08Å; S93-E96 WeakPolarHBondContact CB-OE2 3.27Å; S93-E96 PolarHBondContact N-OE2 2.91Å; S93-E96 WeakPolarHBondContact O-CA 3.13Å; S93-E96 WeakPolarHBondContact O-CB 3.24Å; S93-E96 PolarHBondContact O-N 3.17Å; S93-I97 WeakPolarHBondContact O-CG1 3.49Å; S93-I97 PolarHBondContact O-N 3.44Å
94	P	94.6	Very high	94.4	Very high	109 Å²	109	56.8 Å²	56.8	71%	0.708	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-53.7	-32.1	178.2	-28	36	0	0	0	114.9	E96 I97	P94-E96 VanDerWaalsContact C-N 3.27Å; P94-E96 PolarHBondContact O-N 3.19Å; P94-I97 PolarHBondContact O-N 3.05Å
95	E	95.2	Very high	94.1	Very high	91 Å²	91	60.8 Å²	60.8	43%	0.425	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-75.5	-14.5	178.1	-63.6	174.4	-173	0	0	113.2	M73 A74 S93	M73-E95 HydrophobicContact CG-CB 3.96Å; A74-E95 WeakPolarHBondContact CB-O 3.32Å; A74-E95 PolarHBondContact N-O 2.84Å; S93-E95 PolarHBondContact O-N 3.32Å; S93-E95 VanDerWaalsContact O-N 3.08Å
96	E	97	Very high	93.9	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.019	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-101.8	-2.2	179.2	-60.3	168.7	148.6	0	0	112.6	V72 M73 H86 P92 S93 P94 F98	V72-E96 VanDerWaalsContact O-CA 3.25Å; V72-E96 WeakPolarHBondContact O-CA 3.07Å; V72-E96 WeakPolarHBondContact O-CB 3.23Å; M73-E96 HydrophobicContact CB-CG 3.93Å; M73-E96 HydrophobicContact CG-CG 4.13Å; H86-E96 IonicContact CD2-OE1 3.66Å; H86-E96 IonicContact CD2-OE2 3.69Å; H86-E96 IonicContact CE1-OE2 3.11Å; H86-E96 PolarHBondContact CE1-OE2 3.17Å; H86-E96 VanDerWaalsContact NE2-CD 3.28Å; H86-E96 IonicContact NE2-OE1 3.69Å; H86-E96 PolarHBondContact NE2-OE1 2.69Å; H86-E96 IonicContact NE2-OE2 2.94Å; H86-E96 PolarHBondContact NE2-OE2 3.42Å; P92-E96 WeakPolarHBondContact CA-OE2 3.46Å; P92-E96 HydrophobicContact CB-CB 3.93Å; S93-E96 WeakPolarHBondContact CB-OE2 3.27Å; S93-E96 PolarHBondContact N-OE2 2.91Å; S93-E96 WeakPolarHBondContact O-CA 3.13Å; S93-E96 WeakPolarHBondContact O-CB 3.24Å; S93-E96 PolarHBondContact O-N 3.17Å; P94-E96 VanDerWaalsContact C-N 3.27Å; P94-E96 PolarHBondContact O-N 3.19Å; E96-F98 WeakPolarHBondContact O-CD2 3.28Å; E96-F98 WeakPolarHBondContact O-CE2 3.38Å
97	I	97.1	Very high	93.6	Very high	46 Å²	46	60 Å²	60	24%	0.236	36%	0.36	C	S	.	.			trans	-94.7	129.6	179.5	-63.5	168.8	0	0	0	109.6	W48 P92 S93 P94	W48-I97 HydrophobicContact CH2-CB 4.49Å; W48-I97 HydrophobicContact CH2-CD1 3.98Å; W48-I97 HydrophobicContact CH2-CG1 3.79Å; W48-I97 HydrophobicContact CH2-CG2 3.95Å; W48-I97 HydrophobicContact CZ2-CD1 3.66Å; W48-I97 HydrophobicContact CZ2-CG1 3.89Å; P92-I97 HydrophobicContact CB-CG1 4.05Å; P92-I97 HydrophobicContact CG-CD1 4.4Å; P92-I97 HydrophobicContact CG-CG1 3.92Å; S93-I97 WeakPolarHBondContact O-CG1 3.49Å; S93-I97 PolarHBondContact O-N 3.44Å; P94-I97 PolarHBondContact O-N 3.05Å
98	F	97.2	Very high	93.7	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	157.2	176.5	-56.5	-86.3	0	0	0	110.3	S61 V62 L64 V72 F80 E96 K112 L119	S61-F98 CarbonylContact C-O 3.46Å; S61-F98 WeakPolarHBondContact CA-O 3.39Å; V62-F98 HydrophobicContact CG2-CB 4.02Å; V62-F98 PolarHBondContact N-O 2.91Å; V62-F98 PolarHBondContact O-N 3.4Å; L64-F98 HydrophobicContact CG-CD2 4.24Å; L64-F98 HydrophobicContact CG-CE2 4.35Å; V72-F98 HydrophobicContact CB-CE2 4.2Å; V72-F98 HydrophobicContact CB-CZ 4.31Å; V72-F98 HydrophobicContact CG1-CE2 4.33Å; V72-F98 HydrophobicContact CG1-CZ 3.94Å; V72-F98 WeakPolarHBondContact O-CE2 3.02Å; F80-F98 HydrophobicContact CD1-CE1 4.11Å; F80-F98 HydrophobicContact CD1-CZ 4.11Å; F80-F98 AromaticContact CE1-CE1 3.55Å; F80-F98 HydrophobicContact CE1-CE1 3.55Å; F80-F98 HydrophobicContact CE1-CZ 4.01Å; F80-F98 HydrophobicContact CZ-CE1 4.33Å; E96-F98 WeakPolarHBondContact O-CD2 3.28Å; E96-F98 WeakPolarHBondContact O-CE2 3.38Å; F98-K112 CarbonylContact C-O 3.6Å; F98-K112 WeakPolarHBondContact CA-O 3.48Å; F98-L119 HydrophobicContact CD1-CD1 3.83Å; F98-L119 HydrophobicContact CD1-CD2 4.49Å; F98-L119 HydrophobicContact CE1-CD1 3.84Å; F98-L119 HydrophobicContact CE1-CD2 4.34Å
99	V	96.8	Very high	93.9	Very high	62 Å²	62	54.5 Å²	54.5	38%	0.376	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.7	165.1	-174.4	0	0	0	0	108.1	I101 L111 K112	V99-I101 HydrophobicContact CG1-CG1 4.05Å; V99-L111 WeakPolarHBondContact O-CA 3.46Å; V99-K112 HydrophobicContact CB-CB 4.14Å; V99-K112 PolarHBondContact N-O 2.83Å; V99-K112 PolarHBondContact O-N 3.13Å
100	F	96.5	Very high	94.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.8	168.5	-177.4	-92.5	0	0	0	109.8	F51 V56 S59 C60 V62 R102 I109 L111 M188	F51-F100 HydrophobicContact CE1-CE1 4.44Å; F51-F100 HydrophobicContact CE1-CE2 4.32Å; F51-F100 HydrophobicContact CE1-CZ 4.13Å; F51-F100 HydrophobicContact CE2-CD1 4.49Å; F51-F100 AromaticContact CZ-CD1 3.9Å; F51-F100 HydrophobicContact CZ-CD1 3.9Å; F51-F100 HydrophobicContact CZ-CD2 4.23Å; F51-F100 AromaticContact CZ-CE1 3.76Å; F51-F100 HydrophobicContact CZ-CE1 3.76Å; F51-F100 HydrophobicContact CZ-CE2 4.11Å; F51-F100 HydrophobicContact CZ-CG 4.12Å; F51-F100 AromaticContact CZ-CZ 3.86Å; F51-F100 HydrophobicContact CZ-CZ 3.86Å; V56-F100 HydrophobicContact CG1-CZ 4.18Å; S59-F100 CarbonylContact C-O 3.37Å; S59-F100 WeakPolarHBondContact CA-O 3.08Å; S59-F100 WeakPolarHBondContact CB-O 3.35Å; C60-F100 PolarHBondContact N-O 2.68Å; C60-F100 VanDerWaalsContact N-O 3.11Å; C60-F100 WeakPolarHBondContact O-CB 3.17Å; C60-F100 PolarHBondContact O-N 2.93Å; V62-F100 HydrophobicContact CB-CB 4.32Å; V62-F100 HydrophobicContact CG1-CB 3.57Å; V62-F100 HydrophobicContact CG1-CG 4.31Å; V62-F100 HydrophobicContact CG2-CB 3.75Å; F100-R102 HydrophobicContact CE1-CB 3.9Å; F100-I109 HydrophobicContact CD2-CD1 4.26Å; F100-I109 HydrophobicContact CE1-CG2 4.42Å; F100-I109 HydrophobicContact CE2-CB 3.92Å; F100-I109 HydrophobicContact CE2-CD1 3.88Å; F100-I109 HydrophobicContact CE2-CG1 3.96Å; F100-I109 HydrophobicContact CE2-CG2 3.97Å; F100-I109 HydrophobicContact CZ-CB 4Å; F100-I109 HydrophobicContact CZ-CG1 4.45Å; F100-I109 HydrophobicContact CZ-CG2 3.58Å; F100-L111 HydrophobicContact CB-CD2 4.3Å; F100-L111 HydrophobicContact CD2-CD2 3.93Å; F100-M188 HydrophobicContact CD2-CE 4.08Å; F100-M188 HydrophobicContact CD2-SD 3.91Å; F100-M188 HydrophobicContact CE2-CE 4.25Å; F100-M188 HydrophobicContact CE2-SD 4.24Å
101	I	95.7	Very high	94.3	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.185	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.2	-177.7	-59.1	167.8	0	0	0	108.1	V99 I109 A110 K112 Y118 I134	V99-I101 HydrophobicContact CG1-CG1 4.05Å; I101-I109 WeakPolarHBondContact O-CA 3.48Å; I101-A110 HydrophobicContact CB-CB 4.29Å; I101-A110 PolarHBondContact N-O 3.12Å; I101-A110 PolarHBondContact O-N 3.05Å; I101-K112 HydrophobicContact CD1-CB 4.19Å; I101-Y118 HydrophobicContact CD1-CD1 4.36Å; I101-Y118 HydrophobicContact CD1-CE1 3.62Å; I101-I134 HydrophobicContact CG2-CD1 4.45Å
102	R	93.4	Very high	94.5	Very high	76 Å²	76	48.2 Å²	48.2	29%	0.287	27%	0.268	S	S	.	.			trans	-105.2	106.9	171.7	-176.9	69.3	-178.4	-174.8	2	109.7	V56 S59 F100 A106 P107	V56-R102 WeakPolarHBondContact O-CB 3.05Å; V56-R102 VanDerWaalsContact O-CG 3.26Å; V56-R102 WeakPolarHBondContact O-CG 3.27Å; S59-R102 PolarHBondContact OG-N 3.2Å; F100-R102 HydrophobicContact CE1-CB 3.9Å; R102-A106 PolarHBondContact NH2-O 2.97Å; R102-P107 PolarHBondContact NH1-O 3.22Å
103	P	92.3	Very high	94.5	Very high	31 Å²	31	48 Å²	48	20%	0.201	27%	0.267	C	S	.	.			trans	-66.3	142.4	167.9	-7	21.2	0	0	0	110.2	D105 A106 W108	P103-D105 VanDerWaalsContact C-N 3.33Å; P103-D105 PolarHBondContact O-N 3.47Å; P103-A106 HydrophobicContact CB-CB 3.7Å; P103-A106 HydrophobicContact CG-CB 3.79Å; P103-W108 HydrophobicContact CB-CH2 4.25Å; P103-W108 HydrophobicContact CB-CZ3 4.5Å; P103-W108 WeakPolarHBondContact CD-O 3.24Å; P103-W108 HydrophobicContact CG-CD2 4.27Å; P103-W108 HydrophobicContact CG-CE3 3.7Å; P103-W108 HydrophobicContact CG-CH2 3.36Å; P103-W108 HydrophobicContact CG-CZ2 3.96Å; P103-W108 HydrophobicContact CG-CZ3 3.21Å
104	V	88.1	Confident	94.4	Very high	138 Å²	138	48.3 Å²	48.3	84%	0.836	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-38.8	-175.2	-179.1	0	0	0	0	112
105	D	88.1	Confident	94.3	Very high	159 Å²	159	48 Å²	48	85%	0.85	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	27.9	-172.4	-57.1	-48.2	0	0	0	113.2	P103	P103-D105 VanDerWaalsContact C-N 3.33Å; P103-D105 PolarHBondContact O-N 3.47Å
106	A	89.7	Confident	94.3	Very high	11 Å²	11	48.5 Å²	48.5	9%	0.091	27%	0.269	C	S	.	.			trans	-127.8	142	-178.4	0	0	0	0	0	112.6	R102 P103 W108	R102-A106 PolarHBondContact NH2-O 2.97Å; P103-A106 HydrophobicContact CB-CB 3.7Å; P103-A106 HydrophobicContact CG-CB 3.79Å; A106-W108 VanDerWaalsContact C-N 3.27Å; A106-W108 HydrophobicContact CB-CD2 3.85Å; A106-W108 VanDerWaalsContact CB-CE2 3.5Å; A106-W108 HydrophobicContact CB-CG 4.05Å; A106-W108 HydrophobicContact CB-CZ2 3.94Å
107	P	90.1	Very high	94.3	Very high	97 Å²	97	51.1 Å²	51.1	63%	0.63	28%	0.28	S	S	*	.	S	Bend	trans	-72.9	-25.1	170.8	30.2	-33.8	0	0	0	112	R102	R102-P107 PolarHBondContact NH1-O 3.22Å
108	W	94.2	Very high	94.3	Very high	55 Å²	55	50.8 Å²	50.8	21%	0.208	28%	0.276	C	S	.	.			trans	-86.4	162	-177.5	55.1	-98.2	0	0	0	112.7	P103 A106 A110 I134 R139 W140	P103-W108 HydrophobicContact CB-CH2 4.25Å; P103-W108 HydrophobicContact CB-CZ3 4.5Å; P103-W108 WeakPolarHBondContact CD-O 3.24Å; P103-W108 HydrophobicContact CG-CD2 4.27Å; P103-W108 HydrophobicContact CG-CE3 3.7Å; P103-W108 HydrophobicContact CG-CH2 3.36Å; P103-W108 HydrophobicContact CG-CZ2 3.96Å; P103-W108 HydrophobicContact CG-CZ3 3.21Å; A106-W108 VanDerWaalsContact C-N 3.27Å; A106-W108 HydrophobicContact CB-CD2 3.85Å; A106-W108 VanDerWaalsContact CB-CE2 3.5Å; A106-W108 HydrophobicContact CB-CG 4.05Å; A106-W108 HydrophobicContact CB-CZ2 3.94Å; W108-A110 HydrophobicContact CZ3-CB 4.32Å; W108-I134 HydrophobicContact CH2-CG2 4Å; W108-I134 HydrophobicContact CZ3-CG2 3.77Å; W108-R139 HydrophobicContact CB-CB 4.11Å; W108-R139 HydrophobicContact CB-CG 4.49Å; W108-R139 HydrophobicContact CD2-CB 4.25Å; W108-R139 HydrophobicContact CD2-CG 3.68Å; W108-R139 HydrophobicContact CE3-CB 4.41Å; W108-R139 HydrophobicContact CE3-CG 3.83Å; W108-R139 HydrophobicContact CG-CB 4.12Å; W108-R139 HydrophobicContact CG-CG 3.97Å; W108-R139 HydrophobicContact CZ3-CG 4.33Å; W108-W140 CarbonylContact C-O 3.57Å; W108-W140 VanDerWaalsContact CA-O 3.26Å; W108-W140 WeakPolarHBondContact CA-O 3.4Å; W108-W140 WeakPolarHBondContact CB-O 3.47Å
109	I	96	Very high	94.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-120.1	162.5	173.3	65.7	92.9	0	0	0	109.1	F100 I101 L111 W140 L155	F100-I109 HydrophobicContact CD2-CD1 4.26Å; F100-I109 HydrophobicContact CE1-CG2 4.42Å; F100-I109 HydrophobicContact CE2-CB 3.92Å; F100-I109 HydrophobicContact CE2-CD1 3.88Å; F100-I109 HydrophobicContact CE2-CG1 3.96Å; F100-I109 HydrophobicContact CE2-CG2 3.97Å; F100-I109 HydrophobicContact CZ-CB 4Å; F100-I109 HydrophobicContact CZ-CG1 4.45Å; F100-I109 HydrophobicContact CZ-CG2 3.58Å; I101-I109 WeakPolarHBondContact O-CA 3.48Å; I109-L111 HydrophobicContact CD1-CD1 4.47Å; I109-L111 HydrophobicContact CD1-CD2 4.36Å; I109-L111 HydrophobicContact CD1-CG 3.95Å; I109-W140 HydrophobicContact CD1-CB 3.78Å; I109-W140 HydrophobicContact CG1-CB 4.08Å; I109-W140 PolarHBondContact N-O 2.94Å; I109-W140 PolarHBondContact O-N 3.49Å; I109-L155 HydrophobicContact CD1-CD2 4.3Å
110	A	96.8	Very high	94.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151.4	169.1	0	0	0	0	0	109.7	I101 W108 I134	I101-A110 HydrophobicContact CB-CB 4.29Å; I101-A110 PolarHBondContact N-O 3.12Å; I101-A110 PolarHBondContact O-N 3.05Å; W108-A110 HydrophobicContact CZ3-CB 4.32Å; A110-I134 HydrophobicContact CB-CD1 3.61Å; A110-I134 HydrophobicContact CB-CG1 3.9Å; A110-I134 HydrophobicContact CB-CG2 4.05Å
111	L	97.3	Very high	94.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.9	174.4	-67.7	171	0	0	0	108.6	V62 L64 V99 F100 I109 Y118 L119 L155	V62-L111 HydrophobicContact CG2-CD2 3.99Å; L64-L111 HydrophobicContact CD1-CD1 4.23Å; V99-L111 WeakPolarHBondContact O-CA 3.46Å; F100-L111 HydrophobicContact CB-CD2 4.3Å; F100-L111 HydrophobicContact CD2-CD2 3.93Å; I109-L111 HydrophobicContact CD1-CD1 4.47Å; I109-L111 HydrophobicContact CD1-CD2 4.36Å; I109-L111 HydrophobicContact CD1-CG 3.95Å; L111-Y118 WeakPolarHBondContact O-CA 3.34Å; L111-L119 HydrophobicContact CB-CB 4.03Å; L111-L119 HydrophobicContact CB-CD1 4.37Å; L111-L119 HydrophobicContact CB-CD2 4.06Å; L111-L119 HydrophobicContact CB-CG 4.39Å; L111-L119 HydrophobicContact CD1-CD2 4.02Å; L111-L119 PolarHBondContact O-N 2.9Å; L111-L155 HydrophobicContact CD1-CD1 3.97Å
112	K	97	Very high	94.3	Very high	34 Å²	34	48.6 Å²	48.6	15%	0.148	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.5	175.8	-168.5	176.4	-179.5	-179.8	0	109.4	F98 V99 I101 D116 K117 Y118	F98-K112 CarbonylContact C-O 3.6Å; F98-K112 WeakPolarHBondContact CA-O 3.48Å; V99-K112 HydrophobicContact CB-CB 4.14Å; V99-K112 PolarHBondContact N-O 2.83Å; V99-K112 PolarHBondContact O-N 3.13Å; I101-K112 HydrophobicContact CD1-CB 4.19Å; K112-D116 VanDerWaalsContact CE-C 3.41Å; K112-D116 VanDerWaalsContact CE-CA 3.47Å; K112-D116 WeakPolarHBondContact CE-O 3.41Å; K112-D116 WeakPolarHBondContact CE-OD1 3.46Å; K112-D116 IonicContact NZ-OD1 2.62Å; K112-D116 PolarHBondContact NZ-OD1 2.81Å; K112-D116 IonicContact NZ-OD2 3.26Å; K112-D116 PolarHBondContact NZ-OD2 2.81Å; K112-D116 VanDerWaalsContact NZ-OD2 3.13Å; K112-K117 CarbonylContact C-O 3.41Å; K112-K117 WeakPolarHBondContact CA-O 3.29Å; K112-Y118 HydrophobicContact CB-CD1 4.15Å; K112-Y118 HydrophobicContact CB-CE1 4.22Å; K112-Y118 HydrophobicContact CD-CE1 4.01Å; K112-Y118 HydrophobicContact CG-CD1 4.31Å; K112-Y118 HydrophobicContact CG-CE1 4.26Å
113	S	96.3	Very high	94.3	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.042	29%	0.286	C	S	.	.			trans	-70.8	164.6	176.8	63.9	0	0	0	0	112.2	Y115 D116 K117	S113-Y115 PolarHBondContact O-N 2.64Å; S113-Y115 VanDerWaalsContact O-N 3.13Å; S113-Y115 PolarHBondContact OG-N 3.19Å; S113-D116 PolarHBondContact O-N 3.25Å; S113-D116 VanDerWaalsContact O-N 3.13Å; S113-K117 PolarHBondContact N-O 3.01Å; S113-K117 PolarHBondContact OG-N 3.2Å; S113-K117 PolarHBondContact OG-O 3.22Å
114	G	92.4	Very high	94.3	Very high	57 Å²	57	57.2 Å²	57.2	59%	0.588	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.2	170.5	0	0	0	0	0	114.8	D116	G114-D116 VanDerWaalsContact C-N 3.26Å; G114-D116 PolarHBondContact O-N 2.99Å
115	Y	93.5	Very high	94.6	Very high	103 Å²	103	50.9 Å²	50.9	40%	0.404	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	13.8	176.2	-64.4	-78.2	0	0	0	114.1	A74 S113 K117	A74-Y115 HydrophobicContact CB-CD2 3.87Å; A74-Y115 HydrophobicContact CB-CE2 3.77Å; S113-Y115 PolarHBondContact O-N 2.64Å; S113-Y115 VanDerWaalsContact O-N 3.13Å; S113-Y115 PolarHBondContact OG-N 3.19Å; Y115-K117 PolarHBondContact O-N 3.36Å
116	D	94.4	Very high	95	Very high	102 Å²	102	45.6 Å²	45.6	55%	0.545	24%	0.24	S	C	.	.	S	Bend	trans	66.1	17.1	-179	-145.9	58.8	0	0	0	115	K112 S113 G114	K112-D116 VanDerWaalsContact CE-C 3.41Å; K112-D116 VanDerWaalsContact CE-CA 3.47Å; K112-D116 WeakPolarHBondContact CE-O 3.41Å; K112-D116 WeakPolarHBondContact CE-OD1 3.46Å; K112-D116 IonicContact NZ-OD1 2.62Å; K112-D116 PolarHBondContact NZ-OD1 2.81Å; K112-D116 IonicContact NZ-OD2 3.26Å; K112-D116 PolarHBondContact NZ-OD2 2.81Å; K112-D116 VanDerWaalsContact NZ-OD2 3.13Å; S113-D116 PolarHBondContact O-N 3.25Å; S113-D116 VanDerWaalsContact O-N 3.13Å; G114-D116 VanDerWaalsContact C-N 3.26Å; G114-D116 PolarHBondContact O-N 2.99Å
117	K	97	Very high	95.3	Very high	58 Å²	58	45.1 Å²	45.1	25%	0.252	24%	0.236	S	C	.	.			trans	-107.9	146.1	179.3	-58	-59.7	-174.9	176.1	0	112.4	K112 S113 Y115 A129 D132	K112-K117 CarbonylContact C-O 3.41Å; K112-K117 WeakPolarHBondContact CA-O 3.29Å; S113-K117 PolarHBondContact N-O 3.01Å; S113-K117 PolarHBondContact OG-N 3.2Å; S113-K117 PolarHBondContact OG-O 3.22Å; Y115-K117 PolarHBondContact O-N 3.36Å; K117-A129 HydrophobicContact CB-CB 3.79Å; K117-A129 WeakPolarHBondContact CB-O 3.41Å; K117-A129 WeakPolarHBondContact CG-O 3.25Å; K117-D132 IonicContact NZ-OD1 2.67Å; K117-D132 PolarHBondContact NZ-OD1 3.43Å; K117-D132 IonicContact NZ-OD2 3.11Å; K117-D132 PolarHBondContact NZ-OD2 3.05Å
118	Y	97.4	Very high	95.6	Very high	39 Å²	39	41.6 Å²	41.6	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.2	-179.6	-65.9	-84.5	0	0	0	111.7	I101 L111 K112 G120 A129 A131 D132 I134	I101-Y118 HydrophobicContact CD1-CD1 4.36Å; I101-Y118 HydrophobicContact CD1-CE1 3.62Å; L111-Y118 WeakPolarHBondContact O-CA 3.34Å; K112-Y118 HydrophobicContact CB-CD1 4.15Å; K112-Y118 HydrophobicContact CB-CE1 4.22Å; K112-Y118 HydrophobicContact CD-CE1 4.01Å; K112-Y118 HydrophobicContact CG-CD1 4.31Å; K112-Y118 HydrophobicContact CG-CE1 4.26Å; Y118-G120 PolarHBondContact O-N 3.08Å; Y118-A129 VanDerWaalsContact O-CA 3.28Å; Y118-A129 WeakPolarHBondContact O-CA 3.46Å; Y118-A131 WeakPolarHBondContact CD2-O 2.98Å; Y118-A131 PolarHBondContact N-O 2.67Å; Y118-D132 VanDerWaalsContact CE2-O 3.3Å; Y118-D132 WeakPolarHBondContact CE2-O 3.25Å; Y118-I134 HydrophobicContact CD1-CD1 4.08Å; Y118-I134 HydrophobicContact CD1-CG1 3.37Å; Y118-I134 HydrophobicContact CD2-CG1 4.45Å; Y118-I134 HydrophobicContact CE1-CD1 3.68Å; Y118-I134 HydrophobicContact CE1-CG1 3.35Å; Y118-I134 HydrophobicContact CE2-CG1 4.45Å; Y118-I134 HydrophobicContact CG-CG1 3.94Å
119	L	97.4	Very high	95.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	122.5	175.6	-96.6	71.1	0	0	0	110.2	F80 F98 L111 V127 A129 E138 W140	F80-L119 HydrophobicContact CE1-CD1 3.9Å; F80-L119 HydrophobicContact CE1-CG 4.35Å; F80-L119 HydrophobicContact CE2-CD1 3.89Å; F80-L119 HydrophobicContact CE2-CD2 4.32Å; F80-L119 HydrophobicContact CE2-CG 3.65Å; F80-L119 HydrophobicContact CZ-CD1 3.26Å; F80-L119 HydrophobicContact CZ-CD2 4.26Å; F80-L119 HydrophobicContact CZ-CG 3.58Å; F98-L119 HydrophobicContact CD1-CD1 3.83Å; F98-L119 HydrophobicContact CD1-CD2 4.49Å; F98-L119 HydrophobicContact CE1-CD1 3.84Å; F98-L119 HydrophobicContact CE1-CD2 4.34Å; L111-L119 HydrophobicContact CB-CB 4.03Å; L111-L119 HydrophobicContact CB-CD1 4.37Å; L111-L119 HydrophobicContact CB-CD2 4.06Å; L111-L119 HydrophobicContact CB-CG 4.39Å; L111-L119 HydrophobicContact CD1-CD2 4.02Å; L111-L119 PolarHBondContact O-N 2.9Å; L119-V127 HydrophobicContact CD2-CG1 4.31Å; L119-V127 HydrophobicContact CG-CG1 4.44Å; L119-A129 HydrophobicContact CD1-CB 4.05Å; L119-E138 WeakPolarHBondContact O-CA 3.37Å; L119-E138 WeakPolarHBondContact O-CB 3.12Å; L119-W140 PolarHBondContact O-NE1 3.5Å
120	G	97	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	-170.1	168.5	0	0	0	0	0	111.4	Y118 V127 V128 R137	Y118-G120 PolarHBondContact O-N 3.08Å; G120-V127 WeakPolarHBondContact O-CA 3.3Å; G120-V128 PolarHBondContact N-O 3.37Å; G120-V128 PolarHBondContact O-N 2.82Å; G120-V128 VanDerWaalsContact O-O 3.08Å; G120-R137 WeakPolarHBondContact CA-O 3.13Å
121	V	96.5	Very high	95.7	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.03	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.6	179	-177.2	0	0	0	0	109.6	Y126 R137 W140 A175	V121-Y126 WeakPolarHBondContact CA-O 3.22Å; V121-R137 PolarHBondContact N-O 2.97Å; V121-R137 WeakPolarHBondContact O-CD 3.26Å; V121-W140 HydrophobicContact CG2-CH2 3.5Å; V121-W140 VanDerWaalsContact CG2-CH2 3.5Å; V121-W140 HydrophobicContact CG2-CZ2 3.59Å; V121-W140 HydrophobicContact CG2-CZ3 4.47Å; V121-A175 HydrophobicContact CG1-CB 4.22Å; V121-A175 HydrophobicContact CG2-CB 3.88Å
122	N	94.7	Very high	95.6	Very high	45 Å²	45	50.9 Å²	50.9	24%	0.241	27%	0.274	C	S	.	.			trans	-80.7	177	177.6	81.7	-0.2	0	0	0	111.6	E124 G125 Y126 V128	N122-E124 PolarHBondContact O-N 3.29Å; N122-E124 WeakPolarHBondContact OD1-CA 3.34Å; N122-E124 WeakPolarHBondContact OD1-CB 3.07Å; N122-E124 PolarHBondContact OD1-N 2.75Å; N122-G125 PolarHBondContact O-N 2.98Å; N122-G125 VanDerWaalsContact O-N 3.12Å; N122-G125 PolarHBondContact OD1-N 3.04Å; N122-Y126 PolarHBondContact N-O 3.33Å; N122-Y126 PolarHBondContact OD1-N 3.18Å; N122-V128 HydrophobicContact CB-CG2 4.05Å
123	N	93.4	Very high	95.6	Very high	142 Å²	142	52.3 Å²	52.3	76%	0.759	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.8	-178.1	-69.4	-14.5	0	0	0	114	G125 R137	N123-G125 VanDerWaalsContact C-N 3.32Å; N123-R137 PolarHBondContact OD1-NH2 3.05Å
124	E	93.3	Very high	95.6	Very high	147 Å²	147	54.5 Å²	54.5	69%	0.687	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-7	178.9	-64.7	169.6	170.8	0	0	111.8	N122 Y126	N122-E124 PolarHBondContact O-N 3.29Å; N122-E124 WeakPolarHBondContact OD1-CA 3.34Å; N122-E124 WeakPolarHBondContact OD1-CB 3.07Å; N122-E124 PolarHBondContact OD1-N 2.75Å; E124-Y126 HydrophobicContact CB-CD2 3.69Å; E124-Y126 HydrophobicContact CB-CE2 3.87Å; E124-Y126 WeakPolarHBondContact OE2-CD2 3.33Å; E124-Y126 VanDerWaalsContact OE2-CE2 3.31Å; E124-Y126 WeakPolarHBondContact OE2-CE2 3.36Å
125	G	94.1	Very high	95.7	Very high	5 Å²	5	52.7 Å²	52.7	5%	0.052	29%	0.285	C	S	.	.	S	Bend	trans	92	1.8	-177.8	0	0	0	0	0	114.2	N122 N123 M174 A175	N122-G125 PolarHBondContact O-N 2.98Å; N122-G125 VanDerWaalsContact O-N 3.12Å; N122-G125 PolarHBondContact OD1-N 3.04Å; N123-G125 VanDerWaalsContact C-N 3.32Å; G125-M174 CarbonylContact O-C 3.47Å; G125-M174 VanDerWaalsContact O-CA 3.25Å; G125-M174 WeakPolarHBondContact O-CA 3.34Å; G125-A175 PolarHBondContact O-N 3.46Å
126	Y	96.2	Very high	95.8	Very high	47 Å²	47	52.3 Å²	52.3	18%	0.184	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-69.4	137.6	173.9	-66.9	-77.4	0	0	0	111.3	V121 N122 E124 V128 D168 M174	V121-Y126 WeakPolarHBondContact CA-O 3.22Å; N122-Y126 PolarHBondContact N-O 3.33Å; N122-Y126 PolarHBondContact OD1-N 3.18Å; E124-Y126 HydrophobicContact CB-CD2 3.69Å; E124-Y126 HydrophobicContact CB-CE2 3.87Å; E124-Y126 WeakPolarHBondContact OE2-CD2 3.33Å; E124-Y126 VanDerWaalsContact OE2-CE2 3.31Å; E124-Y126 WeakPolarHBondContact OE2-CE2 3.36Å; Y126-V128 PolarHBondContact O-N 2.81Å; Y126-D168 HydrophobicContact CE1-CB 4.18Å; Y126-D168 VanDerWaalsContact CE1-OD2 3.26Å; Y126-D168 WeakPolarHBondContact CE1-OD2 3.4Å; Y126-D168 PolarHBondContact OH-OD2 3.29Å; Y126-M174 HydrophobicContact CD1-CG 3.71Å; Y126-M174 HydrophobicContact CD1-SD 4.31Å; Y126-M174 HydrophobicContact CE1-CG 3.93Å; Y126-M174 HydrophobicContact CE1-SD 3.99Å; Y126-M174 HydrophobicContact CG-CG 4.44Å
127	V	96.8	Very high	95.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	122.6	169	-172.8	0	0	0	0	107.5	F80 L119 G120 W140 F163 L173 A175	F80-V127 HydrophobicContact CD2-CB 4.14Å; F80-V127 HydrophobicContact CD2-CG1 3.66Å; F80-V127 WeakPolarHBondContact CD2-O 3.32Å; F80-V127 HydrophobicContact CE2-CG1 4.08Å; L119-V127 HydrophobicContact CD2-CG1 4.31Å; L119-V127 HydrophobicContact CG-CG1 4.44Å; G120-V127 WeakPolarHBondContact O-CA 3.3Å; V127-W140 HydrophobicContact CG1-CH2 4.35Å; V127-W140 HydrophobicContact CG1-CZ2 4.17Å; V127-W140 HydrophobicContact CG2-CH2 4.21Å; V127-F163 HydrophobicContact CG1-CE2 4.44Å; V127-F163 HydrophobicContact CG2-CD2 3.86Å; V127-F163 HydrophobicContact CG2-CE2 4.12Å; V127-L173 PolarHBondContact N-O 3.11Å; V127-A175 HydrophobicContact CG2-CB 4.42Å
128	V	97	Very high	95.8	Very high	24 Å²	24	51.8 Å²	51.8	15%	0.145	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.4	-175.1	-62.9	0	0	0	0	111.3	G78 K79 G120 N122 Y126 V130	G78-V128 CarbonylContact O-C 3.59Å; G78-V128 WeakPolarHBondContact O-CA 3.42Å; K79-V128 HydrophobicContact CG-CG1 4.33Å; G120-V128 PolarHBondContact N-O 3.37Å; G120-V128 PolarHBondContact O-N 2.82Å; G120-V128 VanDerWaalsContact O-O 3.08Å; N122-V128 HydrophobicContact CB-CG2 4.05Å; Y126-V128 PolarHBondContact O-N 2.81Å; V128-V130 HydrophobicContact CB-CG2 4.34Å
129	A	96.7	Very high	95.8	Very high	5 Å²	5	54.7 Å²	54.7	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	85.8	173.4	0	0	0	0	0	110.7	G78 F80 K117 Y118 L119	G78-A129 PolarHBondContact O-N 3.34Å; F80-A129 HydrophobicContact CE2-CB 3.79Å; F80-A129 HydrophobicContact CZ-CB 3.49Å; F80-A129 VanDerWaalsContact CZ-CB 3.49Å; K117-A129 HydrophobicContact CB-CB 3.79Å; K117-A129 WeakPolarHBondContact CB-O 3.41Å; K117-A129 WeakPolarHBondContact CG-O 3.25Å; Y118-A129 VanDerWaalsContact O-CA 3.28Å; Y118-A129 WeakPolarHBondContact O-CA 3.46Å; L119-A129 HydrophobicContact CD1-CB 4.05Å
130	V	95.2	Very high	95.8	Very high	99 Å²	99	54.7 Å²	54.7	60%	0.6	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	-19.6	-179.9	-172.7	0	0	0	0	111.4	V128	V128-V130 HydrophobicContact CB-CG2 4.34Å
131	A	96.1	Very high	95.7	Very high	27 Å²	27	59.5 Å²	59.5	22%	0.223	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	138.2	-174.3	0	0	0	0	0	112.7	Y118 A133 E138	Y118-A131 WeakPolarHBondContact CD2-O 2.98Å; Y118-A131 PolarHBondContact N-O 2.67Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-E138 HydrophobicContact CB-CG 4.04Å
132	D	96.2	Very high	95.5	Very high	119 Å²	119	60.7 Å²	60.7	64%	0.636	32%	0.323	S	S	*	.	S	Bend	trans	-83.7	-7.4	172.6	-70.7	-64.9	0	0	0	113.5	K117 Y118	K117-D132 IonicContact NZ-OD1 2.67Å; K117-D132 PolarHBondContact NZ-OD1 3.43Å; K117-D132 IonicContact NZ-OD2 3.11Å; K117-D132 PolarHBondContact NZ-OD2 3.05Å; Y118-D132 VanDerWaalsContact CE2-O 3.3Å; Y118-D132 WeakPolarHBondContact CE2-O 3.25Å
133	A	95.8	Very high	95.4	Very high	64 Å²	64	61.5 Å²	61.5	53%	0.529	33%	0.33	S	S	.	.	S	Bend	trans	-144.9	157.8	-178.8	0	0	0	0	0	111.3	A131 G135	A131-A133 VanDerWaalsContact C-N 3.33Å; A133-G135 PolarHBondContact O-N 3.45Å; A133-G135 VanDerWaalsContact O-N 3.15Å
134	I	96.3	Very high	95.2	Very high	52 Å²	52	57.4 Å²	57.4	27%	0.267	31%	0.305	S	S	.	.			trans	-77.1	100.3	176.4	-55.5	166.6	0	0	0	108.8	I101 W108 A110 Y118 E138 R139	I101-I134 HydrophobicContact CG2-CD1 4.45Å; W108-I134 HydrophobicContact CH2-CG2 4Å; W108-I134 HydrophobicContact CZ3-CG2 3.77Å; A110-I134 HydrophobicContact CB-CD1 3.61Å; A110-I134 HydrophobicContact CB-CG1 3.9Å; A110-I134 HydrophobicContact CB-CG2 4.05Å; Y118-I134 HydrophobicContact CD1-CD1 4.08Å; Y118-I134 HydrophobicContact CD1-CG1 3.37Å; Y118-I134 HydrophobicContact CD2-CG1 4.45Å; Y118-I134 HydrophobicContact CE1-CD1 3.68Å; Y118-I134 HydrophobicContact CE1-CG1 3.35Å; Y118-I134 HydrophobicContact CE2-CG1 4.45Å; Y118-I134 HydrophobicContact CG-CG1 3.94Å; I134-E138 HydrophobicContact CG2-CB 4.25Å; I134-R139 HydrophobicContact CG2-CG 4.33Å
135	G	95.4	Very high	94.7	Very high	20 Å²	20	54.2 Å²	54.2	21%	0.206	29%	0.291	C	S	.	.			trans	-92.2	-173	169.2	0	0	0	0	0	112	A133 R137 E138 R139	A133-G135 PolarHBondContact O-N 3.45Å; A133-G135 VanDerWaalsContact O-N 3.15Å; G135-R137 PolarHBondContact O-N 2.82Å; G135-E138 WeakPolarHBondContact CA-OE2 3.32Å; G135-E138 PolarHBondContact N-OE2 2.9Å; G135-E138 PolarHBondContact O-N 3.29Å; G135-R139 WeakPolarHBondContact O-CG 3.47Å
136	P	95.1	Very high	93.5	Very high	95 Å²	95	62.1 Å²	62.1	62%	0.617	33%	0.332	S	S	*	.	S	Bend	trans	-59.9	-30.3	172.7	-25	35.4	0	0	0	113.6	S158	P136-S158 WeakPolarHBondContact O-CB 3.44Å
137	R	95.4	Very high	92.3	Very high	125 Å²	125	63.7 Å²	63.7	47%	0.472	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-28.9	-178.7	-77	-179.1	177.3	155.8	-1.1	113.2	G120 V121 N123 G135 R139 S158	G120-R137 WeakPolarHBondContact CA-O 3.13Å; V121-R137 PolarHBondContact N-O 2.97Å; V121-R137 WeakPolarHBondContact O-CD 3.26Å; N123-R137 PolarHBondContact OD1-NH2 3.05Å; G135-R137 PolarHBondContact O-N 2.82Å; R137-R139 VanDerWaalsContact C-N 3.3Å; R137-S158 WeakPolarHBondContact CA-OG 3.42Å; R137-S158 PolarHBondContact O-OG 3.17Å
138	E	97	Very high	90.5	Very high	23 Å²	23	70.3 Å²	70.3	11%	0.107	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	4.4	-177	-64.7	63.6	-132	0	0	113.2	L119 A131 I134 G135	L119-E138 WeakPolarHBondContact O-CA 3.37Å; L119-E138 WeakPolarHBondContact O-CB 3.12Å; A131-E138 HydrophobicContact CB-CG 4.04Å; I134-E138 HydrophobicContact CG2-CB 4.25Å; G135-E138 WeakPolarHBondContact CA-OE2 3.32Å; G135-E138 PolarHBondContact N-OE2 2.9Å; G135-E138 PolarHBondContact O-N 3.29Å
139	R	96.5	Very high	88.5	Confident	101 Å²	101	71.4 Å²	71.4	38%	0.381	40%	0.398	S	S	.	.			trans	-88.1	130.3	175.2	-65.6	173.5	-169.2	177	0.1	109.5	W108 I134 G135 R137 S158	W108-R139 HydrophobicContact CB-CB 4.11Å; W108-R139 HydrophobicContact CB-CG 4.49Å; W108-R139 HydrophobicContact CD2-CB 4.25Å; W108-R139 HydrophobicContact CD2-CG 3.68Å; W108-R139 HydrophobicContact CE3-CB 4.41Å; W108-R139 HydrophobicContact CE3-CG 3.83Å; W108-R139 HydrophobicContact CG-CB 4.12Å; W108-R139 HydrophobicContact CG-CG 3.97Å; W108-R139 HydrophobicContact CZ3-CG 4.33Å; I134-R139 HydrophobicContact CG2-CG 4.33Å; G135-R139 WeakPolarHBondContact O-CG 3.47Å; R137-R139 VanDerWaalsContact C-N 3.3Å; R139-S158 PolarHBondContact O-N 2.99Å
140	W	97.3	Very high	87	Confident	2 Å²	2	76.2 Å²	76.2	1%	0.008	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.5	175.9	-63.6	83.8	0	0	0	109.7	W108 I109 L119 V121 V127 L155 L156 S157 F163 A175	W108-W140 CarbonylContact C-O 3.57Å; W108-W140 VanDerWaalsContact CA-O 3.26Å; W108-W140 WeakPolarHBondContact CA-O 3.4Å; W108-W140 WeakPolarHBondContact CB-O 3.47Å; I109-W140 HydrophobicContact CD1-CB 3.78Å; I109-W140 HydrophobicContact CG1-CB 4.08Å; I109-W140 PolarHBondContact N-O 2.94Å; I109-W140 PolarHBondContact O-N 3.49Å; L119-W140 PolarHBondContact O-NE1 3.5Å; V121-W140 HydrophobicContact CG2-CH2 3.5Å; V121-W140 VanDerWaalsContact CG2-CH2 3.5Å; V121-W140 HydrophobicContact CG2-CZ2 3.59Å; V121-W140 HydrophobicContact CG2-CZ3 4.47Å; V127-W140 HydrophobicContact CG1-CH2 4.35Å; V127-W140 HydrophobicContact CG1-CZ2 4.17Å; V127-W140 HydrophobicContact CG2-CH2 4.21Å; W140-L155 HydrophobicContact CE3-CB 3.82Å; W140-L155 HydrophobicContact CZ3-CB 4.17Å; W140-L156 CarbonylContact C-O 3.58Å; W140-L156 VanDerWaalsContact CA-O 3.31Å; W140-L156 WeakPolarHBondContact CA-O 3.42Å; W140-S157 VanDerWaalsContact CE3-CA 3.48Å; W140-F163 HydrophobicContact CZ3-CB 4.08Å; W140-A175 HydrophobicContact CH2-CB 4.39Å
141	E	95.1	Very high	86.2	Confident	102 Å²	102	72.8 Å²	72.8	48%	0.477	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.8	168.5	-65.4	180	-168.1	0	0	108.8	L156	E141-L156 HydrophobicContact CB-CB 4.17Å; E141-L156 HydrophobicContact CB-CD2 4.48Å; E141-L156 PolarHBondContact N-O 3.46Å; E141-L156 PolarHBondContact O-N 3.03Å
142	L	93.2	Very high	85.9	Confident	29 Å²	29	75.5 Å²	75.5	15%	0.152	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.7	179.7	-167.5	66.6	0	0	0	109.1	F51 V56 F144 M153 L155 M188	F51-L142 HydrophobicContact CE1-CD2 4.34Å; V56-L142 HydrophobicContact CG2-CD2 4.01Å; L142-F144 HydrophobicContact CD2-CE1 4.34Å; L142-F144 HydrophobicContact CD2-CE2 3.6Å; L142-F144 HydrophobicContact CD2-CZ 3.44Å; L142-F144 VanDerWaalsContact CD2-CZ 3.44Å; L142-F144 HydrophobicContact CG-CE2 4.03Å; L142-F144 HydrophobicContact CG-CZ 4.19Å; L142-M153 HydrophobicContact CD1-CB 4.19Å; L142-M153 HydrophobicContact CD1-CG 4.12Å; L142-M153 HydrophobicContact CD1-SD 3.65Å; L142-M153 HydrophobicContact CD2-SD 4.17Å; L142-M153 HydrophobicContact CG-SD 4.29Å; L142-L155 HydrophobicContact CD1-CD2 3.52Å; L142-L155 HydrophobicContact CD1-CG 4.36Å; L142-M188 HydrophobicContact CD1-CE 4.33Å
143	V	92.1	Very high	85.7	Confident	63 Å²	63	69.9 Å²	69.9	38%	0.382	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116	179.4	-175.6	0	0	0	0	108.5	M153 A154 F162	V143-M153 CarbonylContact O-C 3.59Å; V143-M153 WeakPolarHBondContact O-CA 3.46Å; V143-M153 WeakPolarHBondContact O-CB 2.98Å; V143-A154 PolarHBondContact N-O 3.17Å; V143-A154 PolarHBondContact O-N 3.35Å; V143-F162 HydrophobicContact CG2-CE1 4.2Å
144	F	88.3	Confident	85.6	Confident	55 Å²	55	67 Å²	67	24%	0.241	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	144	175	-70.2	-85	0	0	0	110.6	E53 V56 L142 M153	E53-F144 HydrophobicContact CG-CD1 4.46Å; E53-F144 HydrophobicContact CG-CD2 4.27Å; E53-F144 HydrophobicContact CG-CE1 4.37Å; E53-F144 HydrophobicContact CG-CE2 4.18Å; E53-F144 HydrophobicContact CG-CG 4.42Å; E53-F144 HydrophobicContact CG-CZ 4.23Å; V56-F144 HydrophobicContact CG2-CE2 3.81Å; V56-F144 HydrophobicContact CG2-CZ 3.44Å; V56-F144 VanDerWaalsContact CG2-CZ 3.44Å; L142-F144 HydrophobicContact CD2-CE1 4.34Å; L142-F144 HydrophobicContact CD2-CE2 3.6Å; L142-F144 HydrophobicContact CD2-CZ 3.44Å; L142-F144 VanDerWaalsContact CD2-CZ 3.44Å; L142-F144 HydrophobicContact CG-CE2 4.03Å; L142-F144 HydrophobicContact CG-CZ 4.19Å; F144-M153 HydrophobicContact CD1-CB 4.33Å; F144-M153 HydrophobicContact CD1-CE 4.27Å; F144-M153 HydrophobicContact CE1-CE 3.63Å; F144-M153 HydrophobicContact CE1-SD 4.43Å; F144-M153 HydrophobicContact CZ-CE 4.42Å
145	E	83.3	Confident	85.6	Confident	81 Å²	81	64.6 Å²	64.6	38%	0.379	35%	0.347	S	S	.	.			trans	-73.5	132.7	169.4	-170.4	172.2	-155.9	0	0	109.5	V147 K152	E145-V147 HydrophobicContact CG-CB 4.26Å; E145-V147 HydrophobicContact CG-CG2 4.2Å; E145-V147 PolarHBondContact O-N 2.88Å; E145-K152 HydrophobicContact CB-CB 4.17Å; E145-K152 PolarHBondContact N-O 2.85Å; E145-K152 VanDerWaalsContact OE2-CB 3.28Å; E145-K152 WeakPolarHBondContact OE2-CB 3.34Å; E145-K152 WeakPolarHBondContact OE2-CD 3.43Å
146	D	69.4	Low	85.7	Confident	171 Å²	171	65.4 Å²	65.4	91%	0.914	35%	0.346	S	S	*	.	S	Bend	trans	-60.6	-16.5	-179.5	-78.4	-28.6	0	0	0	113.3
147	V	69.9	Low	85.7	Confident	80 Å²	80	61.1 Å²	61.1	49%	0.485	32%	0.319	S	S	.	.	S	Bend	trans	-81.8	126.1	-179.3	-170.6	0	0	0	0	109.1	E145 S149	E145-V147 HydrophobicContact CG-CB 4.26Å; E145-V147 HydrophobicContact CG-CG2 4.2Å; E145-V147 PolarHBondContact O-N 2.88Å; V147-S149 WeakPolarHBondContact CG1-OG 3.23Å; V147-S149 PolarHBondContact O-N 3.21Å
148	P	60.1	Low	85.6	Confident	139 Å²	139	58 Å²	58	90%	0.903	32%	0.316	S	S	*	.			trans	-70	26.7	-177.4	27.1	-34.2	0	0	0	114.9
149	S	55.1	Low	85.5	Confident	47 Å²	47	60.3 Å²	60.3	33%	0.329	33%	0.329	S	S	.	.	S	Bend	trans	-100.4	120	179.4	55.3	0	0	0	0	112.2	V147 G151	V147-S149 WeakPolarHBondContact CG1-OG 3.23Å; V147-S149 PolarHBondContact O-N 3.21Å; S149-G151 VanDerWaalsContact C-N 3.26Å; S149-G151 PolarHBondContact O-N 3.06Å
150	L	65.1	Low	85.3	Confident	107 Å²	107	57.5 Å²	57.5	56%	0.56	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	12	166.6	-92.3	105.8	0	0	0	118.8	K152	L150-K152 PolarHBondContact O-N 2.75Å
151	G	78.3	Confident	85.3	Confident	26 Å²	26	58 Å²	58	27%	0.268	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	35.4	177.1	0	0	0	0	0	112.2	S149 M153	S149-G151 VanDerWaalsContact C-N 3.26Å; S149-G151 PolarHBondContact O-N 3.06Å; G151-M153 WeakPolarHBondContact O-CE 3.18Å
152	K	88.6	Confident	85.4	Confident	84 Å²	84	54.6 Å²	54.6	37%	0.365	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	136.3	173.2	-74.1	177.7	173.5	-170.9	0	110	E145 L150 I185 V187	E145-K152 HydrophobicContact CB-CB 4.17Å; E145-K152 PolarHBondContact N-O 2.85Å; E145-K152 VanDerWaalsContact OE2-CB 3.28Å; E145-K152 WeakPolarHBondContact OE2-CB 3.34Å; E145-K152 WeakPolarHBondContact OE2-CD 3.43Å; L150-K152 PolarHBondContact O-N 2.75Å; K152-I185 HydrophobicContact CB-CG2 3.71Å; K152-I185 HydrophobicContact CD-CG2 4.05Å; K152-I185 HydrophobicContact CG-CG2 3.93Å; K152-V187 HydrophobicContact CG-CG2 4.21Å
153	M	92.6	Very high	85.5	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	161.2	-176.3	59.4	-170.1	75.9	0	0	111	F51 L142 V143 F144 G151 I186 M188	F51-M153 HydrophobicContact CB-CE 4.06Å; F51-M153 HydrophobicContact CD1-CE 4.2Å; L142-M153 HydrophobicContact CD1-CB 4.19Å; L142-M153 HydrophobicContact CD1-CG 4.12Å; L142-M153 HydrophobicContact CD1-SD 3.65Å; L142-M153 HydrophobicContact CD2-SD 4.17Å; L142-M153 HydrophobicContact CG-SD 4.29Å; V143-M153 CarbonylContact O-C 3.59Å; V143-M153 WeakPolarHBondContact O-CA 3.46Å; V143-M153 WeakPolarHBondContact O-CB 2.98Å; F144-M153 HydrophobicContact CD1-CB 4.33Å; F144-M153 HydrophobicContact CD1-CE 4.27Å; F144-M153 HydrophobicContact CE1-CE 3.63Å; F144-M153 HydrophobicContact CE1-SD 4.43Å; F144-M153 HydrophobicContact CZ-CE 4.42Å; G151-M153 WeakPolarHBondContact O-CE 3.18Å; M153-I186 HydrophobicContact CG-CG1 4.08Å; M153-I186 PolarHBondContact N-O 3.22Å; M153-I186 WeakPolarHBondContact O-CG1 3.25Å; M153-I186 PolarHBondContact O-N 2.85Å; M153-I186 VanDerWaalsContact O-O 3.09Å; M153-M188 HydrophobicContact CE-CB 3.8Å; M153-M188 HydrophobicContact SD-CB 3.37Å; M153-M188 WeakPolarHBondContact SD-CB 3.41Å; M153-M188 HydrophobicContact SD-CE 4.17Å; M153-M188 HydrophobicContact SD-CG 4.47Å; M153-M188 HydrophobicContact SD-SD 4.44Å
154	A	94.5	Very high	85.6	Confident	4 Å²	4	51.1 Å²	51.1	3%	0.033	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.9	172.3	0	0	0	0	0	109.9	V143 F162 A180 I185	V143-A154 PolarHBondContact N-O 3.17Å; V143-A154 PolarHBondContact O-N 3.35Å; A154-F162 HydrophobicContact CB-CD1 3.67Å; A154-F162 HydrophobicContact CB-CE1 3.88Å; A154-A180 HydrophobicContact CB-CB 4.04Å; A154-I185 HydrophobicContact CB-CD1 4.25Å
155	L	95.9	Very high	85.8	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.8	176.1	-72.2	171.6	0	0	0	109.4	L64 I109 L111 W140 L142 F162 F163 I186	L64-L155 HydrophobicContact CD1-CD1 4.06Å; L64-L155 HydrophobicContact CD2-CD1 4.38Å; I109-L155 HydrophobicContact CD1-CD2 4.3Å; L111-L155 HydrophobicContact CD1-CD1 3.97Å; W140-L155 HydrophobicContact CE3-CB 3.82Å; W140-L155 HydrophobicContact CZ3-CB 4.17Å; L142-L155 HydrophobicContact CD1-CD2 3.52Å; L142-L155 HydrophobicContact CD1-CG 4.36Å; L155-F162 CarbonylContact O-C 3.55Å; L155-F162 VanDerWaalsContact O-CA 3.3Å; L155-F162 WeakPolarHBondContact O-CA 3.49Å; L155-F163 HydrophobicContact CB-CB 3.86Å; L155-F163 PolarHBondContact O-N 3.19Å; L155-I186 HydrophobicContact CD1-CD1 3.64Å; L155-I186 HydrophobicContact CG-CD1 3.94Å
156	L	96.8	Very high	86.1	Confident	36 Å²	36	51.3 Å²	51.3	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124	174.3	-179.6	68.6	0	0	0	109.2	W140 E141 F162	W140-L156 CarbonylContact C-O 3.58Å; W140-L156 VanDerWaalsContact CA-O 3.31Å; W140-L156 WeakPolarHBondContact CA-O 3.42Å; E141-L156 HydrophobicContact CB-CB 4.17Å; E141-L156 HydrophobicContact CB-CD2 4.48Å; E141-L156 PolarHBondContact N-O 3.46Å; E141-L156 PolarHBondContact O-N 3.03Å; L156-F162 HydrophobicContact CB-CD1 4.12Å; L156-F162 HydrophobicContact CB-CE1 3.96Å; L156-F162 HydrophobicContact CD1-CD1 4.23Å; L156-F162 HydrophobicContact CD1-CD2 4.38Å; L156-F162 HydrophobicContact CD1-CE1 4.15Å; L156-F162 HydrophobicContact CD1-CE2 4.29Å; L156-F162 HydrophobicContact CD1-CG 4.35Å; L156-F162 HydrophobicContact CD1-CZ 4.18Å
157	S	96.1	Very high	86.8	Confident	6 Å²	6	43.7 Å²	43.7	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	168	-178.9	95.6	0	0	0	0	112.5	W140 N159 G160 C161	W140-S157 VanDerWaalsContact CE3-CA 3.48Å; S157-N159 PolarHBondContact O-N 3.39Å; S157-N159 VanDerWaalsContact O-N 3.08Å; S157-N159 PolarHBondContact OG-N 3.4Å; S157-N159 PolarHBondContact OG-OD1 3.44Å; S157-G160 PolarHBondContact O-N 3.23Å; S157-C161 WeakPolarHBondContact CB-O 3.29Å; S157-C161 PolarHBondContact N-O 2.78Å; S157-C161 PolarHBondContact OG-O 2.97Å
158	S	93	Very high	87.8	Confident	59 Å²	59	41.6 Å²	41.6	41%	0.413	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.1	174.9	63.2	0	0	0	0	115.8	P136 R137 R139 G160	P136-S158 WeakPolarHBondContact O-CB 3.44Å; R137-S158 WeakPolarHBondContact CA-OG 3.42Å; R137-S158 PolarHBondContact O-OG 3.17Å; R139-S158 PolarHBondContact O-N 2.99Å; S158-G160 VanDerWaalsContact C-N 3.28Å
159	N	93.5	Very high	89.3	Confident	71 Å²	71	43.6 Å²	43.6	38%	0.38	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	2.6	176.7	76.3	3.6	0	0	0	113.4	S157 C161 A175	S157-N159 PolarHBondContact O-N 3.39Å; S157-N159 VanDerWaalsContact O-N 3.08Å; S157-N159 PolarHBondContact OG-N 3.4Å; S157-N159 PolarHBondContact OG-OD1 3.44Å; N159-C161 VanDerWaalsContact C-N 3.31Å; N159-C161 WeakPolarHBondContact OD1-CA 3.4Å; N159-C161 WeakPolarHBondContact OD1-CB 3.36Å; N159-C161 PolarHBondContact OD1-N 3.2Å; N159-A175 PolarHBondContact ND2-O 3.24Å
160	G	94	Very high	91	Very high	43 Å²	43	48 Å²	48	44%	0.443	27%	0.27	S	S	.	.	S	Bend	trans	76.1	15.4	-177.7	0	0	0	0	0	114.4	S157 S158	S157-G160 PolarHBondContact O-N 3.23Å; S158-G160 VanDerWaalsContact C-N 3.28Å
161	C	96.2	Very high	92.4	Very high	13 Å²	13	44.1 Å²	44.1	9%	0.088	26%	0.256	C	S	.	.			trans	-114.9	147.6	173.5	-55.5	0	0	0	0	110.9	S157 N159 A175 S177	S157-C161 WeakPolarHBondContact CB-O 3.29Å; S157-C161 PolarHBondContact N-O 2.78Å; S157-C161 PolarHBondContact OG-O 2.97Å; N159-C161 VanDerWaalsContact C-N 3.31Å; N159-C161 WeakPolarHBondContact OD1-CA 3.4Å; N159-C161 WeakPolarHBondContact OD1-CB 3.36Å; N159-C161 PolarHBondContact OD1-N 3.2Å; C161-A175 WeakPolarHBondContact CB-O 3.43Å; C161-S177 CarbonylContact C-O 3.48Å; C161-S177 VanDerWaalsContact CA-O 3.25Å; C161-S177 WeakPolarHBondContact CA-O 3.31Å; C161-S177 WeakPolarHBondContact CB-O 3.11Å
162	F	96.6	Very high	93.2	Very high	29 Å²	29	44.8 Å²	44.8	13%	0.127	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.5	175.6	-68.6	-78.4	0	0	0	111.4	V143 A154 L155 L156 N164 A175 S177 K178 A180 E184	V143-F162 HydrophobicContact CG2-CE1 4.2Å; A154-F162 HydrophobicContact CB-CD1 3.67Å; A154-F162 HydrophobicContact CB-CE1 3.88Å; L155-F162 CarbonylContact O-C 3.55Å; L155-F162 VanDerWaalsContact O-CA 3.3Å; L155-F162 WeakPolarHBondContact O-CA 3.49Å; L156-F162 HydrophobicContact CB-CD1 4.12Å; L156-F162 HydrophobicContact CB-CE1 3.96Å; L156-F162 HydrophobicContact CD1-CD1 4.23Å; L156-F162 HydrophobicContact CD1-CD2 4.38Å; L156-F162 HydrophobicContact CD1-CE1 4.15Å; L156-F162 HydrophobicContact CD1-CE2 4.29Å; L156-F162 HydrophobicContact CD1-CG 4.35Å; L156-F162 HydrophobicContact CD1-CZ 4.18Å; F162-N164 PolarHBondContact O-N 3.26Å; F162-A175 VanDerWaalsContact O-CA 3.26Å; F162-A175 WeakPolarHBondContact O-CA 3.14Å; F162-S177 PolarHBondContact N-O 3.29Å; F162-K178 WeakPolarHBondContact CE2-O 3.03Å; F162-A180 HydrophobicContact CD1-CB 4.23Å; F162-A180 HydrophobicContact CD2-CB 4.15Å; F162-A180 HydrophobicContact CE1-CB 4.27Å; F162-A180 HydrophobicContact CE2-CB 4.19Å; F162-A180 HydrophobicContact CG-CB 4.17Å; F162-A180 HydrophobicContact CZ-CB 4.25Å; F162-E184 HydrophobicContact CB-CB 4.04Å; F162-E184 HydrophobicContact CB-CG 3.87Å
163	F	96.1	Very high	93.6	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	128.3	164.6	177	-92.9	0	0	0	109.9	T66 V72 V127 W140 L155 L173 E184 I186	T66-F163 HydrophobicContact CG2-CE1 4.47Å; V72-F163 HydrophobicContact CG1-CZ 4.47Å; V72-F163 HydrophobicContact CG2-CE1 4.2Å; V72-F163 HydrophobicContact CG2-CZ 3.68Å; V127-F163 HydrophobicContact CG1-CE2 4.44Å; V127-F163 HydrophobicContact CG2-CD2 3.86Å; V127-F163 HydrophobicContact CG2-CE2 4.12Å; W140-F163 HydrophobicContact CZ3-CB 4.08Å; L155-F163 HydrophobicContact CB-CB 3.86Å; L155-F163 PolarHBondContact O-N 3.19Å; F163-L173 HydrophobicContact CE1-CD1 4.45Å; F163-L173 HydrophobicContact CE2-CB 4.15Å; F163-L173 HydrophobicContact CE2-CD1 3.91Å; F163-L173 HydrophobicContact CZ-CB 4.34Å; F163-L173 HydrophobicContact CZ-CD1 3.43Å; F163-L173 VanDerWaalsContact CZ-CD1 3.43Å; F163-L173 HydrophobicContact CZ-CG 4.48Å; F163-E184 VanDerWaalsContact O-CA 3.25Å; F163-E184 WeakPolarHBondContact O-CA 3.37Å; F163-E184 WeakPolarHBondContact O-CB 3.34Å; F163-E184 WeakPolarHBondContact O-CG 3.21Å; F163-I186 HydrophobicContact CD1-CG2 4.12Å; F163-I186 HydrophobicContact CE1-CG2 4.07Å
164	N	94.5	Very high	93.7	Very high	17 Å²	17	42.2 Å²	42.2	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.2	-177.8	179.9	-49	0	0	0	108.8	F162 N166 M174 N183 E184	F162-N164 PolarHBondContact O-N 3.26Å; N164-N166 WeakPolarHBondContact OD1-CA 3.44Å; N164-N166 WeakPolarHBondContact OD1-CB 3.49Å; N164-N166 PolarHBondContact OD1-N 3.06Å; N164-M174 WeakPolarHBondContact CA-O 3.39Å; N164-M174 WeakPolarHBondContact CB-O 3.1Å; N164-M174 PolarHBondContact N-O 3.18Å; N164-M174 PolarHBondContact O-N 2.86Å; N164-N183 WeakPolarHBondContact CA-O 3.36Å; N164-E184 HydrophobicContact CB-CG 4.1Å; N164-E184 PolarHBondContact ND2-OE1 2.98Å
165	Y	93.4	Very high	93.8	Very high	30 Å²	30	42 Å²	42	12%	0.118	24%	0.238	C	C	.	.			trans	-91.2	1.3	-177.2	65	-105	0	0	0	114.6	T66 L82 G167 E182 N183 I185 I186	T66-Y165 HydrophobicContact CG2-CD1 3.78Å; T66-Y165 HydrophobicContact CG2-CG 3.74Å; L82-Y165 HydrophobicContact CD1-CD2 4.26Å; Y165-G167 PolarHBondContact O-N 3.48Å; Y165-G167 VanDerWaalsContact O-N 3.16Å; Y165-E182 WeakPolarHBondContact CE1-O 3.5Å; Y165-E182 PolarHBondContact OH-O 2.67Å; Y165-N183 VanDerWaalsContact CD1-C 3.5Å; Y165-N183 WeakPolarHBondContact CD1-O 3.34Å; Y165-N183 VanDerWaalsContact CE1-CA 3.43Å; Y165-N183 WeakPolarHBondContact CE1-O 3.42Å; Y165-N183 HydrophobicContact CE2-CB 4.49Å; Y165-N183 VanDerWaalsContact CZ-CA 3.47Å; Y165-N183 PolarHBondContact N-O 2.85Å; Y165-I185 WeakPolarHBondContact CE1-O 2.9Å; Y165-I186 HydrophobicContact CD1-CG2 4.22Å
166	N	89.5	Confident	93.7	Very high	110 Å²	110	46 Å²	46	59%	0.588	26%	0.259	S	S	*	.	S	Bend	trans	-74.4	3.9	179	-167.1	55	0	0	0	114.2	N164 N183	N164-N166 WeakPolarHBondContact OD1-CA 3.44Å; N164-N166 WeakPolarHBondContact OD1-CB 3.49Å; N164-N166 PolarHBondContact OD1-N 3.06Å; N166-N183 HydrophobicContact CB-CB 4.16Å
167	G	83	Confident	93.6	Very high	12 Å²	12	45 Å²	45	12%	0.124	26%	0.256	C	S	.	.			trans	62.5	172.7	172.4	0	0	0	0	0	115.6	Y165 Y172 M174	Y165-G167 PolarHBondContact O-N 3.48Å; Y165-G167 VanDerWaalsContact O-N 3.16Å; G167-Y172 CarbonylContact C-O 3.54Å; G167-Y172 WeakPolarHBondContact CA-O 3.12Å; G167-M174 WeakPolarHBondContact O-CE 3.46Å
168	D	90.7	Very high	93.4	Very high	36 Å²	36	53 Å²	53	19%	0.193	29%	0.29	C	S	.	.			trans	-87.9	-171.2	152.8	68.2	-4.3	0	0	0	110	Y126 E170 G171 Y172 M174	Y126-D168 HydrophobicContact CE1-CB 4.18Å; Y126-D168 VanDerWaalsContact CE1-OD2 3.26Å; Y126-D168 WeakPolarHBondContact CE1-OD2 3.4Å; Y126-D168 PolarHBondContact OH-OD2 3.29Å; D168-E170 PolarHBondContact O-N 3.46Å; D168-E170 VanDerWaalsContact O-N 3.14Å; D168-E170 WeakPolarHBondContact OD1-CA 3.34Å; D168-E170 WeakPolarHBondContact OD1-CB 3.37Å; D168-E170 PolarHBondContact OD1-N 2.77Å; D168-G171 PolarHBondContact O-N 2.92Å; D168-G171 PolarHBondContact OD1-N 2.94Å; D168-Y172 PolarHBondContact N-O 3.35Å; D168-Y172 WeakPolarHBondContact OD1-CB 3.5Å; D168-Y172 PolarHBondContact OD1-N 3.18Å; D168-Y172 WeakPolarHBondContact OD2-CD2 3.28Å; D168-M174 HydrophobicContact CB-CE 4.19Å; D168-M174 HydrophobicContact CB-SD 4.47Å
169	D	91.2	Very high	93.4	Very high	181 Å²	181	53.9 Å²	53.9	97%	0.968	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.5	176.9	-64.9	-27.4	0	0	0	113.1
170	E	91.7	Very high	93.3	Very high	139 Å²	139	52.6 Å²	52.6	65%	0.65	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2	176.4	-61.2	-174.7	-177.2	0	0	112.5	D168 Y172	D168-E170 PolarHBondContact O-N 3.46Å; D168-E170 VanDerWaalsContact O-N 3.14Å; D168-E170 WeakPolarHBondContact OD1-CA 3.34Å; D168-E170 WeakPolarHBondContact OD1-CB 3.37Å; D168-E170 PolarHBondContact OD1-N 2.77Å; E170-Y172 HydrophobicContact CB-CD2 3.84Å; E170-Y172 HydrophobicContact CB-CE2 3.83Å; E170-Y172 WeakPolarHBondContact OE2-CE2 3.39Å
171	G	93.6	Very high	93.2	Very high	26 Å²	26	57 Å²	57	27%	0.268	30%	0.299	S	S	.	.			trans	82.4	16.5	-179.1	0	0	0	0	0	114.5	T81 D168	T81-G171 WeakPolarHBondContact CB-O 3.36Å; T81-G171 PolarHBondContact OG1-O 2.8Å; D168-G171 PolarHBondContact O-N 2.92Å; D168-G171 PolarHBondContact OD1-N 2.94Å
172	Y	96	Very high	93	Very high	40 Å²	40	64 Å²	64	16%	0.157	33%	0.33	C	S	.	.			trans	-82.8	131.3	178.5	-63.2	-44.2	0	0	0	113	L75 N77 K79 F80 G167 D168 E170	L75-Y172 HydrophobicContact CD1-CD1 4.09Å; L75-Y172 HydrophobicContact CD1-CE1 3.56Å; N77-Y172 PolarHBondContact ND2-OH 2.85Å; K79-Y172 HydrophobicContact CB-CD1 3.89Å; K79-Y172 HydrophobicContact CB-CE1 4.21Å; K79-Y172 HydrophobicContact CB-CG 4.39Å; K79-Y172 HydrophobicContact CD-CD1 3.7Å; K79-Y172 HydrophobicContact CD-CD2 3.5Å; K79-Y172 VanDerWaalsContact CD-CD2 3.5Å; K79-Y172 HydrophobicContact CD-CE1 3.88Å; K79-Y172 HydrophobicContact CD-CE2 3.58Å; K79-Y172 HydrophobicContact CD-CG 3.53Å; K79-Y172 HydrophobicContact CG-CD1 4.48Å; F80-Y172 WeakPolarHBondContact O-CA 3.26Å; G167-Y172 CarbonylContact C-O 3.54Å; G167-Y172 WeakPolarHBondContact CA-O 3.12Å; D168-Y172 PolarHBondContact N-O 3.35Å; D168-Y172 WeakPolarHBondContact OD1-CB 3.5Å; D168-Y172 PolarHBondContact OD1-N 3.18Å; D168-Y172 WeakPolarHBondContact OD2-CD2 3.28Å; E170-Y172 HydrophobicContact CB-CD2 3.84Å; E170-Y172 HydrophobicContact CB-CE2 3.83Å; E170-Y172 WeakPolarHBondContact OE2-CE2 3.39Å
173	L	96.6	Very high	92.8	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	34%	0.338	C	S	.	.			trans	-74.8	145.5	-173.6	-47	-170.4	0	0	0	111.8	V72 F80 L82 V127 F163	V72-L173 HydrophobicContact CB-CD1 4.34Å; V72-L173 HydrophobicContact CG1-CD1 3.65Å; V72-L173 HydrophobicContact CG2-CD1 3.92Å; F80-L173 HydrophobicContact CB-CB 4.29Å; F80-L173 HydrophobicContact CB-CD1 4Å; F80-L173 HydrophobicContact CB-CG 4.07Å; F80-L173 PolarHBondContact O-N 3.39Å; L82-L173 HydrophobicContact CD2-CD1 4.11Å; L82-L173 HydrophobicContact CD2-CD2 4.2Å; L82-L173 HydrophobicContact CG-CD2 4.2Å; V127-L173 PolarHBondContact N-O 3.11Å; F163-L173 HydrophobicContact CE1-CD1 4.45Å; F163-L173 HydrophobicContact CE2-CB 4.15Å; F163-L173 HydrophobicContact CE2-CD1 3.91Å; F163-L173 HydrophobicContact CZ-CB 4.34Å; F163-L173 HydrophobicContact CZ-CD1 3.43Å; F163-L173 VanDerWaalsContact CZ-CD1 3.43Å; F163-L173 HydrophobicContact CZ-CG 4.48Å
174	M	95.7	Very high	92.7	Very high	29 Å²	29	65.3 Å²	65.3	14%	0.143	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	161.9	-174.2	-64.9	-171.1	-72.8	0	0	111.6	G125 Y126 N164 G167 D168 N176	G125-M174 CarbonylContact O-C 3.47Å; G125-M174 VanDerWaalsContact O-CA 3.25Å; G125-M174 WeakPolarHBondContact O-CA 3.34Å; Y126-M174 HydrophobicContact CD1-CG 3.71Å; Y126-M174 HydrophobicContact CD1-SD 4.31Å; Y126-M174 HydrophobicContact CE1-CG 3.93Å; Y126-M174 HydrophobicContact CE1-SD 3.99Å; Y126-M174 HydrophobicContact CG-CG 4.44Å; N164-M174 WeakPolarHBondContact CA-O 3.39Å; N164-M174 WeakPolarHBondContact CB-O 3.1Å; N164-M174 PolarHBondContact N-O 3.18Å; N164-M174 PolarHBondContact O-N 2.86Å; G167-M174 WeakPolarHBondContact O-CE 3.46Å; D168-M174 HydrophobicContact CB-CE 4.19Å; D168-M174 HydrophobicContact CB-SD 4.47Å; M174-N176 VanDerWaalsContact CE-ND2 3.34Å; M174-N176 WeakPolarHBondContact CE-ND2 3.41Å
175	A	96.2	Very high	92.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	87.5	166.7	0	0	0	0	0	108.9	V121 G125 V127 W140 N159 C161 F162	V121-A175 HydrophobicContact CG1-CB 4.22Å; V121-A175 HydrophobicContact CG2-CB 3.88Å; G125-A175 PolarHBondContact O-N 3.46Å; V127-A175 HydrophobicContact CG2-CB 4.42Å; W140-A175 HydrophobicContact CH2-CB 4.39Å; N159-A175 PolarHBondContact ND2-O 3.24Å; C161-A175 WeakPolarHBondContact CB-O 3.43Å; F162-A175 VanDerWaalsContact O-CA 3.26Å; F162-A175 WeakPolarHBondContact O-CA 3.14Å
176	N	93.9	Very high	92.7	Very high	85 Å²	85	65.1 Å²	65.1	46%	0.455	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	-8.3	-171.4	63.2	4	0	0	0	114	M174	M174-N176 VanDerWaalsContact CE-ND2 3.34Å; M174-N176 WeakPolarHBondContact CE-ND2 3.41Å
177	S	93.6	Very high	92.9	Very high	17 Å²	17	60.7 Å²	60.7	12%	0.119	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.3	-177.1	-171.5	0	0	0	0	111.3	C161 F162 T179 E184	C161-S177 CarbonylContact C-O 3.48Å; C161-S177 VanDerWaalsContact CA-O 3.25Å; C161-S177 WeakPolarHBondContact CA-O 3.31Å; C161-S177 WeakPolarHBondContact CB-O 3.11Å; F162-S177 PolarHBondContact N-O 3.29Å; S177-T179 VanDerWaalsContact C-N 3.27Å; S177-T179 PolarHBondContact O-N 2.82Å; S177-T179 PolarHBondContact OG-O 3.15Å; S177-E184 WeakPolarHBondContact CB-OE1 3.36Å; S177-E184 PolarHBondContact OG-OE1 2.85Å
178	K	93.2	Very high	93.4	Very high	173 Å²	173	60.1 Å²	60.1	75%	0.752	31%	0.31	S	S	*	.	S	Bend	trans	-80.4	-9.4	176.7	-65.5	-174.1	179.6	-177.4	0	113.7	F162	F162-K178 WeakPolarHBondContact CE2-O 3.03Å
179	T	92.8	Very high	93.5	Very high	78 Å²	78	58.6 Å²	58.6	48%	0.479	30%	0.302	S	S	.	.	S	Bend	trans	-130.8	127	-175.2	55.3	0	0	0	0	108.8	S177 K181	S177-T179 VanDerWaalsContact C-N 3.27Å; S177-T179 PolarHBondContact O-N 2.82Å; S177-T179 PolarHBondContact OG-O 3.15Å; T179-K181 PolarHBondContact O-N 3.28Å
180	A	91.5	Very high	93.6	Very high	43 Å²	43	50 Å²	50	36%	0.355	26%	0.256	S	S	.	.			trans	-69.7	113	174.2	0	0	0	0	0	109.9	A154 F162 E184 I185	A154-A180 HydrophobicContact CB-CB 4.04Å; F162-A180 HydrophobicContact CD1-CB 4.23Å; F162-A180 HydrophobicContact CD2-CB 4.15Å; F162-A180 HydrophobicContact CE1-CB 4.27Å; F162-A180 HydrophobicContact CE2-CB 4.19Å; F162-A180 HydrophobicContact CG-CB 4.17Å; F162-A180 HydrophobicContact CZ-CB 4.25Å; A180-E184 HydrophobicContact CB-CB 4.18Å; A180-I185 HydrophobicContact CB-CD1 4Å
181	K	91.1	Very high	93.6	Very high	135 Å²	135	47.2 Å²	47.2	59%	0.587	25%	0.245	S	C	*	.			trans	-111.2	-167.1	169.2	-52.7	171.5	-176.9	170	0	107.6	T179 N183 E184 I185	T179-K181 PolarHBondContact O-N 3.28Å; K181-N183 PolarHBondContact O-N 2.86Å; K181-E184 VanDerWaalsContact C-OE2 3.28Å; K181-E184 VanDerWaalsContact CA-OE2 3.27Å; K181-E184 WeakPolarHBondContact CA-OE2 3.36Å; K181-E184 VanDerWaalsContact CB-OE2 3.24Å; K181-E184 WeakPolarHBondContact CB-OE2 3.26Å; K181-E184 PolarHBondContact N-OE2 3.31Å; K181-E184 PolarHBondContact O-N 2.78Å; K181-I185 WeakPolarHBondContact O-CG1 3.42Å; K181-I185 PolarHBondContact O-N 2.97Å
182	E	92	Very high	93.3	Very high	161 Å²	161	47 Å²	47	75%	0.752	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-53.5	-37.2	-178.5	-169.4	168.7	-163.5	0	0	113.9	Y165 E184	Y165-E182 WeakPolarHBondContact CE1-O 3.5Å; Y165-E182 PolarHBondContact OH-O 2.67Å; E182-E184 VanDerWaalsContact C-N 3.26Å; E182-E184 PolarHBondContact O-N 2.81Å
183	N	93.4	Very high	92.6	Very high	54 Å²	54	53.6 Å²	53.6	29%	0.289	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-81.1	-1.8	-178.2	-66.6	-11.4	0	0	0	114.4	N164 Y165 N166 K181	N164-N183 WeakPolarHBondContact CA-O 3.36Å; Y165-N183 VanDerWaalsContact CD1-C 3.5Å; Y165-N183 WeakPolarHBondContact CD1-O 3.34Å; Y165-N183 VanDerWaalsContact CE1-CA 3.43Å; Y165-N183 WeakPolarHBondContact CE1-O 3.42Å; Y165-N183 HydrophobicContact CE2-CB 4.49Å; Y165-N183 VanDerWaalsContact CZ-CA 3.47Å; Y165-N183 PolarHBondContact N-O 2.85Å; N166-N183 HydrophobicContact CB-CB 4.16Å; K181-N183 PolarHBondContact O-N 2.86Å
184	E	93.5	Very high	91.5	Very high	5 Å²	5	57.1 Å²	57.1	2%	0.023	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-114.1	-9.6	179.1	-66.2	83.5	179.8	0	0	112.4	F162 F163 N164 S177 A180 K181 E182	F162-E184 HydrophobicContact CB-CB 4.04Å; F162-E184 HydrophobicContact CB-CG 3.87Å; F163-E184 VanDerWaalsContact O-CA 3.25Å; F163-E184 WeakPolarHBondContact O-CA 3.37Å; F163-E184 WeakPolarHBondContact O-CB 3.34Å; F163-E184 WeakPolarHBondContact O-CG 3.21Å; N164-E184 HydrophobicContact CB-CG 4.1Å; N164-E184 PolarHBondContact ND2-OE1 2.98Å; S177-E184 WeakPolarHBondContact CB-OE1 3.36Å; S177-E184 PolarHBondContact OG-OE1 2.85Å; A180-E184 HydrophobicContact CB-CB 4.18Å; K181-E184 VanDerWaalsContact C-OE2 3.28Å; K181-E184 VanDerWaalsContact CA-OE2 3.27Å; K181-E184 WeakPolarHBondContact CA-OE2 3.36Å; K181-E184 VanDerWaalsContact CB-OE2 3.24Å; K181-E184 WeakPolarHBondContact CB-OE2 3.26Å; K181-E184 PolarHBondContact N-OE2 3.31Å; K181-E184 PolarHBondContact O-N 2.78Å; E182-E184 VanDerWaalsContact C-N 3.26Å; E182-E184 PolarHBondContact O-N 2.81Å
185	I	93.5	Very high	89.7	Confident	40 Å²	40	61.6 Å²	61.6	21%	0.205	31%	0.311	C	S	.	.			trans	-85.7	126.1	175.2	-57	-49.8	0	0	0	109.7	K152 A154 Y165 A180 K181	K152-I185 HydrophobicContact CB-CG2 3.71Å; K152-I185 HydrophobicContact CD-CG2 4.05Å; K152-I185 HydrophobicContact CG-CG2 3.93Å; A154-I185 HydrophobicContact CB-CD1 4.25Å; Y165-I185 WeakPolarHBondContact CE1-O 2.9Å; A180-I185 HydrophobicContact CB-CD1 4Å; K181-I185 WeakPolarHBondContact O-CG1 3.42Å; K181-I185 PolarHBondContact O-N 2.97Å
186	I	94.2	Very high	87.6	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.4	177.3	63.8	170	0	0	0	110.5	L64 E65 T66 M153 L155 F163 Y165	L64-I186 HydrophobicContact CB-CD1 4.25Å; L64-I186 HydrophobicContact CD1-CD1 4.45Å; L64-I186 HydrophobicContact CD2-CD1 3.94Å; L64-I186 HydrophobicContact CG-CD1 4.43Å; E65-I186 CarbonylContact O-C 3.47Å; E65-I186 WeakPolarHBondContact O-CA 3.31Å; E65-I186 WeakPolarHBondContact O-CB 3.45Å; T66-I186 HydrophobicContact CG2-CG2 4Å; M153-I186 HydrophobicContact CG-CG1 4.08Å; M153-I186 PolarHBondContact N-O 3.22Å; M153-I186 WeakPolarHBondContact O-CG1 3.25Å; M153-I186 PolarHBondContact O-N 2.85Å; M153-I186 VanDerWaalsContact O-O 3.09Å; L155-I186 HydrophobicContact CD1-CD1 3.64Å; L155-I186 HydrophobicContact CG-CD1 3.94Å; F163-I186 HydrophobicContact CD1-CG2 4.12Å; F163-I186 HydrophobicContact CE1-CG2 4.07Å; Y165-I186 HydrophobicContact CD1-CG2 4.22Å
187	V	93.3	Very high	85.3	Confident	17 Å²	17	65.9 Å²	65.9	10%	0.103	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.3	167.9	178.1	0	0	0	0	107.7	E65 K152 R189	E65-V187 WeakPolarHBondContact CA-O 3.27Å; E65-V187 HydrophobicContact CB-CB 4.34Å; E65-V187 VanDerWaalsContact CB-O 3.29Å; E65-V187 WeakPolarHBondContact CB-O 3.43Å; E65-V187 PolarHBondContact N-O 2.84Å; E65-V187 PolarHBondContact O-N 3.14Å; K152-V187 HydrophobicContact CG-CG2 4.21Å; V187-R189 HydrophobicContact CG1-CG 4.48Å
188	M	94	Very high	82.9	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.9	171.3	-172.1	178.1	-65	0	0	108.7	F51 V62 A63 L64 F100 L142 M153	F51-M188 HydrophobicContact CB-CB 3.71Å; F51-M188 HydrophobicContact CB-CG 3.83Å; F51-M188 WeakPolarHBondContact CB-O 3.22Å; F51-M188 HydrophobicContact CB-SD 4.29Å; F51-M188 HydrophobicContact CD1-CG 4.41Å; F51-M188 HydrophobicContact CD1-SD 3.75Å; F51-M188 HydrophobicContact CD2-CG 4.08Å; F51-M188 HydrophobicContact CD2-SD 3.8Å; F51-M188 HydrophobicContact CE1-SD 3.85Å; F51-M188 HydrophobicContact CE2-SD 3.93Å; F51-M188 HydrophobicContact CG-CB 4.18Å; F51-M188 HydrophobicContact CG-CG 3.9Å; F51-M188 HydrophobicContact CG-SD 3.71Å; F51-M188 HydrophobicContact CZ-SD 3.97Å; F51-M188 PolarHBondContact N-O 3.06Å; V62-M188 HydrophobicContact CB-CG 3.77Å; V62-M188 HydrophobicContact CB-SD 3.93Å; V62-M188 HydrophobicContact CG1-CG 4.03Å; V62-M188 HydrophobicContact CG1-SD 3.77Å; V62-M188 HydrophobicContact CG2-CG 4.31Å; V62-M188 HydrophobicContact CG2-SD 4.09Å; A63-M188 CarbonylContact O-C 3.51Å; A63-M188 WeakPolarHBondContact O-CA 3.33Å; L64-M188 HydrophobicContact CD2-CB 4.46Å; L64-M188 HydrophobicContact CD2-CE 3.65Å; L64-M188 HydrophobicContact CD2-CG 4.15Å; F100-M188 HydrophobicContact CD2-CE 4.08Å; F100-M188 HydrophobicContact CD2-SD 3.91Å; F100-M188 HydrophobicContact CE2-CE 4.25Å; F100-M188 HydrophobicContact CE2-SD 4.24Å; L142-M188 HydrophobicContact CD1-CE 4.33Å; M153-M188 HydrophobicContact CE-CB 3.8Å; M153-M188 HydrophobicContact SD-CB 3.37Å; M153-M188 WeakPolarHBondContact SD-CB 3.41Å; M153-M188 HydrophobicContact SD-CE 4.17Å; M153-M188 HydrophobicContact SD-CG 4.47Å; M153-M188 HydrophobicContact SD-SD 4.44Å
189	R	93.4	Very high	81	Confident	5 Å²	5	69.7 Å²	69.7	2%	0.019	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.8	172.1	-70	-169.7	164.7	68	-11	110.6	H45 W48 W49 V62 A63 E65 V187	H45-R189 PolarHBondContact CD2-NE 3.36Å; H45-R189 PolarHBondContact CD2-NH2 2.9Å; H45-R189 PolarHBondContact CE1-NH2 2.73Å; H45-R189 VanDerWaalsContact ND1-CZ 3.26Å; H45-R189 PolarHBondContact ND1-NE 3.32Å; H45-R189 VanDerWaalsContact ND1-NE 3.18Å; H45-R189 PolarHBondContact ND1-NH2 3.12Å; H45-R189 PolarHBondContact NE2-NH2 3.38Å; W48-R189 HydrophobicContact CB-CB 4.08Å; W48-R189 HydrophobicContact CE3-CB 4.44Å; W49-R189 CarbonylContact O-C 3.47Å; W49-R189 VanDerWaalsContact O-CA 3.22Å; W49-R189 WeakPolarHBondContact O-CA 3.47Å; V62-R189 CarbonylContact C-O 3.39Å; V62-R189 WeakPolarHBondContact CA-O 3.37Å; V62-R189 WeakPolarHBondContact CB-O 3.22Å; A63-R189 PolarHBondContact N-O 3.4Å; A63-R189 PolarHBondContact O-N 3.02Å; E65-R189 VanDerWaalsContact CD-CZ 3.5Å; E65-R189 IonicContact OE1-CZ 3.13Å; E65-R189 IonicContact OE1-NH1 2.6Å; E65-R189 PolarHBondContact OE1-NH1 3.31Å; E65-R189 IonicContact OE1-NH2 3.43Å; E65-R189 PolarHBondContact OE1-NH2 2.86Å; E65-R189 IonicContact OE2-CZ 2.73Å; E65-R189 IonicContact OE2-NE 3.19Å; E65-R189 IonicContact OE2-NH1 3.04Å; E65-R189 PolarHBondContact OE2-NH1 3.27Å; E65-R189 IonicContact OE2-NH2 3.92Å; E65-R189 PolarHBondContact OE2-NH2 3.49Å; V187-R189 HydrophobicContact CG1-CG 4.48Å
190	S	93.1	Very high	79.1	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.5	177.5	-177.4	0	0	0	0	111.6	W48 W49 S61 A192	W48-S190 CarbonylContact C-O 3.52Å; W48-S190 WeakPolarHBondContact CA-O 3.44Å; W48-S190 VanDerWaalsContact CE3-C 3.47Å; W49-S190 PolarHBondContact N-O 3.17Å; W49-S190 PolarHBondContact NE1-O 3.42Å; W49-S190 PolarHBondContact O-N 3.35Å; S61-S190 PolarHBondContact O-OG 2.77Å; S61-S190 VanDerWaalsContact O-OG 3.06Å; S190-A192 VanDerWaalsContact OG-CB 3.28Å; S190-A192 WeakPolarHBondContact OG-CB 3.33Å; S190-A192 PolarHBondContact OG-N 2.82Å
191	N	90.4	Very high	77.7	Confident	80 Å²	80	73 Å²	73	43%	0.428	38%	0.382	S	S	.	.			trans	-107.9	11.9	169.1	70.1	-10.1	0	0	0	112.4	W48 S61	W48-N191 HydrophobicContact CD2-CB 3.84Å; W48-N191 HydrophobicContact CE3-CB 4.02Å; W48-N191 HydrophobicContact CG-CB 4.41Å; W48-N191 HydrophobicContact CH2-CB 4.11Å; W48-N191 HydrophobicContact CZ2-CB 3.95Å; W48-N191 HydrophobicContact CZ3-CB 4.14Å; S61-N191 WeakPolarHBondContact CB-OD1 3.4Å
192	A	87.2	Confident	76.6	Confident	23 Å²	23	68.7 Å²	68.7	19%	0.19	37%	0.371	C	S	.	.	S	Bend	trans	-61.2	158.3	178.6	0	0	0	0	0	111.5	W49 C60 S190 R194	W49-A192 HydrophobicContact CZ2-CB 4.12Å; W49-A192 WeakPolarHBondContact CZ2-O 2.93Å; W49-A192 PolarHBondContact NE1-O 3.13Å; C60-A192 HydrophobicContact CB-CB 3.74Å; S190-A192 VanDerWaalsContact OG-CB 3.28Å; S190-A192 WeakPolarHBondContact OG-CB 3.33Å; S190-A192 PolarHBondContact OG-N 2.82Å; A192-R194 PolarHBondContact O-N 2.92Å
193	E	81.2	Confident	75.7	Confident	178 Å²	178	67.3 Å²	67.3	83%	0.832	37%	0.369	S	S	*	.			trans	-60.7	128	168.8	-67.3	-173.8	172	0	0	109.1	N195	E193-N195 PolarHBondContact O-N 3.28Å
194	R	74.1	Confident	75	Confident	75 Å²	75	65.5 Å²	65.5	28%	0.283	36%	0.36	S	S	.	.			trans	-68.2	109.2	176.1	-68	-178.7	-174.1	-172.2	4.6	108.4	D42 W49 A192 I196	D42-R194 IonicContact OD1-NH2 3.89Å; D42-R194 IonicContact OD2-CZ 3.34Å; D42-R194 IonicContact OD2-NH1 3.87Å; D42-R194 IonicContact OD2-NH2 2.81Å; D42-R194 PolarHBondContact OD2-NH2 2.92Å; W49-R194 HydrophobicContact CD2-CG 4Å; W49-R194 HydrophobicContact CG-CG 4.42Å; W49-R194 HydrophobicContact CH2-CG 4.35Å; W49-R194 HydrophobicContact CZ2-CG 3.8Å; A192-R194 PolarHBondContact O-N 2.92Å; R194-I196 HydrophobicContact CB-CG1 4.43Å; R194-I196 PolarHBondContact O-N 2.88Å
195	N	59.1	Low	74.1	Confident	123 Å²	123	67.2 Å²	67.2	66%	0.658	37%	0.369	S	S	*	.			trans	-73.9	81.3	163.7	-77.5	-37.6	0	0	0	107.6	E193 P197	E193-N195 PolarHBondContact O-N 3.28Å; N195-P197 VanDerWaalsContact O-CD 3.24Å; N195-P197 WeakPolarHBondContact O-CD 3.25Å
196	I	51.9	Low	73.3	Confident	90 Å²	90	71.1 Å²	71.1	46%	0.462	39%	0.39	S	S	.	.			trans	-59.9	122.3	165.6	-50.6	167	0	0	0	105.1	D36 R194 T198	D36-I196 VanDerWaalsContact OD1-CD1 3.23Å; D36-I196 WeakPolarHBondContact OD1-CD1 3.4Å; R194-I196 HydrophobicContact CB-CG1 4.43Å; R194-I196 PolarHBondContact O-N 2.88Å; I196-T198 PolarHBondContact O-N 2.66Å
197	P	44.8	Very low	72.6	Confident	84 Å²	84	74.7 Å²	74.7	55%	0.545	41%	0.405	S	S	.	.			trans	-63.2	87.8	166	-11.4	25.6	0	0	0	106.5	E54 N195 E199	E54-P197 WeakPolarHBondContact OE1-CG 3.21Å; E54-P197 WeakPolarHBondContact OE2-CD 3.14Å; E54-P197 WeakPolarHBondContact OE2-CG 3.32Å; N195-P197 VanDerWaalsContact O-CD 3.24Å; N195-P197 WeakPolarHBondContact O-CD 3.25Å; P197-E199 VanDerWaalsContact C-N 3.35Å; P197-E199 PolarHBondContact O-N 2.82Å; P197-E199 VanDerWaalsContact O-N 3.17Å
198	T	44.4	Very low	72.1	Confident	101 Å²	101	77.5 Å²	77.5	62%	0.62	42%	0.424	S	S	*	.			trans	-71	107.6	157.7	-54.5	0	0	0	0	102.1	I196 P200	I196-T198 PolarHBondContact O-N 2.66Å; T198-P200 VanDerWaalsContact O-N 3.08Å
199	E	51.4	Low	71.4	Confident	170 Å²	170	78.5 Å²	78.5	79%	0.794	43%	0.431	S	S	*	.			trans	-43.2	127.2	163.6	-73	-156.2	146.7	0	0	106.5	P197 T201	P197-E199 VanDerWaalsContact C-N 3.35Å; P197-E199 PolarHBondContact O-N 2.82Å; P197-E199 VanDerWaalsContact O-N 3.17Å; E199-T201 VanDerWaalsContact C-N 3.31Å; E199-T201 PolarHBondContact O-N 3.24Å
200	P	53.9	Low	70.7	Confident	124 Å²	124	84.7 Å²	84.7	81%	0.805	46%	0.458	S	S	*	.			trans	-56	104.6	-173.4	21.3	-31.3	0	0	0	106.8	T198 A202	T198-P200 VanDerWaalsContact O-N 3.08Å; P200-A202 PolarHBondContact O-N 3.49Å
201	T	61.7	Low	70.1	Confident	67 Å²	67	89.5 Å²	89.5	41%	0.411	48%	0.48	S	S	.	.			trans	-62.3	112.2	178.6	-62.9	0	0	0	0	104	E199 D203 D205 L206	E199-T201 VanDerWaalsContact C-N 3.31Å; E199-T201 PolarHBondContact O-N 3.24Å; T201-D203 PolarHBondContact O-N 2.82Å; T201-D205 HydrophobicContact CG2-CB 3.41Å; T201-D205 VanDerWaalsContact CG2-CB 3.41Å; T201-L206 HydrophobicContact CG2-CD2 3.91Å; T201-L206 HydrophobicContact CG2-CG 4.13Å
202	A	68	Low	69.6	Low	43 Å²	43	85.7 Å²	85.7	36%	0.355	46%	0.46	S	S	.	.			trans	-49.9	141.4	-172.8	0	0	0	0	0	108.9	P200 V204 D205 L206	P200-A202 PolarHBondContact O-N 3.49Å; A202-V204 CarbonylContact O-C 3.54Å; A202-V204 PolarHBondContact O-N 2.97Å; A202-D205 WeakPolarHBondContact O-CA 3.47Å; A202-D205 WeakPolarHBondContact O-CB 3.43Å; A202-D205 PolarHBondContact O-N 2.93Å; A202-L206 PolarHBondContact O-N 3.42Å
203	D	74.1	Confident	69.2	Low	133 Å²	133	84.8 Å²	84.8	71%	0.711	45%	0.452	S	S	*	.	H	α-helix	trans	-52.3	-25.8	-178.5	-69.2	-35.8	0	0	0	112.3	T201 L206 K207	T201-D203 PolarHBondContact O-N 2.82Å; D203-L206 PolarHBondContact O-N 3.38Å; D203-K207 WeakPolarHBondContact O-CG 3.37Å
204	V	77.1	Confident	69.2	Low	16 Å²	16	78.9 Å²	78.9	10%	0.097	43%	0.425	C	S	.	.	H	α-helix	trans	-64.3	-38.7	174.2	-168.3	0	0	0	0	113.2	A202 L206 K207 C212 T215 Y216 M219	A202-V204 CarbonylContact O-C 3.54Å; A202-V204 PolarHBondContact O-N 2.97Å; V204-L206 VanDerWaalsContact C-N 3.29Å; V204-L206 PolarHBondContact O-N 3.08Å; V204-K207 WeakPolarHBondContact O-CB 3.2Å; V204-K207 PolarHBondContact O-N 3.38Å; V204-C212 WeakPolarHBondContact O-CB 3.17Å; V204-C212 PolarHBondContact O-SG 2.79Å; V204-T215 HydrophobicContact CB-CG2 4.37Å; V204-T215 HydrophobicContact CG1-CG2 3.55Å; V204-T215 HydrophobicContact CG2-CG2 3.91Å; V204-Y216 HydrophobicContact CB-CE2 3.97Å; V204-Y216 HydrophobicContact CG1-CD1 4.42Å; V204-Y216 HydrophobicContact CG1-CD2 3.63Å; V204-Y216 HydrophobicContact CG1-CE1 4.22Å; V204-Y216 HydrophobicContact CG1-CE2 3.38Å; V204-Y216 HydrophobicContact CG1-CG 4.15Å; V204-M219 HydrophobicContact CG2-CE 3.78Å
205	D	76	Confident	69.5	Low	40 Å²	40	76.6 Å²	76.6	21%	0.214	42%	0.42	C	S	.	.	H	α-helix	trans	-72.6	-22.7	178.3	-74.6	-14.2	0	0	0	112.5	T201 A202 Y216 K239 L244	T201-D205 HydrophobicContact CG2-CB 3.41Å; T201-D205 VanDerWaalsContact CG2-CB 3.41Å; A202-D205 WeakPolarHBondContact O-CA 3.47Å; A202-D205 WeakPolarHBondContact O-CB 3.43Å; A202-D205 PolarHBondContact O-N 2.93Å; D205-Y216 WeakPolarHBondContact OD1-CE2 3.48Å; D205-Y216 PolarHBondContact OD1-OH 2.98Å; D205-K239 PolarHBondContact O-NZ 3.46Å; D205-L244 HydrophobicContact CB-CD2 4.13Å; D205-L244 WeakPolarHBondContact OD1-CD2 3.46Å
206	L	76.9	Confident	70.6	Confident	123 Å²	123	71.4 Å²	71.4	64%	0.644	39%	0.391	S	S	*	.	H	α-helix	trans	-79.8	-20.5	175	-62.4	175.7	0	0	0	113	T201 A202 D203 V204	T201-L206 HydrophobicContact CG2-CD2 3.91Å; T201-L206 HydrophobicContact CG2-CG 4.13Å; A202-L206 PolarHBondContact O-N 3.42Å; D203-L206 PolarHBondContact O-N 3.38Å; V204-L206 VanDerWaalsContact C-N 3.29Å; V204-L206 PolarHBondContact O-N 3.08Å
207	K	79.3	Confident	71.8	Confident	76 Å²	76	67.2 Å²	67.2	33%	0.33	37%	0.37	S	S	.	.	S	Bend	trans	-63.7	155.6	180	-67.2	-178.3	-171	176.9	0	112.1	D203 V204 E211 C212 T215 K239	D203-K207 WeakPolarHBondContact O-CG 3.37Å; V204-K207 WeakPolarHBondContact O-CB 3.2Å; V204-K207 PolarHBondContact O-N 3.38Å; K207-E211 HydrophobicContact CB-CB 3.91Å; K207-E211 HydrophobicContact CD-CB 4.26Å; K207-C212 HydrophobicContact CB-CB 4.3Å; K207-T215 PolarHBondContact NZ-OG1 2.74Å; K207-K239 PolarHBondContact O-NZ 2.87Å
208	P	82.4	Confident	73.3	Confident	77 Å²	77	69.2 Å²	69.2	50%	0.5	37%	0.37	S	S	.	.			trans	-49.6	144.7	170.4	-24.4	32.3	0	0	0	111.3	K210 E211 C212	P208-K210 PolarHBondContact O-N 3.44Å; P208-E211 WeakPolarHBondContact O-CA 3.19Å; P208-E211 PolarHBondContact O-N 2.96Å; P208-C212 PolarHBondContact O-N 3.25Å
209	S	80.2	Confident	74.9	Confident	21 Å²	21	69.2 Å²	69.2	15%	0.147	36%	0.364	C	S	.	.	H	α-helix	trans	-50.1	-34	-173.3	-53.8	0	0	0	0	114.2	E213	S209-E213 WeakPolarHBondContact O-CB 3.37Å; S209-E213 PolarHBondContact O-N 3.15Å; S209-E213 VanDerWaalsContact O-N 3.12Å
210	K	78.2	Confident	75.9	Confident	135 Å²	135	66.4 Å²	66.4	59%	0.587	35%	0.347	S	S	*	.	H	α-helix	trans	-65.4	-43.8	175	-179	177.3	-178.7	-173.9	0	113.1	P208 L214	P208-K210 PolarHBondContact O-N 3.44Å; K210-L214 VanDerWaalsContact O-CB 3.25Å; K210-L214 WeakPolarHBondContact O-CB 3.42Å; K210-L214 PolarHBondContact O-N 2.98Å; K210-L214 VanDerWaalsContact O-N 3.14Å
211	E	80.6	Confident	76.6	Confident	101 Å²	101	61.1 Å²	61.1	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-79.3	-33.2	-178.3	-72.9	174.7	-144.5	0	0	112	K207 P208 T215	K207-E211 HydrophobicContact CB-CB 3.91Å; K207-E211 HydrophobicContact CD-CB 4.26Å; P208-E211 WeakPolarHBondContact O-CA 3.19Å; P208-E211 PolarHBondContact O-N 2.96Å; E211-T215 VanDerWaalsContact O-CB 3.23Å; E211-T215 WeakPolarHBondContact O-CB 3.48Å; E211-T215 PolarHBondContact O-N 3.38Å; E211-T215 PolarHBondContact O-OG1 2.96Å
212	C	80	Confident	77	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-56.1	173.1	177.5	0	0	0	0	110.6	V204 K207 P208 L214 T215 Y216 K239	V204-C212 WeakPolarHBondContact O-CB 3.17Å; V204-C212 PolarHBondContact O-SG 2.79Å; K207-C212 HydrophobicContact CB-CB 4.3Å; P208-C212 PolarHBondContact O-N 3.25Å; C212-L214 PolarHBondContact O-N 2.84Å; C212-T215 PolarHBondContact O-N 3.3Å; C212-Y216 VanDerWaalsContact O-CD2 3.3Å; C212-Y216 WeakPolarHBondContact O-CD2 3.45Å; C212-Y216 PolarHBondContact O-N 3.16Å; C212-K239 PolarHBondContact SG-NZ 2.98Å
213	E	78.2	Confident	77.1	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.019	34%	0.342	C	S	.	.	H	α-helix	trans	-54.7	-51.5	174.7	-176.8	-178.3	-151.8	0	0	110.4	S209 T215 Y216 V217 I227 R232 L248 R251	S209-E213 WeakPolarHBondContact O-CB 3.37Å; S209-E213 PolarHBondContact O-N 3.15Å; S209-E213 VanDerWaalsContact O-N 3.12Å; E213-T215 VanDerWaalsContact C-N 3.32Å; E213-T215 PolarHBondContact O-N 2.86Å; E213-Y216 PolarHBondContact O-N 3.49Å; E213-V217 HydrophobicContact CG-CG2 4.2Å; E213-V217 WeakPolarHBondContact O-CG2 3.35Å; E213-V217 PolarHBondContact O-N 2.95Å; E213-I227 HydrophobicContact CG-CG2 4.33Å; E213-R232 WeakPolarHBondContact OE2-CD 3.34Å; E213-R232 IonicContact OE2-CZ 3.8Å; E213-R232 IonicContact OE2-NE 2.83Å; E213-R232 PolarHBondContact OE2-NE 3.14Å; E213-R232 IonicContact OE2-NH2 3.84Å; E213-L248 HydrophobicContact CB-CD2 4.13Å; E213-L248 HydrophobicContact CG-CD2 4.16Å; E213-R251 IonicContact OE1-CZ 3.37Å; E213-R251 IonicContact OE1-NE 2.83Å; E213-R251 PolarHBondContact OE1-NE 3.27Å; E213-R251 IonicContact OE1-NH2 3.03Å; E213-R251 PolarHBondContact OE1-NH2 3.13Å; E213-R251 IonicContact OE2-NH2 3.79Å
214	L	80.8	Confident	77	Confident	53 Å²	53	71.1 Å²	71.1	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-58.2	-41.2	179.8	-178	72.5	0	0	0	113.3	K210 C212 K218 V225 I227	K210-L214 VanDerWaalsContact O-CB 3.25Å; K210-L214 WeakPolarHBondContact O-CB 3.42Å; K210-L214 PolarHBondContact O-N 2.98Å; K210-L214 VanDerWaalsContact O-N 3.14Å; C212-L214 PolarHBondContact O-N 2.84Å; L214-K218 HydrophobicContact CG-CD 4.32Å; L214-K218 WeakPolarHBondContact O-CB 3.44Å; L214-K218 VanDerWaalsContact O-CG 3.28Å; L214-K218 WeakPolarHBondContact O-CG 3.47Å; L214-K218 PolarHBondContact O-N 3.49Å; L214-V225 HydrophobicContact CD1-CG1 4.03Å; L214-I227 HydrophobicContact CD1-CD1 3.4Å; L214-I227 VanDerWaalsContact CD1-CD1 3.4Å; L214-I227 HydrophobicContact CD1-CG1 4.4Å
215	T	81.5	Confident	76.6	Confident	27 Å²	27	73.3 Å²	73.3	17%	0.166	36%	0.36	C	S	.	.	H	α-helix	trans	-68	-44.2	-179	-57.6	0	0	0	0	110.1	V204 K207 E211 C212 E213 K218 M219	V204-T215 HydrophobicContact CB-CG2 4.37Å; V204-T215 HydrophobicContact CG1-CG2 3.55Å; V204-T215 HydrophobicContact CG2-CG2 3.91Å; K207-T215 PolarHBondContact NZ-OG1 2.74Å; E211-T215 VanDerWaalsContact O-CB 3.23Å; E211-T215 WeakPolarHBondContact O-CB 3.48Å; E211-T215 PolarHBondContact O-N 3.38Å; E211-T215 PolarHBondContact O-OG1 2.96Å; C212-T215 PolarHBondContact O-N 3.3Å; E213-T215 VanDerWaalsContact C-N 3.32Å; E213-T215 PolarHBondContact O-N 2.86Å; T215-K218 PolarHBondContact O-N 2.9Å; T215-M219 HydrophobicContact CG2-CE 3.91Å; T215-M219 HydrophobicContact CG2-SD 4.42Å; T215-M219 WeakPolarHBondContact O-CG 3.45Å; T215-M219 PolarHBondContact O-N 2.8Å
216	Y	80.6	Confident	76.2	Confident	15 Å²	15	77.7 Å²	77.7	6%	0.059	38%	0.377	C	S	.	.	H	α-helix	trans	-63.9	-43	174.5	-79.8	-62.4	0	0	0	112.4	V204 D205 C212 E213 K218 M219 Y220 H245 L248	V204-Y216 HydrophobicContact CB-CE2 3.97Å; V204-Y216 HydrophobicContact CG1-CD1 4.42Å; V204-Y216 HydrophobicContact CG1-CD2 3.63Å; V204-Y216 HydrophobicContact CG1-CE1 4.22Å; V204-Y216 HydrophobicContact CG1-CE2 3.38Å; V204-Y216 HydrophobicContact CG1-CG 4.15Å; D205-Y216 WeakPolarHBondContact OD1-CE2 3.48Å; D205-Y216 PolarHBondContact OD1-OH 2.98Å; C212-Y216 VanDerWaalsContact O-CD2 3.3Å; C212-Y216 WeakPolarHBondContact O-CD2 3.45Å; C212-Y216 PolarHBondContact O-N 3.16Å; E213-Y216 PolarHBondContact O-N 3.49Å; Y216-K218 VanDerWaalsContact C-N 3.26Å; Y216-K218 PolarHBondContact O-N 2.87Å; Y216-M219 HydrophobicContact CD1-SD 4.17Å; Y216-M219 HydrophobicContact CE1-SD 4.44Å; Y216-M219 PolarHBondContact O-N 2.79Å; Y216-M219 VanDerWaalsContact O-N 3.11Å; Y216-Y220 HydrophobicContact CD1-CE2 4.07Å; Y216-Y220 WeakPolarHBondContact O-CD2 3.48Å; Y216-Y220 PolarHBondContact O-N 2.8Å; Y216-H245 AromaticContact CE1-CE1 3.65Å; Y216-H245 AromaticContact CZ-CE1 3.94Å; Y216-L248 HydrophobicContact CD2-CD1 3.44Å; Y216-L248 VanDerWaalsContact CD2-CD1 3.44Å; Y216-L248 HydrophobicContact CE2-CD1 3.93Å; Y216-L248 HydrophobicContact CG-CD1 4.02Å
217	V	77	Confident	75.8	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.012	36%	0.362	C	S	.	.	H	α-helix	trans	-56.8	-44.6	175.2	-172.7	0	0	0	0	110	E213 M219 Y220 Q221 V225 F252	E213-V217 HydrophobicContact CG-CG2 4.2Å; E213-V217 WeakPolarHBondContact O-CG2 3.35Å; E213-V217 PolarHBondContact O-N 2.95Å; V217-M219 VanDerWaalsContact C-N 3.3Å; V217-M219 PolarHBondContact O-N 2.8Å; V217-Y220 PolarHBondContact O-N 3.02Å; V217-Q221 HydrophobicContact CG1-CB 4.17Å; V217-Q221 WeakPolarHBondContact O-CB 3.45Å; V217-Q221 PolarHBondContact O-N 3.12Å; V217-V225 HydrophobicContact CB-CG1 4.24Å; V217-V225 HydrophobicContact CG1-CG1 3.68Å; V217-F252 HydrophobicContact CB-CE1 3.86Å; V217-F252 HydrophobicContact CB-CZ 4.43Å; V217-F252 HydrophobicContact CG1-CE1 4.15Å; V217-F252 HydrophobicContact CG2-CD1 4.41Å; V217-F252 HydrophobicContact CG2-CE1 3.37Å; V217-F252 HydrophobicContact CG2-CZ 3.97Å
218	K	77.8	Confident	75.4	Confident	125 Å²	125	72 Å²	72	54%	0.543	35%	0.351	S	S	.	.	H	α-helix	trans	-66.8	-28.5	179.7	-77.5	177.7	176.8	-174.1	0	113.8	L214 T215 Y216 V225	L214-K218 HydrophobicContact CG-CD 4.32Å; L214-K218 WeakPolarHBondContact O-CB 3.44Å; L214-K218 VanDerWaalsContact O-CG 3.28Å; L214-K218 WeakPolarHBondContact O-CG 3.47Å; L214-K218 PolarHBondContact O-N 3.49Å; T215-K218 PolarHBondContact O-N 2.9Å; Y216-K218 VanDerWaalsContact C-N 3.26Å; Y216-K218 PolarHBondContact O-N 2.87Å; K218-V225 HydrophobicContact CG-CG2 3.99Å
219	M	76.9	Confident	74.8	Confident	102 Å²	102	73.3 Å²	73.3	50%	0.502	37%	0.368	S	S	.	.	H	α-helix	trans	-70.2	-35	177	-74.3	171.6	168.2	0	0	111.7	V204 T215 Y216 V217	V204-M219 HydrophobicContact CG2-CE 3.78Å; T215-M219 HydrophobicContact CG2-CE 3.91Å; T215-M219 HydrophobicContact CG2-SD 4.42Å; T215-M219 WeakPolarHBondContact O-CG 3.45Å; T215-M219 PolarHBondContact O-N 2.8Å; Y216-M219 HydrophobicContact CD1-SD 4.17Å; Y216-M219 HydrophobicContact CE1-SD 4.44Å; Y216-M219 PolarHBondContact O-N 2.79Å; Y216-M219 VanDerWaalsContact O-N 3.11Å; V217-M219 VanDerWaalsContact C-N 3.3Å; V217-M219 PolarHBondContact O-N 2.8Å
220	Y	72.4	Confident	74.3	Confident	110 Å²	110	77.1 Å²	77.1	43%	0.431	38%	0.383	S	S	.	.	H	α-helix	trans	-107.7	-13.8	-173.1	-60.9	-67.4	0	0	0	114.7	Y216 V217 F260	Y216-Y220 HydrophobicContact CD1-CE2 4.07Å; Y216-Y220 WeakPolarHBondContact O-CD2 3.48Å; Y216-Y220 PolarHBondContact O-N 2.8Å; V217-Y220 PolarHBondContact O-N 3.02Å; Y220-F260 HydrophobicContact CD1-CD1 4.32Å; Y220-F260 AromaticContact CD1-CE1 3.43Å; Y220-F260 HydrophobicContact CD1-CE1 3.43Å; Y220-F260 VanDerWaalsContact CD1-CE1 3.43Å; Y220-F260 AromaticContact CD1-CZ 3.93Å; Y220-F260 HydrophobicContact CD1-CZ 3.93Å; Y220-F260 AromaticContact CD2-CE1 3.92Å; Y220-F260 HydrophobicContact CD2-CE1 3.92Å; Y220-F260 AromaticContact CD2-CZ 3.72Å; Y220-F260 HydrophobicContact CD2-CZ 3.72Å; Y220-F260 AromaticContact CE1-CE1 3.81Å; Y220-F260 HydrophobicContact CE1-CE1 3.81Å; Y220-F260 HydrophobicContact CE2-CE1 4.24Å; Y220-F260 HydrophobicContact CE2-CZ 4.37Å; Y220-F260 AromaticContact CG-CE1 3.49Å; Y220-F260 HydrophobicContact CG-CE1 3.49Å; Y220-F260 VanDerWaalsContact CG-CE1 3.49Å; Y220-F260 AromaticContact CG-CZ 3.47Å; Y220-F260 HydrophobicContact CG-CZ 3.47Å; Y220-F260 VanDerWaalsContact CG-CZ 3.47Å
221	Q	69.5	Low	74	Confident	14 Å²	14	74.7 Å²	74.7	7%	0.065	38%	0.377	C	S	.	.			trans	-106.6	108.2	178.2	-165.7	175.3	17.5	0	0	111.2	V217 S223 K224 V225 L257	V217-Q221 HydrophobicContact CG1-CB 4.17Å; V217-Q221 WeakPolarHBondContact O-CB 3.45Å; V217-Q221 PolarHBondContact O-N 3.12Å; Q221-S223 VanDerWaalsContact C-N 3.27Å; Q221-S223 WeakPolarHBondContact CG-OG 3.26Å; Q221-S223 PolarHBondContact NE2-OG 2.92Å; Q221-S223 VanDerWaalsContact NE2-OG 3.13Å; Q221-S223 PolarHBondContact O-N 3.24Å; Q221-K224 PolarHBondContact NE2-O 3.11Å; Q221-V225 VanDerWaalsContact OE1-CA 3.25Å; Q221-L257 HydrophobicContact CG-CD2 4.1Å
222	H	68.8	Low	73.7	Confident	187 Å²	187	73.5 Å²	73.5	87%	0.866	37%	0.368	S	S	*	.			trans	-82	-1.8	175.5	-60.5	-67.8	0	0	0	114.1
223	S	70.7	Confident	73.6	Confident	76 Å²	76	80.3 Å²	80.3	53%	0.531	40%	0.398	S	S	.	.	S	Bend	trans	-107.4	-175.8	178.3	72.2	0	0	0	0	112.2	Q221 V225	Q221-S223 VanDerWaalsContact C-N 3.27Å; Q221-S223 WeakPolarHBondContact CG-OG 3.26Å; Q221-S223 PolarHBondContact NE2-OG 2.92Å; Q221-S223 VanDerWaalsContact NE2-OG 3.13Å; Q221-S223 PolarHBondContact O-N 3.24Å; S223-V225 PolarHBondContact O-N 3.27Å; S223-V225 VanDerWaalsContact O-N 3.12Å
224	K	71.3	Confident	73.6	Confident	190 Å²	190	87.2 Å²	87.2	83%	0.826	43%	0.425	S	S	*	.	S	Bend	trans	-48.9	121.7	171.7	-67.9	-176.7	-178.9	177.6	0	110.8	Q221 K226	Q221-K224 PolarHBondContact NE2-O 3.11Å; K224-K226 PolarHBondContact O-N 3.37Å
225	V	69	Low	73.5	Confident	62 Å²	62	84.7 Å²	84.7	38%	0.376	41%	0.411	S	S	.	.			trans	-59.9	117.1	-175.4	-177.8	0	0	0	0	110.2	L214 V217 K218 Q221 S223 I227	L214-V225 HydrophobicContact CD1-CG1 4.03Å; V217-V225 HydrophobicContact CB-CG1 4.24Å; V217-V225 HydrophobicContact CG1-CG1 3.68Å; K218-V225 HydrophobicContact CG-CG2 3.99Å; Q221-V225 VanDerWaalsContact OE1-CA 3.25Å; S223-V225 PolarHBondContact O-N 3.27Å; S223-V225 VanDerWaalsContact O-N 3.12Å; V225-I227 HydrophobicContact CG1-CD1 4.1Å; V225-I227 HydrophobicContact CG1-CG1 3.73Å
226	K	68.7	Low	73.5	Confident	131 Å²	131	92.6 Å²	92.6	57%	0.57	44%	0.438	S	S	*	.			trans	-106.7	120.8	171.8	-67.3	-178.8	-176.2	176.3	0	108.1	K224	K224-K226 PolarHBondContact O-N 3.37Å
227	I	68.5	Low	73.6	Confident	63 Å²	63	96.7 Å²	96.7	32%	0.323	46%	0.458	S	S	.	.			trans	-114.5	137.9	-178.8	-50.9	174.2	0	0	0	107.7	E213 L214 V225 A229	E213-I227 HydrophobicContact CG-CG2 4.33Å; L214-I227 HydrophobicContact CD1-CD1 3.4Å; L214-I227 VanDerWaalsContact CD1-CD1 3.4Å; L214-I227 HydrophobicContact CD1-CG1 4.4Å; V225-I227 HydrophobicContact CG1-CD1 4.1Å; V225-I227 HydrophobicContact CG1-CG1 3.73Å; I227-A229 PolarHBondContact O-N 2.73Å
228	N	69.6	Low	73.8	Confident	17 Å²	17	96.7 Å²	96.7	9%	0.091	46%	0.458	C	S	.	.			trans	-62.4	128.7	175.1	-169.3	-12.9	0	0	0	109.7	E230 R251 Q254 V255	N228-E230 PolarHBondContact O-N 3.04Å; N228-E230 WeakPolarHBondContact OD1-CB 3.48Å; N228-E230 VanDerWaalsContact OD1-CG 3.29Å; N228-E230 WeakPolarHBondContact OD1-CG 3.36Å; N228-E230 PolarHBondContact OD1-N 3.34Å; N228-R251 HydrophobicContact CB-CB 4.48Å; N228-Q254 PolarHBondContact ND2-OE1 2.97Å; N228-V255 HydrophobicContact CB-CG1 3.69Å
229	A	71.4	Confident	73.9	Confident	105 Å²	105	93.7 Å²	93.7	87%	0.868	45%	0.445	S	S	*	.			trans	-77.8	-9.2	-179.8	0	0	0	0	0	113	I227	I227-A229 PolarHBondContact O-N 2.73Å
230	E	69.4	Low	73.8	Confident	100 Å²	100	91.1 Å²	91.1	47%	0.467	45%	0.445	S	S	.	.	S	Bend	trans	-64.8	155.1	179.8	-72.3	-176.7	-179.3	0	0	113.8	N228 R232 R251 Q254	N228-E230 PolarHBondContact O-N 3.04Å; N228-E230 WeakPolarHBondContact OD1-CB 3.48Å; N228-E230 VanDerWaalsContact OD1-CG 3.29Å; N228-E230 WeakPolarHBondContact OD1-CG 3.36Å; N228-E230 PolarHBondContact OD1-N 3.34Å; E230-R232 PolarHBondContact O-N 3.43Å; E230-R251 PolarHBondContact O-NH2 3.47Å; E230-Q254 PolarHBondContact OE1-OE1 3.26Å; E230-Q254 PolarHBondContact OE2-OE1 3.19Å; E230-Q254 VanDerWaalsContact OE2-OE1 3.13Å
231	D	71.7	Confident	74	Confident	84 Å²	84	91.5 Å²	91.5	45%	0.449	45%	0.45	S	S	.	.			trans	-56.3	127.1	-175.9	-164.7	10.4	0	0	0	111.7	K233 R251	D231-K233 PolarHBondContact O-N 2.95Å; D231-K233 WeakPolarHBondContact OD2-CD 3.31Å; D231-K233 WeakPolarHBondContact OD2-CE 3.42Å; D231-K233 VanDerWaalsContact OD2-CG 3.27Å; D231-K233 WeakPolarHBondContact OD2-CG 3.39Å; D231-K233 IonicContact OD2-NZ 2.73Å; D231-K233 PolarHBondContact OD2-NZ 3.08Å; D231-R251 PolarHBondContact O-NH1 2.94Å
232	R	74.5	Confident	74.3	Confident	77 Å²	77	94.2 Å²	94.2	29%	0.291	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	7.4	-175.3	-63	-176.5	178.9	111.3	8.7	113.1	E213 E230 Y234 V235 R236	E213-R232 WeakPolarHBondContact OE2-CD 3.34Å; E213-R232 IonicContact OE2-CZ 3.8Å; E213-R232 IonicContact OE2-NE 2.83Å; E213-R232 PolarHBondContact OE2-NE 3.14Å; E213-R232 IonicContact OE2-NH2 3.84Å; E230-R232 PolarHBondContact O-N 3.43Å; R232-Y234 PolarHBondContact O-N 3.36Å; R232-V235 PolarHBondContact O-N 3.28Å; R232-R236 PolarHBondContact O-N 2.94Å; R232-R236 VanDerWaalsContact O-N 3.14Å
233	K	78	Confident	75	Confident	143 Å²	143	87.5 Å²	87.5	62%	0.622	45%	0.453	S	S	*	.	H	α-helix	trans	-55.5	-40.9	176	-75	-176.5	-165.7	132	0	111.2	D231 V235 R236 Q237	D231-K233 PolarHBondContact O-N 2.95Å; D231-K233 WeakPolarHBondContact OD2-CD 3.31Å; D231-K233 WeakPolarHBondContact OD2-CE 3.42Å; D231-K233 VanDerWaalsContact OD2-CG 3.27Å; D231-K233 WeakPolarHBondContact OD2-CG 3.39Å; D231-K233 IonicContact OD2-NZ 2.73Å; D231-K233 PolarHBondContact OD2-NZ 3.08Å; K233-V235 PolarHBondContact O-N 3Å; K233-R236 WeakPolarHBondContact O-CB 3.25Å; K233-R236 PolarHBondContact O-N 2.83Å; K233-R236 VanDerWaalsContact O-N 3.16Å; K233-Q237 PolarHBondContact O-N 2.73Å
234	Y	77.4	Confident	75.6	Confident	148 Å²	148	84.5 Å²	84.5	58%	0.58	43%	0.431	S	S	*	.	H	α-helix	trans	-63.8	-41.1	178.1	-58.5	-70.9	0	0	0	112.6	R232 R236 Q237 A238	R232-Y234 PolarHBondContact O-N 3.36Å; Y234-R236 VanDerWaalsContact C-N 3.28Å; Y234-R236 PolarHBondContact O-N 2.87Å; Y234-Q237 PolarHBondContact O-N 2.77Å; Y234-Q237 VanDerWaalsContact O-N 3.17Å; Y234-A238 VanDerWaalsContact O-CB 3.27Å; Y234-A238 WeakPolarHBondContact O-CB 3.43Å; Y234-A238 PolarHBondContact O-N 2.81Å
235	V	79.8	Confident	76	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-62	-38.7	174.5	-177.4	0	0	0	0	111	R232 K233 A238 K239 L244 V247 L248	R232-V235 PolarHBondContact O-N 3.28Å; K233-V235 PolarHBondContact O-N 3Å; V235-A238 PolarHBondContact O-N 3Å; V235-K239 WeakPolarHBondContact O-CG 3.47Å; V235-K239 PolarHBondContact O-N 3.49Å; V235-L244 HydrophobicContact CG1-CD1 3.8Å; V235-V247 HydrophobicContact CG2-CG1 4.33Å; V235-L248 HydrophobicContact CG1-CD2 4.41Å
236	R	80.9	Confident	76.5	Confident	194 Å²	194	83.3 Å²	83.3	73%	0.732	42%	0.424	S	S	*	.	H	α-helix	trans	-68.1	-37.6	176.2	-172.1	-179.3	179.9	-173.4	0.4	112.4	R232 K233 Y234	R232-R236 PolarHBondContact O-N 2.94Å; R232-R236 VanDerWaalsContact O-N 3.14Å; K233-R236 WeakPolarHBondContact O-CB 3.25Å; K233-R236 PolarHBondContact O-N 2.83Å; K233-R236 VanDerWaalsContact O-N 3.16Å; Y234-R236 VanDerWaalsContact C-N 3.28Å; Y234-R236 PolarHBondContact O-N 2.87Å
237	Q	82.1	Confident	77.2	Confident	101 Å²	101	78.6 Å²	78.6	47%	0.472	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-43	175.3	-178.2	172.5	-2.7	0	0	110.7	K233 Y234 K239 G240 E241	K233-Q237 PolarHBondContact O-N 2.73Å; Y234-Q237 PolarHBondContact O-N 2.77Å; Y234-Q237 VanDerWaalsContact O-N 3.17Å; Q237-K239 VanDerWaalsContact C-N 3.3Å; Q237-K239 PolarHBondContact O-N 2.82Å; Q237-G240 WeakPolarHBondContact O-CA 3.22Å; Q237-G240 PolarHBondContact O-N 3.24Å; Q237-E241 HydrophobicContact CG-CG 4.43Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.46Å; Q237-E241 PolarHBondContact NE2-OE1 2.95Å; Q237-E241 PolarHBondContact O-N 3.49Å
238	A	81.5	Confident	77.9	Confident	2 Å²	2	75.7 Å²	75.7	2%	0.017	39%	0.391	C	S	.	.	H	α-helix	trans	-64.1	-32.7	-178.1	0	0	0	0	0	113.8	Y234 V235 G240 E241 G242 N243 V247	Y234-A238 VanDerWaalsContact O-CB 3.27Å; Y234-A238 WeakPolarHBondContact O-CB 3.43Å; Y234-A238 PolarHBondContact O-N 2.81Å; V235-A238 PolarHBondContact O-N 3Å; A238-G240 PolarHBondContact O-N 3.47Å; A238-E241 PolarHBondContact O-N 2.89Å; A238-G242 PolarHBondContact O-N 2.79Å; A238-N243 WeakPolarHBondContact CA-OD1 3.45Å; A238-N243 VanDerWaalsContact CB-OD1 3.26Å; A238-N243 WeakPolarHBondContact CB-OD1 3.28Å; A238-N243 PolarHBondContact O-N 2.89Å; A238-N243 PolarHBondContact O-OD1 3.43Å; A238-V247 HydrophobicContact CB-CB 3.91Å; A238-V247 HydrophobicContact CB-CG1 4.27Å; A238-V247 HydrophobicContact CB-CG2 3.7Å
239	K	79.6	Confident	78.3	Confident	62 Å²	62	78.7 Å²	78.7	27%	0.27	41%	0.407	S	S	.	.	H	α-helix	trans	-57.7	-28.1	168.9	-74.1	-178.3	-178.6	-123	0	113.5	D205 K207 C212 V235 Q237 L244	D205-K239 PolarHBondContact O-NZ 3.46Å; K207-K239 PolarHBondContact O-NZ 2.87Å; C212-K239 PolarHBondContact SG-NZ 2.98Å; V235-K239 WeakPolarHBondContact O-CG 3.47Å; V235-K239 PolarHBondContact O-N 3.49Å; Q237-K239 VanDerWaalsContact C-N 3.3Å; Q237-K239 PolarHBondContact O-N 2.82Å; K239-L244 HydrophobicContact CG-CD1 3.88Å; K239-L244 HydrophobicContact CG-CD2 4.02Å; K239-L244 HydrophobicContact CG-CG 4.45Å
240	G	74.7	Confident	78.7	Confident	48 Å²	48	78 Å²	78	50%	0.495	39%	0.388	S	S	.	.	H	α-helix	trans	-89.5	-30.2	178.9	0	0	0	0	0	113.8	Q237 A238	Q237-G240 WeakPolarHBondContact O-CA 3.22Å; Q237-G240 PolarHBondContact O-N 3.24Å; A238-G240 PolarHBondContact O-N 3.47Å
241	E	77.8	Confident	79	Confident	117 Å²	117	73.6 Å²	73.6	55%	0.547	37%	0.368	S	S	.	.	H	α-helix	trans	-91.9	-15.7	-174.2	-70.2	173.2	-177.5	0	0	113.3	Q237 A238	Q237-E241 HydrophobicContact CG-CG 4.43Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.46Å; Q237-E241 PolarHBondContact NE2-OE1 2.95Å; Q237-E241 PolarHBondContact O-N 3.49Å; A238-E241 PolarHBondContact O-N 2.89Å
242	G	75.9	Confident	79	Confident	72 Å²	72	70.2 Å²	70.2	74%	0.742	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	2.8	178.3	0	0	0	0	0	114.4	A238	A238-G242 PolarHBondContact O-N 2.79Å
243	N	83.3	Confident	78.8	Confident	45 Å²	45	71.1 Å²	71.1	24%	0.241	36%	0.363	C	S	.	.			trans	-101.9	27.9	178.1	60.7	-9	0	0	0	112.6	A238 H245 E246 V247	A238-N243 WeakPolarHBondContact CA-OD1 3.45Å; A238-N243 VanDerWaalsContact CB-OD1 3.26Å; A238-N243 WeakPolarHBondContact CB-OD1 3.28Å; A238-N243 PolarHBondContact O-N 2.89Å; A238-N243 PolarHBondContact O-OD1 3.43Å; N243-H245 PolarHBondContact O-N 2.86Å; N243-E246 PolarHBondContact O-N 3.03Å; N243-V247 WeakPolarHBondContact O-CG2 3.48Å; N243-V247 PolarHBondContact O-N 2.95Å; N243-V247 VanDerWaalsContact O-N 3.09Å
244	L	81.6	Confident	78.2	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-56.6	-47.1	-178	175.7	63	0	0	0	112.4	D205 V235 K239 V247 L248	D205-L244 HydrophobicContact CB-CD2 4.13Å; D205-L244 WeakPolarHBondContact OD1-CD2 3.46Å; V235-L244 HydrophobicContact CG1-CD1 3.8Å; K239-L244 HydrophobicContact CG-CD1 3.88Å; K239-L244 HydrophobicContact CG-CD2 4.02Å; K239-L244 HydrophobicContact CG-CG 4.45Å; L244-V247 PolarHBondContact O-N 3.15Å; L244-L248 HydrophobicContact CD1-CD1 4.05Å; L244-L248 HydrophobicContact CD1-CG 4.11Å; L244-L248 HydrophobicContact CG-CD1 3.98Å; L244-L248 HydrophobicContact CG-CG 4.42Å; L244-L248 VanDerWaalsContact O-CG 3.31Å; L244-L248 WeakPolarHBondContact O-CG 3.43Å; L244-L248 PolarHBondContact O-N 3.35Å
245	H	80	Confident	77.6	Confident	89 Å²	89	63.2 Å²	63.2	41%	0.412	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-37.1	-175.7	-124.5	69.4	0	0	0	111.9	Y216 N243 L248 L249	Y216-H245 AromaticContact CE1-CE1 3.65Å; Y216-H245 AromaticContact CZ-CE1 3.94Å; N243-H245 PolarHBondContact O-N 2.86Å; H245-L248 PolarHBondContact O-N 2.93Å; H245-L249 WeakPolarHBondContact O-CB 3.03Å; H245-L249 VanDerWaalsContact O-CG 3.25Å; H245-L249 WeakPolarHBondContact O-CG 3.26Å; H245-L249 PolarHBondContact O-N 3.47Å
246	E	80.7	Confident	76.7	Confident	138 Å²	138	65.7 Å²	65.7	65%	0.645	36%	0.361	S	S	*	.	H	α-helix	trans	-62.5	-46.5	174.3	-61	176.4	-171.7	0	0	111.5	N243 L248 L249 D250	N243-E246 PolarHBondContact O-N 3.03Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 2.88Å; E246-L249 WeakPolarHBondContact O-CB 3.45Å; E246-L249 PolarHBondContact O-N 2.76Å; E246-D250 PolarHBondContact O-N 3.23Å
247	V	83.1	Confident	75.4	Confident	32 Å²	32	58.1 Å²	58.1	19%	0.194	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-35.6	177.9	172.2	0	0	0	0	111.6	V235 A238 N243 L244 R251	V235-V247 HydrophobicContact CG2-CG1 4.33Å; A238-V247 HydrophobicContact CB-CB 3.91Å; A238-V247 HydrophobicContact CB-CG1 4.27Å; A238-V247 HydrophobicContact CB-CG2 3.7Å; N243-V247 WeakPolarHBondContact O-CG2 3.48Å; N243-V247 PolarHBondContact O-N 2.95Å; N243-V247 VanDerWaalsContact O-N 3.09Å; L244-V247 PolarHBondContact O-N 3.15Å; V247-R251 VanDerWaalsContact O-CG 3.24Å; V247-R251 WeakPolarHBondContact O-CG 3.2Å; V247-R251 PolarHBondContact O-N 3.49Å
248	L	82.4	Confident	74	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-66.4	-43.4	173.7	-73	174.6	0	0	0	111.3	E213 Y216 V235 L244 H245 E246 R251 F252	E213-L248 HydrophobicContact CB-CD2 4.13Å; E213-L248 HydrophobicContact CG-CD2 4.16Å; Y216-L248 HydrophobicContact CD2-CD1 3.44Å; Y216-L248 VanDerWaalsContact CD2-CD1 3.44Å; Y216-L248 HydrophobicContact CE2-CD1 3.93Å; Y216-L248 HydrophobicContact CG-CD1 4.02Å; V235-L248 HydrophobicContact CG1-CD2 4.41Å; L244-L248 HydrophobicContact CD1-CD1 4.05Å; L244-L248 HydrophobicContact CD1-CG 4.11Å; L244-L248 HydrophobicContact CG-CD1 3.98Å; L244-L248 HydrophobicContact CG-CG 4.42Å; L244-L248 VanDerWaalsContact O-CG 3.31Å; L244-L248 WeakPolarHBondContact O-CG 3.43Å; L244-L248 PolarHBondContact O-N 3.35Å; H245-L248 PolarHBondContact O-N 2.93Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 2.88Å; L248-R251 PolarHBondContact O-N 3.42Å; L248-F252 VanDerWaalsContact C-CD2 3.48Å; L248-F252 HydrophobicContact CB-CD2 4.41Å; L248-F252 HydrophobicContact CB-CE2 3.93Å; L248-F252 WeakPolarHBondContact O-CD2 3.4Å; L248-F252 VanDerWaalsContact O-CG 3.28Å; L248-F252 WeakPolarHBondContact O-CG 3.3Å; L248-F252 PolarHBondContact O-N 2.6Å
249	L	78.2	Confident	72.4	Confident	79 Å²	79	65 Å²	65	41%	0.414	38%	0.384	S	S	.	.	H	α-helix	trans	-57.9	-47.8	175.8	-74.1	168.4	0	0	0	111.9	H245 E246 R251 F252 V253	H245-L249 WeakPolarHBondContact O-CB 3.03Å; H245-L249 VanDerWaalsContact O-CG 3.25Å; H245-L249 WeakPolarHBondContact O-CG 3.26Å; H245-L249 PolarHBondContact O-N 3.47Å; E246-L249 WeakPolarHBondContact O-CB 3.45Å; E246-L249 PolarHBondContact O-N 2.76Å; L249-R251 VanDerWaalsContact C-N 3.32Å; L249-R251 PolarHBondContact O-N 3.13Å; L249-F252 WeakPolarHBondContact O-CB 3.47Å; L249-F252 PolarHBondContact O-N 2.76Å; L249-F252 VanDerWaalsContact O-N 3.09Å; L249-V253 WeakPolarHBondContact O-CG2 3.09Å; L249-V253 PolarHBondContact O-N 2.99Å
250	D	79.2	Confident	70.9	Confident	90 Å²	90	66.3 Å²	66.3	48%	0.481	39%	0.39	S	S	.	.	H	α-helix	trans	-59.8	-43.5	177.7	-171	72.7	0	0	0	111.6	E246 F252 V253 Q254	E246-D250 PolarHBondContact O-N 3.23Å; D250-F252 VanDerWaalsContact C-N 3.28Å; D250-F252 PolarHBondContact O-N 3.29Å; D250-V253 PolarHBondContact O-N 3.4Å; D250-Q254 WeakPolarHBondContact O-CG 2.87Å; D250-Q254 PolarHBondContact O-N 3.26Å; D250-Q254 PolarHBondContact OD2-NE2 2.93Å
251	R	76.4	Confident	69.3	Low	9 Å²	9	68.4 Å²	68.4	3%	0.034	40%	0.397	C	S	.	.	H	α-helix	trans	-65.3	-30.4	176.7	-69.3	175.3	73.4	86.1	-0.3	112.9	E213 N228 E230 D231 V247 L248 L249 V255	E213-R251 IonicContact OE1-CZ 3.37Å; E213-R251 IonicContact OE1-NE 2.83Å; E213-R251 PolarHBondContact OE1-NE 3.27Å; E213-R251 IonicContact OE1-NH2 3.03Å; E213-R251 PolarHBondContact OE1-NH2 3.13Å; E213-R251 IonicContact OE2-NH2 3.79Å; N228-R251 HydrophobicContact CB-CB 4.48Å; E230-R251 PolarHBondContact O-NH2 3.47Å; D231-R251 PolarHBondContact O-NH1 2.94Å; V247-R251 VanDerWaalsContact O-CG 3.24Å; V247-R251 WeakPolarHBondContact O-CG 3.2Å; V247-R251 PolarHBondContact O-N 3.49Å; L248-R251 PolarHBondContact O-N 3.42Å; L249-R251 VanDerWaalsContact C-N 3.32Å; L249-R251 PolarHBondContact O-N 3.13Å; R251-V255 PolarHBondContact O-N 3.13Å
252	F	72.6	Confident	67.4	Low	13 Å²	13	68.8 Å²	68.8	6%	0.057	41%	0.41	C	S	.	.	H	α-helix	trans	-70.4	-41.4	173.6	-70.1	-51.5	0	0	0	112.2	V217 L248 L249 D250 Q254 V255 L257 F260	V217-F252 HydrophobicContact CB-CE1 3.86Å; V217-F252 HydrophobicContact CB-CZ 4.43Å; V217-F252 HydrophobicContact CG1-CE1 4.15Å; V217-F252 HydrophobicContact CG2-CD1 4.41Å; V217-F252 HydrophobicContact CG2-CE1 3.37Å; V217-F252 HydrophobicContact CG2-CZ 3.97Å; L248-F252 VanDerWaalsContact C-CD2 3.48Å; L248-F252 HydrophobicContact CB-CD2 4.41Å; L248-F252 HydrophobicContact CB-CE2 3.93Å; L248-F252 WeakPolarHBondContact O-CD2 3.4Å; L248-F252 VanDerWaalsContact O-CG 3.28Å; L248-F252 WeakPolarHBondContact O-CG 3.3Å; L248-F252 PolarHBondContact O-N 2.6Å; L249-F252 WeakPolarHBondContact O-CB 3.47Å; L249-F252 PolarHBondContact O-N 2.76Å; L249-F252 VanDerWaalsContact O-N 3.09Å; D250-F252 VanDerWaalsContact C-N 3.28Å; D250-F252 PolarHBondContact O-N 3.29Å; F252-Q254 VanDerWaalsContact C-N 3.31Å; F252-Q254 PolarHBondContact O-N 2.62Å; F252-V255 WeakPolarHBondContact O-CG2 3.28Å; F252-V255 PolarHBondContact O-N 3.17Å; F252-L257 HydrophobicContact CB-CD1 4.37Å; F252-L257 HydrophobicContact CD1-CD1 3.82Å; F252-L257 HydrophobicContact CG-CD1 4.5Å; F252-L257 WeakPolarHBondContact O-CB 3.16Å; F252-L257 PolarHBondContact O-N 3.42Å; F252-F260 HydrophobicContact CD2-CE2 4.35Å; F252-F260 HydrophobicContact CD2-CZ 4.39Å
253	V	69	Low	65.5	Low	95 Å²	95	71.3 Å²	71.3	58%	0.576	41%	0.411	S	S	*	.	H	α-helix	trans	-61.1	-43.1	175.7	173.5	0	0	0	0	110.3	L249 D250 V255 G256	L249-V253 WeakPolarHBondContact O-CG2 3.09Å; L249-V253 PolarHBondContact O-N 2.99Å; D250-V253 PolarHBondContact O-N 3.4Å; V253-V255 VanDerWaalsContact C-N 3.26Å; V253-V255 PolarHBondContact O-N 3.03Å; V253-G256 PolarHBondContact O-N 3.34Å
254	Q	65.1	Low	63	Low	92 Å²	92	73.2 Å²	73.2	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-61.5	-29	178.8	-70.4	179.5	6.6	0	0	114	N228 E230 D250 F252 G256	N228-Q254 PolarHBondContact ND2-OE1 2.97Å; E230-Q254 PolarHBondContact OE1-OE1 3.26Å; E230-Q254 PolarHBondContact OE2-OE1 3.19Å; E230-Q254 VanDerWaalsContact OE2-OE1 3.13Å; D250-Q254 WeakPolarHBondContact O-CG 2.87Å; D250-Q254 PolarHBondContact O-N 3.26Å; D250-Q254 PolarHBondContact OD2-NE2 2.93Å; F252-Q254 VanDerWaalsContact C-N 3.31Å; F252-Q254 PolarHBondContact O-N 2.62Å; Q254-G256 VanDerWaalsContact C-N 3.26Å; Q254-G256 PolarHBondContact O-N 3.17Å
255	V	66.3	Low	60.7	Low	33 Å²	33	86 Å²	86	20%	0.2	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	9.1	175.3	-64.1	0	0	0	0	113.8	N228 R251 F252 V253 L257	N228-V255 HydrophobicContact CB-CG1 3.69Å; R251-V255 PolarHBondContact O-N 3.13Å; F252-V255 WeakPolarHBondContact O-CG2 3.28Å; F252-V255 PolarHBondContact O-N 3.17Å; V253-V255 VanDerWaalsContact C-N 3.26Å; V253-V255 PolarHBondContact O-N 3.03Å; V255-L257 HydrophobicContact CG2-CD1 3.68Å; V255-L257 HydrophobicContact CG2-CG 4.07Å
256	G	59.2	Low	59.8	Low	53 Å²	53	85.8 Å²	85.8	55%	0.546	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	27.8	175.4	0	0	0	0	0	114	V253 Q254 T258	V253-G256 PolarHBondContact O-N 3.34Å; Q254-G256 VanDerWaalsContact C-N 3.26Å; Q254-G256 PolarHBondContact O-N 3.17Å; G256-T258 PolarHBondContact O-N 3.41Å
257	L	55.6	Low	58.7	Low	35 Å²	35	83.1 Å²	83.1	18%	0.183	48%	0.483	C	S	.	.			trans	-87.8	88	172	-70.7	163	0	0	0	109	Q221 F252 V255	Q221-L257 HydrophobicContact CG-CD2 4.1Å; F252-L257 HydrophobicContact CB-CD1 4.37Å; F252-L257 HydrophobicContact CD1-CD1 3.82Å; F252-L257 HydrophobicContact CG-CD1 4.5Å; F252-L257 WeakPolarHBondContact O-CB 3.16Å; F252-L257 PolarHBondContact O-N 3.42Å; V255-L257 HydrophobicContact CG2-CD1 3.68Å; V255-L257 HydrophobicContact CG2-CG 4.07Å
258	T	51.2	Low	57.3	Low	124 Å²	124	85.9 Å²	85.9	76%	0.761	50%	0.499	S	S	*	.			trans	-96.9	9.3	-178.3	51.1	0	0	0	0	114.3	G256	G256-T258 PolarHBondContact O-N 3.41Å
259	T	47.6	Very low	55.8	Low	124 Å²	124	90.8 Å²	90.8	76%	0.761	53%	0.528	S	S	*	.			trans	-120.8	76	178.8	60.6	0	0	0	0	110.9
260	F	48.8	Very low	54.4	Low	88 Å²	88	91.6 Å²	91.6	39%	0.386	54%	0.535	S	S	.	.			trans	-90	105	157.4	-99.7	-95.9	0	0	0	107.3	Y220 F252 P262	Y220-F260 HydrophobicContact CD1-CD1 4.32Å; Y220-F260 AromaticContact CD1-CE1 3.43Å; Y220-F260 HydrophobicContact CD1-CE1 3.43Å; Y220-F260 VanDerWaalsContact CD1-CE1 3.43Å; Y220-F260 AromaticContact CD1-CZ 3.93Å; Y220-F260 HydrophobicContact CD1-CZ 3.93Å; Y220-F260 AromaticContact CD2-CE1 3.92Å; Y220-F260 HydrophobicContact CD2-CE1 3.92Å; Y220-F260 AromaticContact CD2-CZ 3.72Å; Y220-F260 HydrophobicContact CD2-CZ 3.72Å; Y220-F260 AromaticContact CE1-CE1 3.81Å; Y220-F260 HydrophobicContact CE1-CE1 3.81Å; Y220-F260 HydrophobicContact CE2-CE1 4.24Å; Y220-F260 HydrophobicContact CE2-CZ 4.37Å; Y220-F260 AromaticContact CG-CE1 3.49Å; Y220-F260 HydrophobicContact CG-CE1 3.49Å; Y220-F260 VanDerWaalsContact CG-CE1 3.49Å; Y220-F260 AromaticContact CG-CZ 3.47Å; Y220-F260 HydrophobicContact CG-CZ 3.47Å; Y220-F260 VanDerWaalsContact CG-CZ 3.47Å; F252-F260 HydrophobicContact CD2-CE2 4.35Å; F252-F260 HydrophobicContact CD2-CZ 4.39Å; F260-P262 WeakPolarHBondContact O-CD 3.16Å
261	S	40.5	Very low	52.8	Low	93 Å²	93	91.7 Å²	91.7	65%	0.65	54%	0.539	S	S	*	.			trans	-75.6	117.5	161.2	-175.7	0	0	0	0	106.4	V263	S261-V263 VanDerWaalsContact C-N 3.33Å; S261-V263 PolarHBondContact O-N 3.44Å
262	P	38.1	Very low	51.1	Low	124 Å²	124	97.6 Å²	97.6	81%	0.805	58%	0.575	S	S	*	*			trans	-71.7	96.4	172.7	29.2	-28.7	0	0	0	106.8	F260	F260-P262 WeakPolarHBondContact O-CD 3.16Å
263	V	37.7	Very low	49.4	Very low	126 Å²	126	104.1 Å²	104.1	76%	0.764	62%	0.615	S	S	*	*			trans	-84.9	115	164	-176.9	0	0	0	0	106.4	S261	S261-V263 VanDerWaalsContact C-N 3.33Å; S261-V263 PolarHBondContact O-N 3.44Å
264	A	29.8	Very low	47.8	Very low	84 Å²	84	104.8 Å²	104.8	69%	0.694	62%	0.618	S	S	*	*			trans	-49.8	135.4	177.1	0	0	0	0	0	113
265	F	33.8	Very low	46.2	Very low	282 Å²	282	106 Å²	106	100%	1.237	64%	0.635	S	S	*	*			trans	-121.2	0	137.5	-94.9	-83.6	0	0	0	107.2

Retrieved 265 of 265 residues in 394.4 ms (Link to these results)

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