A0A087Y780_POEFO Loading...

Phytanoyl-CoA dioxygenase, peroxisomal

AlphaFold DB , UniProt , Accession A0A087Y780, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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	53.4	Low	59.6	Low	222 Å²	222	128.1 Å²	128.1	100%	1.094	64%	0.639	S	S	*	*				0	134.5	0	-72.6	-173.2	-108.6	0	0	107.8
2	S	64.9	Low	59.2	Low	81 Å²	81	124.8 Å²	124.8	57%	0.566	62%	0.624	S	S	*	*			trans	-71.5	148.3	-168.6	85.3	0	0	0	0	111.8	A4 A5	S2-A4 PolarHBondContact O-N 2.92Å; S2-A5 WeakPolarHBondContact O-CB 3.46Å; S2-A5 PolarHBondContact O-N 2.68Å
3	R	54.9	Low	58.6	Low	205 Å²	205	127.6 Å²	127.6	77%	0.774	63%	0.633	S	S	*	*	H	α-helix	trans	-54.3	-14.8	177.6	-140.5	175.8	-173.8	-174.1	1.8	113.9	R7	R3-R7 WeakPolarHBondContact O-CG 3.47Å
4	A	60.4	Low	58.3	Low	66 Å²	66	129.4 Å²	129.4	55%	0.545	64%	0.639	S	S	.	*	H	α-helix	trans	-79.3	-31.6	174.6	0	0	0	0	0	113	S2 R7 L8	S2-A4 PolarHBondContact O-N 2.92Å; A4-R7 PolarHBondContact O-N 2.74Å; A4-L8 PolarHBondContact O-N 2.86Å; A4-L8 VanDerWaalsContact O-N 3.1Å
5	A	62.3	Low	57.9	Low	50 Å²	50	129.7 Å²	129.7	41%	0.413	64%	0.643	S	S	.	*	H	α-helix	trans	-72.6	-33.4	-179.4	0	0	0	0	0	112.7	S2 R9	S2-A5 WeakPolarHBondContact O-CB 3.46Å; S2-A5 PolarHBondContact O-N 2.68Å; A5-R9 PolarHBondContact O-N 3.15Å
6	E	60.9	Low	57.6	Low	140 Å²	140	130.8 Å²	130.8	65%	0.654	65%	0.651	S	S	*	*	H	α-helix	trans	-69.4	-41.4	172.7	-81.9	176.2	155.6	0	0	111.9	L8 R9 T10	E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 2.9Å; E6-R9 PolarHBondContact O-N 3.06Å; E6-T10 PolarHBondContact O-N 2.77Å; E6-T10 VanDerWaalsContact O-N 3.08Å; E6-T10 PolarHBondContact O-OG1 2.73Å; E6-T10 VanDerWaalsContact O-OG1 3.12Å
7	R	63.3	Low	56.7	Low	182 Å²	182	126.9 Å²	126.9	69%	0.687	65%	0.653	S	S	*	*	H	α-helix	trans	-63.2	-38.7	176.9	-74.8	179.7	166.6	-166.4	-5	112.4	R3 A4 T10 V11	R3-R7 WeakPolarHBondContact O-CG 3.47Å; A4-R7 PolarHBondContact O-N 2.74Å; R7-T10 PolarHBondContact O-N 2.69Å; R7-V11 WeakPolarHBondContact O-CG2 3.16Å; R7-V11 PolarHBondContact O-N 3.44Å
8	L	58.5	Low	56	Low	111 Å²	111	124.8 Å²	124.8	58%	0.581	66%	0.658	S	S	*	*	H	α-helix	trans	-68.7	-37.4	177.4	-166.4	68.6	0	0	0	112	A4 E6 V11 I12	A4-L8 PolarHBondContact O-N 2.86Å; A4-L8 VanDerWaalsContact O-N 3.1Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 2.9Å; L8-V11 PolarHBondContact O-N 3.23Å; L8-I12 HydrophobicContact CG-CD1 4.07Å; L8-I12 WeakPolarHBondContact O-CG1 3.38Å; L8-I12 PolarHBondContact O-N 3.11Å
9	R	57.6	Low	55.7	Low	185 Å²	185	126.4 Å²	126.4	70%	0.698	67%	0.673	S	S	*	*	H	α-helix	trans	-64.3	-40.4	174	-83.8	-175.4	-175.1	174.3	2	112.6	A5 E6 V11 I12 H13	A5-R9 PolarHBondContact O-N 3.15Å; E6-R9 PolarHBondContact O-N 3.06Å; R9-V11 VanDerWaalsContact C-N 3.34Å; R9-I12 PolarHBondContact O-N 3.45Å; R9-H13 WeakPolarHBondContact O-CB 3.46Å; R9-H13 PolarHBondContact O-N 3.47Å; R9-H13 VanDerWaalsContact O-N 3.08Å
10	T	60.2	Low	55.1	Low	82 Å²	82	124.4 Å²	124.4	50%	0.503	68%	0.675	S	S	.	*	H	α-helix	trans	-63.8	-39.4	176.6	-53.4	0	0	0	0	112	E6 R7 H14	E6-T10 PolarHBondContact O-N 2.77Å; E6-T10 VanDerWaalsContact O-N 3.08Å; E6-T10 PolarHBondContact O-OG1 2.73Å; E6-T10 VanDerWaalsContact O-OG1 3.12Å; R7-T10 PolarHBondContact O-N 2.69Å; T10-H14 PolarHBondContact O-CD2 3.12Å
11	V	59.3	Low	54.4	Low	85 Å²	85	124 Å²	124	52%	0.515	68%	0.681	S	S	.	*	H	α-helix	trans	-69.1	-42	178.7	174.1	0	0	0	0	111.7	R7 L8 R9 H13 H14 L15	R7-V11 WeakPolarHBondContact O-CG2 3.16Å; R7-V11 PolarHBondContact O-N 3.44Å; L8-V11 PolarHBondContact O-N 3.23Å; R9-V11 VanDerWaalsContact C-N 3.34Å; V11-H13 VanDerWaalsContact C-N 3.32Å; V11-H13 PolarHBondContact O-N 3.47Å; V11-H14 PolarHBondContact O-N 2.95Å; V11-L15 HydrophobicContact CG1-CD1 4.3Å
12	I	55.2	Low	53.8	Low	88 Å²	88	121.1 Å²	121.1	45%	0.451	67%	0.669	S	S	.	*	H	α-helix	trans	-65.4	-37	178.3	-68.5	169	0	0	0	111.1	L8 R9 H14 L15 D16	L8-I12 HydrophobicContact CG-CD1 4.07Å; L8-I12 WeakPolarHBondContact O-CG1 3.38Å; L8-I12 PolarHBondContact O-N 3.11Å; R9-I12 PolarHBondContact O-N 3.45Å; I12-H14 PolarHBondContact O-N 3.05Å; I12-L15 PolarHBondContact O-N 2.81Å; I12-L15 VanDerWaalsContact O-N 3.1Å; I12-D16 PolarHBondContact O-N 2.93Å
13	H	50.9	Low	52.5	Low	162 Å²	162	128.3 Å²	128.3	75%	0.75	68%	0.683	S	S	*	*	H	α-helix	trans	-66.8	-19.6	178.7	-129.9	-61	0	0	0	114.3	R9 V11	R9-H13 WeakPolarHBondContact O-CB 3.46Å; R9-H13 PolarHBondContact O-N 3.47Å; R9-H13 VanDerWaalsContact O-N 3.08Å; V11-H13 VanDerWaalsContact C-N 3.32Å; V11-H13 PolarHBondContact O-N 3.47Å
14	H	54.4	Low	51.8	Low	153 Å²	153	123 Å²	123	71%	0.708	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-11.5	175.1	-74	-52.2	0	0	0	113.7	T10 V11 I12	T10-H14 PolarHBondContact O-CD2 3.12Å; V11-H14 PolarHBondContact O-N 2.95Å; I12-H14 PolarHBondContact O-N 3.05Å
15	L	51.7	Low	50.9	Low	134 Å²	134	124.6 Å²	124.6	70%	0.702	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-23.3	-178.2	-67.2	171.6	0	0	0	113.2	V11 I12	V11-L15 HydrophobicContact CG1-CD1 4.3Å; I12-L15 PolarHBondContact O-N 2.81Å; I12-L15 VanDerWaalsContact O-N 3.1Å
16	D	52.9	Low	49.9	Very low	146 Å²	146	128.3 Å²	128.3	78%	0.781	71%	0.71	S	S	*	*			trans	-101.5	35.8	-179.3	-79.3	-27.6	0	0	0	114.2	I12	I12-D16 PolarHBondContact O-N 2.93Å
17	G	43.1	Very low	49	Very low	66 Å²	66	127.9 Å²	127.9	68%	0.68	72%	0.718	S	S	*	*			trans	-90.5	110.5	172.1	0	0	0	0	0	112.1
18	A	43.4	Very low	48.3	Very low	89 Å²	89	124.7 Å²	124.7	74%	0.736	72%	0.723	S	S	*	*			trans	-16.7	143.9	170.9	0	0	0	0	0	118.2	A20	A18-A20 VanDerWaalsContact C-N 3.34Å; A18-A20 PolarHBondContact O-N 2.89Å
19	T	50.6	Low	47.4	Very low	155 Å²	155	123.3 Å²	123.3	95%	0.951	73%	0.728	S	S	*	*			trans	-47.8	88.1	170.3	46	0	0	0	0	112.6
20	A	43.4	Very low	46.7	Very low	85 Å²	85	123 Å²	123	70%	0.702	73%	0.734	S	S	*	*			trans	-87.8	124.2	163.3	0	0	0	0	0	107.4	A18 I22	A18-A20 VanDerWaalsContact C-N 3.34Å; A18-A20 PolarHBondContact O-N 2.89Å; A20-I22 PolarHBondContact O-N 3.1Å
21	S	40.8	Very low	45.7	Very low	117 Å²	117	125 Å²	125	82%	0.818	75%	0.746	S	S	*	*			trans	-59.7	111.4	173.5	50.5	0	0	0	0	109.5	R23	S21-R23 PolarHBondContact O-N 3.46Å
22	I	40.5	Very low	44.8	Very low	162 Å²	162	128.7 Å²	128.7	83%	0.831	76%	0.762	S	S	*	*			trans	-71	97.8	172.5	-57.9	175.9	0	0	0	106.9	A20 A24	A20-I22 PolarHBondContact O-N 3.1Å; I22-A24 PolarHBondContact O-N 3.22Å
23	R	37.4	Very low	44.1	Very low	231 Å²	231	129.7 Å²	129.7	87%	0.872	77%	0.773	S	S	*	*			trans	-75.1	105.6	159.7	-99	-173.2	-179.3	-167	1.5	107.5	S21 S25	S21-R23 PolarHBondContact O-N 3.46Å; R23-S25 PolarHBondContact O-N 3.33Å
24	A	40	Very low	43.8	Very low	93 Å²	93	131.3 Å²	131.3	77%	0.769	77%	0.774	S	S	*	*			trans	-66.8	110.2	165.7	0	0	0	0	0	108.6	I22	I22-A24 PolarHBondContact O-N 3.22Å
25	S	42.2	Very low	43.4	Very low	100 Å²	100	128.2 Å²	128.2	70%	0.699	77%	0.769	S	S	*	*			trans	-82.6	126.7	160.9	-65.7	0	0	0	0	107.3	R23 T27	R23-S25 PolarHBondContact O-N 3.33Å; S25-T27 PolarHBondContact O-N 3.12Å
26	P	40.7	Very low	43.3	Very low	128 Å²	128	126.6 Å²	126.6	83%	0.831	77%	0.767	S	S	*	*			trans	-70.7	99.7	174.1	22.9	-19.8	0	0	0	107.9	S28	P26-S28 PolarHBondContact O-N 3.22Å
27	T	42.7	Very low	43.4	Very low	131 Å²	131	124.6 Å²	124.6	80%	0.804	76%	0.762	S	S	*	*			trans	-65.2	116.2	155.4	22.2	0	0	0	0	106.2	S25 A29	S25-T27 PolarHBondContact O-N 3.12Å; T27-A29 PolarHBondContact O-N 3.47Å
28	S	49.5	Very low	44.4	Very low	115 Å²	115	129.1 Å²	129.1	80%	0.804	77%	0.765	S	S	*	*			trans	-62.6	76	168.1	49.8	0	0	0	0	109.2	P26 Q30	P26-S28 PolarHBondContact O-N 3.22Å; S28-Q30 PolarHBondContact O-N 3.26Å; S28-Q30 VanDerWaalsContact O-N 3.12Å
29	A	39.6	Very low	46.4	Very low	82 Å²	82	134.4 Å²	134.4	68%	0.678	77%	0.772	S	S	*	*			trans	-61.3	109.6	153.1	0	0	0	0	0	104.5	T27 T31	T27-A29 PolarHBondContact O-N 3.47Å; A29-T31 VanDerWaalsContact C-N 3.28Å; A29-T31 PolarHBondContact O-N 2.92Å
30	Q	42.1	Very low	48.6	Very low	178 Å²	178	127.9 Å²	127.9	83%	0.832	73%	0.731	S	S	*	*			trans	-55.7	105	165.8	-74.5	175.7	-11.9	0	0	105.7	S28 L32	S28-Q30 PolarHBondContact O-N 3.26Å; S28-Q30 VanDerWaalsContact O-N 3.12Å; Q30-L32 VanDerWaalsContact C-N 3.25Å; Q30-L32 PolarHBondContact O-N 3.16Å
31	T	38.8	Very low	51.2	Low	124 Å²	124	129.4 Å²	129.4	76%	0.761	72%	0.719	S	S	*	*			trans	-56.6	102.2	164.2	-29.3	0	0	0	0	104.2	A29 T33	A29-T31 VanDerWaalsContact C-N 3.28Å; A29-T31 PolarHBondContact O-N 2.92Å; T31-T33 PolarHBondContact O-N 3.38Å
32	L	41.8	Very low	53.9	Low	163 Å²	163	124.1 Å²	124.1	85%	0.853	68%	0.681	S	S	*	*			trans	-62.7	89.3	164.4	-83.6	161.1	0	0	0	104.6	Q30 Y34	Q30-L32 VanDerWaalsContact C-N 3.25Å; Q30-L32 PolarHBondContact O-N 3.16Å; L32-Y34 VanDerWaalsContact C-N 3.31Å; L32-Y34 PolarHBondContact O-N 3Å
33	T	39.9	Very low	56.6	Low	110 Å²	110	116.6 Å²	116.6	68%	0.675	64%	0.642	S	S	*	*			trans	-55.9	104.9	163.7	42.9	0	0	0	0	105.1	T31 S35	T31-T33 PolarHBondContact O-N 3.38Å; T33-S35 PolarHBondContact O-N 2.95Å
34	Y	44.7	Very low	59.5	Low	196 Å²	196	109.4 Å²	109.4	77%	0.769	62%	0.618	S	S	*	*			trans	-65.1	87.8	166.2	-178.7	-98.1	0	0	0	106.3	L32	L32-Y34 VanDerWaalsContact C-N 3.31Å; L32-Y34 PolarHBondContact O-N 3Å
35	S	45.5	Very low	62.2	Low	87 Å²	87	110.7 Å²	110.7	61%	0.608	61%	0.611	S	S	*	*			trans	-63	127	163.4	-63	0	0	0	0	106.1	T33	T33-S35 PolarHBondContact O-N 2.95Å
36	P	50.5	Low	64.7	Low	101 Å²	101	108.5 Å²	108.5	66%	0.656	59%	0.594	S	S	*	*			trans	-51.5	144	172	22.2	-31.4	0	0	0	108.5	Q38	P36-Q38 PolarHBondContact O-N 3.45Å
37	P	54	Low	67.3	Low	103 Å²	103	105.5 Å²	105.5	67%	0.669	59%	0.586	S	S	*	*			trans	-53	113.2	-176.7	19.5	-30.1	0	0	0	108.2	K39	P37-K39 PolarHBondContact O-N 3.22Å; P37-K39 VanDerWaalsContact O-N 3.08Å
38	Q	64.3	Low	70	Confident	161 Å²	161	102.6 Å²	102.6	75%	0.752	57%	0.565	S	S	*	*			trans	-54.5	121.4	178.4	-174.4	172	0.6	0	0	106.1	P36 L40	P36-Q38 PolarHBondContact O-N 3.45Å; Q38-L40 PolarHBondContact O-N 3.41Å
39	K	86.5	Confident	72.3	Confident	200 Å²	200	97.5 Å²	97.5	87%	0.87	53%	0.529	S	S	*	.			trans	-57.4	106.7	176.3	-177	179	179.9	179.1	0	107	P37 R41	P37-K39 PolarHBondContact O-N 3.22Å; P37-K39 VanDerWaalsContact O-N 3.08Å; K39-R41 PolarHBondContact O-N 2.92Å
40	L	95.6	Very high	75.1	Confident	18 Å²	18	97.1 Å²	97.1	9%	0.094	52%	0.518	C	S	.	.			trans	-65.9	134	-178.9	-60.6	-177.5	0	0	0	108.7	Q38 R54 L55 E58	Q38-L40 PolarHBondContact O-N 3.41Å; L40-R54 HydrophobicContact CD1-CB 3.49Å; L40-R54 VanDerWaalsContact CD1-CB 3.49Å; L40-L55 HydrophobicContact CD2-CD2 3.9Å; L40-E58 HydrophobicContact CD2-CB 4.39Å; L40-E58 HydrophobicContact CD2-CG 4.06Å
41	R	97.2	Very high	77.7	Confident	118 Å²	118	94 Å²	94	45%	0.445	51%	0.507	S	S	.	.	S	Bend	trans	-74.9	-45.6	-173.3	179.1	176.8	170	-174.1	-7.8	110.7	K39 E58 D183 R184	K39-R41 PolarHBondContact O-N 2.92Å; R41-E58 WeakPolarHBondContact CB-OE1 3.43Å; R41-E58 PolarHBondContact N-OE1 3.34Å; R41-E58 PolarHBondContact N-OE2 3.5Å; R41-E58 VanDerWaalsContact N-OE2 3.11Å; R41-D183 WeakPolarHBondContact CG-OD2 3.49Å; R41-D183 IonicContact CZ-OD2 3.35Å; R41-D183 IonicContact NE-OD1 2.8Å; R41-D183 IonicContact NE-OD2 3.08Å; R41-D183 PolarHBondContact NE-OD2 2.81Å; R41-D183 IonicContact NH2-OD1 3.29Å; R41-D183 PolarHBondContact NH2-OD1 3.29Å; R41-D183 IonicContact NH2-OD2 2.7Å; R41-D183 PolarHBondContact NH2-OD2 3.24Å; R41-D183 VanDerWaalsContact NH2-OD2 3.17Å; R41-R184 PolarHBondContact O-NH1 2.95Å; R41-R184 PolarHBondContact O-NH2 3.08Å
42	Y	98.4	Very high	80.5	Confident	6 Å²	6	95.6 Å²	95.6	2%	0.024	51%	0.505	C	S	.	.	S	Bend	trans	-96.5	-4.3	-165.3	-55.4	-69.3	0	0	0	114.3	E58 D183 H209 K210 H255	Y42-E58 HydrophobicContact CD2-CG 4.31Å; Y42-E58 VanDerWaalsContact CD2-OE2 3.29Å; Y42-E58 WeakPolarHBondContact CD2-OE2 3.36Å; Y42-E58 PolarHBondContact N-OE2 3.15Å; Y42-D183 HydrophobicContact CD1-CB 3.98Å; Y42-D183 HydrophobicContact CE1-CB 4.4Å; Y42-D183 WeakPolarHBondContact CE1-OD1 3.03Å; Y42-H209 AromaticContact CD2-CD2 3.94Å; Y42-H209 AromaticContact CD2-NE2 3.51Å; Y42-H209 AromaticContact CE1-CD2 3.94Å; Y42-H209 AromaticContact CE2-CD2 3.63Å; Y42-H209 AromaticContact CE2-NE2 3.26Å; Y42-H209 VanDerWaalsContact CE2-NE2 3.26Å; Y42-H209 WeakPolarHBondContact CE2-NE2 3.41Å; Y42-H209 AromaticContact CZ-CD2 3.62Å; Y42-H209 AromaticContact CZ-NE2 3.75Å; Y42-K210 HydrophobicContact CE2-CG 4.32Å; Y42-H255 AromaticContact CD1-CD2 3.92Å; Y42-H255 AromaticContact CD1-NE2 3.97Å; Y42-H255 AromaticContact CE1-NE2 3.99Å
43	S	98.1	Very high	83.2	Confident	3 Å²	3	90.4 Å²	90.4	2%	0.021	48%	0.477	C	S	.	.			trans	-144.5	140.1	177.2	64.4	0	0	0	0	114.3	R54 C141	S43-R54 PolarHBondContact O-NH2 3.28Å; S43-R54 VanDerWaalsContact O-NH2 3.13Å; S43-R54 PolarHBondContact OG-NE 3.03Å; S43-C141 CarbonylContact C-O 3.57Å; S43-C141 VanDerWaalsContact CA-O 3.25Å; S43-C141 WeakPolarHBondContact CA-O 3.4Å
44	F	97.4	Very high	86	Confident	81 Å²	81	86.3 Å²	86.3	36%	0.355	45%	0.449	S	S	.	.			trans	-81.3	157.2	169.3	-62.9	-68.9	0	0	0	111.8	T46 R54 C141 R184	F44-T46 HydrophobicContact CB-CG2 4.35Å; F44-R54 PolarHBondContact O-NE 3.5Å; F44-C141 PolarHBondContact N-O 3.29Å; F44-R184 VanDerWaalsContact CZ-CZ 3.41Å; F44-R184 VanDerWaalsContact CZ-NE 3.28Å
45	D	96.1	Very high	88.6	Confident	119 Å²	119	81.1 Å²	81.1	64%	0.636	43%	0.434	S	S	*	.			trans	-93.4	97.7	173	-158.5	-18.1	0	0	0	110.2	G47 R54	D45-G47 PolarHBondContact OD1-N 3.24Å; D45-R54 IonicContact OD1-NH1 3.41Å; D45-R54 IonicContact OD2-NH1 3.83Å; D45-R54 PolarHBondContact OD2-NH1 3.34Å
46	T	95.8	Very high	91.1	Very high	55 Å²	55	80.8 Å²	80.8	34%	0.337	42%	0.422	S	S	.	.			trans	-106.4	0.3	179.1	62.6	0	0	0	0	112.4	F44 I48 E140 C141	F44-T46 HydrophobicContact CB-CG2 4.35Å; T46-I48 PolarHBondContact O-N 3.38Å; T46-I48 PolarHBondContact OG1-N 2.95Å; T46-E140 HydrophobicContact CG2-CG 4.36Å; T46-C141 PolarHBondContact OG1-SG 2.7Å
47	G	96	Very high	93.4	Very high	65 Å²	65	76 Å²	76	67%	0.67	39%	0.391	S	S	*	.	S	Bend	trans	74.8	-2.5	-171	0	0	0	0	0	115.5	D45	D45-G47 PolarHBondContact OD1-N 3.24Å
48	I	98.1	Very high	95.5	Very high	69 Å²	69	72.7 Å²	72.7	35%	0.354	37%	0.366	S	S	.	.	S	Bend	trans	-83.3	-43.6	179.8	-61.2	-61.1	0	0	0	112.4	T46 K137 Y138	T46-I48 PolarHBondContact O-N 3.38Å; T46-I48 PolarHBondContact OG1-N 2.95Å; I48-K137 HydrophobicContact CD1-CB 4.45Å; I48-K137 HydrophobicContact CG1-CB 4.49Å; I48-K137 HydrophobicContact CG2-CG 4.35Å; I48-Y138 HydrophobicContact CG2-CD1 3.83Å; I48-Y138 HydrophobicContact CG2-CE1 3.72Å; I48-Y138 HydrophobicContact CG2-CE2 4.5Å; I48-Y138 HydrophobicContact CG2-CG 4.27Å
49	L	97.9	Very high	97.1	Very high	9 Å²	9	70.3 Å²	70.3	5%	0.047	36%	0.355	C	S	.	.	S	Bend	trans	-91.9	136.2	176.6	-67.8	178.3	0	0	0	110.4	Q53 R54 L63 I65 Y138 C141 F142	L49-Q53 HydrophobicContact CB-CB 4.42Å; L49-Q53 HydrophobicContact CD2-CB 4.23Å; L49-R54 HydrophobicContact CB-CG 3.57Å; L49-R54 HydrophobicContact CD1-CG 4.04Å; L49-R54 HydrophobicContact CG-CG 4.47Å; L49-L63 HydrophobicContact CD1-CD2 4.19Å; L49-L63 HydrophobicContact CD2-CD2 3.45Å; L49-L63 VanDerWaalsContact CD2-CD2 3.45Å; L49-L63 HydrophobicContact CG-CD2 4.48Å; L49-I65 HydrophobicContact CD2-CD1 4.46Å; L49-Y138 HydrophobicContact CD2-CD1 3.62Å; L49-Y138 HydrophobicContact CD2-CE1 3.62Å; L49-Y138 HydrophobicContact CG-CD1 4.33Å; L49-C141 HydrophobicContact CD1-CB 3.7Å; L49-C141 HydrophobicContact CG-CB 4.21Å; L49-F142 HydrophobicContact CD1-CE1 4.33Å; L49-F142 HydrophobicContact CD1-CZ 4.08Å
50	T	97.9	Very high	97.7	Very high	74 Å²	74	62.3 Å²	62.3	45%	0.454	32%	0.322	S	S	.	.			trans	-66.8	158.2	170.1	72.3	0	0	0	0	110.5	E52 Q53 R54	T50-E52 PolarHBondContact O-N 3.25Å; T50-Q53 PolarHBondContact O-N 3.4Å; T50-Q53 VanDerWaalsContact O-N 3.14Å; T50-Q53 WeakPolarHBondContact OG1-CG 3.46Å; T50-Q53 PolarHBondContact OG1-N 3.04Å; T50-R54 WeakPolarHBondContact O-CG 3.34Å; T50-R54 PolarHBondContact O-N 3.22Å
51	L	97.1	Very high	97.9	Very high	112 Å²	112	61.5 Å²	61.5	59%	0.586	32%	0.317	S	S	*	.	H	α-helix	trans	-56	-40.4	174.8	179	60.4	0	0	0	111.8	Q53 R54 L55	L51-Q53 PolarHBondContact O-N 3.23Å; L51-R54 PolarHBondContact O-N 3.06Å; L51-L55 HydrophobicContact CD1-CD1 4.16Å; L51-L55 HydrophobicContact CD1-CG 4.12Å; L51-L55 HydrophobicContact CG-CD1 3.92Å; L51-L55 HydrophobicContact CG-CG 4.34Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.05Å
52	E	98	Very high	97.9	Very high	158 Å²	158	56.2 Å²	56.2	74%	0.738	30%	0.298	S	S	*	.	H	α-helix	trans	-60.4	-45.2	176.6	-175.5	-177.3	179.3	0	0	112	T50 R54 L55 F56	T50-E52 PolarHBondContact O-N 3.25Å; E52-R54 VanDerWaalsContact C-N 3.34Å; E52-R54 PolarHBondContact O-N 3.4Å; E52-L55 PolarHBondContact O-N 2.98Å; E52-F56 WeakPolarHBondContact O-CB 3.4Å; E52-F56 PolarHBondContact O-N 3.19Å
53	Q	98.6	Very high	98	Very high	54 Å²	54	56.4 Å²	56.4	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-39.1	177.4	-72.4	173.6	-37.7	0	0	112.2	L49 T50 L51 F56 Y57 L63	L49-Q53 HydrophobicContact CB-CB 4.42Å; L49-Q53 HydrophobicContact CD2-CB 4.23Å; T50-Q53 PolarHBondContact O-N 3.4Å; T50-Q53 VanDerWaalsContact O-N 3.14Å; T50-Q53 WeakPolarHBondContact OG1-CG 3.46Å; T50-Q53 PolarHBondContact OG1-N 3.04Å; L51-Q53 PolarHBondContact O-N 3.23Å; Q53-F56 PolarHBondContact O-N 2.9Å; Q53-Y57 PolarHBondContact O-N 2.99Å; Q53-L63 HydrophobicContact CB-CD1 4.01Å; Q53-L63 HydrophobicContact CB-CD2 4.05Å; Q53-L63 HydrophobicContact CG-CD1 4.12Å
54	R	98.4	Very high	98	Very high	24 Å²	24	58.7 Å²	58.7	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-68.1	-43	177.5	-66.1	175	63	-157.6	1.9	111.6	L40 S43 F44 D45 L49 T50 L51 E52 F56 Y57 E58	L40-R54 HydrophobicContact CD1-CB 3.49Å; L40-R54 VanDerWaalsContact CD1-CB 3.49Å; S43-R54 PolarHBondContact O-NH2 3.28Å; S43-R54 VanDerWaalsContact O-NH2 3.13Å; S43-R54 PolarHBondContact OG-NE 3.03Å; F44-R54 PolarHBondContact O-NE 3.5Å; D45-R54 IonicContact OD1-NH1 3.41Å; D45-R54 IonicContact OD2-NH1 3.83Å; D45-R54 PolarHBondContact OD2-NH1 3.34Å; L49-R54 HydrophobicContact CB-CG 3.57Å; L49-R54 HydrophobicContact CD1-CG 4.04Å; L49-R54 HydrophobicContact CG-CG 4.47Å; T50-R54 WeakPolarHBondContact O-CG 3.34Å; T50-R54 PolarHBondContact O-N 3.22Å; L51-R54 PolarHBondContact O-N 3.06Å; E52-R54 VanDerWaalsContact C-N 3.34Å; E52-R54 PolarHBondContact O-N 3.4Å; R54-F56 VanDerWaalsContact C-N 3.32Å; R54-Y57 PolarHBondContact O-N 2.9Å; R54-E58 WeakPolarHBondContact O-CB 3.31Å; R54-E58 PolarHBondContact O-N 2.93Å
55	L	98.5	Very high	98.1	Very high	87 Å²	87	55.3 Å²	55.3	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-38.9	173.3	-71.8	171.1	0	0	0	111.5	L40 L51 E52 E58 E59	L40-L55 HydrophobicContact CD2-CD2 3.9Å; L51-L55 HydrophobicContact CD1-CD1 4.16Å; L51-L55 HydrophobicContact CD1-CG 4.12Å; L51-L55 HydrophobicContact CG-CD1 3.92Å; L51-L55 HydrophobicContact CG-CG 4.34Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.05Å; E52-L55 PolarHBondContact O-N 2.98Å; L55-E58 PolarHBondContact O-N 3.19Å; L55-E59 PolarHBondContact O-N 3.44Å
56	F	98.7	Very high	98.2	Very high	79 Å²	79	57.2 Å²	57.2	35%	0.346	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-47.2	174.3	-177.1	-86.9	0	0	0	111.4	E52 Q53 R54 E58 E59 N60 F62 L63	E52-F56 WeakPolarHBondContact O-CB 3.4Å; E52-F56 PolarHBondContact O-N 3.19Å; Q53-F56 PolarHBondContact O-N 2.9Å; R54-F56 VanDerWaalsContact C-N 3.32Å; F56-E58 VanDerWaalsContact C-N 3.35Å; F56-E59 PolarHBondContact O-N 3.08Å; F56-N60 HydrophobicContact CD1-CB 4.38Å; F56-N60 WeakPolarHBondContact CD2-ND2 3.47Å; F56-N60 HydrophobicContact CE1-CB 4.03Å; F56-N60 WeakPolarHBondContact CE2-ND2 3.43Å; F56-N60 HydrophobicContact CZ-CB 4.2Å; F56-N60 VanDerWaalsContact O-CB 3.27Å; F56-N60 WeakPolarHBondContact O-CB 3.12Å; F56-N60 PolarHBondContact O-N 3.29Å; F56-N60 PolarHBondContact O-ND2 2.89Å; F56-F62 VanDerWaalsContact CD1-O 3.27Å; F56-F62 WeakPolarHBondContact CD1-O 3.45Å; F56-F62 HydrophobicContact CE1-CD2 4.37Å; F56-F62 HydrophobicContact CE1-CE1 4.25Å; F56-F62 HydrophobicContact CE1-CE2 4.02Å; F56-F62 AromaticContact CE1-CZ 3.94Å; F56-F62 HydrophobicContact CE1-CZ 3.94Å; F56-F62 WeakPolarHBondContact CE1-O 3.22Å; F56-F62 HydrophobicContact CZ-CE1 4.27Å; F56-F62 HydrophobicContact CZ-CE2 4.18Å; F56-F62 AromaticContact CZ-CZ 3.79Å; F56-F62 HydrophobicContact CZ-CZ 3.79Å; F56-L63 HydrophobicContact CD1-CD1 4.05Å
57	Y	98.8	Very high	98.3	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-39.9	176.9	-169.2	-92.9	0	0	0	111.8	Q53 R54 E59 N60 G61 F62 L63 F142 H255	Q53-Y57 PolarHBondContact O-N 2.99Å; R54-Y57 PolarHBondContact O-N 2.9Å; Y57-E59 VanDerWaalsContact C-N 3.28Å; Y57-E59 PolarHBondContact O-N 2.84Å; Y57-N60 PolarHBondContact O-N 2.79Å; Y57-G61 VanDerWaalsContact O-CA 3.28Å; Y57-G61 WeakPolarHBondContact O-CA 3.33Å; Y57-G61 PolarHBondContact O-N 2.8Å; Y57-F62 VanDerWaalsContact CD2-C 3.42Å; Y57-L63 HydrophobicContact CD2-CB 3.81Å; Y57-F142 HydrophobicContact CD1-CD1 4.15Å; Y57-F142 AromaticContact CD1-CE1 3.76Å; Y57-F142 HydrophobicContact CD1-CE1 3.76Å; Y57-F142 AromaticContact CD2-CE1 3.75Å; Y57-F142 HydrophobicContact CD2-CE1 3.75Å; Y57-F142 HydrophobicContact CD2-CZ 4.24Å; Y57-F142 AromaticContact CE1-CD1 3.66Å; Y57-F142 HydrophobicContact CE1-CD1 3.66Å; Y57-F142 AromaticContact CE1-CE1 3.62Å; Y57-F142 HydrophobicContact CE1-CE1 3.62Å; Y57-F142 HydrophobicContact CE2-CD1 4.28Å; Y57-F142 AromaticContact CE2-CE1 3.63Å; Y57-F142 HydrophobicContact CE2-CE1 3.63Å; Y57-F142 HydrophobicContact CE2-CZ 4.1Å; Y57-F142 AromaticContact CG-CE1 3.82Å; Y57-F142 HydrophobicContact CG-CE1 3.82Å; Y57-F142 AromaticContact CZ-CD1 3.74Å; Y57-F142 AromaticContact CZ-CE1 3.56Å; Y57-H255 WeakPolarHBondContact OH-CA 3.3Å; Y57-H255 PolarHBondContact OH-N 3.39Å; Y57-H255 VanDerWaalsContact OH-N 3.13Å
58	E	98.6	Very high	98.4	Very high	33 Å²	33	58.1 Å²	58.1	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-38.5	176.5	-168	80	-179.7	0	0	111.9	L40 R41 Y42 R54 L55 F56 H209 K210	L40-E58 HydrophobicContact CD2-CB 4.39Å; L40-E58 HydrophobicContact CD2-CG 4.06Å; R41-E58 WeakPolarHBondContact CB-OE1 3.43Å; R41-E58 PolarHBondContact N-OE1 3.34Å; R41-E58 PolarHBondContact N-OE2 3.5Å; R41-E58 VanDerWaalsContact N-OE2 3.11Å; Y42-E58 HydrophobicContact CD2-CG 4.31Å; Y42-E58 VanDerWaalsContact CD2-OE2 3.29Å; Y42-E58 WeakPolarHBondContact CD2-OE2 3.36Å; Y42-E58 PolarHBondContact N-OE2 3.15Å; R54-E58 WeakPolarHBondContact O-CB 3.31Å; R54-E58 PolarHBondContact O-N 2.93Å; L55-E58 PolarHBondContact O-N 3.19Å; F56-E58 VanDerWaalsContact C-N 3.35Å; E58-H209 PolarHBondContact O-CE1 3.07Å; E58-H209 PolarHBondContact O-NE2 3.43Å; E58-K210 WeakPolarHBondContact O-CE 3.25Å
59	E	98.4	Very high	98.5	Very high	110 Å²	110	54.8 Å²	54.8	51%	0.514	27%	0.269	S	S	.	.	H	α-helix	trans	-78.6	-43	178.9	-173.1	52.7	-134.1	0	0	112.2	L55 F56 Y57 G207 K210	L55-E59 PolarHBondContact O-N 3.44Å; F56-E59 PolarHBondContact O-N 3.08Å; Y57-E59 VanDerWaalsContact C-N 3.28Å; Y57-E59 PolarHBondContact O-N 2.84Å; E59-G207 VanDerWaalsContact O-CA 3.25Å; E59-G207 WeakPolarHBondContact O-CA 3.34Å; E59-K210 WeakPolarHBondContact O-CE 3.48Å; E59-K210 PolarHBondContact O-NZ 3.46Å; E59-K210 IonicContact OE1-NZ 3.32Å; E59-K210 PolarHBondContact OE1-NZ 3.21Å; E59-K210 IonicContact OE2-NZ 3.98Å; E59-K210 PolarHBondContact OE2-NZ 3.24Å
60	N	98.8	Very high	98.5	Very high	33 Å²	33	56.5 Å²	56.5	18%	0.176	28%	0.282	C	S	.	.	H	α-helix	trans	-105	-24.5	-164.3	-63.4	-81.2	0	0	0	114.1	F56 Y57 F62 P206 G207 L258	F56-N60 HydrophobicContact CD1-CB 4.38Å; F56-N60 WeakPolarHBondContact CD2-ND2 3.47Å; F56-N60 HydrophobicContact CE1-CB 4.03Å; F56-N60 WeakPolarHBondContact CE2-ND2 3.43Å; F56-N60 HydrophobicContact CZ-CB 4.2Å; F56-N60 VanDerWaalsContact O-CB 3.27Å; F56-N60 WeakPolarHBondContact O-CB 3.12Å; F56-N60 PolarHBondContact O-N 3.29Å; F56-N60 PolarHBondContact O-ND2 2.89Å; Y57-N60 PolarHBondContact O-N 2.79Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 HydrophobicContact CB-CD1 3.88Å; N60-F62 HydrophobicContact CB-CE1 3.72Å; N60-P206 HydrophobicContact CB-CB 4.14Å; N60-P206 WeakPolarHBondContact O-CA 3.37Å; N60-P206 WeakPolarHBondContact OD1-CB 3.11Å; N60-G207 PolarHBondContact O-N 3.08Å; N60-L258 VanDerWaalsContact O-CD1 3.3Å; N60-L258 WeakPolarHBondContact O-CD1 3.43Å
61	G	98.7	Very high	98.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	80.5	7.1	-179.9	0	0	0	0	0	115.1	Y57 H209 F254 H255	Y57-G61 VanDerWaalsContact O-CA 3.28Å; Y57-G61 WeakPolarHBondContact O-CA 3.33Å; Y57-G61 PolarHBondContact O-N 2.8Å; G61-H209 WeakPolarHBondContact CA-CE1 3.48Å; G61-H209 VanDerWaalsContact CA-CG 3.42Å; G61-H209 WeakPolarHBondContact CA-ND1 3.45Å; G61-H209 PolarHBondContact N-CE1 2.91Å; G61-H209 PolarHBondContact N-ND1 3.13Å; G61-F254 WeakPolarHBondContact O-CA 3.44Å; G61-H255 PolarHBondContact O-N 2.9Å
62	F	98.9	Very high	98.6	Very high	8 Å²	8	58 Å²	58	4%	0.035	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	162.4	173	74.7	-77.8	0	0	0	111.3	F56 Y57 N60 V204 P206 L242 V252 F253 F254 L258	F56-F62 VanDerWaalsContact CD1-O 3.27Å; F56-F62 WeakPolarHBondContact CD1-O 3.45Å; F56-F62 HydrophobicContact CE1-CD2 4.37Å; F56-F62 HydrophobicContact CE1-CE1 4.25Å; F56-F62 HydrophobicContact CE1-CE2 4.02Å; F56-F62 AromaticContact CE1-CZ 3.94Å; F56-F62 HydrophobicContact CE1-CZ 3.94Å; F56-F62 WeakPolarHBondContact CE1-O 3.22Å; F56-F62 HydrophobicContact CZ-CE1 4.27Å; F56-F62 HydrophobicContact CZ-CE2 4.18Å; F56-F62 AromaticContact CZ-CZ 3.79Å; F56-F62 HydrophobicContact CZ-CZ 3.79Å; Y57-F62 VanDerWaalsContact CD2-C 3.42Å; N60-F62 VanDerWaalsContact C-N 3.31Å; N60-F62 HydrophobicContact CB-CD1 3.88Å; N60-F62 HydrophobicContact CB-CE1 3.72Å; F62-V204 HydrophobicContact CD1-CG2 4Å; F62-V204 HydrophobicContact CE1-CG2 3.78Å; F62-V204 HydrophobicContact CZ-CG2 4.1Å; F62-P206 HydrophobicContact CE1-CB 4.27Å; F62-P206 HydrophobicContact CE1-CG 4.1Å; F62-L242 HydrophobicContact CE2-CD2 4.2Å; F62-L242 HydrophobicContact CZ-CD1 4.01Å; F62-L242 HydrophobicContact CZ-CD2 3.88Å; F62-L242 HydrophobicContact CZ-CG 4.49Å; F62-V252 HydrophobicContact CB-CG2 4.29Å; F62-V252 HydrophobicContact CD2-CG2 4.07Å; F62-F253 CarbonylContact C-O 3.59Å; F62-F253 WeakPolarHBondContact CA-O 3.37Å; F62-F253 WeakPolarHBondContact CB-O 3.21Å; F62-F254 HydrophobicContact CB-CB 3.74Å; F62-L258 HydrophobicContact CB-CD2 3.77Å; F62-L258 HydrophobicContact CD1-CD2 4.26Å; F62-L258 HydrophobicContact CG-CD2 4.36Å
63	L	98.9	Very high	98.6	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.047	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	129.1	175.9	-179.6	68.4	0	0	0	110.3	L49 Q53 F56 Y57 I65 V252 F253	L49-L63 HydrophobicContact CD1-CD2 4.19Å; L49-L63 HydrophobicContact CD2-CD2 3.45Å; L49-L63 VanDerWaalsContact CD2-CD2 3.45Å; L49-L63 HydrophobicContact CG-CD2 4.48Å; Q53-L63 HydrophobicContact CB-CD1 4.01Å; Q53-L63 HydrophobicContact CB-CD2 4.05Å; Q53-L63 HydrophobicContact CG-CD1 4.12Å; F56-L63 HydrophobicContact CD1-CD1 4.05Å; Y57-L63 HydrophobicContact CD2-CB 3.81Å; L63-I65 HydrophobicContact CD2-CD1 3.86Å; L63-I65 HydrophobicContact CG-CD1 3.99Å; L63-V252 CarbonylContact O-C 3.58Å; L63-V252 WeakPolarHBondContact O-CA 3.28Å; L63-F253 PolarHBondContact N-O 3.28Å; L63-F253 PolarHBondContact O-N 3.12Å
64	L	98.8	Very high	98.6	Very high	51 Å²	51	48.9 Å²	48.9	27%	0.267	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.8	176.2	177.8	63.5	0	0	0	110.4	M246 D250 V252	L64-M246 HydrophobicContact CD1-CE 3.83Å; L64-M246 HydrophobicContact CD1-CG 3.86Å; L64-M246 HydrophobicContact CD1-SD 4.12Å; L64-D250 HydrophobicContact CD1-CB 4.14Å; L64-V252 HydrophobicContact CD1-CB 4.26Å
65	I	98.8	Very high	98.6	Very high	10 Å²	10	51.4 Å²	51.4	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.2	171.8	-53.7	-58.7	0	0	0	108.5	L49 L63 L68 Y138 T251 F253	L49-I65 HydrophobicContact CD2-CD1 4.46Å; L63-I65 HydrophobicContact CD2-CD1 3.86Å; L63-I65 HydrophobicContact CG-CD1 3.99Å; I65-L68 HydrophobicContact CB-CB 4.49Å; I65-L68 HydrophobicContact CB-CD2 4.27Å; I65-L68 HydrophobicContact CG2-CB 4.05Å; I65-L68 HydrophobicContact CG2-CD1 4.12Å; I65-L68 HydrophobicContact CG2-CD2 4.2Å; I65-L68 HydrophobicContact CG2-CG 4.36Å; I65-Y138 HydrophobicContact CD1-CD1 4.24Å; I65-Y138 HydrophobicContact CD1-CE1 3.7Å; I65-Y138 HydrophobicContact CG1-CD1 4.08Å; I65-Y138 HydrophobicContact CG1-CE1 3.86Å; I65-Y138 HydrophobicContact CG2-CE1 4.37Å; I65-Y138 HydrophobicContact CG2-CE2 4Å; I65-T251 PolarHBondContact N-O 3.14Å; I65-T251 PolarHBondContact O-N 2.88Å; I65-F253 HydrophobicContact CB-CE2 4.35Å; I65-F253 HydrophobicContact CG1-CD2 4.02Å; I65-F253 HydrophobicContact CG1-CE2 3.83Å
66	K	98.6	Very high	98.6	Very high	159 Å²	159	52.1 Å²	52.1	69%	0.691	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	145.9	-177.8	-65.1	-174	176.7	-176.5	0	111.9	L68 D250	K66-L68 PolarHBondContact O-N 2.97Å; K66-D250 WeakPolarHBondContact CA-OD1 3.48Å
67	N	98.3	Very high	98.6	Very high	122 Å²	122	48.4 Å²	48.4	65%	0.652	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	44.9	174.4	-170.5	36	0	0	0	112.6	D250	N67-D250 PolarHBondContact N-OD1 2.89Å
68	L	98.7	Very high	98.6	Very high	17 Å²	17	51 Å²	51	9%	0.089	25%	0.251	C	S	.	.			trans	-80.2	-43.8	-175.2	-176.7	55	0	0	0	111.5	I65 K66 Q134 I135 Y138 G249 T251 F253	I65-L68 HydrophobicContact CB-CB 4.49Å; I65-L68 HydrophobicContact CB-CD2 4.27Å; I65-L68 HydrophobicContact CG2-CB 4.05Å; I65-L68 HydrophobicContact CG2-CD1 4.12Å; I65-L68 HydrophobicContact CG2-CD2 4.2Å; I65-L68 HydrophobicContact CG2-CG 4.36Å; K66-L68 PolarHBondContact O-N 2.97Å; L68-Q134 HydrophobicContact CD1-CB 4.1Å; L68-Q134 WeakPolarHBondContact CD1-O 3.4Å; L68-Q134 WeakPolarHBondContact O-CG 3.18Å; L68-I135 HydrophobicContact CD2-CD1 3.81Å; L68-I135 HydrophobicContact CG-CD1 4.32Å; L68-Y138 HydrophobicContact CD1-CD2 3.79Å; L68-Y138 HydrophobicContact CD1-CE2 3.4Å; L68-Y138 VanDerWaalsContact CD1-CE2 3.4Å; L68-Y138 HydrophobicContact CD2-CD2 3.78Å; L68-Y138 HydrophobicContact CD2-CE2 4.1Å; L68-Y138 HydrophobicContact CG-CD2 4.47Å; L68-Y138 HydrophobicContact CG-CE2 4.43Å; L68-G249 PolarHBondContact N-O 3.33Å; L68-T251 HydrophobicContact CD2-CG2 4.19Å; L68-F253 HydrophobicContact CD2-CE2 3.71Å; L68-F253 HydrophobicContact CD2-CZ 3.69Å
69	V	98.8	Very high	98.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-102.6	129.2	179.9	-177.3	0	0	0	0	109.3	D73 I74 F77 Y129 L132 I135 T190 G249	V69-D73 HydrophobicContact CG1-CB 3.77Å; V69-I74 HydrophobicContact CB-CD1 4.04Å; V69-I74 HydrophobicContact CB-CG1 4.45Å; V69-I74 HydrophobicContact CG1-CD1 3.62Å; V69-I74 HydrophobicContact CG1-CG1 4Å; V69-F77 HydrophobicContact CG1-CE2 4.25Å; V69-Y129 HydrophobicContact CG2-CE2 4.44Å; V69-L132 HydrophobicContact CG1-CD1 4Å; V69-L132 HydrophobicContact CG2-CD1 4.34Å; V69-I135 HydrophobicContact CG2-CD1 3.81Å; V69-I135 HydrophobicContact CG2-CG1 4.13Å; V69-T190 HydrophobicContact CB-CG2 3.96Å; V69-T190 HydrophobicContact CG2-CG2 3.8Å; V69-G249 PolarHBondContact N-O 3.34Å; V69-G249 WeakPolarHBondContact O-CA 3.48Å
70	S	98.6	Very high	98.6	Very high	45 Å²	45	51.6 Å²	51.6	32%	0.315	25%	0.252	S	S	.	.			trans	-62.3	147.4	-176.7	75.4	0	0	0	0	111.8	T72 D73 I74	S70-T72 PolarHBondContact O-N 3.12Å; S70-D73 PolarHBondContact O-N 2.84Å; S70-D73 WeakPolarHBondContact OG-CB 3.38Å; S70-D73 PolarHBondContact OG-N 2.78Å; S70-D73 VanDerWaalsContact OG-N 3.11Å; S70-D73 PolarHBondContact OG-OD2 2.86Å; S70-I74 WeakPolarHBondContact O-CG1 3.41Å; S70-I74 PolarHBondContact O-N 3.23Å
71	E	97.9	Very high	98.5	Very high	116 Å²	116	50 Å²	50	54%	0.542	24%	0.243	S	C	.	.	H	α-helix	trans	-55.7	-37.7	174.9	-72.4	-155.1	-145.9	0	0	112.7	D73 I74 D75 K248	E71-D73 VanDerWaalsContact C-N 3.35Å; E71-D73 PolarHBondContact O-N 3.45Å; E71-I74 PolarHBondContact O-N 3.27Å; E71-D75 VanDerWaalsContact O-CG 3.22Å; E71-D75 PolarHBondContact O-N 3.47Å; E71-K248 HydrophobicContact CG-CD 4.02Å; E71-K248 IonicContact OE2-NZ 3.14Å; E71-K248 PolarHBondContact OE2-NZ 2.86Å
72	T	98.5	Very high	98.4	Very high	102 Å²	102	52.7 Å²	52.7	63%	0.626	26%	0.256	S	S	*	.	H	α-helix	trans	-60.8	-42.2	176.5	-53.6	0	0	0	0	112	S70 D75 R76	S70-T72 PolarHBondContact O-N 3.12Å; T72-D75 PolarHBondContact O-N 3.13Å; T72-R76 WeakPolarHBondContact O-CG 3.46Å; T72-R76 PolarHBondContact O-N 3.39Å; T72-R76 VanDerWaalsContact O-N 3.12Å
73	D	98.7	Very high	98.2	Very high	19 Å²	19	56.5 Å²	56.5	10%	0.102	27%	0.27	C	S	.	.	H	α-helix	trans	-66.5	-44.2	176.3	-69.9	-41.1	0	0	0	111.5	V69 S70 E71 D75 R76 F77 R128 Q134	V69-D73 HydrophobicContact CG1-CB 3.77Å; S70-D73 PolarHBondContact O-N 2.84Å; S70-D73 WeakPolarHBondContact OG-CB 3.38Å; S70-D73 PolarHBondContact OG-N 2.78Å; S70-D73 VanDerWaalsContact OG-N 3.11Å; S70-D73 PolarHBondContact OG-OD2 2.86Å; E71-D73 VanDerWaalsContact C-N 3.35Å; E71-D73 PolarHBondContact O-N 3.45Å; D73-D75 VanDerWaalsContact C-N 3.31Å; D73-D75 PolarHBondContact O-N 2.95Å; D73-R76 WeakPolarHBondContact O-CB 3.38Å; D73-R76 PolarHBondContact O-N 2.9Å; D73-F77 HydrophobicContact CB-CE2 3.98Å; D73-F77 HydrophobicContact CB-CZ 4.18Å; D73-F77 WeakPolarHBondContact O-CD2 3.46Å; D73-F77 WeakPolarHBondContact O-CE2 3.07Å; D73-F77 VanDerWaalsContact O-CG 3.25Å; D73-F77 WeakPolarHBondContact O-CG 3.25Å; D73-F77 PolarHBondContact O-N 3.23Å; D73-R128 IonicContact OD1-CZ 3.39Å; D73-R128 IonicContact OD1-NH1 3.18Å; D73-R128 PolarHBondContact OD1-NH1 2.96Å; D73-R128 IonicContact OD1-NH2 3.3Å; D73-R128 PolarHBondContact OD1-NH2 3.16Å; D73-Q134 PolarHBondContact OD2-NE2 3.4Å
74	I	98.8	Very high	98.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.2	-45.6	175.9	-63.6	-58	0	0	0	111	V69 S70 E71 R76 F77 R78 T190 M192 K248	V69-I74 HydrophobicContact CB-CD1 4.04Å; V69-I74 HydrophobicContact CB-CG1 4.45Å; V69-I74 HydrophobicContact CG1-CD1 3.62Å; V69-I74 HydrophobicContact CG1-CG1 4Å; S70-I74 WeakPolarHBondContact O-CG1 3.41Å; S70-I74 PolarHBondContact O-N 3.23Å; E71-I74 PolarHBondContact O-N 3.27Å; I74-R76 VanDerWaalsContact C-N 3.32Å; I74-R76 PolarHBondContact O-N 3.39Å; I74-F77 HydrophobicContact CD1-CD2 4.44Å; I74-F77 PolarHBondContact O-N 2.91Å; I74-R78 HydrophobicContact CG2-CG 4.37Å; I74-R78 WeakPolarHBondContact O-CG 3.35Å; I74-R78 PolarHBondContact O-N 3.08Å; I74-T190 HydrophobicContact CD1-CG2 3.75Å; I74-M192 HydrophobicContact CD1-CG 4.32Å; I74-M192 HydrophobicContact CG2-CB 3.81Å; I74-M192 HydrophobicContact CG2-CG 4.21Å; I74-M192 WeakPolarHBondContact CG2-O 3.5Å; I74-K248 HydrophobicContact CB-CG 4.46Å; I74-K248 HydrophobicContact CG1-CG 4.43Å; I74-K248 HydrophobicContact CG2-CD 4.33Å; I74-K248 HydrophobicContact CG2-CG 4Å
75	D	98.6	Very high	97.7	Very high	77 Å²	77	54.6 Å²	54.6	41%	0.412	26%	0.261	S	S	.	.	H	α-helix	trans	-67.1	-33.8	-178.6	-67.2	-24.9	0	0	0	112.1	E71 T72 D73 R78 K79 K248	E71-D75 VanDerWaalsContact O-CG 3.22Å; E71-D75 PolarHBondContact O-N 3.47Å; T72-D75 PolarHBondContact O-N 3.13Å; D73-D75 VanDerWaalsContact C-N 3.31Å; D73-D75 PolarHBondContact O-N 2.95Å; D75-R78 PolarHBondContact O-N 3Å; D75-K79 WeakPolarHBondContact O-CB 3.48Å; D75-K79 PolarHBondContact O-N 3.01Å; D75-K248 VanDerWaalsContact CG-NZ 3.27Å; D75-K248 WeakPolarHBondContact OD1-CE 3.48Å; D75-K248 IonicContact OD1-NZ 3.91Å; D75-K248 PolarHBondContact OD1-NZ 2.93Å; D75-K248 IonicContact OD2-NZ 3.87Å; D75-K248 PolarHBondContact OD2-NZ 2.92Å
76	R	98.7	Very high	97.3	Very high	103 Å²	103	60.2 Å²	60.2	39%	0.389	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-48.3	170.5	-72.4	173.7	66.3	168.7	7.3	111.8	T72 D73 I74 R78 K79 E80 E125	T72-R76 WeakPolarHBondContact O-CG 3.46Å; T72-R76 PolarHBondContact O-N 3.39Å; T72-R76 VanDerWaalsContact O-N 3.12Å; D73-R76 WeakPolarHBondContact O-CB 3.38Å; D73-R76 PolarHBondContact O-N 2.9Å; I74-R76 VanDerWaalsContact C-N 3.32Å; I74-R76 PolarHBondContact O-N 3.39Å; R76-R78 VanDerWaalsContact C-N 3.32Å; R76-R78 PolarHBondContact O-N 3.05Å; R76-K79 PolarHBondContact O-N 3.33Å; R76-E80 PolarHBondContact O-N 2.87Å; R76-E125 IonicContact CZ-OE1 2.72Å; R76-E125 IonicContact CZ-OE2 3.13Å; R76-E125 VanDerWaalsContact CZ-OE2 3.26Å; R76-E125 IonicContact NE-OE2 2.78Å; R76-E125 PolarHBondContact NE-OE2 3.29Å; R76-E125 IonicContact NH2-OE1 3.58Å; R76-E125 PolarHBondContact NH2-OE1 3.44Å; R76-E125 IonicContact NH2-OE2 2.74Å; R76-E125 PolarHBondContact NH2-OE2 3.06Å
77	F	98.7	Very high	96.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-38	178.6	-53.6	-39.3	0	0	0	112.1	V69 D73 I74 E80 F81 E125 L126 R128 Y129 L132 M192 I274	V69-F77 HydrophobicContact CG1-CE2 4.25Å; D73-F77 HydrophobicContact CB-CE2 3.98Å; D73-F77 HydrophobicContact CB-CZ 4.18Å; D73-F77 WeakPolarHBondContact O-CD2 3.46Å; D73-F77 WeakPolarHBondContact O-CE2 3.07Å; D73-F77 VanDerWaalsContact O-CG 3.25Å; D73-F77 WeakPolarHBondContact O-CG 3.25Å; D73-F77 PolarHBondContact O-N 3.23Å; I74-F77 HydrophobicContact CD1-CD2 4.44Å; I74-F77 PolarHBondContact O-N 2.91Å; F77-E80 PolarHBondContact O-N 2.76Å; F77-F81 WeakPolarHBondContact O-CB 3.47Å; F77-F81 PolarHBondContact O-N 3.45Å; F77-E125 VanDerWaalsContact CD1-O 3.3Å; F77-E125 WeakPolarHBondContact CD1-O 3.46Å; F77-E125 WeakPolarHBondContact CE1-O 3.19Å; F77-L126 HydrophobicContact CB-CD2 4.08Å; F77-L126 HydrophobicContact CD1-CD2 4.49Å; F77-R128 HydrophobicContact CE1-CB 4.35Å; F77-Y129 HydrophobicContact CE2-CD2 4.09Å; F77-L132 HydrophobicContact CE2-CD1 4.27Å; F77-L132 HydrophobicContact CZ-CD1 4.04Å; F77-M192 HydrophobicContact CB-CE 3.67Å; F77-I274 HydrophobicContact CB-CD1 4.41Å; F77-I274 HydrophobicContact CD2-CD1 4.35Å; F77-I274 HydrophobicContact CG-CD1 4.26Å
78	R	98.3	Very high	96.6	Very high	56 Å²	56	57.2 Å²	57.2	21%	0.211	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-45.1	174.3	-71	176.9	72.6	91.2	5.6	111.4	I74 D75 R76 F81 E82 M192 E193	I74-R78 HydrophobicContact CG2-CG 4.37Å; I74-R78 WeakPolarHBondContact O-CG 3.35Å; I74-R78 PolarHBondContact O-N 3.08Å; D75-R78 PolarHBondContact O-N 3Å; R76-R78 VanDerWaalsContact C-N 3.32Å; R76-R78 PolarHBondContact O-N 3.05Å; R78-F81 WeakPolarHBondContact O-CB 3.29Å; R78-F81 PolarHBondContact O-N 2.99Å; R78-E82 WeakPolarHBondContact O-CG 3.49Å; R78-E82 PolarHBondContact O-N 3.34Å; R78-M192 HydrophobicContact CB-CE 4.25Å; R78-M192 HydrophobicContact CG-CB 4.4Å; R78-M192 HydrophobicContact CG-CE 3.44Å; R78-M192 VanDerWaalsContact CG-CE 3.44Å; R78-M192 PolarHBondContact NH1-O 2.71Å; R78-E193 IonicContact CZ-OE1 2.73Å; R78-E193 IonicContact NH1-OE1 3.26Å; R78-E193 PolarHBondContact NH1-OE1 3.33Å; R78-E193 IonicContact NH2-OE1 2.69Å
79	K	98.2	Very high	96.3	Very high	142 Å²	142	57.8 Å²	57.8	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-62.6	-42.9	178.1	-172	179.5	-179.4	-178.4	0	111.4	D75 R76 E82 R83	D75-K79 WeakPolarHBondContact O-CB 3.48Å; D75-K79 PolarHBondContact O-N 3.01Å; R76-K79 PolarHBondContact O-N 3.33Å; K79-E82 PolarHBondContact O-N 3.43Å; K79-R83 WeakPolarHBondContact O-CG 3.37Å; K79-R83 PolarHBondContact O-N 3.26Å
80	E	98.3	Very high	95.9	Very high	14 Å²	14	66.5 Å²	66.5	7%	0.065	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-42.1	178	-161.9	66.4	-171.1	0	0	112.1	R76 F77 E82 R83 I84 E125 L126	R76-E80 PolarHBondContact O-N 2.87Å; F77-E80 PolarHBondContact O-N 2.76Å; E80-E82 VanDerWaalsContact C-N 3.29Å; E80-E82 PolarHBondContact O-N 3.06Å; E80-R83 VanDerWaalsContact CD-NH1 3.33Å; E80-R83 PolarHBondContact O-N 3.48Å; E80-R83 VanDerWaalsContact O-N 3.15Å; E80-R83 IonicContact OE1-CZ 3.15Å; E80-R83 IonicContact OE1-NH1 2.86Å; E80-R83 PolarHBondContact OE1-NH1 2.85Å; E80-R83 VanDerWaalsContact OE1-NH1 3.15Å; E80-R83 WeakPolarHBondContact OE2-CD 3.34Å; E80-R83 IonicContact OE2-CZ 2.68Å; E80-R83 IonicContact OE2-NE 3.61Å; E80-R83 IonicContact OE2-NH1 3.83Å; E80-R83 PolarHBondContact OE2-NH1 3.3Å; E80-I84 HydrophobicContact CG-CD1 4.28Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 2.78Å; E80-E125 HydrophobicContact CB-CB 4.09Å; E80-E125 HydrophobicContact CG-CB 3.82Å; E80-L126 HydrophobicContact CB-CD2 4.17Å; E80-L126 HydrophobicContact CB-CG 4.37Å; E80-L126 HydrophobicContact CG-CG 4.26Å
81	F	97.4	Very high	95.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.2	-45.7	171.8	172.8	-102.2	0	0	0	112.2	F77 R78 R83 I84 C85 Q111 V114 L117 L154 N156 K272	F77-F81 WeakPolarHBondContact O-CB 3.47Å; F77-F81 PolarHBondContact O-N 3.45Å; R78-F81 WeakPolarHBondContact O-CB 3.29Å; R78-F81 PolarHBondContact O-N 2.99Å; F81-R83 PolarHBondContact O-N 3.14Å; F81-I84 PolarHBondContact O-N 2.83Å; F81-C85 WeakPolarHBondContact CZ-SG 3.44Å; F81-C85 PolarHBondContact O-N 2.71Å; F81-C85 PolarHBondContact O-SG 2.9Å; F81-Q111 HydrophobicContact CE1-CB 3.74Å; F81-Q111 HydrophobicContact CZ-CB 4.38Å; F81-V114 HydrophobicContact CE2-CG1 3.99Å; F81-V114 HydrophobicContact CZ-CB 4.38Å; F81-V114 HydrophobicContact CZ-CG1 4.21Å; F81-L117 HydrophobicContact CD2-CD1 3.61Å; F81-L117 HydrophobicContact CD2-CG 3.99Å; F81-L117 HydrophobicContact CE2-CD1 4.07Å; F81-L117 HydrophobicContact CE2-CG 3.95Å; F81-L154 HydrophobicContact CB-CD1 3.76Å; F81-L154 HydrophobicContact CB-CD2 4.46Å; F81-L154 HydrophobicContact CD2-CD1 3.93Å; F81-L154 HydrophobicContact CD2-CD2 3.43Å; F81-L154 VanDerWaalsContact CD2-CD2 3.43Å; F81-L154 HydrophobicContact CD2-CG 4.23Å; F81-L154 HydrophobicContact CE2-CD2 3.71Å; F81-L154 HydrophobicContact CG-CD1 4.08Å; F81-L154 HydrophobicContact CG-CD2 3.88Å; F81-L154 HydrophobicContact CZ-CD2 4.36Å; F81-N156 HydrophobicContact CE1-CB 4.2Å; F81-N156 HydrophobicContact CE2-CB 4.23Å; F81-N156 HydrophobicContact CZ-CB 3.57Å; F81-K272 HydrophobicContact CD1-CD 4.33Å; F81-K272 HydrophobicContact CE1-CD 4.44Å; F81-K272 VanDerWaalsContact CE1-CE 3.45Å
82	E	95.4	Very high	95.3	Very high	56 Å²	56	64.1 Å²	64.1	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-41.8	177.3	-71.6	179.8	-179.6	0	0	112.5	R78 K79 E80 I84 C85 R86	R78-E82 WeakPolarHBondContact O-CG 3.49Å; R78-E82 PolarHBondContact O-N 3.34Å; K79-E82 PolarHBondContact O-N 3.43Å; E80-E82 VanDerWaalsContact C-N 3.29Å; E80-E82 PolarHBondContact O-N 3.06Å; E82-I84 PolarHBondContact O-N 2.56Å; E82-C85 PolarHBondContact O-N 2.97Å; E82-R86 WeakPolarHBondContact O-CG 3.35Å; E82-R86 PolarHBondContact O-N 3.13Å
83	R	96.1	Very high	94.8	Very high	88 Å²	88	61.6 Å²	61.6	33%	0.332	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-42.1	176.1	-67.7	174.1	67.6	-148.5	-2.1	111.7	K79 E80 F81 R86 Q87 E88 V89	K79-R83 WeakPolarHBondContact O-CG 3.37Å; K79-R83 PolarHBondContact O-N 3.26Å; E80-R83 VanDerWaalsContact CD-NH1 3.33Å; E80-R83 PolarHBondContact O-N 3.48Å; E80-R83 VanDerWaalsContact O-N 3.15Å; E80-R83 IonicContact OE1-CZ 3.15Å; E80-R83 IonicContact OE1-NH1 2.86Å; E80-R83 PolarHBondContact OE1-NH1 2.85Å; E80-R83 VanDerWaalsContact OE1-NH1 3.15Å; E80-R83 WeakPolarHBondContact OE2-CD 3.34Å; E80-R83 IonicContact OE2-CZ 2.68Å; E80-R83 IonicContact OE2-NE 3.61Å; E80-R83 IonicContact OE2-NH1 3.83Å; E80-R83 PolarHBondContact OE2-NH1 3.3Å; F81-R83 PolarHBondContact O-N 3.14Å; R83-R86 PolarHBondContact O-N 2.87Å; R83-Q87 PolarHBondContact O-N 3.1Å; R83-Q87 VanDerWaalsContact O-N 3.16Å; R83-E88 HydrophobicContact CB-CB 4.26Å; R83-E88 PolarHBondContact O-N 3.26Å; R83-V89 HydrophobicContact CB-CG2 3.98Å; R83-V89 VanDerWaalsContact CZ-CG2 3.48Å; R83-V89 VanDerWaalsContact NH2-CG2 3.35Å
84	I	95.1	Very high	94.6	Very high	13 Å²	13	61.8 Å²	61.8	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-46.1	174	-68.3	167	0	0	0	110.5	E80 F81 E82 R86 Q87 V89 V91 L94 L117 L126	E80-I84 HydrophobicContact CG-CD1 4.28Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 2.78Å; F81-I84 PolarHBondContact O-N 2.83Å; E82-I84 PolarHBondContact O-N 2.56Å; I84-R86 VanDerWaalsContact C-N 3.27Å; I84-R86 PolarHBondContact O-N 3.48Å; I84-Q87 WeakPolarHBondContact O-CA 3.27Å; I84-Q87 PolarHBondContact O-N 3.22Å; I84-V89 HydrophobicContact CG1-CB 4.17Å; I84-V89 HydrophobicContact CG1-CG1 4.36Å; I84-V91 HydrophobicContact CD1-CG2 4.2Å; I84-V91 HydrophobicContact CG1-CG2 4.36Å; I84-L94 HydrophobicContact CG2-CD2 3.65Å; I84-L117 HydrophobicContact CB-CD1 4.43Å; I84-L117 HydrophobicContact CD1-CD1 3.98Å; I84-L117 HydrophobicContact CG2-CD1 3.94Å; I84-L117 HydrophobicContact CG2-CD2 4.28Å; I84-L126 HydrophobicContact CD1-CD1 3.64Å; I84-L126 HydrophobicContact CD1-CG 4.46Å
85	C	91.2	Very high	94.2	Very high	8 Å²	8	64 Å²	64	5%	0.054	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-35.7	178.4	-70.8	0	0	0	0	112.9	F81 E82 Q87 P109 Q111	F81-C85 WeakPolarHBondContact CZ-SG 3.44Å; F81-C85 PolarHBondContact O-N 2.71Å; F81-C85 PolarHBondContact O-SG 2.9Å; E82-C85 PolarHBondContact O-N 2.97Å; C85-Q87 PolarHBondContact O-N 3.48Å; C85-P109 CarbonylContact O-C 3.52Å; C85-Q111 HydrophobicContact CB-CB 4.29Å
86	R	90.6	Very high	93.8	Very high	127 Å²	127	63.9 Å²	63.9	48%	0.479	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.3	174.3	-67.9	177.7	-172.5	171.2	7.1	113.9	E82 R83 I84 E88	E82-R86 WeakPolarHBondContact O-CG 3.35Å; E82-R86 PolarHBondContact O-N 3.13Å; R83-R86 PolarHBondContact O-N 2.87Å; I84-R86 VanDerWaalsContact C-N 3.27Å; I84-R86 PolarHBondContact O-N 3.48Å; R86-E88 HydrophobicContact CB-CG 3.93Å; R86-E88 WeakPolarHBondContact CD-OE1 3.23Å; R86-E88 IonicContact NH1-OE1 3.88Å; R86-E88 PolarHBondContact O-N 3.45Å
87	Q	89.6	Confident	93.2	Very high	110 Å²	110	60.5 Å²	60.5	51%	0.514	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	22.2	-176.5	-50.1	-178.1	4.7	0	0	114.2	R83 I84 C85 V89	R83-Q87 PolarHBondContact O-N 3.1Å; R83-Q87 VanDerWaalsContact O-N 3.16Å; I84-Q87 WeakPolarHBondContact O-CA 3.27Å; I84-Q87 PolarHBondContact O-N 3.22Å; C85-Q87 PolarHBondContact O-N 3.48Å; Q87-V89 PolarHBondContact O-N 3.12Å
88	E	92.8	Very high	92.2	Very high	109 Å²	109	66.4 Å²	66.4	51%	0.509	32%	0.32	S	S	.	.	S	Bend	trans	-71.4	-22.5	172.5	-62.6	172.4	-160.1	0	0	111.2	R83 R86	R83-E88 HydrophobicContact CB-CB 4.26Å; R83-E88 PolarHBondContact O-N 3.26Å; R86-E88 HydrophobicContact CB-CG 3.93Å; R86-E88 WeakPolarHBondContact CD-OE1 3.23Å; R86-E88 IonicContact NH1-OE1 3.88Å; R86-E88 PolarHBondContact O-N 3.45Å
89	V	92	Very high	90.9	Very high	28 Å²	28	63.9 Å²	63.9	17%	0.17	31%	0.311	C	S	.	.	S	Bend	trans	-126.4	133.4	177.2	179.9	0	0	0	0	108.7	R83 I84 Q87 V91	R83-V89 HydrophobicContact CB-CG2 3.98Å; R83-V89 VanDerWaalsContact CZ-CG2 3.48Å; R83-V89 VanDerWaalsContact NH2-CG2 3.35Å; I84-V89 HydrophobicContact CG1-CB 4.17Å; I84-V89 HydrophobicContact CG1-CG1 4.36Å; Q87-V89 PolarHBondContact O-N 3.12Å; V89-V91 HydrophobicContact CG1-CG2 3.96Å
90	K	91.4	Very high	89.3	Confident	183 Å²	183	60 Å²	60	80%	0.796	30%	0.299	S	S	*	.			trans	-114.5	119.4	173.6	-65.8	-175	-177.6	179.5	0	108.8
91	V	92.9	Very high	87.4	Confident	20 Å²	20	61.4 Å²	61.4	12%	0.121	31%	0.313	C	S	.	.			trans	-107.3	118.8	-177.9	-177.4	0	0	0	0	108.6	I84 V89 G93 L94 E122 D123	I84-V91 HydrophobicContact CD1-CG2 4.2Å; I84-V91 HydrophobicContact CG1-CG2 4.36Å; V89-V91 HydrophobicContact CG1-CG2 3.96Å; V91-G93 PolarHBondContact O-N 2.66Å; V91-L94 HydrophobicContact CB-CB 3.81Å; V91-L94 HydrophobicContact CB-CD2 4.07Å; V91-L94 HydrophobicContact CB-CG 4.37Å; V91-L94 HydrophobicContact CG1-CB 4.03Å; V91-L94 HydrophobicContact CG1-CD1 4.47Å; V91-L94 HydrophobicContact CG2-CD2 4.34Å; V91-L94 WeakPolarHBondContact O-CB 3.33Å; V91-L94 PolarHBondContact O-N 2.84Å; V91-E122 HydrophobicContact CG1-CB 3.99Å; V91-D123 HydrophobicContact CG1-CB 3.88Å; V91-D123 HydrophobicContact CG2-CB 3.79Å; V91-D123 VanDerWaalsContact CG2-OD2 3.29Å; V91-D123 WeakPolarHBondContact CG2-OD2 3.34Å
92	P	90.8	Very high	86	Confident	92 Å²	92	62.6 Å²	62.6	60%	0.597	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	136.9	175.7	-24.9	35	0	0	0	111.9	L94	P92-L94 PolarHBondContact O-N 3.31Å; P92-L94 VanDerWaalsContact O-N 3.12Å
93	G	87.6	Confident	84.3	Confident	48 Å²	48	63.1 Å²	63.1	50%	0.495	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-11.4	177.3	0	0	0	0	0	115.8	V91 I95	V91-G93 PolarHBondContact O-N 2.66Å; G93-I95 PolarHBondContact O-N 2.99Å
94	L	93.3	Very high	82.4	Confident	23 Å²	23	68.8 Å²	68.8	12%	0.12	36%	0.36	C	S	.	.			trans	-59	132.9	-179.3	-172.2	78.9	0	0	0	112	I84 V91 P92 V96 L117 Q118 F120	I84-L94 HydrophobicContact CG2-CD2 3.65Å; V91-L94 HydrophobicContact CB-CB 3.81Å; V91-L94 HydrophobicContact CB-CD2 4.07Å; V91-L94 HydrophobicContact CB-CG 4.37Å; V91-L94 HydrophobicContact CG1-CB 4.03Å; V91-L94 HydrophobicContact CG1-CD1 4.47Å; V91-L94 HydrophobicContact CG2-CD2 4.34Å; V91-L94 WeakPolarHBondContact O-CB 3.33Å; V91-L94 PolarHBondContact O-N 2.84Å; P92-L94 PolarHBondContact O-N 3.31Å; P92-L94 VanDerWaalsContact O-N 3.12Å; L94-V96 HydrophobicContact CD2-CG2 4.1Å; L94-V96 HydrophobicContact CG-CG2 4.49Å; L94-L117 HydrophobicContact CD1-CB 4.27Å; L94-L117 HydrophobicContact CD2-CD1 4.44Å; L94-L117 HydrophobicContact CD2-CD2 4.18Å; L94-Q118 WeakPolarHBondContact CD1-O 3.45Å; L94-F120 HydrophobicContact CD1-CB 3.64Å
95	I	90.9	Very high	80.7	Confident	47 Å²	47	71.7 Å²	71.7	24%	0.241	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.9	175	-57.9	176.8	0	0	0	108.7	G93 M97 L117 Q118 D119	G93-I95 PolarHBondContact O-N 2.99Å; I95-M97 HydrophobicContact CG2-CG 4.13Å; I95-L117 CarbonylContact O-C 3.39Å; I95-L117 WeakPolarHBondContact O-CA 3.25Å; I95-Q118 HydrophobicContact CB-CB 4.19Å; I95-Q118 PolarHBondContact N-O 3.09Å; I95-Q118 PolarHBondContact O-N 3.35Å; I95-D119 WeakPolarHBondContact CD1-OD2 3.32Å
96	V	90.2	Very high	79.2	Confident	74 Å²	74	80 Å²	80	45%	0.448	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.7	174.2	-174.5	0	0	0	0	109	L94 V114 L117	L94-V96 HydrophobicContact CD2-CG2 4.1Å; L94-V96 HydrophobicContact CG-CG2 4.49Å; V96-V114 HydrophobicContact CG1-CB 4.37Å; V96-V114 HydrophobicContact CG1-CG1 3.84Å; V96-V114 HydrophobicContact CG1-CG2 3.72Å; V96-L117 HydrophobicContact CB-CD2 4.32Å; V96-L117 HydrophobicContact CG1-CD2 4.17Å; V96-L117 HydrophobicContact CG2-CD2 3.89Å
97	M	85.6	Confident	77.5	Confident	33 Å²	33	78.4 Å²	78.4	16%	0.163	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	147.8	178.4	-53.9	-174.5	78.8	0	0	111.5	I95 S115 K116 Q118	I95-M97 HydrophobicContact CG2-CG 4.13Å; M97-S115 PolarHBondContact O-N 3.01Å; M97-S115 PolarHBondContact O-OG 2.92Å; M97-K116 HydrophobicContact CB-CB 4.03Å; M97-K116 HydrophobicContact CG-CB 4.27Å; M97-K116 PolarHBondContact N-O 2.83Å; M97-K116 HydrophobicContact SD-CB 4.08Å; M97-K116 HydrophobicContact SD-CD 3.77Å; M97-K116 HydrophobicContact SD-CG 4.34Å; M97-Q118 HydrophobicContact SD-CG 4.27Å
98	R	79.4	Confident	76.2	Confident	123 Å²	123	77.7 Å²	77.7	46%	0.464	42%	0.419	S	S	.	.			trans	-123.1	131.8	171.1	-50.9	-165	-176.8	167.6	3.5	108.6	F107 A113	R98-F107 VanDerWaalsContact NH1-CD2 3.25Å; R98-A113 WeakPolarHBondContact CD-O 3.41Å; R98-A113 VanDerWaalsContact CG-O 3.27Å; R98-A113 WeakPolarHBondContact CG-O 3.43Å
99	D	70	Confident	74.9	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.016	41%	0.413	C	S	.	.			trans	-72.2	147.2	177.6	-160.5	-45.5	0	0	0	109.4	A101 I102 A103 S115 P158 N226	D99-A101 HydrophobicContact CB-CB 4.21Å; D99-A101 PolarHBondContact O-N 3.38Å; D99-A101 VanDerWaalsContact O-N 3.1Å; D99-A101 PolarHBondContact OD1-N 3.19Å; D99-A101 VanDerWaalsContact OD1-N 3.07Å; D99-I102 HydrophobicContact CB-CD1 4.46Å; D99-I102 HydrophobicContact CB-CG1 4.08Å; D99-I102 CarbonylContact O-C 3.51Å; D99-I102 VanDerWaalsContact O-CG1 3.29Å; D99-I102 WeakPolarHBondContact O-CG1 3.36Å; D99-I102 PolarHBondContact O-N 3.45Å; D99-A103 WeakPolarHBondContact O-CB 3.39Å; D99-A103 PolarHBondContact O-N 2.93Å; D99-S115 PolarHBondContact N-OG 2.89Å; D99-P158 HydrophobicContact CB-CG 4.07Å; D99-N226 WeakPolarHBondContact CA-OD1 3.43Å; D99-N226 PolarHBondContact OD1-ND2 3.44Å; D99-N226 PolarHBondContact OD1-OD1 3.43Å; D99-N226 VanDerWaalsContact OD1-OD1 3.07Å; D99-N226 PolarHBondContact OD2-ND2 2.81Å
100	V	63.9	Low	74.2	Confident	60 Å²	60	76 Å²	76	36%	0.364	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-28.6	169.6	-65.1	0	0	0	0	111.9	I102 T165 N226	V100-I102 PolarHBondContact O-N 3.07Å; V100-T165 HydrophobicContact CG2-CG2 4.18Å; V100-N226 PolarHBondContact N-OD1 3.48Å
101	A	59.2	Low	73.5	Confident	44 Å²	44	69.4 Å²	69.4	36%	0.364	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.4	175.1	0	0	0	0	0	113.9	D99 P158 T165	D99-A101 HydrophobicContact CB-CB 4.21Å; D99-A101 PolarHBondContact O-N 3.38Å; D99-A101 VanDerWaalsContact O-N 3.1Å; D99-A101 PolarHBondContact OD1-N 3.19Å; D99-A101 VanDerWaalsContact OD1-N 3.07Å; A101-P158 HydrophobicContact CB-CG 4.34Å; A101-T165 WeakPolarHBondContact CB-OG1 3.33Å
102	I	67.2	Low	72.9	Confident	26 Å²	26	76.8 Å²	76.8	13%	0.133	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-5.2	-175.1	60	177.1	0	0	0	112.9	D99 V100 K104 S105 R112 P158	D99-I102 HydrophobicContact CB-CD1 4.46Å; D99-I102 HydrophobicContact CB-CG1 4.08Å; D99-I102 CarbonylContact O-C 3.51Å; D99-I102 VanDerWaalsContact O-CG1 3.29Å; D99-I102 WeakPolarHBondContact O-CG1 3.36Å; D99-I102 PolarHBondContact O-N 3.45Å; V100-I102 PolarHBondContact O-N 3.07Å; I102-K104 PolarHBondContact O-N 3.37Å; I102-K104 VanDerWaalsContact O-N 3.08Å; I102-S105 PolarHBondContact O-N 3.12Å; I102-S105 PolarHBondContact O-OG 3.49Å; I102-R112 WeakPolarHBondContact CD1-O 3.46Å; I102-P158 HydrophobicContact CG2-CB 4.31Å
103	A	61.5	Low	72.3	Confident	66 Å²	66	72.9 Å²	72.9	55%	0.545	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.4	-177.1	0	0	0	0	0	114.2	D99	D99-A103 WeakPolarHBondContact O-CB 3.39Å; D99-A103 PolarHBondContact O-N 2.93Å
104	K	56.2	Low	72.3	Confident	208 Å²	208	71 Å²	71	90%	0.904	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-7.3	-178.6	-64.7	-175.1	178.9	-177.6	0	114.6	I102	I102-K104 PolarHBondContact O-N 3.37Å; I102-K104 VanDerWaalsContact O-N 3.08Å
105	S	59.3	Low	72.1	Confident	74 Å²	74	70.3 Å²	70.3	52%	0.517	37%	0.365	S	S	.	.	S	Bend	trans	-83.5	150.4	177.5	57.2	0	0	0	0	111.8	I102 F107	I102-S105 PolarHBondContact O-N 3.12Å; I102-S105 PolarHBondContact O-OG 3.49Å; S105-F107 PolarHBondContact O-N 3.37Å
106	E	58	Low	72.2	Confident	181 Å²	181	68.5 Å²	68.5	85%	0.846	36%	0.355	S	S	*	.			trans	-51.7	137	172.1	-78.8	-174.5	162.9	0	0	111	V108	E106-V108 PolarHBondContact O-N 2.99Å
107	F	56.3	Low	72.5	Confident	94 Å²	94	65 Å²	65	41%	0.412	33%	0.334	S	S	.	.			trans	-74.3	100	-179	179.5	-114.6	0	0	0	110.2	R98 S105 P109 A113	R98-F107 VanDerWaalsContact NH1-CD2 3.25Å; S105-F107 PolarHBondContact O-N 3.37Å; F107-P109 HydrophobicContact CD1-CG 4.42Å; F107-P109 HydrophobicContact CE1-CB 4.38Å; F107-P109 HydrophobicContact CE1-CG 3.77Å; F107-P109 HydrophobicContact CZ-CB 4.19Å; F107-P109 HydrophobicContact CZ-CG 4.07Å; F107-A113 HydrophobicContact CD2-CB 4.16Å; F107-A113 HydrophobicContact CE2-CB 4.21Å
108	V	61	Low	73	Confident	95 Å²	95	64.7 Å²	64.7	58%	0.576	33%	0.332	S	S	*	.			trans	-96.8	126.2	161.2	-175.5	0	0	0	0	107	E106 D110	E106-V108 PolarHBondContact O-N 2.99Å; V108-D110 HydrophobicContact CG1-CB 4.24Å; V108-D110 PolarHBondContact O-N 3.33Å
109	P	65.8	Low	73.8	Confident	57 Å²	57	59.5 Å²	59.5	37%	0.37	31%	0.314	S	S	.	.	S	Bend	trans	-63.2	74.2	173.2	-19.2	30.8	0	0	0	111.8	C85 F107	C85-P109 CarbonylContact O-C 3.52Å; F107-P109 HydrophobicContact CD1-CG 4.42Å; F107-P109 HydrophobicContact CE1-CB 4.38Å; F107-P109 HydrophobicContact CE1-CG 3.77Å; F107-P109 HydrophobicContact CZ-CB 4.19Å; F107-P109 HydrophobicContact CZ-CG 4.07Å
110	D	78.1	Confident	75.1	Confident	44 Å²	44	59.3 Å²	59.3	24%	0.235	31%	0.313	C	S	.	.	S	Bend	trans	-141.3	158.8	-178.2	-179.7	42	0	0	0	110.1	V108 R112 A113	V108-D110 HydrophobicContact CG1-CB 4.24Å; V108-D110 PolarHBondContact O-N 3.33Å; D110-R112 PolarHBondContact O-N 3.07Å; D110-R112 WeakPolarHBondContact OD2-CD 2.99Å; D110-R112 VanDerWaalsContact OD2-CG 3.28Å; D110-R112 WeakPolarHBondContact OD2-CG 3.34Å; D110-R112 PolarHBondContact OD2-N 2.88Å; D110-R112 IonicContact OD2-NE 2.9Å; D110-A113 PolarHBondContact O-N 3.46Å
111	Q	76.1	Confident	76.7	Confident	45 Å²	45	57.7 Å²	57.7	21%	0.21	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-56	-25.9	179.1	58.7	178.9	-40.9	0	0	113.6	F81 C85 A113 V114 N156 K272	F81-Q111 HydrophobicContact CE1-CB 3.74Å; F81-Q111 HydrophobicContact CZ-CB 4.38Å; C85-Q111 HydrophobicContact CB-CB 4.29Å; Q111-A113 PolarHBondContact O-N 3.36Å; Q111-V114 PolarHBondContact O-N 3.13Å; Q111-N156 PolarHBondContact O-ND2 3.13Å; Q111-K272 VanDerWaalsContact OE1-CE 3.27Å
112	R	80.1	Confident	78.5	Confident	175 Å²	175	59.9 Å²	59.9	66%	0.66	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-66.2	-20	177.8	-65.8	176.9	-177.8	-167.4	1.4	113.3	I102 D110 F270	I102-R112 WeakPolarHBondContact CD1-O 3.46Å; D110-R112 PolarHBondContact O-N 3.07Å; D110-R112 WeakPolarHBondContact OD2-CD 2.99Å; D110-R112 VanDerWaalsContact OD2-CG 3.28Å; D110-R112 WeakPolarHBondContact OD2-CG 3.34Å; D110-R112 PolarHBondContact OD2-N 2.88Å; D110-R112 IonicContact OD2-NE 2.9Å; R112-F270 HydrophobicContact CB-CE2 4.12Å; R112-F270 HydrophobicContact CB-CZ 4.04Å; R112-F270 HydrophobicContact CG-CD2 4.5Å; R112-F270 HydrophobicContact CG-CE2 3.86Å; R112-F270 HydrophobicContact CG-CZ 4.29Å; R112-F270 WeakPolarHBondContact O-CZ 3.49Å
113	A	79.4	Confident	80	Confident	11 Å²	11	58.7 Å²	58.7	9%	0.091	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-90.8	-3.8	178.1	0	0	0	0	0	113.6	R98 F107 D110 Q111	R98-A113 WeakPolarHBondContact CD-O 3.41Å; R98-A113 VanDerWaalsContact CG-O 3.27Å; R98-A113 WeakPolarHBondContact CG-O 3.43Å; F107-A113 HydrophobicContact CD2-CB 4.16Å; F107-A113 HydrophobicContact CE2-CB 4.21Å; D110-A113 PolarHBondContact O-N 3.46Å; Q111-A113 PolarHBondContact O-N 3.36Å
114	V	86.4	Confident	81.7	Confident	8 Å²	8	60.7 Å²	60.7	5%	0.048	31%	0.305	C	S	.	.			trans	-119.8	120.2	-175.1	178.3	0	0	0	0	109.9	F81 V96 Q111 L117 N156	F81-V114 HydrophobicContact CE2-CG1 3.99Å; F81-V114 HydrophobicContact CZ-CB 4.38Å; F81-V114 HydrophobicContact CZ-CG1 4.21Å; V96-V114 HydrophobicContact CG1-CB 4.37Å; V96-V114 HydrophobicContact CG1-CG1 3.84Å; V96-V114 HydrophobicContact CG1-CG2 3.72Å; Q111-V114 PolarHBondContact O-N 3.13Å; V114-L117 HydrophobicContact CG1-CD2 3.8Å; V114-L117 HydrophobicContact CG1-CG 4.44Å; V114-N156 PolarHBondContact O-ND2 3.2Å
115	S	89.4	Confident	83.7	Confident	8 Å²	8	53.4 Å²	53.4	6%	0.056	28%	0.275	C	S	.	.	S	Bend	trans	-97.7	-25.1	179.6	62.1	0	0	0	0	113.6	M97 D99 N156	M97-S115 PolarHBondContact O-N 3.01Å; M97-S115 PolarHBondContact O-OG 2.92Å; D99-S115 PolarHBondContact N-OG 2.89Å; S115-N156 WeakPolarHBondContact CA-O 3.35Å; S115-N156 CarbonylContact O-C 3.56Å; S115-N156 WeakPolarHBondContact O-CA 3.26Å; S115-N156 PolarHBondContact O-N 3.27Å
116	K	93.6	Very high	85.6	Confident	9 Å²	9	49.9 Å²	49.9	4%	0.039	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	143.1	178.1	-167	-175.6	-58.1	177.3	0	110.8	M97 Q118 M153 L154 I155 Y229	M97-K116 HydrophobicContact CB-CB 4.03Å; M97-K116 HydrophobicContact CG-CB 4.27Å; M97-K116 PolarHBondContact N-O 2.83Å; M97-K116 HydrophobicContact SD-CB 4.08Å; M97-K116 HydrophobicContact SD-CD 3.77Å; M97-K116 HydrophobicContact SD-CG 4.34Å; K116-Q118 HydrophobicContact CD-CG 3.73Å; K116-Q118 HydrophobicContact CG-CG 4.12Å; K116-M153 HydrophobicContact CD-SD 4.14Å; K116-L154 CarbonylContact C-O 3.41Å; K116-L154 VanDerWaalsContact CA-O 3.25Å; K116-L154 WeakPolarHBondContact CA-O 3.35Å; K116-L154 WeakPolarHBondContact CG-O 3.32Å; K116-I155 HydrophobicContact CD-CG1 4.44Å; K116-I155 HydrophobicContact CG-CG1 4.24Å; K116-Y229 PolarHBondContact NZ-OH 2.91Å
117	L	95.9	Very high	87.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.7	159.1	-58.6	-174.3	0	0	0	108.7	F81 I84 L94 I95 V96 V114 L126 M153 L154	F81-L117 HydrophobicContact CD2-CD1 3.61Å; F81-L117 HydrophobicContact CD2-CG 3.99Å; F81-L117 HydrophobicContact CE2-CD1 4.07Å; F81-L117 HydrophobicContact CE2-CG 3.95Å; I84-L117 HydrophobicContact CB-CD1 4.43Å; I84-L117 HydrophobicContact CD1-CD1 3.98Å; I84-L117 HydrophobicContact CG2-CD1 3.94Å; I84-L117 HydrophobicContact CG2-CD2 4.28Å; L94-L117 HydrophobicContact CD1-CB 4.27Å; L94-L117 HydrophobicContact CD2-CD1 4.44Å; L94-L117 HydrophobicContact CD2-CD2 4.18Å; I95-L117 CarbonylContact O-C 3.39Å; I95-L117 WeakPolarHBondContact O-CA 3.25Å; V96-L117 HydrophobicContact CB-CD2 4.32Å; V96-L117 HydrophobicContact CG1-CD2 4.17Å; V96-L117 HydrophobicContact CG2-CD2 3.89Å; V114-L117 HydrophobicContact CG1-CD2 3.8Å; V114-L117 HydrophobicContact CG1-CG 4.44Å; L117-L126 HydrophobicContact CD1-CD1 4.19Å; L117-M153 CarbonylContact O-C 3.56Å; L117-M153 VanDerWaalsContact O-CA 3.27Å; L117-M153 WeakPolarHBondContact O-CA 3.33Å; L117-L154 HydrophobicContact CB-CB 4.26Å; L117-L154 PolarHBondContact N-O 3.45Å; L117-L154 PolarHBondContact O-N 3.16Å
118	Q	96.1	Very high	89.5	Confident	27 Å²	27	41.2 Å²	41.2	13%	0.126	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.9	166.3	-56.6	-169.2	-40.6	0	0	110	L94 I95 M97 K116 H151 T152 M153	L94-Q118 WeakPolarHBondContact CD1-O 3.45Å; I95-Q118 HydrophobicContact CB-CB 4.19Å; I95-Q118 PolarHBondContact N-O 3.09Å; I95-Q118 PolarHBondContact O-N 3.35Å; M97-Q118 HydrophobicContact SD-CG 4.27Å; K116-Q118 HydrophobicContact CD-CG 3.73Å; K116-Q118 HydrophobicContact CG-CG 4.12Å; Q118-H151 PolarHBondContact NE2-NE2 3.01Å; Q118-T152 WeakPolarHBondContact CA-O 3.25Å; Q118-M153 HydrophobicContact CG-CG 4.04Å; Q118-M153 PolarHBondContact NE2-SD 2.91Å; Q118-M153 VanDerWaalsContact NE2-SD 3.44Å
119	D	95.8	Very high	91.3	Very high	14 Å²	14	36.7 Å²	36.7	8%	0.075	18%	0.181	C	C	.	.			trans	58.7	50.3	177.6	-57.6	-16.3	0	0	0	113	I95 Q121 H151 T152 R322	I95-D119 WeakPolarHBondContact CD1-OD2 3.32Å; D119-Q121 VanDerWaalsContact C-N 3.27Å; D119-Q121 PolarHBondContact O-N 2.82Å; D119-Q121 PolarHBondContact O-OE1 2.96Å; D119-H151 IonicContact OD1-CE1 3.17Å; D119-H151 IonicContact OD1-ND1 3.99Å; D119-T152 WeakPolarHBondContact CA-OG1 3.27Å; D119-T152 PolarHBondContact N-O 2.86Å; D119-T152 PolarHBondContact N-OG1 2.94Å; D119-R322 VanDerWaalsContact CG-NE 3.3Å; D119-R322 WeakPolarHBondContact OD1-CD 3.26Å; D119-R322 IonicContact OD1-CZ 2.71Å; D119-R322 IonicContact OD1-NE 3.39Å; D119-R322 PolarHBondContact OD1-NE 2.8Å; D119-R322 IonicContact OD1-NH2 3.17Å; D119-R322 PolarHBondContact OD1-NH2 2.82Å; D119-R322 IonicContact OD2-CZ 3.44Å; D119-R322 IonicContact OD2-NE 3.62Å; D119-R322 PolarHBondContact OD2-NE 3.07Å; D119-R322 IonicContact OD2-NH2 3.76Å; D119-R322 PolarHBondContact OD2-NH2 2.79Å
120	F	97.6	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.			trans	-86.6	12.4	178.7	61.8	-126.5	0	0	0	113.6	L94 E122 D123 L126 T152 M153 L154 I274	L94-F120 HydrophobicContact CD1-CB 3.64Å; F120-E122 PolarHBondContact O-N 2.8Å; F120-E122 VanDerWaalsContact O-N 3.07Å; F120-D123 HydrophobicContact CB-CB 4.5Å; F120-D123 WeakPolarHBondContact O-CB 3.28Å; F120-D123 PolarHBondContact O-N 3.2Å; F120-L126 HydrophobicContact CB-CB 4.2Å; F120-L126 HydrophobicContact CB-CD1 3.91Å; F120-L126 HydrophobicContact CD1-CB 4.4Å; F120-L126 HydrophobicContact CD1-CD1 4.13Å; F120-L126 HydrophobicContact CD2-CB 3.71Å; F120-L126 HydrophobicContact CE2-CB 4.11Å; F120-L126 HydrophobicContact CG-CB 3.89Å; F120-L126 HydrophobicContact CG-CD1 4.06Å; F120-T152 HydrophobicContact CD2-CG2 3.92Å; F120-T152 HydrophobicContact CE2-CG2 3.59Å; F120-T152 HydrophobicContact CZ-CG2 4.09Å; F120-T152 PolarHBondContact N-OG1 3.16Å; F120-M153 WeakPolarHBondContact CE1-O 3.24Å; F120-L154 HydrophobicContact CD1-CB 4.46Å; F120-L154 HydrophobicContact CE1-CB 4.21Å; F120-I274 HydrophobicContact CE1-CD1 4.26Å; F120-I274 HydrophobicContact CE1-CG1 4.09Å; F120-I274 HydrophobicContact CZ-CD1 3.89Å; F120-I274 HydrophobicContact CZ-CG1 3.86Å
121	Q	96.9	Very high	93.8	Very high	25 Å²	25	34 Å²	34	12%	0.117	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.6	-174.2	66.7	-78.1	-8.8	0	0	115.1	D119 F127 R324	D119-Q121 VanDerWaalsContact C-N 3.27Å; D119-Q121 PolarHBondContact O-N 2.82Å; D119-Q121 PolarHBondContact O-OE1 2.96Å; Q121-F127 HydrophobicContact CB-CD2 3.78Å; Q121-F127 HydrophobicContact CB-CE2 3.96Å; Q121-R324 HydrophobicContact CB-CG 3.96Å; Q121-R324 HydrophobicContact CG-CG 4.17Å
122	E	97.3	Very high	94.9	Very high	90 Å²	90	32.2 Å²	32.2	42%	0.421	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.3	174.5	-59	-54.7	136.3	0	0	113.2	V91 F120 P124 R324	V91-E122 HydrophobicContact CG1-CB 3.99Å; F120-E122 PolarHBondContact O-N 2.8Å; F120-E122 VanDerWaalsContact O-N 3.07Å; E122-P124 WeakPolarHBondContact O-CD 3.25Å; E122-R324 IonicContact OE1-CZ 3.05Å; E122-R324 IonicContact OE1-NE 2.81Å; E122-R324 PolarHBondContact OE1-NE 3.21Å; E122-R324 IonicContact OE1-NH2 3.79Å; E122-R324 PolarHBondContact OE1-NH2 3.05Å
123	D	98.3	Very high	95.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	16%	0.159	C	C	.	.			trans	-91.8	114	171.8	-174.1	-82.4	0	0	0	109.9	V91 F120 E125 L126 F127	V91-D123 HydrophobicContact CG1-CB 3.88Å; V91-D123 HydrophobicContact CG2-CB 3.79Å; V91-D123 VanDerWaalsContact CG2-OD2 3.29Å; V91-D123 WeakPolarHBondContact CG2-OD2 3.34Å; F120-D123 HydrophobicContact CB-CB 4.5Å; F120-D123 WeakPolarHBondContact O-CB 3.28Å; F120-D123 PolarHBondContact O-N 3.2Å; D123-E125 VanDerWaalsContact C-N 3.34Å; D123-E125 PolarHBondContact O-N 2.94Å; D123-E125 PolarHBondContact OD1-N 3.01Å; D123-E125 VanDerWaalsContact OD1-N 3.12Å; D123-L126 HydrophobicContact CB-CB 4.15Å; D123-L126 HydrophobicContact CB-CG 4.48Å; D123-L126 WeakPolarHBondContact OD1-CB 3.48Å; D123-L126 WeakPolarHBondContact OD1-CG 3.18Å; D123-L126 PolarHBondContact OD1-N 3.01Å; D123-F127 WeakPolarHBondContact O-CB 3.32Å; D123-F127 PolarHBondContact O-N 3.14Å
124	P	97.6	Very high	96.6	Very high	107 Å²	107	29.9 Å²	29.9	70%	0.695	16%	0.164	S	C	*	.	H	α-helix	trans	-63	-35.6	-173.9	-25	34.9	0	0	0	114.3	E122 R128	E122-P124 WeakPolarHBondContact O-CD 3.25Å; P124-R128 WeakPolarHBondContact O-CB 3.39Å; P124-R128 PolarHBondContact O-N 3.26Å
125	E	98.4	Very high	97.2	Very high	56 Å²	56	29.5 Å²	29.5	26%	0.262	16%	0.161	S	C	.	.	H	α-helix	trans	-77.2	-43.9	-177.2	-78	-66.4	131.6	0	0	111.2	R76 F77 E80 D123 R128	R76-E125 IonicContact CZ-OE1 2.72Å; R76-E125 IonicContact CZ-OE2 3.13Å; R76-E125 VanDerWaalsContact CZ-OE2 3.26Å; R76-E125 IonicContact NE-OE2 2.78Å; R76-E125 PolarHBondContact NE-OE2 3.29Å; R76-E125 IonicContact NH2-OE1 3.58Å; R76-E125 PolarHBondContact NH2-OE1 3.44Å; R76-E125 IonicContact NH2-OE2 2.74Å; R76-E125 PolarHBondContact NH2-OE2 3.06Å; F77-E125 VanDerWaalsContact CD1-O 3.3Å; F77-E125 WeakPolarHBondContact CD1-O 3.46Å; F77-E125 WeakPolarHBondContact CE1-O 3.19Å; E80-E125 HydrophobicContact CB-CB 4.09Å; E80-E125 HydrophobicContact CG-CB 3.82Å; D123-E125 VanDerWaalsContact C-N 3.34Å; D123-E125 PolarHBondContact O-N 2.94Å; D123-E125 PolarHBondContact OD1-N 3.01Å; D123-E125 VanDerWaalsContact OD1-N 3.12Å; E125-R128 VanDerWaalsContact O-CB 3.31Å; E125-R128 WeakPolarHBondContact O-CB 3.26Å
126	L	98.6	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.7	-42.5	175.8	-65.2	-175	0	0	0	111.8	F77 E80 I84 L117 F120 D123 R128 Y129 L154 I274	F77-L126 HydrophobicContact CB-CD2 4.08Å; F77-L126 HydrophobicContact CD1-CD2 4.49Å; E80-L126 HydrophobicContact CB-CD2 4.17Å; E80-L126 HydrophobicContact CB-CG 4.37Å; E80-L126 HydrophobicContact CG-CG 4.26Å; I84-L126 HydrophobicContact CD1-CD1 3.64Å; I84-L126 HydrophobicContact CD1-CG 4.46Å; L117-L126 HydrophobicContact CD1-CD1 4.19Å; F120-L126 HydrophobicContact CB-CB 4.2Å; F120-L126 HydrophobicContact CB-CD1 3.91Å; F120-L126 HydrophobicContact CD1-CB 4.4Å; F120-L126 HydrophobicContact CD1-CD1 4.13Å; F120-L126 HydrophobicContact CD2-CB 3.71Å; F120-L126 HydrophobicContact CE2-CB 4.11Å; F120-L126 HydrophobicContact CG-CB 3.89Å; F120-L126 HydrophobicContact CG-CD1 4.06Å; D123-L126 HydrophobicContact CB-CB 4.15Å; D123-L126 HydrophobicContact CB-CG 4.48Å; D123-L126 WeakPolarHBondContact OD1-CB 3.48Å; D123-L126 WeakPolarHBondContact OD1-CG 3.18Å; D123-L126 PolarHBondContact OD1-N 3.01Å; L126-R128 PolarHBondContact O-N 2.82Å; L126-Y129 VanDerWaalsContact O-CB 3.23Å; L126-Y129 WeakPolarHBondContact O-CB 3.36Å; L126-Y129 PolarHBondContact O-N 2.97Å; L126-L154 HydrophobicContact CD1-CD1 4.46Å; L126-L154 HydrophobicContact CD2-CD1 3.91Å; L126-I274 HydrophobicContact CD2-CD1 4.39Å
127	F	98.6	Very high	97.9	Very high	39 Å²	39	33 Å²	33	17%	0.171	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-22.2	178.6	-171.4	-109.8	0	0	0	112.6	Q121 D123 Y129 C130 A149 R324 V326	Q121-F127 HydrophobicContact CB-CD2 3.78Å; Q121-F127 HydrophobicContact CB-CE2 3.96Å; D123-F127 WeakPolarHBondContact O-CB 3.32Å; D123-F127 PolarHBondContact O-N 3.14Å; F127-Y129 PolarHBondContact O-N 2.85Å; F127-Y129 VanDerWaalsContact O-N 3.13Å; F127-C130 HydrophobicContact CD2-CB 3.8Å; F127-C130 HydrophobicContact CE2-CB 3.65Å; F127-C130 HydrophobicContact CG-CB 4.46Å; F127-C130 HydrophobicContact CZ-CB 4.16Å; F127-C130 WeakPolarHBondContact O-CA 3.43Å; F127-C130 VanDerWaalsContact O-CB 3.25Å; F127-C130 WeakPolarHBondContact O-CB 3.36Å; F127-C130 PolarHBondContact O-N 2.83Å; F127-A149 HydrophobicContact CE2-CB 4.13Å; F127-A149 HydrophobicContact CZ-CB 4.5Å; F127-R324 HydrophobicContact CE1-CB 4.42Å; F127-R324 HydrophobicContact CE2-CB 3.89Å; F127-R324 HydrophobicContact CE2-CG 4.01Å; F127-R324 HydrophobicContact CZ-CB 3.44Å; F127-R324 VanDerWaalsContact CZ-CB 3.44Å; F127-R324 HydrophobicContact CZ-CG 3.85Å; F127-V326 HydrophobicContact CE1-CG1 4.32Å; F127-V326 HydrophobicContact CE2-CG1 4.44Å; F127-V326 HydrophobicContact CZ-CG1 3.66Å
128	R	98.6	Very high	98.1	Very high	54 Å²	54	34.5 Å²	34.5	20%	0.204	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-54	-32	170.6	-167.1	179.7	65	87.9	0.5	112.5	D73 F77 P124 E125 L126 C130 A131 L132	D73-R128 IonicContact OD1-CZ 3.39Å; D73-R128 IonicContact OD1-NH1 3.18Å; D73-R128 PolarHBondContact OD1-NH1 2.96Å; D73-R128 IonicContact OD1-NH2 3.3Å; D73-R128 PolarHBondContact OD1-NH2 3.16Å; F77-R128 HydrophobicContact CE1-CB 4.35Å; P124-R128 WeakPolarHBondContact O-CB 3.39Å; P124-R128 PolarHBondContact O-N 3.26Å; E125-R128 VanDerWaalsContact O-CB 3.31Å; E125-R128 WeakPolarHBondContact O-CB 3.26Å; L126-R128 PolarHBondContact O-N 2.82Å; R128-C130 PolarHBondContact O-N 2.86Å; R128-A131 CarbonylContact O-C 3.59Å; R128-A131 PolarHBondContact O-N 3.2Å; R128-A131 VanDerWaalsContact O-N 3.12Å; R128-L132 WeakPolarHBondContact O-CG 3.46Å; R128-L132 PolarHBondContact O-N 3.48Å
129	Y	98.8	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-53.7	-42.7	171.8	173.8	-101.5	0	0	0	112.2	V69 F77 L126 F127 A131 L132 I135 A188 T190 I274 C276	V69-Y129 HydrophobicContact CG2-CE2 4.44Å; F77-Y129 HydrophobicContact CE2-CD2 4.09Å; L126-Y129 VanDerWaalsContact O-CB 3.23Å; L126-Y129 WeakPolarHBondContact O-CB 3.36Å; L126-Y129 PolarHBondContact O-N 2.97Å; F127-Y129 PolarHBondContact O-N 2.85Å; F127-Y129 VanDerWaalsContact O-N 3.13Å; Y129-A131 PolarHBondContact O-N 3.5Å; Y129-L132 HydrophobicContact CD2-CD1 4.35Å; Y129-L132 PolarHBondContact O-N 3Å; Y129-I135 HydrophobicContact CE2-CD1 4.13Å; Y129-I135 HydrophobicContact CE2-CG1 4.32Å; Y129-A188 PolarHBondContact OH-O 2.94Å; Y129-T190 WeakPolarHBondContact CE2-OG1 3.37Å; Y129-T190 PolarHBondContact OH-OG1 2.83Å; Y129-I274 HydrophobicContact CD1-CD1 4.19Å; Y129-I274 HydrophobicContact CD1-CG1 3.99Å; Y129-I274 HydrophobicContact CD2-CD1 4.31Å; Y129-I274 HydrophobicContact CD2-CG1 4.41Å; Y129-I274 HydrophobicContact CD2-CG2 3.76Å; Y129-I274 HydrophobicContact CE1-CG1 4.34Å; Y129-I274 HydrophobicContact CE2-CG2 3.69Å; Y129-I274 HydrophobicContact CG-CD1 3.81Å; Y129-I274 HydrophobicContact CG-CG1 4.01Å; Y129-I274 HydrophobicContact CG-CG2 4.23Å; Y129-C276 HydrophobicContact CD1-CB 4.13Å; Y129-C276 HydrophobicContact CE1-CB 3.81Å
130	C	98.7	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-67.6	-23.9	-178.7	-59.4	0	0	0	0	113.3	F127 R128 L136 A149 C276 Y278 V326	F127-C130 HydrophobicContact CD2-CB 3.8Å; F127-C130 HydrophobicContact CE2-CB 3.65Å; F127-C130 HydrophobicContact CG-CB 4.46Å; F127-C130 HydrophobicContact CZ-CB 4.16Å; F127-C130 WeakPolarHBondContact O-CA 3.43Å; F127-C130 VanDerWaalsContact O-CB 3.25Å; F127-C130 WeakPolarHBondContact O-CB 3.36Å; F127-C130 PolarHBondContact O-N 2.83Å; R128-C130 PolarHBondContact O-N 2.86Å; C130-L136 WeakPolarHBondContact O-CD2 3.45Å; C130-A149 HydrophobicContact CB-CB 4.06Å; C130-C276 VanDerWaalsContact SG-SG 3.64Å; C130-Y278 VanDerWaalsContact CA-OH 3.27Å; C130-Y278 WeakPolarHBondContact CA-OH 3.41Å; C130-Y278 WeakPolarHBondContact O-CE1 3.27Å; C130-Y278 PolarHBondContact O-OH 2.93Å; C130-V326 HydrophobicContact CB-CG1 4.35Å
131	A	98.3	Very high	98.4	Very high	44 Å²	44	35.3 Å²	35.3	36%	0.364	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-109.4	8	-177.9	0	0	0	0	0	113.3	R128 Y129 P133	R128-A131 CarbonylContact O-C 3.59Å; R128-A131 PolarHBondContact O-N 3.2Å; R128-A131 VanDerWaalsContact O-N 3.12Å; Y129-A131 PolarHBondContact O-N 3.5Å; A131-P133 WeakPolarHBondContact O-CD 3.27Å
132	L	98.7	Very high	98.5	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	18%	0.18	C	C	.	.			trans	-62.8	122.7	178.9	-84	-179.9	0	0	0	110.4	V69 F77 R128 Y129 Q134 I135 L136	V69-L132 HydrophobicContact CG1-CD1 4Å; V69-L132 HydrophobicContact CG2-CD1 4.34Å; F77-L132 HydrophobicContact CE2-CD1 4.27Å; F77-L132 HydrophobicContact CZ-CD1 4.04Å; R128-L132 WeakPolarHBondContact O-CG 3.46Å; R128-L132 PolarHBondContact O-N 3.48Å; Y129-L132 HydrophobicContact CD2-CD1 4.35Å; Y129-L132 PolarHBondContact O-N 3Å; L132-Q134 HydrophobicContact CB-CG 4.28Å; L132-Q134 PolarHBondContact O-N 3.14Å; L132-Q134 VanDerWaalsContact O-N 3.16Å; L132-I135 HydrophobicContact CB-CB 4.17Å; L132-I135 HydrophobicContact CB-CG1 4.01Å; L132-I135 HydrophobicContact CD1-CG1 4.37Å; L132-I135 PolarHBondContact O-N 2.77Å; L132-L136 PolarHBondContact O-N 2.76Å
133	P	98.5	Very high	98.5	Very high	95 Å²	95	30 Å²	30	62%	0.617	16%	0.161	S	C	*	.	H	α-helix	trans	-56.7	-35.9	-179.6	-27.1	35.1	0	0	0	113.3	A131 I135 L136 K137	A131-P133 WeakPolarHBondContact O-CD 3.27Å; P133-I135 VanDerWaalsContact C-N 3.28Å; P133-I135 PolarHBondContact O-N 3.48Å; P133-L136 PolarHBondContact O-N 2.94Å; P133-K137 PolarHBondContact O-N 3.32Å; P133-K137 VanDerWaalsContact O-N 3.08Å
134	Q	97.6	Very high	98.5	Very high	41 Å²	41	30.2 Å²	30.2	19%	0.192	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-27.2	176.6	63.7	-92.2	39.3	0	0	113.4	L68 D73 L132 K137 Y138	L68-Q134 HydrophobicContact CD1-CB 4.1Å; L68-Q134 WeakPolarHBondContact CD1-O 3.4Å; L68-Q134 WeakPolarHBondContact O-CG 3.18Å; D73-Q134 PolarHBondContact OD2-NE2 3.4Å; L132-Q134 HydrophobicContact CB-CG 4.28Å; L132-Q134 PolarHBondContact O-N 3.14Å; L132-Q134 VanDerWaalsContact O-N 3.16Å; Q134-K137 WeakPolarHBondContact O-CE 3.15Å; Q134-K137 WeakPolarHBondContact O-CG 3.38Å; Q134-Y138 WeakPolarHBondContact O-CD2 3.25Å
135	I	98.8	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-82.5	-49.6	174.1	-67.6	-74.3	0	0	0	109.1	L68 V69 Y129 L132 P133 K137 Y138 V139 A188 T251 F253 Y278	L68-I135 HydrophobicContact CD2-CD1 3.81Å; L68-I135 HydrophobicContact CG-CD1 4.32Å; V69-I135 HydrophobicContact CG2-CD1 3.81Å; V69-I135 HydrophobicContact CG2-CG1 4.13Å; Y129-I135 HydrophobicContact CE2-CD1 4.13Å; Y129-I135 HydrophobicContact CE2-CG1 4.32Å; L132-I135 HydrophobicContact CB-CB 4.17Å; L132-I135 HydrophobicContact CB-CG1 4.01Å; L132-I135 HydrophobicContact CD1-CG1 4.37Å; L132-I135 PolarHBondContact O-N 2.77Å; P133-I135 VanDerWaalsContact C-N 3.28Å; P133-I135 PolarHBondContact O-N 3.48Å; I135-K137 VanDerWaalsContact C-N 3.31Å; I135-K137 PolarHBondContact O-N 3.06Å; I135-Y138 PolarHBondContact O-N 2.91Å; I135-V139 HydrophobicContact CG2-CG2 3.81Å; I135-V139 WeakPolarHBondContact O-CG2 3.15Å; I135-V139 PolarHBondContact O-N 3.26Å; I135-A188 HydrophobicContact CG2-CB 4.23Å; I135-T251 HydrophobicContact CD1-CG2 3.95Å; I135-F253 HydrophobicContact CD1-CZ 4.45Å; I135-Y278 HydrophobicContact CG2-CE2 4.09Å; I135-Y278 WeakPolarHBondContact CG2-OH 3.12Å
136	L	98.9	Very high	98.6	Very high	10 Å²	10	27 Å²	27	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-38.6	-175.5	-69	179.6	0	0	0	113.1	C130 L132 P133 Y138 V139 E140 I147 Y278 V326 Q327	C130-L136 WeakPolarHBondContact O-CD2 3.45Å; L132-L136 PolarHBondContact O-N 2.76Å; P133-L136 PolarHBondContact O-N 2.94Å; L136-Y138 PolarHBondContact O-N 3.21Å; L136-V139 PolarHBondContact O-N 3.35Å; L136-V139 VanDerWaalsContact O-N 3.13Å; L136-E140 WeakPolarHBondContact O-CB 3.27Å; L136-E140 PolarHBondContact O-N 2.79Å; L136-I147 HydrophobicContact CD2-CD1 4.21Å; L136-I147 HydrophobicContact CD2-CG2 4.22Å; L136-Y278 HydrophobicContact CD2-CE1 4.17Å; L136-V326 HydrophobicContact CD2-CB 4.3Å; L136-V326 HydrophobicContact CD2-CG2 3.69Å; L136-Q327 HydrophobicContact CD1-CB 4.41Å
137	K	98.3	Very high	98.6	Very high	81 Å²	81	27 Å²	27	35%	0.352	15%	0.146	S	C	.	.	H	α-helix	trans	-58	-33.2	176.1	72.7	-178.2	-173.4	176.4	0	113.6	I48 P133 Q134 I135 C141	I48-K137 HydrophobicContact CD1-CB 4.45Å; I48-K137 HydrophobicContact CG1-CB 4.49Å; I48-K137 HydrophobicContact CG2-CG 4.35Å; P133-K137 PolarHBondContact O-N 3.32Å; P133-K137 VanDerWaalsContact O-N 3.08Å; Q134-K137 WeakPolarHBondContact O-CE 3.15Å; Q134-K137 WeakPolarHBondContact O-CG 3.38Å; I135-K137 VanDerWaalsContact C-N 3.31Å; I135-K137 PolarHBondContact O-N 3.06Å; K137-C141 PolarHBondContact O-SG 3.1Å; K137-C141 VanDerWaalsContact O-SG 3.35Å
138	Y	98.9	Very high	98.6	Very high	31 Å²	31	25.1 Å²	25.1	12%	0.122	14%	0.138	C	C	.	.	H	α-helix	trans	-83.9	-39.4	175.5	-75.8	-79.3	0	0	0	111	I48 L49 I65 L68 Q134 I135 L136 E140 C141 F142 F253	I48-Y138 HydrophobicContact CG2-CD1 3.83Å; I48-Y138 HydrophobicContact CG2-CE1 3.72Å; I48-Y138 HydrophobicContact CG2-CE2 4.5Å; I48-Y138 HydrophobicContact CG2-CG 4.27Å; L49-Y138 HydrophobicContact CD2-CD1 3.62Å; L49-Y138 HydrophobicContact CD2-CE1 3.62Å; L49-Y138 HydrophobicContact CG-CD1 4.33Å; I65-Y138 HydrophobicContact CD1-CD1 4.24Å; I65-Y138 HydrophobicContact CD1-CE1 3.7Å; I65-Y138 HydrophobicContact CG1-CD1 4.08Å; I65-Y138 HydrophobicContact CG1-CE1 3.86Å; I65-Y138 HydrophobicContact CG2-CE1 4.37Å; I65-Y138 HydrophobicContact CG2-CE2 4Å; L68-Y138 HydrophobicContact CD1-CD2 3.79Å; L68-Y138 HydrophobicContact CD1-CE2 3.4Å; L68-Y138 VanDerWaalsContact CD1-CE2 3.4Å; L68-Y138 HydrophobicContact CD2-CD2 3.78Å; L68-Y138 HydrophobicContact CD2-CE2 4.1Å; L68-Y138 HydrophobicContact CG-CD2 4.47Å; L68-Y138 HydrophobicContact CG-CE2 4.43Å; Q134-Y138 WeakPolarHBondContact O-CD2 3.25Å; I135-Y138 PolarHBondContact O-N 2.91Å; L136-Y138 PolarHBondContact O-N 3.21Å; Y138-E140 VanDerWaalsContact C-N 3.27Å; Y138-E140 PolarHBondContact O-N 3.34Å; Y138-C141 WeakPolarHBondContact O-CB 3.42Å; Y138-C141 PolarHBondContact O-N 2.82Å; Y138-F142 WeakPolarHBondContact O-CD2 3.45Å; Y138-F142 WeakPolarHBondContact O-CE2 3.49Å; Y138-F253 VanDerWaalsContact CB-CZ 3.44Å; Y138-F253 HydrophobicContact CD2-CZ 4.44Å; Y138-F253 HydrophobicContact CG-CE2 4.09Å; Y138-F253 HydrophobicContact CG-CZ 4.11Å
139	V	98.9	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.5	-43.2	176.2	174	0	0	0	0	111.3	I135 L136 C141 F142 T143 I147 V186 F253 Y278	I135-V139 HydrophobicContact CG2-CG2 3.81Å; I135-V139 WeakPolarHBondContact O-CG2 3.15Å; I135-V139 PolarHBondContact O-N 3.26Å; L136-V139 PolarHBondContact O-N 3.35Å; L136-V139 VanDerWaalsContact O-N 3.13Å; V139-C141 PolarHBondContact O-N 3.31Å; V139-C141 VanDerWaalsContact O-N 3.13Å; V139-F142 PolarHBondContact O-N 3.4Å; V139-T143 HydrophobicContact CG1-CG2 3.8Å; V139-T143 PolarHBondContact O-N 2.65Å; V139-T143 PolarHBondContact O-OG1 3.45Å; V139-T143 VanDerWaalsContact O-OG1 3.09Å; V139-I147 HydrophobicContact CB-CD1 4.41Å; V139-I147 HydrophobicContact CG1-CD1 4.08Å; V139-I147 HydrophobicContact CG1-CG2 3.63Å; V139-V186 HydrophobicContact CG1-CG1 4.01Å; V139-F253 HydrophobicContact CG2-CE1 4Å; V139-Y278 HydrophobicContact CB-CD2 4.43Å; V139-Y278 HydrophobicContact CB-CG 4.49Å; V139-Y278 HydrophobicContact CG1-CD1 4.08Å; V139-Y278 HydrophobicContact CG1-CD2 3.92Å; V139-Y278 HydrophobicContact CG1-CG 3.59Å; V139-Y278 HydrophobicContact CG2-CD2 3.55Å; V139-Y278 HydrophobicContact CG2-CE2 3.58Å; V139-Y278 HydrophobicContact CG2-CG 4.04Å
140	E	98.8	Very high	98.6	Very high	58 Å²	58	22.8 Å²	22.8	27%	0.271	13%	0.13	S	C	.	.	H	α-helix	trans	-55.7	-31.3	177.8	-175.3	169.6	-179.1	0	0	112.8	T46 L136 Y138 F142 G144 I147 Q327	T46-E140 HydrophobicContact CG2-CG 4.36Å; L136-E140 WeakPolarHBondContact O-CB 3.27Å; L136-E140 PolarHBondContact O-N 2.79Å; Y138-E140 VanDerWaalsContact C-N 3.27Å; Y138-E140 PolarHBondContact O-N 3.34Å; E140-F142 PolarHBondContact O-N 3.39Å; E140-F142 VanDerWaalsContact O-N 3.11Å; E140-G144 WeakPolarHBondContact O-CA 3.48Å; E140-G144 PolarHBondContact O-N 3.39Å; E140-I147 HydrophobicContact CB-CD1 4.05Å; E140-Q327 PolarHBondContact OE2-NE2 3.29Å
141	C	98.8	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-19.7	175.8	-56.2	0	0	0	0	112.8	S43 F44 T46 L49 K137 Y138 V139	S43-C141 CarbonylContact C-O 3.57Å; S43-C141 VanDerWaalsContact CA-O 3.25Å; S43-C141 WeakPolarHBondContact CA-O 3.4Å; F44-C141 PolarHBondContact N-O 3.29Å; T46-C141 PolarHBondContact OG1-SG 2.7Å; L49-C141 HydrophobicContact CD1-CB 3.7Å; L49-C141 HydrophobicContact CG-CB 4.21Å; K137-C141 PolarHBondContact O-SG 3.1Å; K137-C141 VanDerWaalsContact O-SG 3.35Å; Y138-C141 WeakPolarHBondContact O-CB 3.42Å; Y138-C141 PolarHBondContact O-N 2.82Å; V139-C141 PolarHBondContact O-N 3.31Å; V139-C141 VanDerWaalsContact O-N 3.13Å
142	F	98.8	Very high	98.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-110.1	-41.2	-178.5	-48.8	-75.6	0	0	0	111.9	L49 Y57 Y138 V139 E140 R184 V186 F253	L49-F142 HydrophobicContact CD1-CE1 4.33Å; L49-F142 HydrophobicContact CD1-CZ 4.08Å; Y57-F142 HydrophobicContact CD1-CD1 4.15Å; Y57-F142 AromaticContact CD1-CE1 3.76Å; Y57-F142 HydrophobicContact CD1-CE1 3.76Å; Y57-F142 AromaticContact CD2-CE1 3.75Å; Y57-F142 HydrophobicContact CD2-CE1 3.75Å; Y57-F142 HydrophobicContact CD2-CZ 4.24Å; Y57-F142 AromaticContact CE1-CD1 3.66Å; Y57-F142 HydrophobicContact CE1-CD1 3.66Å; Y57-F142 AromaticContact CE1-CE1 3.62Å; Y57-F142 HydrophobicContact CE1-CE1 3.62Å; Y57-F142 HydrophobicContact CE2-CD1 4.28Å; Y57-F142 AromaticContact CE2-CE1 3.63Å; Y57-F142 HydrophobicContact CE2-CE1 3.63Å; Y57-F142 HydrophobicContact CE2-CZ 4.1Å; Y57-F142 AromaticContact CG-CE1 3.82Å; Y57-F142 HydrophobicContact CG-CE1 3.82Å; Y57-F142 AromaticContact CZ-CD1 3.74Å; Y57-F142 AromaticContact CZ-CE1 3.56Å; Y138-F142 WeakPolarHBondContact O-CD2 3.45Å; Y138-F142 WeakPolarHBondContact O-CE2 3.49Å; V139-F142 PolarHBondContact O-N 3.4Å; E140-F142 PolarHBondContact O-N 3.39Å; E140-F142 VanDerWaalsContact O-N 3.11Å; F142-R184 WeakPolarHBondContact O-CD 3.31Å; F142-V186 HydrophobicContact CB-CB 3.92Å; F142-V186 HydrophobicContact CB-CG1 3.96Å; F142-V186 HydrophobicContact CB-CG2 4.35Å; F142-V186 HydrophobicContact CD2-CB 4.1Å; F142-V186 HydrophobicContact CD2-CG1 3.95Å; F142-V186 HydrophobicContact CD2-CG2 3.73Å; F142-V186 HydrophobicContact CE2-CG2 4.13Å; F142-V186 HydrophobicContact CG-CB 4.1Å; F142-V186 HydrophobicContact CG-CG1 4.26Å; F142-V186 HydrophobicContact CG-CG2 3.97Å; F142-F253 HydrophobicContact CE2-CB 3.92Å; F142-F253 AromaticContact CE2-CD1 3.96Å; F142-F253 HydrophobicContact CE2-CD1 3.96Å; F142-F253 AromaticContact CE2-CG 3.95Å; F142-F253 HydrophobicContact CE2-CG 3.95Å; F142-F253 HydrophobicContact CZ-CB 4Å; F142-F253 HydrophobicContact CZ-CG 4.4Å
143	T	98.7	Very high	98.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-90.5	-24.4	-173.8	56.6	0	0	0	0	113.7	V139 V186 S280	V139-T143 HydrophobicContact CG1-CG2 3.8Å; V139-T143 PolarHBondContact O-N 2.65Å; V139-T143 PolarHBondContact O-OG1 3.45Å; V139-T143 VanDerWaalsContact O-OG1 3.09Å; T143-V186 HydrophobicContact CG2-CG1 4.06Å; T143-S280 WeakPolarHBondContact O-CB 3.21Å; T143-S280 PolarHBondContact O-OG 3.49Å; T143-S280 VanDerWaalsContact O-OG 3.1Å
144	G	98.2	Very high	98.6	Very high	6 Å²	6	17.7 Å²	17.7	6%	0.062	9%	0.09	C	C	.	.			trans	80.7	-174.4	-160.1	0	0	0	0	0	112.1	E140 N146 I147	E140-G144 WeakPolarHBondContact O-CA 3.48Å; E140-G144 PolarHBondContact O-N 3.39Å; G144-N146 PolarHBondContact O-N 2.66Å; G144-I147 WeakPolarHBondContact O-CG1 3.36Å
145	P	98	Very high	98.5	Very high	70 Å²	70	17 Å²	17	46%	0.455	9%	0.088	S	C	.	.	S	Bend	trans	-76.1	-21.9	-164.2	29.7	-36.7	0	0	0	114.7	Q327	P145-Q327 CarbonylContact O-C 3.54Å
146	N	98.6	Very high	98.4	Very high	26 Å²	26	17 Å²	17	14%	0.139	9%	0.088	C	C	.	.	S	Bend	trans	-90.2	106.8	177.1	-64.2	-25.2	0	0	0	108.3	G144 S280 G281 D282 E329	G144-N146 PolarHBondContact O-N 2.66Å; N146-S280 CarbonylContact O-C 3.44Å; N146-S280 VanDerWaalsContact O-CA 3.29Å; N146-S280 WeakPolarHBondContact O-CA 3.46Å; N146-G281 PolarHBondContact O-N 3.12Å; N146-D282 PolarHBondContact ND2-OD1 2.77Å; N146-E329 WeakPolarHBondContact CB-O 3.5Å; N146-E329 PolarHBondContact OD1-N 3.49Å
147	I	98.8	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.4	-168.8	-49.3	-179.6	0	0	0	110.3	L136 V139 E140 G144 Y278 V326 Q327	L136-I147 HydrophobicContact CD2-CD1 4.21Å; L136-I147 HydrophobicContact CD2-CG2 4.22Å; V139-I147 HydrophobicContact CB-CD1 4.41Å; V139-I147 HydrophobicContact CG1-CD1 4.08Å; V139-I147 HydrophobicContact CG1-CG2 3.63Å; E140-I147 HydrophobicContact CB-CD1 4.05Å; G144-I147 WeakPolarHBondContact O-CG1 3.36Å; I147-Y278 HydrophobicContact CG2-CD1 3.69Å; I147-Y278 HydrophobicContact CG2-CG 4.24Å; I147-V326 HydrophobicContact CB-CG2 3.91Å; I147-V326 HydrophobicContact CG2-CG2 3.62Å; I147-V326 VanDerWaalsContact O-CG2 3.26Å; I147-V326 WeakPolarHBondContact O-CG2 3.48Å; I147-V326 PolarHBondContact O-N 3.13Å; I147-Q327 HydrophobicContact CB-CB 4.01Å; I147-Q327 HydrophobicContact CD1-CB 3.97Å; I147-Q327 HydrophobicContact CD1-CG 4.44Å; I147-Q327 HydrophobicContact CG1-CB 4.01Å; I147-Q327 PolarHBondContact N-O 3.05Å; I147-Q327 PolarHBondContact O-N 3.19Å
148	M	98.8	Very high	97.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.2	171.9	-62.7	-65.7	-72.5	0	0	109.9	M150 Y278 A279 R324 L325 R330 L333	M148-M150 HydrophobicContact CB-CG 4.14Å; M148-M150 HydrophobicContact CB-SD 3.62Å; M148-Y278 CarbonylContact O-C 3.58Å; M148-Y278 WeakPolarHBondContact O-CA 3.35Å; M148-A279 PolarHBondContact N-O 3.43Å; M148-A279 PolarHBondContact O-N 3.17Å; M148-R324 CarbonylContact C-O 3.44Å; M148-R324 WeakPolarHBondContact CA-O 3.41Å; M148-L325 VanDerWaalsContact SD-CA 3.57Å; M148-L325 HydrophobicContact SD-CB 3.87Å; M148-L325 HydrophobicContact SD-CD1 3.8Å; M148-L325 HydrophobicContact SD-CG 4.48Å; M148-R330 HydrophobicContact CE-CG 4.03Å; M148-R330 HydrophobicContact SD-CB 4.31Å; M148-R330 HydrophobicContact SD-CG 3.98Å; M148-L333 HydrophobicContact CG-CB 4.17Å
149	A	98.7	Very high	97.3	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.033	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.3	164.2	0	0	0	0	0	108.7	F127 C130 Y278 G323 R324 V326	F127-A149 HydrophobicContact CE2-CB 4.13Å; F127-A149 HydrophobicContact CZ-CB 4.5Å; C130-A149 HydrophobicContact CB-CB 4.06Å; A149-Y278 HydrophobicContact CB-CD1 4.25Å; A149-Y278 HydrophobicContact CB-CE1 4.18Å; A149-G323 WeakPolarHBondContact O-CA 3.34Å; A149-R324 PolarHBondContact N-O 3.11Å; A149-R324 PolarHBondContact O-N 2.96Å; A149-V326 HydrophobicContact CB-CG1 3.77Å; A149-V326 HydrophobicContact CB-CG2 4.43Å
150	M	98.5	Very high	96.5	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-37.1	-167.5	-64.6	-58	-67.8	0	0	113.7	M148 F179 H277 A279 W319 R322 L333	M148-M150 HydrophobicContact CB-CG 4.14Å; M148-M150 HydrophobicContact CB-SD 3.62Å; M150-F179 HydrophobicContact CB-CE1 4.47Å; M150-F179 HydrophobicContact CB-CE2 4.48Å; M150-F179 HydrophobicContact CB-CZ 3.86Å; M150-F179 HydrophobicContact CE-CD1 4.01Å; M150-F179 HydrophobicContact CE-CE1 3.76Å; M150-F179 HydrophobicContact CE-CZ 4.05Å; M150-F179 HydrophobicContact CG-CE2 4.23Å; M150-F179 HydrophobicContact CG-CZ 4.03Å; M150-H277 WeakPolarHBondContact CB-O 3.35Å; M150-H277 PolarHBondContact N-O 3.41Å; M150-A279 HydrophobicContact CG-CB 3.72Å; M150-W319 HydrophobicContact CB-CZ3 4.41Å; M150-W319 HydrophobicContact CE-CE3 4.3Å; M150-W319 VanDerWaalsContact O-CZ3 3.29Å; M150-W319 WeakPolarHBondContact O-CZ3 3.38Å; M150-R322 WeakPolarHBondContact O-CD 3.45Å; M150-R322 WeakPolarHBondContact O-CG 3.18Å; M150-L333 HydrophobicContact CE-CD1 3.89Å; M150-L333 HydrophobicContact CG-CD1 4.47Å; M150-L333 HydrophobicContact SD-CD1 3.94Å
151	H	98.4	Very high	95	Very high	17 Å²	17	16.4 Å²	16.4	8%	0.079	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	127.2	178.1	-167.1	51	0	0	0	111.1	Q118 D119 F177 C276 H277 W319 R322	Q118-H151 PolarHBondContact NE2-NE2 3.01Å; D119-H151 IonicContact OD1-CE1 3.17Å; D119-H151 IonicContact OD1-ND1 3.99Å; H151-F177 HydrophobicContact CB-CE1 4.35Å; H151-C276 CarbonylContact O-C 3.55Å; H151-C276 VanDerWaalsContact O-CA 3.27Å; H151-C276 WeakPolarHBondContact O-CA 3.46Å; H151-H277 HydrophobicContact CB-CB 4.14Å; H151-H277 PolarHBondContact N-O 2.81Å; H151-H277 PolarHBondContact O-N 2.74Å; H151-W319 HydrophobicContact CB-CH2 4.09Å; H151-W319 HydrophobicContact CB-CZ3 3.94Å; H151-R322 PolarHBondContact ND1-NH1 2.81Å
152	T	98.6	Very high	93.3	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.2	-175.5	56.4	0	0	0	0	110.7	Q118 D119 F120	Q118-T152 WeakPolarHBondContact CA-O 3.25Å; D119-T152 WeakPolarHBondContact CA-OG1 3.27Å; D119-T152 PolarHBondContact N-O 2.86Å; D119-T152 PolarHBondContact N-OG1 2.94Å; F120-T152 HydrophobicContact CD2-CG2 3.92Å; F120-T152 HydrophobicContact CE2-CG2 3.59Å; F120-T152 HydrophobicContact CZ-CG2 4.09Å; F120-T152 PolarHBondContact N-OG1 3.16Å
153	M	98.6	Very high	91.9	Very high	19 Å²	19	26.7 Å²	26.7	9%	0.094	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.1	178.1	-54.5	-173.4	-79.5	0	0	112.8	K116 L117 Q118 F120 I155 I274 S275	K116-M153 HydrophobicContact CD-SD 4.14Å; L117-M153 CarbonylContact O-C 3.56Å; L117-M153 VanDerWaalsContact O-CA 3.27Å; L117-M153 WeakPolarHBondContact O-CA 3.33Å; Q118-M153 HydrophobicContact CG-CG 4.04Å; Q118-M153 PolarHBondContact NE2-SD 2.91Å; Q118-M153 VanDerWaalsContact NE2-SD 3.44Å; F120-M153 WeakPolarHBondContact CE1-O 3.24Å; M153-I155 HydrophobicContact CB-CG1 4.4Å; M153-I274 CarbonylContact O-C 3.6Å; M153-S275 WeakPolarHBondContact CE-OG 3.18Å; M153-S275 PolarHBondContact N-O 2.89Å; M153-S275 PolarHBondContact O-N 3.13Å
154	L	98.5	Very high	90.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.6	163.6	-168.6	162.8	0	0	0	107.8	F81 K116 L117 F120 L126 M192 A273	F81-L154 HydrophobicContact CB-CD1 3.76Å; F81-L154 HydrophobicContact CB-CD2 4.46Å; F81-L154 HydrophobicContact CD2-CD1 3.93Å; F81-L154 HydrophobicContact CD2-CD2 3.43Å; F81-L154 VanDerWaalsContact CD2-CD2 3.43Å; F81-L154 HydrophobicContact CD2-CG 4.23Å; F81-L154 HydrophobicContact CE2-CD2 3.71Å; F81-L154 HydrophobicContact CG-CD1 4.08Å; F81-L154 HydrophobicContact CG-CD2 3.88Å; F81-L154 HydrophobicContact CZ-CD2 4.36Å; K116-L154 CarbonylContact C-O 3.41Å; K116-L154 VanDerWaalsContact CA-O 3.25Å; K116-L154 WeakPolarHBondContact CA-O 3.35Å; K116-L154 WeakPolarHBondContact CG-O 3.32Å; L117-L154 HydrophobicContact CB-CB 4.26Å; L117-L154 PolarHBondContact N-O 3.45Å; L117-L154 PolarHBondContact O-N 3.16Å; F120-L154 HydrophobicContact CD1-CB 4.46Å; F120-L154 HydrophobicContact CE1-CB 4.21Å; L126-L154 HydrophobicContact CD1-CD1 4.46Å; L126-L154 HydrophobicContact CD2-CD1 3.91Å; L154-M192 HydrophobicContact CD1-CE 4.13Å; L154-M192 HydrophobicContact CD1-SD 4.23Å; L154-M192 HydrophobicContact CG-SD 4.12Å; L154-A273 CarbonylContact C-O 3.55Å; L154-A273 WeakPolarHBondContact CA-O 3.44Å
155	I	97.2	Very high	89.4	Confident	28 Å²	28	32.4 Å²	32.4	14%	0.144	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.3	-171.2	-59.4	155.3	0	0	0	108.2	K116 M153 K272 A273	K116-I155 HydrophobicContact CD-CG1 4.44Å; K116-I155 HydrophobicContact CG-CG1 4.24Å; M153-I155 HydrophobicContact CB-CG1 4.4Å; I155-K272 CarbonylContact O-C 3.57Å; I155-K272 VanDerWaalsContact O-CA 3.25Å; I155-K272 WeakPolarHBondContact O-CA 3.25Å; I155-A273 PolarHBondContact N-O 3.38Å; I155-A273 PolarHBondContact O-N 3.36Å
156	N	95.6	Very high	88.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	79.9	177.6	-174.4	48.8	0	0	0	109.1	F81 Q111 V114 S115 P158 F270 K272	F81-N156 HydrophobicContact CE1-CB 4.2Å; F81-N156 HydrophobicContact CE2-CB 4.23Å; F81-N156 HydrophobicContact CZ-CB 3.57Å; Q111-N156 PolarHBondContact O-ND2 3.13Å; V114-N156 PolarHBondContact O-ND2 3.2Å; S115-N156 WeakPolarHBondContact CA-O 3.35Å; S115-N156 CarbonylContact O-C 3.56Å; S115-N156 WeakPolarHBondContact O-CA 3.26Å; S115-N156 PolarHBondContact O-N 3.27Å; N156-P158 WeakPolarHBondContact O-CD 3.25Å; N156-F270 WeakPolarHBondContact ND2-CD1 3.31Å; N156-F270 VanDerWaalsContact OD1-CB 3.24Å; N156-F270 WeakPolarHBondContact OD1-CB 3.38Å; N156-K272 HydrophobicContact CB-CG 4.45Å; N156-K272 WeakPolarHBondContact OD1-CE 3.25Å; N156-K272 VanDerWaalsContact OD1-CG 3.26Å; N156-K272 WeakPolarHBondContact OD1-CG 3.43Å; N156-K272 PolarHBondContact OD1-NZ 3.03Å
157	K	92.9	Very high	87.4	Confident	7 Å²	7	30.8 Å²	30.8	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	119.4	-168.1	-172.2	177.6	-165.5	-60.9	0	111.6	S166 G263 M264 N265 F270 R271	K157-S166 WeakPolarHBondContact CE-O 3.37Å; K157-S166 PolarHBondContact NZ-O 3.43Å; K157-S166 PolarHBondContact NZ-OG 3.43Å; K157-G263 WeakPolarHBondContact CE-O 3.25Å; K157-G263 PolarHBondContact NZ-O 3.21Å; K157-M264 VanDerWaalsContact NZ-C 3.27Å; K157-N265 HydrophobicContact CD-CB 4.17Å; K157-N265 HydrophobicContact CG-CB 4.19Å; K157-N265 PolarHBondContact O-ND2 2.85Å; K157-N265 VanDerWaalsContact O-ND2 3.14Å; K157-F270 CarbonylContact O-C 3.58Å; K157-F270 VanDerWaalsContact O-CA 3.25Å; K157-F270 WeakPolarHBondContact O-CA 3.45Å; K157-R271 HydrophobicContact CB-CB 4.27Å; K157-R271 PolarHBondContact N-O 3.35Å; K157-R271 PolarHBondContact O-N 2.92Å
158	P	90.9	Very high	86.8	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.019	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-72.1	156.7	-176	29.7	-35.2	0	0	0	112.6	D99 A101 I102 N156 N265 F270	D99-P158 HydrophobicContact CB-CG 4.07Å; A101-P158 HydrophobicContact CB-CG 4.34Å; I102-P158 HydrophobicContact CG2-CB 4.31Å; N156-P158 WeakPolarHBondContact O-CD 3.25Å; P158-N265 WeakPolarHBondContact O-CB 3.42Å; P158-N265 PolarHBondContact O-ND2 2.91Å; P158-F270 HydrophobicContact CB-CD1 4.09Å; P158-F270 HydrophobicContact CB-CE1 3.56Å; P158-F270 HydrophobicContact CB-CZ 3.96Å
159	P	88.6	Confident	86.5	Confident	41 Å²	41	32.9 Å²	32.9	27%	0.266	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-52.7	142.7	163.7	-29.1	37.9	0	0	0	112.7	T267 Q268 F270	P159-T267 VanDerWaalsContact CB-O 3.27Å; P159-T267 WeakPolarHBondContact CB-O 3.5Å; P159-Q268 WeakPolarHBondContact CG-O 3.46Å; P159-F270 HydrophobicContact CG-CD2 4.29Å; P159-F270 HydrophobicContact CG-CE2 4.26Å
160	D	82.1	Confident	86.4	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.027	19%	0.19	C	C	.	.			trans	-146.4	94.8	-179.4	-177.7	-8.2	0	0	0	109.5	G162 K163 K164 T165 S166 N265	D160-G162 PolarHBondContact O-N 3.1Å; D160-G162 PolarHBondContact OD1-N 2.97Å; D160-K163 PolarHBondContact OD1-N 3.32Å; D160-K164 PolarHBondContact OD1-N 2.84Å; D160-K164 VanDerWaalsContact OD2-C 3.23Å; D160-K164 VanDerWaalsContact OD2-CA 3.24Å; D160-K164 WeakPolarHBondContact OD2-CA 3.47Å; D160-K164 PolarHBondContact OD2-N 2.95Å; D160-T165 PolarHBondContact OD2-N 2.89Å; D160-S166 WeakPolarHBondContact CB-OG 3Å; D160-S166 PolarHBondContact OD2-N 2.78Å; D160-S166 PolarHBondContact OD2-OG 3.17Å; D160-N265 CarbonylContact C-O 3.6Å; D160-N265 PolarHBondContact N-O 3.36Å
161	A	67.1	Low	86.3	Confident	110 Å²	110	33.8 Å²	33.8	91%	0.909	19%	0.191	S	C	*	.	S	Bend	trans	-72.6	16.9	-177.1	0	0	0	0	0	114.1
162	G	64.7	Low	86.3	Confident	49 Å²	49	33 Å²	33	51%	0.505	19%	0.187	S	C	.	.	S	Bend	trans	124.9	7	173.2	0	0	0	0	0	115.4	D160 K164	D160-G162 PolarHBondContact O-N 3.1Å; D160-G162 PolarHBondContact OD1-N 2.97Å; G162-K164 PolarHBondContact O-N 2.72Å
163	K	68.1	Low	86.3	Confident	169 Å²	169	33.5 Å²	33.5	74%	0.735	19%	0.19	S	C	*	.	S	Bend	trans	-80.5	-7.8	175.5	-65.6	-175	-179.5	178	0	112.6	D160 T165	D160-K163 PolarHBondContact OD1-N 3.32Å; K163-T165 HydrophobicContact CB-CG2 3.97Å; K163-T165 PolarHBondContact O-N 3.18Å; K163-T165 VanDerWaalsContact O-N 3.14Å
164	K	73.8	Confident	86.3	Confident	106 Å²	106	32.7 Å²	32.7	46%	0.461	19%	0.186	S	C	.	.			trans	60.5	20.3	178.4	-62.7	165.8	171.7	176.4	0	113	D160 G162 R167 M264	D160-K164 PolarHBondContact OD1-N 2.84Å; D160-K164 VanDerWaalsContact OD2-C 3.23Å; D160-K164 VanDerWaalsContact OD2-CA 3.24Å; D160-K164 WeakPolarHBondContact OD2-CA 3.47Å; D160-K164 PolarHBondContact OD2-N 2.95Å; G162-K164 PolarHBondContact O-N 2.72Å; K164-R167 WeakPolarHBondContact O-CD 3.39Å; K164-R167 VanDerWaalsContact O-CG 3.25Å; K164-R167 WeakPolarHBondContact O-CG 3.4Å; K164-R167 PolarHBondContact O-NE 3.3Å; K164-R167 VanDerWaalsContact O-NE 3.14Å; K164-M264 HydrophobicContact CB-SD 4.07Å; K164-M264 HydrophobicContact CG-CG 4.36Å; K164-M264 HydrophobicContact CG-SD 3.38Å; K164-M264 WeakPolarHBondContact CG-SD 3.24Å
165	T	71.3	Confident	86.3	Confident	23 Å²	23	32.7 Å²	32.7	14%	0.141	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-27.9	-177.6	47.9	0	0	0	0	112.6	V100 A101 D160 K163 N226	V100-T165 HydrophobicContact CG2-CG2 4.18Å; A101-T165 WeakPolarHBondContact CB-OG1 3.33Å; D160-T165 PolarHBondContact OD2-N 2.89Å; K163-T165 HydrophobicContact CB-CG2 3.97Å; K163-T165 PolarHBondContact O-N 3.18Å; K163-T165 VanDerWaalsContact O-N 3.14Å; T165-N226 PolarHBondContact O-ND2 3.17Å
166	S	73.8	Confident	86.3	Confident	5 Å²	5	33 Å²	33	4%	0.035	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.5	-178	71.1	0	0	0	0	114.2	K157 D160 N265	K157-S166 WeakPolarHBondContact CE-O 3.37Å; K157-S166 PolarHBondContact NZ-O 3.43Å; K157-S166 PolarHBondContact NZ-OG 3.43Å; D160-S166 WeakPolarHBondContact CB-OG 3Å; D160-S166 PolarHBondContact OD2-N 2.78Å; D160-S166 PolarHBondContact OD2-OG 3.17Å; S166-N265 PolarHBondContact OG-N 2.86Å
167	R	79.8	Confident	86.4	Confident	57 Å²	57	33.2 Å²	33.2	22%	0.215	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-76.8	144.9	-177.3	76.5	-170.3	161.5	174.8	-10	109.8	K164 W221 S262 M264	K164-R167 WeakPolarHBondContact O-CD 3.39Å; K164-R167 VanDerWaalsContact O-CG 3.25Å; K164-R167 WeakPolarHBondContact O-CG 3.4Å; K164-R167 PolarHBondContact O-NE 3.3Å; K164-R167 VanDerWaalsContact O-NE 3.14Å; R167-W221 HydrophobicContact CG-CE3 4.19Å; R167-W221 HydrophobicContact CG-CH2 3.45Å; R167-W221 VanDerWaalsContact CG-CH2 3.45Å; R167-W221 HydrophobicContact CG-CZ2 4.4Å; R167-W221 HydrophobicContact CG-CZ3 3.32Å; R167-W221 VanDerWaalsContact CZ-CD2 3.42Å; R167-W221 VanDerWaalsContact CZ-CE2 3.47Å; R167-W221 VanDerWaalsContact NE-CH2 3.33Å; R167-S262 WeakPolarHBondContact CA-O 3.43Å; R167-M264 HydrophobicContact CB-CG 4.46Å
168	H	87.4	Confident	86.6	Confident	37 Å²	37	32.9 Å²	32.9	17%	0.171	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.5	170.5	-157.8	151.6	0	0	0	106.8	H171 Y229 S262	H168-H171 AromaticContact CD2-CE1 3.6Å; H168-H171 AromaticContact CD2-ND1 3.55Å; H168-H171 AromaticContact CE1-CE1 3.49Å; H168-H171 PolarHBondContact CE1-CE1 3.09Å; H168-H171 VanDerWaalsContact CE1-CE1 3.49Å; H168-H171 AromaticContact CE1-NE2 3.68Å; H168-H171 AromaticContact CG-CE1 3.97Å; H168-H171 AromaticContact ND1-CE1 3.88Å; H168-H171 AromaticContact NE2-CE1 3.37Å; H168-H171 PolarHBondContact NE2-CE1 3.04Å; H168-H171 AromaticContact NE2-CG 4Å; H168-H171 AromaticContact NE2-ND1 3.58Å; H168-H171 AromaticContact NE2-NE2 3.62Å; H168-Y229 HydrophobicContact CB-CD2 4.43Å; H168-Y229 HydrophobicContact CB-CE2 4.19Å; H168-Y229 AromaticContact CD2-CD2 3.89Å; H168-Y229 AromaticContact CG-CE2 3.92Å; H168-S262 WeakPolarHBondContact CB-OG 3.45Å; H168-S262 PolarHBondContact N-O 2.95Å; H168-S262 PolarHBondContact N-OG 3.4Å; H168-S262 PolarHBondContact O-N 3.34Å
169	P	92.5	Very high	86.9	Confident	6 Å²	6	32.8 Å²	32.8	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	157.2	175.2	20	-31.9	0	0	0	112.4	H171 P219 W221 Y229	P169-H171 PolarHBondContact O-N 3.11Å; P169-H171 PolarHBondContact O-ND1 2.87Å; P169-P219 HydrophobicContact CB-CG 3.76Å; P169-P219 HydrophobicContact CG-CG 3.94Å; P169-W221 HydrophobicContact CB-CH2 3.61Å; P169-W221 HydrophobicContact CB-CZ2 3.92Å; P169-W221 HydrophobicContact CG-CH2 4.05Å; P169-Y229 VanDerWaalsContact CG-O 3.32Å; P169-Y229 WeakPolarHBondContact CG-O 3.44Å
170	M	95.9	Very high	87.4	Confident	20 Å²	20	32.5 Å²	32.5	10%	0.099	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	119.4	170.1	-59.6	-54.7	-58.1	0	0	108.2	L205 G231 V232 Y235 I259 H260	M170-L205 HydrophobicContact CE-CD1 3.37Å; M170-G231 CarbonylContact O-C 3.48Å; M170-G231 VanDerWaalsContact O-CA 3.27Å; M170-G231 WeakPolarHBondContact O-CA 3.46Å; M170-V232 PolarHBondContact O-N 2.96Å; M170-Y235 HydrophobicContact CB-CD1 4.34Å; M170-Y235 HydrophobicContact CB-CE1 3.72Å; M170-Y235 HydrophobicContact CG-CE1 4.06Å; M170-Y235 HydrophobicContact CG-CE2 4.26Å; M170-Y235 WeakPolarHBondContact CG-OH 3.4Å; M170-I259 HydrophobicContact CB-CG2 3.99Å; M170-I259 HydrophobicContact CE-CG2 3.84Å; M170-H260 CarbonylContact C-O 3.58Å; M170-H260 VanDerWaalsContact CA-O 3.3Å; M170-H260 WeakPolarHBondContact CA-O 3.11Å
171	H	97.6	Very high	88.2	Confident	5 Å²	5	35 Å²	35	2%	0.023	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	173.5	-172.7	69.7	-69.8	0	0	0	111	H168 P169 D173 H230 I259 H260	H168-H171 AromaticContact CD2-CE1 3.6Å; H168-H171 AromaticContact CD2-ND1 3.55Å; H168-H171 AromaticContact CE1-CE1 3.49Å; H168-H171 PolarHBondContact CE1-CE1 3.09Å; H168-H171 VanDerWaalsContact CE1-CE1 3.49Å; H168-H171 AromaticContact CE1-NE2 3.68Å; H168-H171 AromaticContact CG-CE1 3.97Å; H168-H171 AromaticContact ND1-CE1 3.88Å; H168-H171 AromaticContact NE2-CE1 3.37Å; H168-H171 PolarHBondContact NE2-CE1 3.04Å; H168-H171 AromaticContact NE2-CG 4Å; H168-H171 AromaticContact NE2-ND1 3.58Å; H168-H171 AromaticContact NE2-NE2 3.62Å; P169-H171 PolarHBondContact O-N 3.11Å; P169-H171 PolarHBondContact O-ND1 2.87Å; H171-D173 IonicContact CD2-OD1 2.71Å; H171-D173 IonicContact NE2-OD1 3.93Å; H171-D173 PolarHBondContact NE2-OD1 2.83Å; H171-D173 VanDerWaalsContact NE2-OD1 3.17Å; H171-H230 VanDerWaalsContact CB-O 3.22Å; H171-H230 WeakPolarHBondContact CB-O 3.4Å; H171-I259 WeakPolarHBondContact O-CA 3.49Å; H171-H260 AromaticContact CE1-CD2 3.88Å; H171-H260 AromaticContact CE1-CE1 3.65Å; H171-H260 AromaticContact CE1-NE2 3.32Å; H171-H260 PolarHBondContact CE1-NE2 3.41Å; H171-H260 VanDerWaalsContact CE1-NE2 3.32Å; H171-H260 PolarHBondContact N-O 2.74Å; H171-H260 PolarHBondContact ND1-O 3.04Å; H171-H260 AromaticContact NE2-CE1 3.51Å; H171-H260 AromaticContact NE2-NE2 3.44Å; H171-H260 PolarHBondContact NE2-NE2 3.46Å; H171-H260 PolarHBondContact O-N 2.72Å
172	Q	98.5	Very high	89.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.157	C	C	.	.			trans	-121.9	125	170.2	-66.8	174.8	-66.3	0	0	106.4	L174 H175 T212 L213 H216 V232 P256 L257 I259	Q172-L174 PolarHBondContact O-N 2.9Å; Q172-H175 VanDerWaalsContact O-CB 3.29Å; Q172-H175 WeakPolarHBondContact O-CB 3.17Å; Q172-H175 PolarHBondContact O-N 3.38Å; Q172-H175 VanDerWaalsContact O-N 3.13Å; Q172-T212 PolarHBondContact NE2-O 3.09Å; Q172-T212 VanDerWaalsContact NE2-O 3.16Å; Q172-L213 HydrophobicContact CB-CD1 4.21Å; Q172-H216 PolarHBondContact N-NE2 2.88Å; Q172-V232 HydrophobicContact CG-CG2 4.27Å; Q172-P256 CarbonylContact C-O 3.55Å; Q172-L257 PolarHBondContact NE2-O 3.2Å; Q172-I259 HydrophobicContact CG-CG1 3.8Å
173	D	98.5	Very high	91.3	Very high	12 Å²	12	29.4 Å²	29.4	6%	0.064	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-59.4	-32.1	-178.4	-73.8	-31.3	0	0	0	112.2	H171 H175 Y176 F177 F254 P256 H260 H277	H171-D173 IonicContact CD2-OD1 2.71Å; H171-D173 IonicContact NE2-OD1 3.93Å; H171-D173 PolarHBondContact NE2-OD1 2.83Å; H171-D173 VanDerWaalsContact NE2-OD1 3.17Å; D173-H175 PolarHBondContact O-N 2.75Å; D173-Y176 PolarHBondContact O-N 2.95Å; D173-F177 HydrophobicContact CB-CD2 4.49Å; D173-F177 HydrophobicContact CB-CE2 3.68Å; D173-F177 HydrophobicContact CB-CZ 3.94Å; D173-F254 WeakPolarHBondContact OD2-CE2 3.29Å; D173-P256 HydrophobicContact CB-CB 4.36Å; D173-P256 PolarHBondContact N-O 3.49Å; D173-P256 VanDerWaalsContact N-O 3.09Å; D173-H260 IonicContact OD1-CE1 2.91Å; D173-H260 PolarHBondContact OD1-CE1 2.86Å; D173-H260 IonicContact OD1-NE2 2.69Å; D173-H260 IonicContact OD2-CE1 3.42Å; D173-H260 PolarHBondContact OD2-CE1 2.86Å; D173-H260 IonicContact OD2-NE2 3.43Å; D173-H277 VanDerWaalsContact CG-NE2 3.25Å; D173-H277 IonicContact OD1-NE2 3.81Å; D173-H277 IonicContact OD2-CD2 2.84Å; D173-H277 IonicContact OD2-CE1 2.93Å; D173-H277 IonicContact OD2-NE2 3.79Å; D173-H277 PolarHBondContact OD2-NE2 3.05Å
174	L	98.4	Very high	92.7	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-56.6	-25.2	-180	-164.2	75	0	0	0	112.9	Q172 Y176 F177 T182 I185 L213 P256 L257 Q293	Q172-L174 PolarHBondContact O-N 2.9Å; L174-Y176 PolarHBondContact O-N 2.84Å; L174-Y176 VanDerWaalsContact O-N 3.12Å; L174-F177 HydrophobicContact CD1-CB 4.32Å; L174-F177 PolarHBondContact O-N 3.48Å; L174-T182 HydrophobicContact CD1-CG2 3.75Å; L174-T182 HydrophobicContact CD2-CG2 3.25Å; L174-T182 HydrophobicContact CG-CG2 4.14Å; L174-I185 HydrophobicContact CD1-CD1 3.99Å; L174-L213 HydrophobicContact CB-CD1 4.26Å; L174-L213 HydrophobicContact CD2-CB 4.4Å; L174-L213 HydrophobicContact CD2-CD2 4.43Å; L174-P256 HydrophobicContact CB-CB 3.95Å; L174-P256 HydrophobicContact CB-CG 4.48Å; L174-P256 HydrophobicContact CD1-CB 4.08Å; L174-P256 HydrophobicContact CD1-CG 3.99Å; L174-P256 PolarHBondContact N-O 2.99Å; L174-P256 VanDerWaalsContact N-O 3.08Å; L174-L257 HydrophobicContact CB-CD2 4.05Å; L174-L257 HydrophobicContact CD2-CD2 3.42Å; L174-L257 VanDerWaalsContact CD2-CD2 3.42Å; L174-L257 HydrophobicContact CD2-CG 3.94Å; L174-L257 HydrophobicContact CG-CD2 4.4Å; L174-Q293 PolarHBondContact O-NE2 3.13Å
175	H	97.8	Very high	93.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-51.3	-35.8	174.4	-178.3	65	0	0	0	112	Q172 D173 L213 H216 T292 Q293 N295 I296	Q172-H175 VanDerWaalsContact O-CB 3.29Å; Q172-H175 WeakPolarHBondContact O-CB 3.17Å; Q172-H175 PolarHBondContact O-N 3.38Å; Q172-H175 VanDerWaalsContact O-N 3.13Å; D173-H175 PolarHBondContact O-N 2.75Å; H175-L213 HydrophobicContact CB-CD1 4.23Å; H175-H216 AromaticContact CG-CG 3.58Å; H175-H216 AromaticContact CG-ND1 3.53Å; H175-H216 AromaticContact ND1-CG 3.69Å; H175-H216 AromaticContact ND1-ND1 3.38Å; H175-H216 PolarHBondContact ND1-ND1 3.44Å; H175-T292 PolarHBondContact CE1-O 3.26Å; H175-Q293 WeakPolarHBondContact O-CG 3.38Å; H175-Q293 PolarHBondContact O-NE2 3.24Å; H175-N295 PolarHBondContact CE1-OD1 3.03Å; H175-I296 VanDerWaalsContact O-CG2 3.32Å; H175-I296 WeakPolarHBondContact O-CG2 3.22Å
176	Y	96.9	Very high	95.2	Very high	34 Å²	34	17.8 Å²	17.8	13%	0.133	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-87.5	-12.1	-179.2	-60.6	-85.2	0	0	0	113.9	D173 L174 P178 M228 H230 I296 W319	D173-Y176 PolarHBondContact O-N 2.95Å; L174-Y176 PolarHBondContact O-N 2.84Å; L174-Y176 VanDerWaalsContact O-N 3.12Å; Y176-P178 WeakPolarHBondContact O-CD 3.29Å; Y176-M228 HydrophobicContact CE1-CB 4.35Å; Y176-M228 HydrophobicContact CE1-SD 4.13Å; Y176-M228 PolarHBondContact OH-O 2.77Å; Y176-H230 AromaticContact CE1-ND1 3.79Å; Y176-H230 AromaticContact CZ-ND1 3.71Å; Y176-H230 PolarHBondContact OH-N 3.39Å; Y176-H230 VanDerWaalsContact OH-N 3.11Å; Y176-H230 PolarHBondContact OH-ND1 2.93Å; Y176-I296 HydrophobicContact CD1-CD1 3.51Å; Y176-I296 HydrophobicContact CD1-CG1 3.67Å; Y176-I296 HydrophobicContact CE1-CD1 3.58Å; Y176-I296 HydrophobicContact CE1-CG1 4.17Å; Y176-W319 WeakPolarHBondContact O-CZ2 3.1Å
177	F	97.6	Very high	96.4	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.018	8%	0.083	C	C	.	.			trans	-105.1	114.3	-169.3	-56.8	-22.9	0	0	0	111.8	H151 D173 L174 F179 R180 I185 P256 H277 Q293 W319	H151-F177 HydrophobicContact CB-CE1 4.35Å; D173-F177 HydrophobicContact CB-CD2 4.49Å; D173-F177 HydrophobicContact CB-CE2 3.68Å; D173-F177 HydrophobicContact CB-CZ 3.94Å; L174-F177 HydrophobicContact CD1-CB 4.32Å; L174-F177 PolarHBondContact O-N 3.48Å; F177-F179 HydrophobicContact CB-CD1 4.25Å; F177-F179 HydrophobicContact CB-CE1 3.77Å; F177-F179 HydrophobicContact CB-CE2 4.12Å; F177-F179 HydrophobicContact CB-CZ 3.7Å; F177-F179 HydrophobicContact CD1-CE1 4.3Å; F177-F179 HydrophobicContact CD1-CZ 4.07Å; F177-F179 HydrophobicContact CD2-CE2 4.46Å; F177-F179 HydrophobicContact CD2-CZ 4.18Å; F177-F179 HydrophobicContact CG-CE1 4.12Å; F177-F179 HydrophobicContact CG-CE2 4.32Å; F177-F179 AromaticContact CG-CZ 3.71Å; F177-F179 HydrophobicContact CG-CZ 3.71Å; F177-F179 PolarHBondContact O-N 2.88Å; F177-R180 PolarHBondContact O-NH1 3.03Å; F177-I185 HydrophobicContact CD2-CG2 4.34Å; F177-I185 HydrophobicContact CE2-CG2 4.46Å; F177-P256 HydrophobicContact CD2-CB 4.39Å; F177-P256 HydrophobicContact CE2-CB 4.42Å; F177-H277 HydrophobicContact CE2-CB 4.21Å; F177-H277 AromaticContact CE2-CD2 3.52Å; F177-H277 AromaticContact CE2-CG 3.93Å; F177-H277 HydrophobicContact CZ-CB 3.93Å; F177-H277 AromaticContact CZ-CD2 3.46Å; F177-H277 VanDerWaalsContact CZ-CD2 3.46Å; F177-H277 WeakPolarHBondContact CZ-CD2 3.39Å; F177-H277 AromaticContact CZ-CG 3.52Å; F177-H277 AromaticContact CZ-ND1 3.97Å; F177-H277 AromaticContact CZ-NE2 3.85Å; F177-Q293 PolarHBondContact O-NE2 3.28Å; F177-W319 AromaticContact CD1-CH2 3.4Å; F177-W319 HydrophobicContact CD1-CH2 3.4Å; F177-W319 VanDerWaalsContact CD1-CH2 3.4Å; F177-W319 AromaticContact CD1-CZ2 3.77Å; F177-W319 HydrophobicContact CD1-CZ2 3.77Å; F177-W319 HydrophobicContact CD1-CZ3 4.14Å; F177-W319 AromaticContact CE1-CH2 3.58Å; F177-W319 HydrophobicContact CE1-CH2 3.58Å; F177-W319 HydrophobicContact CE1-CZ2 4.29Å; F177-W319 HydrophobicContact CE1-CZ3 4.33Å
178	P	97	Very high	97.3	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.073	C	C	.	.			trans	-89.1	36.7	177.2	37.9	-37.4	0	0	0	112.1	Y176 Y285 I286 V288 F315 W319	Y176-P178 WeakPolarHBondContact O-CD 3.29Å; P178-Y285 HydrophobicContact CG-CD1 4.46Å; P178-Y285 CarbonylContact O-C 3.51Å; P178-Y285 VanDerWaalsContact O-CA 3.25Å; P178-Y285 WeakPolarHBondContact O-CA 3.19Å; P178-I286 HydrophobicContact CB-CG1 4.49Å; P178-I286 WeakPolarHBondContact O-CG1 3.19Å; P178-I286 PolarHBondContact O-N 3.06Å; P178-V288 HydrophobicContact CB-CG1 3.94Å; P178-F315 HydrophobicContact CB-CD1 3.6Å; P178-F315 HydrophobicContact CB-CE1 3.55Å; P178-F315 HydrophobicContact CG-CD1 3.59Å; P178-F315 HydrophobicContact CG-CE1 3.44Å; P178-F315 VanDerWaalsContact CG-CE1 3.44Å; P178-F315 HydrophobicContact CG-CG 4.41Å; P178-F315 HydrophobicContact CG-CZ 4.13Å; P178-W319 VanDerWaalsContact CD-CD1 3.49Å; P178-W319 HydrophobicContact CG-CG 4Å
179	F	98.2	Very high	97.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.4	178.2	47.8	-91.6	0	0	0	112.7	M150 F177 I185 A279 Y284 Y285 W319 L333	M150-F179 HydrophobicContact CB-CE1 4.47Å; M150-F179 HydrophobicContact CB-CE2 4.48Å; M150-F179 HydrophobicContact CB-CZ 3.86Å; M150-F179 HydrophobicContact CE-CD1 4.01Å; M150-F179 HydrophobicContact CE-CE1 3.76Å; M150-F179 HydrophobicContact CE-CZ 4.05Å; M150-F179 HydrophobicContact CG-CE2 4.23Å; M150-F179 HydrophobicContact CG-CZ 4.03Å; F177-F179 HydrophobicContact CB-CD1 4.25Å; F177-F179 HydrophobicContact CB-CE1 3.77Å; F177-F179 HydrophobicContact CB-CE2 4.12Å; F177-F179 HydrophobicContact CB-CZ 3.7Å; F177-F179 HydrophobicContact CD1-CE1 4.3Å; F177-F179 HydrophobicContact CD1-CZ 4.07Å; F177-F179 HydrophobicContact CD2-CE2 4.46Å; F177-F179 HydrophobicContact CD2-CZ 4.18Å; F177-F179 HydrophobicContact CG-CE1 4.12Å; F177-F179 HydrophobicContact CG-CE2 4.32Å; F177-F179 AromaticContact CG-CZ 3.71Å; F177-F179 HydrophobicContact CG-CZ 3.71Å; F177-F179 PolarHBondContact O-N 2.88Å; F179-I185 HydrophobicContact CD2-CD1 3.53Å; F179-I185 HydrophobicContact CD2-CG1 4.11Å; F179-I185 HydrophobicContact CE2-CD1 3.6Å; F179-I185 HydrophobicContact CE2-CG1 4.01Å; F179-I185 HydrophobicContact CE2-CG2 4.32Å; F179-A279 HydrophobicContact CD2-CB 4.12Å; F179-A279 HydrophobicContact CE2-CB 3.87Å; F179-Y284 CarbonylContact C-O 3.6Å; F179-Y284 WeakPolarHBondContact CA-O 3.4Å; F179-Y284 WeakPolarHBondContact CB-O 3.36Å; F179-Y285 HydrophobicContact CB-CD1 4.1Å; F179-Y285 HydrophobicContact CB-CE1 4.36Å; F179-Y285 HydrophobicContact CD1-CD1 4.43Å; F179-Y285 HydrophobicContact CD1-CE1 4.12Å; F179-W319 AromaticContact CE1-CD2 3.96Å; F179-W319 HydrophobicContact CE1-CD2 3.96Å; F179-W319 AromaticContact CE1-CE3 3.67Å; F179-W319 HydrophobicContact CE1-CE3 3.67Å; F179-W319 HydrophobicContact CE1-CH2 4.48Å; F179-W319 AromaticContact CE1-CZ3 3.93Å; F179-W319 HydrophobicContact CE1-CZ3 3.93Å; F179-W319 HydrophobicContact CZ-CE3 4.42Å; F179-W319 HydrophobicContact CZ-CZ3 4.32Å; F179-L333 HydrophobicContact CB-CD1 4.44Å; F179-L333 HydrophobicContact CB-CD2 3.83Å; F179-L333 HydrophobicContact CD2-CD1 4.15Å; F179-L333 HydrophobicContact CG-CD1 4.31Å; F179-L333 HydrophobicContact CG-CD2 4.38Å
180	R	98.4	Very high	98.2	Very high	36 Å²	36	13.2 Å²	13.2	14%	0.136	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.9	-170.2	-67.9	-59.7	-177.6	-79.2	-4.5	111.1	F177 C283 Y284 I286	F177-R180 PolarHBondContact O-NH1 3.03Å; R180-C283 CarbonylContact O-C 3.53Å; R180-C283 WeakPolarHBondContact O-CA 3.49Å; R180-C283 WeakPolarHBondContact O-CB 3.24Å; R180-C283 PolarHBondContact O-SG 3.47Å; R180-C283 VanDerWaalsContact O-SG 3.38Å; R180-Y284 HydrophobicContact CB-CE1 4.19Å; R180-Y284 HydrophobicContact CB-CE2 4.11Å; R180-Y284 PolarHBondContact N-O 3.37Å; R180-Y284 WeakPolarHBondContact O-CD1 3.41Å; R180-Y284 PolarHBondContact O-N 3.3Å; R180-I286 HydrophobicContact CB-CG2 4.27Å; R180-I286 HydrophobicContact CG-CD1 4.28Å; R180-I286 HydrophobicContact CG-CG2 3.78Å
181	P	98.4	Very high	98.3	Very high	56 Å²	56	12.3 Å²	12.3	36%	0.364	6%	0.06	S	C	.	.			cis	-73.8	151.9	-2	30.6	-36.3	0	0	0	113.5	D183 R184	P181-D183 VanDerWaalsContact C-N 3.29Å; P181-D183 PolarHBondContact O-N 3.46Å; P181-R184 HydrophobicContact CG-CB 4.19Å; P181-R184 HydrophobicContact CG-CG 3.79Å; P181-R184 PolarHBondContact O-N 3.1Å
182	T	98.2	Very high	98.4	Very high	20 Å²	20	12.1 Å²	12.1	12%	0.123	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-61.8	-36.7	-177.1	53.3	0	0	0	0	113.3	L174 R184 I185 H255 L257	L174-T182 HydrophobicContact CD1-CG2 3.75Å; L174-T182 HydrophobicContact CD2-CG2 3.25Å; L174-T182 HydrophobicContact CG-CG2 4.14Å; T182-R184 PolarHBondContact O-N 2.9Å; T182-R184 VanDerWaalsContact O-N 3.09Å; T182-I185 WeakPolarHBondContact O-CB 3.44Å; T182-I185 PolarHBondContact O-N 3.25Å; T182-I185 VanDerWaalsContact O-N 3.1Å; T182-H255 PolarHBondContact O-NE2 3.32Å; T182-L257 HydrophobicContact CG2-CD1 4.42Å
183	D	98.6	Very high	98.4	Very high	23 Å²	23	14.1 Å²	14.1	12%	0.123	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-72.1	-5.7	-173.4	-53.9	-1.4	0	0	0	112.6	R41 Y42 P181 H255	R41-D183 WeakPolarHBondContact CG-OD2 3.49Å; R41-D183 IonicContact CZ-OD2 3.35Å; R41-D183 IonicContact NE-OD1 2.8Å; R41-D183 IonicContact NE-OD2 3.08Å; R41-D183 PolarHBondContact NE-OD2 2.81Å; R41-D183 IonicContact NH2-OD1 3.29Å; R41-D183 PolarHBondContact NH2-OD1 3.29Å; R41-D183 IonicContact NH2-OD2 2.7Å; R41-D183 PolarHBondContact NH2-OD2 3.24Å; R41-D183 VanDerWaalsContact NH2-OD2 3.17Å; Y42-D183 HydrophobicContact CD1-CB 3.98Å; Y42-D183 HydrophobicContact CE1-CB 4.4Å; Y42-D183 WeakPolarHBondContact CE1-OD1 3.03Å; P181-D183 VanDerWaalsContact C-N 3.29Å; P181-D183 PolarHBondContact O-N 3.46Å; D183-H255 IonicContact OD1-NE2 3.74Å; D183-H255 PolarHBondContact OD1-NE2 2.95Å
184	R	98.6	Very high	98.4	Very high	53 Å²	53	20 Å²	20	20%	0.2	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-111.8	22.1	176.8	-56.2	-62	166	-124	-2.8	112.3	R41 F44 F142 P181 T182 A279 S280	R41-R184 PolarHBondContact O-NH1 2.95Å; R41-R184 PolarHBondContact O-NH2 3.08Å; F44-R184 VanDerWaalsContact CZ-CZ 3.41Å; F44-R184 VanDerWaalsContact CZ-NE 3.28Å; F142-R184 WeakPolarHBondContact O-CD 3.31Å; P181-R184 HydrophobicContact CG-CB 4.19Å; P181-R184 HydrophobicContact CG-CG 3.79Å; P181-R184 PolarHBondContact O-N 3.1Å; T182-R184 PolarHBondContact O-N 2.9Å; T182-R184 VanDerWaalsContact O-N 3.09Å; R184-A279 CarbonylContact O-C 3.53Å; R184-A279 WeakPolarHBondContact O-CA 3.38Å; R184-S280 PolarHBondContact O-N 3.42Å
185	I	98.9	Very high	98.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.3	175.5	-56.2	168.6	0	0	0	107.5	L174 F177 F179 T182 P256 Y278 A279	L174-I185 HydrophobicContact CD1-CD1 3.99Å; F177-I185 HydrophobicContact CD2-CG2 4.34Å; F177-I185 HydrophobicContact CE2-CG2 4.46Å; F179-I185 HydrophobicContact CD2-CD1 3.53Å; F179-I185 HydrophobicContact CD2-CG1 4.11Å; F179-I185 HydrophobicContact CE2-CD1 3.6Å; F179-I185 HydrophobicContact CE2-CG1 4.01Å; F179-I185 HydrophobicContact CE2-CG2 4.32Å; T182-I185 WeakPolarHBondContact O-CB 3.44Å; T182-I185 PolarHBondContact O-N 3.25Å; T182-I185 VanDerWaalsContact O-N 3.1Å; I185-P256 HydrophobicContact CB-CG 3.93Å; I185-P256 HydrophobicContact CG2-CB 4.19Å; I185-P256 HydrophobicContact CG2-CG 4Å; I185-P256 VanDerWaalsContact O-CD 3.26Å; I185-P256 WeakPolarHBondContact O-CD 3.33Å; I185-Y278 CarbonylContact C-O 3.56Å; I185-Y278 VanDerWaalsContact CA-O 3.26Å; I185-Y278 WeakPolarHBondContact CA-O 3.5Å; I185-Y278 WeakPolarHBondContact CG2-O 3.24Å; I185-A279 HydrophobicContact CG1-CB 4.06Å
186	V	98.9	Very high	98.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.5	179	65.8	0	0	0	0	110.8	V139 F142 T143 F253 Y278	V139-V186 HydrophobicContact CG1-CG1 4.01Å; F142-V186 HydrophobicContact CB-CB 3.92Å; F142-V186 HydrophobicContact CB-CG1 3.96Å; F142-V186 HydrophobicContact CB-CG2 4.35Å; F142-V186 HydrophobicContact CD2-CB 4.1Å; F142-V186 HydrophobicContact CD2-CG1 3.95Å; F142-V186 HydrophobicContact CD2-CG2 3.73Å; F142-V186 HydrophobicContact CE2-CG2 4.13Å; F142-V186 HydrophobicContact CG-CB 4.1Å; F142-V186 HydrophobicContact CG-CG1 4.26Å; F142-V186 HydrophobicContact CG-CG2 3.97Å; T143-V186 HydrophobicContact CG2-CG1 4.06Å; V186-F253 HydrophobicContact CG2-CB 4.04Å; V186-F253 HydrophobicContact CG2-CD1 4.21Å; V186-Y278 PolarHBondContact N-O 2.71Å; V186-Y278 PolarHBondContact O-N 2.86Å
187	C	98.9	Very high	98.3	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.7	166.4	-175.2	0	0	0	0	109.4	F253 F254 H277	C187-F253 CarbonylContact O-C 3.59Å; C187-F253 WeakPolarHBondContact O-CA 3.38Å; C187-F254 HydrophobicContact CB-CD1 3.86Å; C187-F254 HydrophobicContact CB-CD2 4.05Å; C187-F254 HydrophobicContact CB-CE1 3.54Å; C187-F254 HydrophobicContact CB-CE2 3.74Å; C187-F254 HydrophobicContact CB-CG 4.11Å; C187-F254 HydrophobicContact CB-CZ 3.48Å; C187-F254 VanDerWaalsContact CB-CZ 3.48Å; C187-F254 PolarHBondContact N-O 3.27Å; C187-F254 PolarHBondContact O-N 2.89Å; C187-F254 WeakPolarHBondContact SG-CE1 3.26Å; C187-F254 WeakPolarHBondContact SG-CZ 3.35Å; C187-H277 VanDerWaalsContact CB-CD2 3.5Å; C187-H277 WeakPolarHBondContact CB-CD2 3.33Å; C187-H277 WeakPolarHBondContact CB-NE2 3.35Å; C187-H277 PolarHBondContact SG-NE2 3.4Å
188	A	98.9	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.1	161.1	0	0	0	0	0	108.8	Y129 I135 T251 F253 S275 C276 Y278	Y129-A188 PolarHBondContact OH-O 2.94Å; I135-A188 HydrophobicContact CG2-CB 4.23Å; A188-T251 HydrophobicContact CB-CG2 4.18Å; A188-F253 HydrophobicContact CB-CD1 3.84Å; A188-F253 HydrophobicContact CB-CE1 3.54Å; A188-F253 HydrophobicContact CB-CZ 4.34Å; A188-S275 CarbonylContact O-C 3.48Å; A188-S275 WeakPolarHBondContact O-CA 3.4Å; A188-S275 WeakPolarHBondContact O-CB 3.25Å; A188-C276 PolarHBondContact N-O 2.95Å; A188-C276 PolarHBondContact O-N 3.12Å; A188-Y278 HydrophobicContact CB-CD2 4.41Å; A188-Y278 HydrophobicContact CB-CE2 3.82Å
189	W	98.9	Very high	98	Very high	7 Å²	7	31 Å²	31	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.5	-179.3	-171.5	103.3	0	0	0	109.8	A191 V195 L202 M246 T251 V252 F254 A273	W189-A191 HydrophobicContact CZ3-CB 4.07Å; W189-V195 HydrophobicContact CH2-CG1 4.2Å; W189-V195 HydrophobicContact CH2-CG2 4.07Å; W189-V195 HydrophobicContact CZ3-CG2 4.45Å; W189-L202 HydrophobicContact CD2-CD1 3.96Å; W189-L202 HydrophobicContact CE3-CD1 4.31Å; W189-L202 HydrophobicContact CG-CD1 4.08Å; W189-L202 HydrophobicContact CZ2-CG 4.49Å; W189-M246 HydrophobicContact CE3-CE 3.91Å; W189-M246 HydrophobicContact CE3-SD 3.79Å; W189-M246 HydrophobicContact CZ3-CE 3.96Å; W189-M246 HydrophobicContact CZ3-SD 3.56Å; W189-M246 VanDerWaalsContact CZ3-SD 3.56Å; W189-T251 CarbonylContact O-C 3.6Å; W189-T251 VanDerWaalsContact O-CA 3.31Å; W189-T251 WeakPolarHBondContact O-CA 3.29Å; W189-V252 HydrophobicContact CB-CG1 3.9Å; W189-V252 HydrophobicContact CE3-CG1 4.16Å; W189-V252 PolarHBondContact N-O 3.39Å; W189-V252 PolarHBondContact O-N 3.25Å; W189-F254 HydrophobicContact CB-CE1 4.11Å; W189-A273 HydrophobicContact CD2-CB 4.01Å; W189-A273 HydrophobicContact CE3-CB 4.32Å; W189-A273 HydrophobicContact CH2-CB 3.4Å; W189-A273 VanDerWaalsContact CH2-CB 3.4Å; W189-A273 HydrophobicContact CZ2-CB 3Å; W189-A273 HydrophobicContact CZ3-CB 4.04Å
190	T	98.9	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130	-173.5	-60	0	0	0	0	111.2	V69 I74 Y129 M192 D250 T251 A273 I274	V69-T190 HydrophobicContact CB-CG2 3.96Å; V69-T190 HydrophobicContact CG2-CG2 3.8Å; I74-T190 HydrophobicContact CD1-CG2 3.75Å; Y129-T190 WeakPolarHBondContact CE2-OG1 3.37Å; Y129-T190 PolarHBondContact OH-OG1 2.83Å; T190-M192 PolarHBondContact O-N 2.96Å; T190-D250 WeakPolarHBondContact CA-O 3.22Å; T190-D250 WeakPolarHBondContact CG2-O 3.16Å; T190-T251 WeakPolarHBondContact OG1-CG2 3.48Å; T190-T251 PolarHBondContact OG1-OG1 2.89Å; T190-A273 WeakPolarHBondContact O-CA 3.18Å; T190-A273 WeakPolarHBondContact O-CB 3.4Å; T190-I274 PolarHBondContact N-O 3.01Å; T190-I274 PolarHBondContact O-N 2.97Å
191	A	98.8	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	123	175.8	0	0	0	0	0	110.7	W189 E193 V195 M246 E247 G249 D250	W189-A191 HydrophobicContact CZ3-CB 4.07Å; A191-E193 VanDerWaalsContact C-N 3.32Å; A191-V195 HydrophobicContact CB-CG2 3.75Å; A191-M246 HydrophobicContact CB-CB 3.86Å; A191-M246 HydrophobicContact CB-CE 3.98Å; A191-E247 VanDerWaalsContact CB-O 3.25Å; A191-E247 WeakPolarHBondContact CB-O 3.46Å; A191-G249 PolarHBondContact O-N 2.88Å; A191-D250 PolarHBondContact N-O 3.49Å
192	M	98.8	Very high	97.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	12%	0.119	C	C	.	.	S	Bend	trans	-93.8	6	179.2	-63.6	173.7	75.3	0	0	113.1	I74 F77 R78 L154 T190 K272 A273 I274	I74-M192 HydrophobicContact CD1-CG 4.32Å; I74-M192 HydrophobicContact CG2-CB 3.81Å; I74-M192 HydrophobicContact CG2-CG 4.21Å; I74-M192 WeakPolarHBondContact CG2-O 3.5Å; F77-M192 HydrophobicContact CB-CE 3.67Å; R78-M192 HydrophobicContact CB-CE 4.25Å; R78-M192 HydrophobicContact CG-CB 4.4Å; R78-M192 HydrophobicContact CG-CE 3.44Å; R78-M192 VanDerWaalsContact CG-CE 3.44Å; R78-M192 PolarHBondContact NH1-O 2.71Å; L154-M192 HydrophobicContact CD1-CE 4.13Å; L154-M192 HydrophobicContact CD1-SD 4.23Å; L154-M192 HydrophobicContact CG-SD 4.12Å; T190-M192 PolarHBondContact O-N 2.96Å; M192-K272 HydrophobicContact CB-CB 3.93Å; M192-K272 PolarHBondContact N-O 2.94Å; M192-K272 HydrophobicContact SD-CB 4.17Å; M192-A273 VanDerWaalsContact SD-C 3.54Å; M192-I274 HydrophobicContact CG-CB 4.34Å; M192-I274 HydrophobicContact CG-CG2 4.02Å; M192-I274 HydrophobicContact SD-CB 3.74Å; M192-I274 HydrophobicContact SD-CG2 4.05Å
193	E	98.1	Very high	97.7	Very high	44 Å²	44	26.9 Å²	26.9	21%	0.206	12%	0.116	C	C	.	.	S	Bend	trans	-168.9	177.8	179.5	56.6	-169	77.4	0	0	107.7	R78 A191 V195 K272	R78-E193 IonicContact CZ-OE1 2.73Å; R78-E193 IonicContact NH1-OE1 3.26Å; R78-E193 PolarHBondContact NH1-OE1 3.33Å; R78-E193 IonicContact NH2-OE1 2.69Å; A191-E193 VanDerWaalsContact C-N 3.32Å; E193-V195 WeakPolarHBondContact O-CG2 3.49Å; E193-V195 PolarHBondContact O-N 2.88Å; E193-K272 PolarHBondContact OE1-N 3.05Å; E193-K272 VanDerWaalsContact OE1-N 3.14Å
194	R	98.2	Very high	97.7	Very high	134 Å²	134	26 Å²	26	51%	0.506	11%	0.111	S	C	.	.			trans	-62.9	125.9	171.9	-174.9	-177.8	-179.9	85.3	12.5	110.4	T196 N199 E247	R194-T196 HydrophobicContact CG-CG2 4.01Å; R194-N199 PolarHBondContact O-ND2 3.02Å; R194-E247 IonicContact CZ-OE1 2.71Å; R194-E247 IonicContact CZ-OE2 3.65Å; R194-E247 IonicContact NH1-OE1 3.66Å; R194-E247 PolarHBondContact NH1-OE1 2.98Å; R194-E247 IonicContact NH1-OE2 3.67Å; R194-E247 PolarHBondContact NH1-OE2 2.86Å; R194-E247 IonicContact NH2-OE1 3.92Å
195	V	98.1	Very high	97.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-114.6	120	179.4	-177.6	0	0	0	0	109.3	W189 A191 E193 N199 C201 E245 M246 R271	W189-V195 HydrophobicContact CH2-CG1 4.2Å; W189-V195 HydrophobicContact CH2-CG2 4.07Å; W189-V195 HydrophobicContact CZ3-CG2 4.45Å; A191-V195 HydrophobicContact CB-CG2 3.75Å; E193-V195 WeakPolarHBondContact O-CG2 3.49Å; E193-V195 PolarHBondContact O-N 2.88Å; V195-N199 WeakPolarHBondContact CA-OD1 3.47Å; V195-C201 VanDerWaalsContact CG1-CA 3.48Å; V195-C201 HydrophobicContact CG1-CB 3.61Å; V195-E245 CarbonylContact O-C 3.46Å; V195-E245 WeakPolarHBondContact O-CA 3.47Å; V195-M246 HydrophobicContact CB-CB 4.32Å; V195-M246 PolarHBondContact N-O 2.84Å; V195-M246 PolarHBondContact O-N 3.31Å; V195-R271 HydrophobicContact CG1-CG 4.5Å; V195-R271 HydrophobicContact CG2-CG 4.13Å
196	T	97.4	Very high	97.7	Very high	21 Å²	21	24.7 Å²	24.7	13%	0.129	11%	0.109	C	C	.	.			trans	-124.4	171.5	-177.3	69	0	0	0	0	110.8	R194 Q198 N199 G200 C201 E245	R194-T196 HydrophobicContact CG-CG2 4.01Å; T196-Q198 PolarHBondContact O-N 3.39Å; T196-Q198 PolarHBondContact OG1-N 2.93Å; T196-Q198 PolarHBondContact OG1-OE1 3.4Å; T196-N199 PolarHBondContact N-OD1 3.37Å; T196-N199 PolarHBondContact O-N 3.44Å; T196-N199 PolarHBondContact O-OD1 2.76Å; T196-N199 VanDerWaalsContact O-OD1 3.06Å; T196-N199 PolarHBondContact OG1-N 2.87Å; T196-G200 PolarHBondContact O-N 2.96Å; T196-C201 WeakPolarHBondContact O-CB 3.38Å; T196-C201 PolarHBondContact O-N 2.99Å; T196-E245 VanDerWaalsContact CA-OE1 3.25Å; T196-E245 WeakPolarHBondContact CA-OE1 3.36Å; T196-E245 WeakPolarHBondContact CB-OE1 3.4Å
197	R	95.7	Very high	97.7	Very high	138 Å²	138	25.5 Å²	25.5	52%	0.521	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-37	170.4	-172.5	171.4	178	-166.2	-0.7	112	G200 Y243 E245	R197-G200 PolarHBondContact O-N 2.62Å; R197-Y243 HydrophobicContact CB-CD1 4.46Å; R197-Y243 HydrophobicContact CG-CD1 3.77Å; R197-Y243 HydrophobicContact CG-CE1 3.93Å; R197-Y243 HydrophobicContact CG-CG 4.39Å; R197-Y243 PolarHBondContact NH2-OH 2.91Å; R197-E245 PolarHBondContact N-OE1 3.29Å
198	Q	94.9	Very high	97.6	Very high	101 Å²	101	26.5 Å²	26.5	47%	0.472	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-37	-178.5	-69.4	73.9	14.7	0	0	112.6	T196 Q266 T267	T196-Q198 PolarHBondContact O-N 3.39Å; T196-Q198 PolarHBondContact OG1-N 2.93Å; T196-Q198 PolarHBondContact OG1-OE1 3.4Å; Q198-Q266 WeakPolarHBondContact O-CB 3.39Å; Q198-Q266 PolarHBondContact O-N 3.23Å; Q198-T267 HydrophobicContact CB-CG2 4.3Å
199	N	94.9	Very high	97.6	Very high	14 Å²	14	26.5 Å²	26.5	8%	0.075	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	11.6	178.7	75.1	9	0	0	0	114.3	R194 V195 T196 N265 T267 R271	R194-N199 PolarHBondContact O-ND2 3.02Å; V195-N199 WeakPolarHBondContact CA-OD1 3.47Å; T196-N199 PolarHBondContact N-OD1 3.37Å; T196-N199 PolarHBondContact O-N 3.44Å; T196-N199 PolarHBondContact O-OD1 2.76Å; T196-N199 VanDerWaalsContact O-OD1 3.06Å; T196-N199 PolarHBondContact OG1-N 2.87Å; N199-N265 WeakPolarHBondContact CA-OD1 3.12Å; N199-T267 HydrophobicContact CB-CG2 3.75Å; N199-R271 HydrophobicContact CB-CB 4.37Å; N199-R271 HydrophobicContact CB-CG 4.45Å
200	G	94.7	Very high	97.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	56.9	171.8	0	0	0	0	0	113.9	T196 R197 M264 R271	T196-G200 PolarHBondContact O-N 2.96Å; R197-G200 PolarHBondContact O-N 2.62Å; G200-M264 WeakPolarHBondContact CA-O 3.41Å; G200-M264 PolarHBondContact N-O 2.91Å; G200-R271 PolarHBondContact O-NE 3.03Å; G200-R271 PolarHBondContact O-NH2 3.24Å
201	C	96.8	Very high	97.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	16%	0.162	C	C	.	.			trans	-56.9	166.1	165.2	71.1	0	0	0	0	113.3	V195 T196 V244 S262	V195-C201 VanDerWaalsContact CG1-CA 3.48Å; V195-C201 HydrophobicContact CG1-CB 3.61Å; T196-C201 WeakPolarHBondContact O-CB 3.38Å; T196-C201 PolarHBondContact O-N 2.99Å; C201-V244 WeakPolarHBondContact CB-O 3.19Å; C201-S262 WeakPolarHBondContact O-CA 3.45Å
202	L	97.8	Very high	97.3	Very high	14 Å²	14	37.2 Å²	37.2	7%	0.073	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	142.1	170.5	-70	177	0	0	0	110.3	W189 V244 V252 F254 G261	W189-L202 HydrophobicContact CD2-CD1 3.96Å; W189-L202 HydrophobicContact CE3-CD1 4.31Å; W189-L202 HydrophobicContact CG-CD1 4.08Å; W189-L202 HydrophobicContact CZ2-CG 4.49Å; L202-V244 HydrophobicContact CB-CB 4.33Å; L202-V244 HydrophobicContact CB-CG2 4.48Å; L202-V244 PolarHBondContact O-N 3.24Å; L202-V252 HydrophobicContact CD1-CG1 3.94Å; L202-F254 HydrophobicContact CD1-CE1 4.28Å; L202-G261 CarbonylContact C-O 3.51Å; L202-G261 WeakPolarHBondContact CA-O 3.29Å
203	V	97.5	Very high	97.3	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.055	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.4	169.9	-175.3	0	0	0	0	107.1	R241 L242 Y243 H260 G261	V203-R241 HydrophobicContact CG1-CB 3.87Å; V203-R241 HydrophobicContact CG1-CG 4.36Å; V203-L242 WeakPolarHBondContact CA-O 3.47Å; V203-Y243 HydrophobicContact CG2-CD1 3.6Å; V203-Y243 HydrophobicContact CG2-CE1 3.59Å; V203-H260 CarbonylContact O-C 3.56Å; V203-H260 WeakPolarHBondContact O-CA 3.3Å; V203-H260 WeakPolarHBondContact O-CB 3.3Å; V203-G261 PolarHBondContact N-O 3.49Å; V203-G261 PolarHBondContact O-N 2.93Å
204	V	98.3	Very high	97.2	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152.3	179.4	-59.5	0	0	0	0	110.7	F62 P206 L242 V244 L258 H260	F62-V204 HydrophobicContact CD1-CG2 4Å; F62-V204 HydrophobicContact CE1-CG2 3.78Å; F62-V204 HydrophobicContact CZ-CG2 4.1Å; V204-P206 HydrophobicContact CG2-CG 4.43Å; V204-P206 WeakPolarHBondContact O-CD 3.3Å; V204-L242 HydrophobicContact CG2-CB 3.91Å; V204-L242 HydrophobicContact CG2-CD2 4.1Å; V204-L242 PolarHBondContact N-O 3.49Å; V204-L242 PolarHBondContact O-N 3.07Å; V204-V244 HydrophobicContact CG1-CG2 4.09Å; V204-V244 HydrophobicContact CG2-CG2 4.09Å; V204-L258 HydrophobicContact CB-CD2 3.99Å; V204-L258 HydrophobicContact CB-CG 4.47Å; V204-L258 HydrophobicContact CG1-CD2 3.81Å; V204-H260 HydrophobicContact CG1-CB 3.92Å
205	L	98.3	Very high	97.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.202	C	C	.	.			trans	-106.9	96.5	167.8	-83.7	56.7	0	0	0	107.6	M170 T208 Y235 H239 R241 L258 I259	M170-L205 HydrophobicContact CE-CD1 3.37Å; L205-T208 HydrophobicContact CB-CG2 3.54Å; L205-T208 HydrophobicContact CD2-CG2 4.34Å; L205-T208 WeakPolarHBondContact O-CB 3.21Å; L205-T208 WeakPolarHBondContact O-CG2 3.27Å; L205-T208 PolarHBondContact O-N 3.32Å; L205-T208 PolarHBondContact O-OG1 3.05Å; L205-Y235 HydrophobicContact CD2-CD2 3.53Å; L205-Y235 HydrophobicContact CD2-CE2 4.01Å; L205-Y235 HydrophobicContact CD2-CG 4.42Å; L205-H239 HydrophobicContact CD2-CB 3.77Å; L205-H239 HydrophobicContact CG-CB 4.06Å; L205-R241 HydrophobicContact CD1-CG 3.94Å; L205-L258 VanDerWaalsContact O-CD1 3.3Å; L205-L258 WeakPolarHBondContact O-CD1 3.43Å; L205-I259 HydrophobicContact CB-CB 4.35Å; L205-I259 HydrophobicContact CD2-CB 4.39Å; L205-I259 HydrophobicContact CD2-CG2 4.08Å; L205-I259 PolarHBondContact N-O 3.19Å
206	P	98.6	Very high	97	Very high	26 Å²	26	38.4 Å²	38.4	17%	0.169	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.3	-174.3	-24.7	34.4	0	0	0	112.3	N60 F62 V204 T208 H239 P240 L242	N60-P206 HydrophobicContact CB-CB 4.14Å; N60-P206 WeakPolarHBondContact O-CA 3.37Å; N60-P206 WeakPolarHBondContact OD1-CB 3.11Å; F62-P206 HydrophobicContact CE1-CB 4.27Å; F62-P206 HydrophobicContact CE1-CG 4.1Å; V204-P206 HydrophobicContact CG2-CG 4.43Å; V204-P206 WeakPolarHBondContact O-CD 3.3Å; P206-T208 VanDerWaalsContact C-N 3.25Å; P206-T208 PolarHBondContact O-N 3.18Å; P206-H239 PolarHBondContact O-CE1 3.39Å; P206-H239 PolarHBondContact O-NE2 3.09Å; P206-P240 WeakPolarHBondContact CD-O 3.44Å; P206-L242 HydrophobicContact CG-CB 4.17Å
207	G	98.4	Very high	96.7	Very high	18 Å²	18	40.8 Å²	40.8	19%	0.186	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-15.4	176.6	0	0	0	0	0	115.4	E59 N60 H209 K210	E59-G207 VanDerWaalsContact O-CA 3.25Å; E59-G207 WeakPolarHBondContact O-CA 3.34Å; N60-G207 PolarHBondContact O-N 3.08Å; G207-H209 PolarHBondContact O-N 3.36Å; G207-H209 VanDerWaalsContact O-N 3.09Å; G207-K210 WeakPolarHBondContact O-CB 3.37Å; G207-K210 PolarHBondContact O-N 3.18Å
208	T	98.6	Very high	96.4	Very high	22 Å²	22	37.9 Å²	37.9	14%	0.135	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.8	-22.1	178.8	54.7	0	0	0	0	114.1	L205 P206 K210 G211 I259	L205-T208 HydrophobicContact CB-CG2 3.54Å; L205-T208 HydrophobicContact CD2-CG2 4.34Å; L205-T208 WeakPolarHBondContact O-CB 3.21Å; L205-T208 WeakPolarHBondContact O-CG2 3.27Å; L205-T208 PolarHBondContact O-N 3.32Å; L205-T208 PolarHBondContact O-OG1 3.05Å; P206-T208 VanDerWaalsContact C-N 3.25Å; P206-T208 PolarHBondContact O-N 3.18Å; T208-K210 PolarHBondContact O-N 3.38Å; T208-K210 VanDerWaalsContact O-N 3.14Å; T208-G211 PolarHBondContact O-N 3.1Å; T208-I259 HydrophobicContact CG2-CB 4.35Å; T208-I259 HydrophobicContact CG2-CD1 4.05Å; T208-I259 HydrophobicContact CG2-CG1 4.33Å; T208-I259 PolarHBondContact OG1-N 2.84Å
209	H	98.6	Very high	95.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.7	-19.8	173.8	76.8	-71.8	0	0	0	114.6	Y42 E58 G61 G207 G211 H255 L257 L258	Y42-H209 AromaticContact CD2-CD2 3.94Å; Y42-H209 AromaticContact CD2-NE2 3.51Å; Y42-H209 AromaticContact CE1-CD2 3.94Å; Y42-H209 AromaticContact CE2-CD2 3.63Å; Y42-H209 AromaticContact CE2-NE2 3.26Å; Y42-H209 VanDerWaalsContact CE2-NE2 3.26Å; Y42-H209 WeakPolarHBondContact CE2-NE2 3.41Å; Y42-H209 AromaticContact CZ-CD2 3.62Å; Y42-H209 AromaticContact CZ-NE2 3.75Å; E58-H209 PolarHBondContact O-CE1 3.07Å; E58-H209 PolarHBondContact O-NE2 3.43Å; G61-H209 WeakPolarHBondContact CA-CE1 3.48Å; G61-H209 VanDerWaalsContact CA-CG 3.42Å; G61-H209 WeakPolarHBondContact CA-ND1 3.45Å; G61-H209 PolarHBondContact N-CE1 2.91Å; G61-H209 PolarHBondContact N-ND1 3.13Å; G207-H209 PolarHBondContact O-N 3.36Å; G207-H209 VanDerWaalsContact O-N 3.09Å; H209-G211 VanDerWaalsContact C-N 3.28Å; H209-H255 HydrophobicContact CB-CB 3.87Å; H209-L257 HydrophobicContact CB-CB 4.46Å; H209-L258 HydrophobicContact CB-CB 4.22Å; H209-L258 HydrophobicContact CB-CD1 4.39Å
210	K	98.2	Very high	95.4	Very high	88 Å²	88	41.8 Å²	41.8	38%	0.383	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-76.2	-15.6	175.5	-60.3	173.6	-179.1	173.4	0	113	Y42 E58 E59 G207 T208	Y42-K210 HydrophobicContact CE2-CG 4.32Å; E58-K210 WeakPolarHBondContact O-CE 3.25Å; E59-K210 WeakPolarHBondContact O-CE 3.48Å; E59-K210 PolarHBondContact O-NZ 3.46Å; E59-K210 IonicContact OE1-NZ 3.32Å; E59-K210 PolarHBondContact OE1-NZ 3.21Å; E59-K210 IonicContact OE2-NZ 3.98Å; E59-K210 PolarHBondContact OE2-NZ 3.24Å; G207-K210 WeakPolarHBondContact O-CB 3.37Å; G207-K210 PolarHBondContact O-N 3.18Å; T208-K210 PolarHBondContact O-N 3.38Å; T208-K210 VanDerWaalsContact O-N 3.14Å
211	G	96.4	Very high	94.8	Very high	43 Å²	43	44.8 Å²	44.8	44%	0.443	24%	0.241	S	C	.	.	S	Bend	trans	-79.4	-165.6	177.8	0	0	0	0	0	113.3	T208 H209 L257	T208-G211 PolarHBondContact O-N 3.1Å; H209-G211 VanDerWaalsContact C-N 3.28Å; G211-L257 WeakPolarHBondContact O-CD1 3.47Å
212	T	96.2	Very high	93.6	Very high	101 Å²	101	53.8 Å²	53.8	62%	0.62	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-94.5	168	176.3	60.2	0	0	0	0	111.5	Q172 K214	Q172-T212 PolarHBondContact NE2-O 3.09Å; Q172-T212 VanDerWaalsContact NE2-O 3.16Å; T212-K214 PolarHBondContact O-N 3.33Å
213	L	97.6	Very high	92.1	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.157	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-63.3	126.2	162.6	-179.5	59.7	0	0	0	108.6	Q172 L174 H175 L257 Q293	Q172-L213 HydrophobicContact CB-CD1 4.21Å; L174-L213 HydrophobicContact CB-CD1 4.26Å; L174-L213 HydrophobicContact CD2-CB 4.4Å; L174-L213 HydrophobicContact CD2-CD2 4.43Å; H175-L213 HydrophobicContact CB-CD1 4.23Å; L213-L257 HydrophobicContact CB-CD2 3.92Å; L213-L257 HydrophobicContact CD1-CD2 4.27Å; L213-Q293 HydrophobicContact CD2-CG 3.59Å
214	K	96.6	Very high	90.9	Very high	61 Å²	61	57.8 Å²	57.8	27%	0.265	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-86.7	170.6	175.5	-63	-57.8	-155	151.3	0	111.2	T212 H216 V232 D234	T212-K214 PolarHBondContact O-N 3.33Å; K214-H216 PolarHBondContact O-CE1 3.49Å; K214-H216 PolarHBondContact O-ND1 3.08Å; K214-V232 HydrophobicContact CB-CG1 3.65Å; K214-V232 HydrophobicContact CB-CG2 4.19Å; K214-V232 HydrophobicContact CG-CG1 3.88Å; K214-D234 WeakPolarHBondContact CD-OD1 3.37Å; K214-D234 IonicContact NZ-OD1 2.91Å; K214-D234 IonicContact NZ-OD2 3.19Å; K214-D234 PolarHBondContact NZ-OD2 3.28Å
215	E	95.6	Very high	89.7	Confident	108 Å²	108	59.1 Å²	59.1	51%	0.505	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-76.2	140	167.6	-70.5	-178.9	-178.2	0	0	110.3	V232 R233 T292	E215-V232 WeakPolarHBondContact O-CA 3.4Å; E215-R233 HydrophobicContact CB-CG 4.36Å; E215-R233 PolarHBondContact O-N 3Å; E215-T292 HydrophobicContact CG-CG2 3.65Å
216	H	96	Very high	88.7	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.028	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.7	177.1	-57.5	65.8	0	0	0	110.5	Q172 H175 K214 H230 G231 V232 N295	Q172-H216 PolarHBondContact N-NE2 2.88Å; H175-H216 AromaticContact CG-CG 3.58Å; H175-H216 AromaticContact CG-ND1 3.53Å; H175-H216 AromaticContact ND1-CG 3.69Å; H175-H216 AromaticContact ND1-ND1 3.38Å; H175-H216 PolarHBondContact ND1-ND1 3.44Å; K214-H216 PolarHBondContact O-CE1 3.49Å; K214-H216 PolarHBondContact O-ND1 3.08Å; H216-H230 HydrophobicContact CB-CB 3.72Å; H216-G231 VanDerWaalsContact CA-O 3.23Å; H216-G231 WeakPolarHBondContact CA-O 2.94Å; H216-V232 VanDerWaalsContact NE2-CG2 3.26Å; H216-V232 WeakPolarHBondContact NE2-CG2 3.08Å; H216-N295 PolarHBondContact O-ND2 2.91Å; H216-N295 VanDerWaalsContact O-ND2 3.15Å
217	D	91.4	Very high	87.8	Confident	70 Å²	70	65.7 Å²	65.7	37%	0.374	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	167.2	175.1	-153	-19.3	0	0	0	109.5	P219 H230 G231 R233	D217-P219 VanDerWaalsContact O-CD 3.31Å; D217-P219 WeakPolarHBondContact O-CD 3.35Å; D217-H230 CarbonylContact O-C 3.52Å; D217-H230 VanDerWaalsContact O-CA 3.32Å; D217-H230 WeakPolarHBondContact O-CA 3.41Å; D217-G231 PolarHBondContact N-O 3.11Å; D217-G231 VanDerWaalsContact N-O 3.09Å; D217-G231 PolarHBondContact O-N 3.44Å; D217-R233 HydrophobicContact CB-CG 4.3Å; D217-R233 IonicContact OD2-CZ 3.68Å; D217-R233 IonicContact OD2-NH1 2.78Å; D217-R233 PolarHBondContact OD2-NH1 2.84Å
218	Y	88.6	Confident	87.2	Confident	77 Å²	77	66.5 Å²	66.5	30%	0.302	36%	0.363	S	S	.	.			trans	-63.6	124.6	169.2	-78.9	-80.7	0	0	0	109.5	D220 V225 M228 H230 E299	Y218-D220 PolarHBondContact O-N 2.92Å; Y218-V225 HydrophobicContact CD1-CB 4.1Å; Y218-V225 HydrophobicContact CD1-CG1 3.99Å; Y218-V225 HydrophobicContact CE1-CG1 4.5Å; Y218-M228 PolarHBondContact OH-N 3.01Å; Y218-H230 AromaticContact CD2-CD2 3.75Å; Y218-H230 AromaticContact CD2-NE2 3.58Å; Y218-H230 AromaticContact CE2-CD2 3.74Å; Y218-H230 AromaticContact CE2-CE1 3.68Å; Y218-H230 AromaticContact CE2-NE2 3.1Å; Y218-H230 WeakPolarHBondContact CE2-NE2 3.46Å; Y218-H230 AromaticContact CZ-CE1 3.76Å; Y218-H230 AromaticContact CZ-NE2 3.66Å; Y218-E299 VanDerWaalsContact OH-CD 3.27Å; Y218-E299 PolarHBondContact OH-OE1 3.48Å; Y218-E299 PolarHBondContact OH-OE2 3.13Å; Y218-E299 VanDerWaalsContact OH-OE2 3.05Å
219	P	85.1	Confident	86.6	Confident	26 Å²	26	66.3 Å²	66.3	17%	0.169	36%	0.36	C	S	.	.			trans	-59	139.8	173.1	-20.9	29.5	0	0	0	111.8	P169 D217 W221 V225 Y229	P169-P219 HydrophobicContact CB-CG 3.76Å; P169-P219 HydrophobicContact CG-CG 3.94Å; D217-P219 VanDerWaalsContact O-CD 3.31Å; D217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-W221 VanDerWaalsContact C-N 3.3Å; P219-W221 HydrophobicContact CB-CD2 3.66Å; P219-W221 HydrophobicContact CB-CE3 4.4Å; P219-W221 HydrophobicContact CB-CG 3.81Å; P219-W221 HydrophobicContact CB-CZ2 3.94Å; P219-W221 VanDerWaalsContact CB-NE1 3.33Å; P219-W221 HydrophobicContact CG-CD2 4.28Å; P219-W221 HydrophobicContact CG-CH2 4.32Å; P219-W221 HydrophobicContact CG-CZ2 3.98Å; P219-W221 PolarHBondContact O-N 3.15Å; P219-V225 HydrophobicContact CB-CG2 4.22Å; P219-V225 HydrophobicContact CG-CG2 4.42Å; P219-V225 WeakPolarHBondContact O-CG2 3.02Å; P219-Y229 VanDerWaalsContact CD-O 3.31Å; P219-Y229 WeakPolarHBondContact CD-O 3.19Å
220	D	83.8	Confident	86.2	Confident	171 Å²	171	66.5 Å²	66.5	91%	0.914	36%	0.361	S	S	*	.			trans	-78.5	81.7	171.7	-170.2	15.7	0	0	0	110	Y218	Y218-D220 PolarHBondContact O-N 2.92Å
221	W	81.8	Confident	85.9	Confident	63 Å²	63	62.7 Å²	62.7	24%	0.239	35%	0.346	C	S	.	.			trans	-112.3	132.5	-177	-69.8	-7.3	0	0	0	112.1	R167 P169 P219 G223 G224 V225	R167-W221 HydrophobicContact CG-CE3 4.19Å; R167-W221 HydrophobicContact CG-CH2 3.45Å; R167-W221 VanDerWaalsContact CG-CH2 3.45Å; R167-W221 HydrophobicContact CG-CZ2 4.4Å; R167-W221 HydrophobicContact CG-CZ3 3.32Å; R167-W221 VanDerWaalsContact CZ-CD2 3.42Å; R167-W221 VanDerWaalsContact CZ-CE2 3.47Å; R167-W221 VanDerWaalsContact NE-CH2 3.33Å; P169-W221 HydrophobicContact CB-CH2 3.61Å; P169-W221 HydrophobicContact CB-CZ2 3.92Å; P169-W221 HydrophobicContact CG-CH2 4.05Å; P219-W221 VanDerWaalsContact C-N 3.3Å; P219-W221 HydrophobicContact CB-CD2 3.66Å; P219-W221 HydrophobicContact CB-CE3 4.4Å; P219-W221 HydrophobicContact CB-CG 3.81Å; P219-W221 HydrophobicContact CB-CZ2 3.94Å; P219-W221 VanDerWaalsContact CB-NE1 3.33Å; P219-W221 HydrophobicContact CG-CD2 4.28Å; P219-W221 HydrophobicContact CG-CH2 4.32Å; P219-W221 HydrophobicContact CG-CZ2 3.98Å; P219-W221 PolarHBondContact O-N 3.15Å; W221-G223 PolarHBondContact O-N 2.71Å; W221-G224 PolarHBondContact O-N 3.41Å; W221-G224 VanDerWaalsContact O-N 3.09Å; W221-V225 HydrophobicContact CB-CG2 3.97Å; W221-V225 HydrophobicContact CD2-CG2 4.16Å; W221-V225 HydrophobicContact CE3-CG2 3.87Å; W221-V225 HydrophobicContact CG-CG2 4.24Å
222	E	71.9	Confident	85.8	Confident	192 Å²	192	61.2 Å²	61.2	90%	0.897	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	132	168.4	-66.7	-177.1	173.5	0	0	111	G224	E222-G224 VanDerWaalsContact C-N 3.35Å
223	G	66.9	Low	85.5	Confident	70 Å²	70	64 Å²	64	72%	0.722	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-2.2	-177.2	0	0	0	0	0	114.9	W221	W221-G223 PolarHBondContact O-N 2.71Å
224	G	71.3	Confident	84.9	Confident	37 Å²	37	66.7 Å²	66.7	38%	0.381	34%	0.342	S	S	.	.			trans	84.7	170.9	177.6	0	0	0	0	0	113.5	W221 E222	W221-G224 PolarHBondContact O-N 3.41Å; W221-G224 VanDerWaalsContact O-N 3.09Å; E222-G224 VanDerWaalsContact C-N 3.35Å
225	V	75	Confident	84.5	Confident	30 Å²	30	66.6 Å²	66.6	18%	0.182	34%	0.341	C	S	.	.			trans	-120.1	142	-179.7	-177.8	0	0	0	0	109.1	Y218 P219 W221 Y229	Y218-V225 HydrophobicContact CD1-CB 4.1Å; Y218-V225 HydrophobicContact CD1-CG1 3.99Å; Y218-V225 HydrophobicContact CE1-CG1 4.5Å; P219-V225 HydrophobicContact CB-CG2 4.22Å; P219-V225 HydrophobicContact CG-CG2 4.42Å; P219-V225 WeakPolarHBondContact O-CG2 3.02Å; W221-V225 HydrophobicContact CB-CG2 3.97Å; W221-V225 HydrophobicContact CD2-CG2 4.16Å; W221-V225 HydrophobicContact CE3-CG2 3.87Å; W221-V225 HydrophobicContact CG-CG2 4.24Å; V225-Y229 WeakPolarHBondContact CG1-O 3.25Å
226	N	76.3	Confident	84.2	Confident	9 Å²	9	65.7 Å²	65.7	5%	0.048	34%	0.339	C	S	.	.			trans	-58.6	142.4	173.3	-75.6	-53.6	0	0	0	110.4	D99 V100 T165 M228 Y229	D99-N226 WeakPolarHBondContact CA-OD1 3.43Å; D99-N226 PolarHBondContact OD1-ND2 3.44Å; D99-N226 PolarHBondContact OD1-OD1 3.43Å; D99-N226 VanDerWaalsContact OD1-OD1 3.07Å; D99-N226 PolarHBondContact OD2-ND2 2.81Å; V100-N226 PolarHBondContact N-OD1 3.48Å; T165-N226 PolarHBondContact O-ND2 3.17Å; N226-M228 PolarHBondContact O-N 3.36Å; N226-Y229 HydrophobicContact CB-CD1 3.77Å; N226-Y229 HydrophobicContact CB-CD2 3.87Å; N226-Y229 HydrophobicContact CB-CE1 3.95Å; N226-Y229 HydrophobicContact CB-CE2 4.05Å; N226-Y229 HydrophobicContact CB-CG 3.76Å; N226-Y229 VanDerWaalsContact O-CB 3.3Å; N226-Y229 WeakPolarHBondContact O-CB 3.37Å; N226-Y229 PolarHBondContact O-N 3.45Å
227	K	80.5	Confident	83.8	Confident	156 Å²	156	69.3 Å²	69.3	68%	0.678	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	142	174.6	-67.3	-176.4	177.3	-177.8	0	110.3	Y229	K227-Y229 VanDerWaalsContact C-N 3.3Å; K227-Y229 WeakPolarHBondContact O-CD1 3.41Å; K227-Y229 PolarHBondContact O-N 2.85Å
228	M	84	Confident	83.8	Confident	35 Å²	35	72.5 Å²	72.5	17%	0.172	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	27.3	-176.1	-58.4	-68.9	177	0	0	114.6	Y176 Y218 N226 I296 E299 V300 I303	Y176-M228 HydrophobicContact CE1-CB 4.35Å; Y176-M228 HydrophobicContact CE1-SD 4.13Å; Y176-M228 PolarHBondContact OH-O 2.77Å; Y218-M228 PolarHBondContact OH-N 3.01Å; N226-M228 PolarHBondContact O-N 3.36Å; M228-I296 HydrophobicContact CE-CD1 4Å; M228-I296 HydrophobicContact SD-CD1 3.4Å; M228-I296 WeakPolarHBondContact SD-CD1 3.27Å; M228-E299 HydrophobicContact CE-CB 4.12Å; M228-E299 HydrophobicContact CE-CG 3.55Å; M228-E299 WeakPolarHBondContact CE-OE1 3.17Å; M228-E299 HydrophobicContact SD-CG 4.48Å; M228-V300 HydrophobicContact CE-CG2 3.97Å; M228-I303 HydrophobicContact CE-CD1 3.28Å
229	Y	86.1	Confident	84.1	Confident	19 Å²	19	71.4 Å²	71.4	8%	0.075	38%	0.378	C	S	.	.			trans	-111.5	65.6	174.5	-77.5	37.6	0	0	0	109.3	K116 H168 P169 P219 V225 N226 K227	K116-Y229 PolarHBondContact NZ-OH 2.91Å; H168-Y229 HydrophobicContact CB-CD2 4.43Å; H168-Y229 HydrophobicContact CB-CE2 4.19Å; H168-Y229 AromaticContact CD2-CD2 3.89Å; H168-Y229 AromaticContact CG-CE2 3.92Å; P169-Y229 VanDerWaalsContact CG-O 3.32Å; P169-Y229 WeakPolarHBondContact CG-O 3.44Å; P219-Y229 VanDerWaalsContact CD-O 3.31Å; P219-Y229 WeakPolarHBondContact CD-O 3.19Å; V225-Y229 WeakPolarHBondContact CG1-O 3.25Å; N226-Y229 HydrophobicContact CB-CD1 3.77Å; N226-Y229 HydrophobicContact CB-CD2 3.87Å; N226-Y229 HydrophobicContact CB-CE1 3.95Å; N226-Y229 HydrophobicContact CB-CE2 4.05Å; N226-Y229 HydrophobicContact CB-CG 3.76Å; N226-Y229 VanDerWaalsContact O-CB 3.3Å; N226-Y229 WeakPolarHBondContact O-CB 3.37Å; N226-Y229 PolarHBondContact O-N 3.45Å; K227-Y229 VanDerWaalsContact C-N 3.3Å; K227-Y229 WeakPolarHBondContact O-CD1 3.41Å; K227-Y229 PolarHBondContact O-N 2.85Å
230	H	90.8	Very high	84.6	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.019	40%	0.401	C	S	.	.			trans	-76.5	137.1	173.2	-54.9	86.6	0	0	0	111.1	H171 Y176 H216 D217 Y218 E299	H171-H230 VanDerWaalsContact CB-O 3.22Å; H171-H230 WeakPolarHBondContact CB-O 3.4Å; Y176-H230 AromaticContact CE1-ND1 3.79Å; Y176-H230 AromaticContact CZ-ND1 3.71Å; Y176-H230 PolarHBondContact OH-N 3.39Å; Y176-H230 VanDerWaalsContact OH-N 3.11Å; Y176-H230 PolarHBondContact OH-ND1 2.93Å; H216-H230 HydrophobicContact CB-CB 3.72Å; D217-H230 CarbonylContact O-C 3.52Å; D217-H230 VanDerWaalsContact O-CA 3.32Å; D217-H230 WeakPolarHBondContact O-CA 3.41Å; Y218-H230 AromaticContact CD2-CD2 3.75Å; Y218-H230 AromaticContact CD2-NE2 3.58Å; Y218-H230 AromaticContact CE2-CD2 3.74Å; Y218-H230 AromaticContact CE2-CE1 3.68Å; Y218-H230 AromaticContact CE2-NE2 3.1Å; Y218-H230 WeakPolarHBondContact CE2-NE2 3.46Å; Y218-H230 AromaticContact CZ-CE1 3.76Å; Y218-H230 AromaticContact CZ-NE2 3.66Å; H230-E299 IonicContact CE1-OE2 2.56Å; H230-E299 PolarHBondContact CE1-OE2 2.95Å; H230-E299 IonicContact NE2-OE2 3.13Å; H230-E299 PolarHBondContact NE2-OE2 3.3Å
231	G	92.9	Very high	85.1	Confident	8 Å²	8	71.8 Å²	71.8	8%	0.082	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	151.4	175.7	0	0	0	0	0	112.4	M170 H216 D217 R233	M170-G231 CarbonylContact O-C 3.48Å; M170-G231 VanDerWaalsContact O-CA 3.27Å; M170-G231 WeakPolarHBondContact O-CA 3.46Å; H216-G231 VanDerWaalsContact CA-O 3.23Å; H216-G231 WeakPolarHBondContact CA-O 2.94Å; D217-G231 PolarHBondContact N-O 3.11Å; D217-G231 VanDerWaalsContact N-O 3.09Å; D217-G231 PolarHBondContact O-N 3.44Å; G231-R233 PolarHBondContact O-N 3.32Å
232	V	94.4	Very high	85.9	Confident	12 Å²	12	72.1 Å²	72.1	7%	0.073	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.3	171.7	171.8	0	0	0	0	109.7	M170 Q172 K214 E215 H216 Y235	M170-V232 PolarHBondContact O-N 2.96Å; Q172-V232 HydrophobicContact CG-CG2 4.27Å; K214-V232 HydrophobicContact CB-CG1 3.65Å; K214-V232 HydrophobicContact CB-CG2 4.19Å; K214-V232 HydrophobicContact CG-CG1 3.88Å; E215-V232 WeakPolarHBondContact O-CA 3.4Å; H216-V232 VanDerWaalsContact NE2-CG2 3.26Å; H216-V232 WeakPolarHBondContact NE2-CG2 3.08Å; V232-Y235 HydrophobicContact CB-CD1 4.06Å; V232-Y235 HydrophobicContact CG1-CD1 4.07Å; V232-Y235 HydrophobicContact CG1-CG 4.5Å
233	R	88.7	Confident	87.1	Confident	160 Å²	160	67.2 Å²	67.2	60%	0.604	36%	0.356	S	S	*	.	S	Bend	trans	-73.5	-34.8	-179.5	-64.2	180	77.3	124.2	3.4	113.7	E215 D217 G231	E215-R233 HydrophobicContact CB-CG 4.36Å; E215-R233 PolarHBondContact O-N 3Å; D217-R233 HydrophobicContact CB-CG 4.3Å; D217-R233 IonicContact OD2-CZ 3.68Å; D217-R233 IonicContact OD2-NH1 2.78Å; D217-R233 PolarHBondContact OD2-NH1 2.84Å; G231-R233 PolarHBondContact O-N 3.32Å
234	D	85.7	Confident	88.6	Confident	86 Å²	86	64.1 Å²	64.1	46%	0.46	32%	0.323	S	S	.	.	S	Bend	trans	-135.7	45.1	-160.6	73.2	-36.8	0	0	0	114.4	K214	K214-D234 WeakPolarHBondContact CD-OD1 3.37Å; K214-D234 IonicContact NZ-OD1 2.91Å; K214-D234 IonicContact NZ-OD2 3.19Å; K214-D234 PolarHBondContact NZ-OD2 3.28Å
235	Y	87.6	Confident	89.9	Confident	59 Å²	59	66.7 Å²	66.7	23%	0.231	33%	0.325	C	S	.	.			trans	-92	147	170.6	78.5	-84.5	0	0	0	111.7	M170 L205 V232 P237 R241	M170-Y235 HydrophobicContact CB-CD1 4.34Å; M170-Y235 HydrophobicContact CB-CE1 3.72Å; M170-Y235 HydrophobicContact CG-CE1 4.06Å; M170-Y235 HydrophobicContact CG-CE2 4.26Å; M170-Y235 WeakPolarHBondContact CG-OH 3.4Å; L205-Y235 HydrophobicContact CD2-CD2 3.53Å; L205-Y235 HydrophobicContact CD2-CE2 4.01Å; L205-Y235 HydrophobicContact CD2-CG 4.42Å; V232-Y235 HydrophobicContact CB-CD1 4.06Å; V232-Y235 HydrophobicContact CG1-CD1 4.07Å; V232-Y235 HydrophobicContact CG1-CG 4.5Å; Y235-P237 VanDerWaalsContact O-CD 3.25Å; Y235-P237 WeakPolarHBondContact O-CD 3.25Å; Y235-P237 VanDerWaalsContact O-N 3.16Å; Y235-R241 PolarHBondContact OH-NH2 3.02Å
236	D	89.6	Confident	91	Very high	89 Å²	89	65.3 Å²	65.3	48%	0.476	32%	0.317	S	S	.	.			trans	-63.3	113.9	176.6	175.6	11.7	0	0	0	110.1	N238 H239	D236-N238 PolarHBondContact O-N 3.37Å; D236-N238 WeakPolarHBondContact OD1-CB 3.09Å; D236-N238 PolarHBondContact OD1-N 3.49Å; D236-H239 HydrophobicContact CB-CB 4.3Å; D236-H239 VanDerWaalsContact O-CB 3.26Å; D236-H239 WeakPolarHBondContact O-CB 3.27Å; D236-H239 PolarHBondContact O-N 3.27Å; D236-H239 VanDerWaalsContact O-N 3.11Å
237	P	87.1	Confident	92.1	Very high	83 Å²	83	69 Å²	69	54%	0.539	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.3	-179.2	27.9	-35.5	0	0	0	112.8	Y235 R241	Y235-P237 VanDerWaalsContact O-CD 3.25Å; Y235-P237 WeakPolarHBondContact O-CD 3.25Å; Y235-P237 VanDerWaalsContact O-N 3.16Å; P237-R241 PolarHBondContact O-NH2 3.07Å
238	N	92.2	Very high	93	Very high	137 Å²	137	63.7 Å²	63.7	73%	0.733	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.9	178.7	-58.9	-47.7	0	0	0	113.2	D236	D236-N238 PolarHBondContact O-N 3.37Å; D236-N238 WeakPolarHBondContact OD1-CB 3.09Å; D236-N238 PolarHBondContact OD1-N 3.49Å
239	H	94.4	Very high	93.7	Very high	53 Å²	53	62 Å²	62	25%	0.245	30%	0.303	C	S	.	.	S	Bend	trans	-54.4	130.8	175.3	-169.2	-62.3	0	0	0	109.7	L205 P206 D236 R241	L205-H239 HydrophobicContact CD2-CB 3.77Å; L205-H239 HydrophobicContact CG-CB 4.06Å; P206-H239 PolarHBondContact O-CE1 3.39Å; P206-H239 PolarHBondContact O-NE2 3.09Å; D236-H239 HydrophobicContact CB-CB 4.3Å; D236-H239 VanDerWaalsContact O-CB 3.26Å; D236-H239 WeakPolarHBondContact O-CB 3.27Å; D236-H239 PolarHBondContact O-N 3.27Å; D236-H239 VanDerWaalsContact O-N 3.11Å; H239-R241 WeakPolarHBondContact O-CG 3.13Å; H239-R241 PolarHBondContact O-N 2.95Å
240	P	94.9	Very high	94.3	Very high	99 Å²	99	61.6 Å²	61.6	64%	0.643	30%	0.302	S	S	*	.			trans	-51.9	130.5	178.2	-28.4	35.1	0	0	0	111.6	P206	P206-P240 WeakPolarHBondContact CD-O 3.44Å
241	R	95.7	Very high	94.7	Very high	106 Å²	106	61.4 Å²	61.4	40%	0.4	30%	0.301	S	S	.	.			trans	-107	135.2	-179.9	-57.5	-173.1	-172.8	-164.6	-2.3	109.6	V203 L205 Y235 P237 H239	V203-R241 HydrophobicContact CG1-CB 3.87Å; V203-R241 HydrophobicContact CG1-CG 4.36Å; L205-R241 HydrophobicContact CD1-CG 3.94Å; Y235-R241 PolarHBondContact OH-NH2 3.02Å; P237-R241 PolarHBondContact O-NH2 3.07Å; H239-R241 WeakPolarHBondContact O-CG 3.13Å; H239-R241 PolarHBondContact O-N 2.95Å
242	L	97.4	Very high	94.9	Very high	71 Å²	71	61.1 Å²	61.1	37%	0.372	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130	173.6	-172.7	149.8	0	0	0	109.6	F62 V203 V204 P206 V244	F62-L242 HydrophobicContact CE2-CD2 4.2Å; F62-L242 HydrophobicContact CZ-CD1 4.01Å; F62-L242 HydrophobicContact CZ-CD2 3.88Å; F62-L242 HydrophobicContact CZ-CG 4.49Å; V203-L242 WeakPolarHBondContact CA-O 3.47Å; V204-L242 HydrophobicContact CG2-CB 3.91Å; V204-L242 HydrophobicContact CG2-CD2 4.1Å; V204-L242 PolarHBondContact N-O 3.49Å; V204-L242 PolarHBondContact O-N 3.07Å; P206-L242 HydrophobicContact CG-CB 4.17Å; L242-V244 HydrophobicContact CD2-CG2 3.76Å
243	Y	97.9	Very high	95.2	Very high	88 Å²	88	60.5 Å²	60.5	35%	0.345	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120.5	175.1	-64.6	-92.2	0	0	0	108.6	R197 V203 E245	R197-Y243 HydrophobicContact CB-CD1 4.46Å; R197-Y243 HydrophobicContact CG-CD1 3.77Å; R197-Y243 HydrophobicContact CG-CE1 3.93Å; R197-Y243 HydrophobicContact CG-CG 4.39Å; R197-Y243 PolarHBondContact NH2-OH 2.91Å; V203-Y243 HydrophobicContact CG2-CD1 3.6Å; V203-Y243 HydrophobicContact CG2-CE1 3.59Å; Y243-E245 PolarHBondContact O-N 2.81Å
244	V	98.1	Very high	95.7	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	81.6	-177	-169.7	0	0	0	0	108.8	C201 L202 V204 L242 M246 V252	C201-V244 WeakPolarHBondContact CB-O 3.19Å; L202-V244 HydrophobicContact CB-CB 4.33Å; L202-V244 HydrophobicContact CB-CG2 4.48Å; L202-V244 PolarHBondContact O-N 3.24Å; V204-V244 HydrophobicContact CG1-CG2 4.09Å; V204-V244 HydrophobicContact CG2-CG2 4.09Å; L242-V244 HydrophobicContact CD2-CG2 3.76Å; V244-M246 HydrophobicContact CG1-CG 3.96Å; V244-M246 HydrophobicContact CG1-SD 3.87Å; V244-V252 HydrophobicContact CG1-CB 4.37Å; V244-V252 HydrophobicContact CG1-CG2 4.35Å
245	E	98.4	Very high	96.3	Very high	91 Å²	91	49.1 Å²	49.1	43%	0.425	24%	0.244	S	C	.	.			trans	-76.5	138.3	172.2	-59.7	-165.3	123	0	0	110.5	V195 T196 R197 Y243	V195-E245 CarbonylContact O-C 3.46Å; V195-E245 WeakPolarHBondContact O-CA 3.47Å; T196-E245 VanDerWaalsContact CA-OE1 3.25Å; T196-E245 WeakPolarHBondContact CA-OE1 3.36Å; T196-E245 WeakPolarHBondContact CB-OE1 3.4Å; R197-E245 PolarHBondContact N-OE1 3.29Å; Y243-E245 PolarHBondContact O-N 2.81Å
246	M	98.8	Very high	96.8	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-143.6	144.5	-166.2	-67.4	173.7	66	0	0	110.7	L64 W189 A191 V195 V244 D250 V252	L64-M246 HydrophobicContact CD1-CE 3.83Å; L64-M246 HydrophobicContact CD1-CG 3.86Å; L64-M246 HydrophobicContact CD1-SD 4.12Å; W189-M246 HydrophobicContact CE3-CE 3.91Å; W189-M246 HydrophobicContact CE3-SD 3.79Å; W189-M246 HydrophobicContact CZ3-CE 3.96Å; W189-M246 HydrophobicContact CZ3-SD 3.56Å; W189-M246 VanDerWaalsContact CZ3-SD 3.56Å; A191-M246 HydrophobicContact CB-CB 3.86Å; A191-M246 HydrophobicContact CB-CE 3.98Å; V195-M246 HydrophobicContact CB-CB 4.32Å; V195-M246 PolarHBondContact N-O 2.84Å; V195-M246 PolarHBondContact O-N 3.31Å; V244-M246 HydrophobicContact CG1-CG 3.96Å; V244-M246 HydrophobicContact CG1-SD 3.87Å; M246-D250 HydrophobicContact CB-CB 3.97Å; M246-D250 HydrophobicContact CE-CB 3.68Å; M246-D250 WeakPolarHBondContact CE-O 3.46Å; M246-D250 HydrophobicContact CG-CB 4.31Å; M246-V252 HydrophobicContact CE-CB 4.36Å; M246-V252 HydrophobicContact CE-CG1 4.3Å; M246-V252 HydrophobicContact SD-CB 4.26Å; M246-V252 HydrophobicContact SD-CG1 4.01Å
247	E	98.8	Very high	97.3	Very high	86 Å²	86	42.6 Å²	42.6	40%	0.402	21%	0.214	S	C	.	.			trans	-85.4	167.2	167	-56.3	-52.3	148.8	0	0	111.4	A191 R194 G249 D250	A191-E247 VanDerWaalsContact CB-O 3.25Å; A191-E247 WeakPolarHBondContact CB-O 3.46Å; R194-E247 IonicContact CZ-OE1 2.71Å; R194-E247 IonicContact CZ-OE2 3.65Å; R194-E247 IonicContact NH1-OE1 3.66Å; R194-E247 PolarHBondContact NH1-OE1 2.98Å; R194-E247 IonicContact NH1-OE2 3.67Å; R194-E247 PolarHBondContact NH1-OE2 2.86Å; R194-E247 IonicContact NH2-OE1 3.92Å; E247-G249 PolarHBondContact O-N 3.18Å; E247-D250 PolarHBondContact N-OD2 3.01Å; E247-D250 WeakPolarHBondContact O-CB 3.26Å; E247-D250 PolarHBondContact O-N 2.84Å; E247-D250 VanDerWaalsContact O-N 3.13Å
248	K	98.7	Very high	97.8	Very high	44 Å²	44	38.6 Å²	38.6	19%	0.191	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	128.8	171.4	-175.7	-174.9	174.5	-168.3	0	109.5	E71 I74 D75 D250	E71-K248 HydrophobicContact CG-CD 4.02Å; E71-K248 IonicContact OE2-NZ 3.14Å; E71-K248 PolarHBondContact OE2-NZ 2.86Å; I74-K248 HydrophobicContact CB-CG 4.46Å; I74-K248 HydrophobicContact CG1-CG 4.43Å; I74-K248 HydrophobicContact CG2-CD 4.33Å; I74-K248 HydrophobicContact CG2-CG 4Å; D75-K248 VanDerWaalsContact CG-NZ 3.27Å; D75-K248 WeakPolarHBondContact OD1-CE 3.48Å; D75-K248 IonicContact OD1-NZ 3.91Å; D75-K248 PolarHBondContact OD1-NZ 2.93Å; D75-K248 IonicContact OD2-NZ 3.87Å; D75-K248 PolarHBondContact OD2-NZ 2.92Å; K248-D250 VanDerWaalsContact C-N 3.33Å
249	G	98.8	Very high	98.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-9.9	178.7	0	0	0	0	0	115.1	L68 V69 A191 E247	L68-G249 PolarHBondContact N-O 3.33Å; V69-G249 PolarHBondContact N-O 3.34Å; V69-G249 WeakPolarHBondContact O-CA 3.48Å; A191-G249 PolarHBondContact O-N 2.88Å; E247-G249 PolarHBondContact O-N 3.18Å
250	D	98.9	Very high	98.3	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.059	15%	0.146	C	C	.	.			trans	-66.4	144.8	169.7	-70.7	-6.6	0	0	0	110.3	L64 K66 N67 T190 A191 M246 E247 K248	L64-D250 HydrophobicContact CD1-CB 4.14Å; K66-D250 WeakPolarHBondContact CA-OD1 3.48Å; N67-D250 PolarHBondContact N-OD1 2.89Å; T190-D250 WeakPolarHBondContact CA-O 3.22Å; T190-D250 WeakPolarHBondContact CG2-O 3.16Å; A191-D250 PolarHBondContact N-O 3.49Å; M246-D250 HydrophobicContact CB-CB 3.97Å; M246-D250 HydrophobicContact CE-CB 3.68Å; M246-D250 WeakPolarHBondContact CE-O 3.46Å; M246-D250 HydrophobicContact CG-CB 4.31Å; E247-D250 PolarHBondContact N-OD2 3.01Å; E247-D250 WeakPolarHBondContact O-CB 3.26Å; E247-D250 PolarHBondContact O-N 2.84Å; E247-D250 VanDerWaalsContact O-N 3.13Å; K248-D250 VanDerWaalsContact C-N 3.33Å
251	T	98.9	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.3	178.2	-55.1	0	0	0	0	110.4	I65 L68 I135 A188 W189 T190 F253	I65-T251 PolarHBondContact N-O 3.14Å; I65-T251 PolarHBondContact O-N 2.88Å; L68-T251 HydrophobicContact CD2-CG2 4.19Å; I135-T251 HydrophobicContact CD1-CG2 3.95Å; A188-T251 HydrophobicContact CB-CG2 4.18Å; W189-T251 CarbonylContact O-C 3.6Å; W189-T251 VanDerWaalsContact O-CA 3.31Å; W189-T251 WeakPolarHBondContact O-CA 3.29Å; T190-T251 WeakPolarHBondContact OG1-CG2 3.48Å; T190-T251 PolarHBondContact OG1-OG1 2.89Å; T251-F253 HydrophobicContact CG2-CD2 4.27Å; T251-F253 HydrophobicContact CG2-CE1 4.32Å; T251-F253 HydrophobicContact CG2-CE2 3.72Å; T251-F253 HydrophobicContact CG2-CZ 3.75Å
252	V	98.9	Very high	98.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.4	168.7	63.4	0	0	0	0	109.9	F62 L63 L64 W189 L202 V244 M246 F254	F62-V252 HydrophobicContact CB-CG2 4.29Å; F62-V252 HydrophobicContact CD2-CG2 4.07Å; L63-V252 CarbonylContact O-C 3.58Å; L63-V252 WeakPolarHBondContact O-CA 3.28Å; L64-V252 HydrophobicContact CD1-CB 4.26Å; W189-V252 HydrophobicContact CB-CG1 3.9Å; W189-V252 HydrophobicContact CE3-CG1 4.16Å; W189-V252 PolarHBondContact N-O 3.39Å; W189-V252 PolarHBondContact O-N 3.25Å; L202-V252 HydrophobicContact CD1-CG1 3.94Å; V244-V252 HydrophobicContact CG1-CB 4.37Å; V244-V252 HydrophobicContact CG1-CG2 4.35Å; M246-V252 HydrophobicContact CE-CB 4.36Å; M246-V252 HydrophobicContact CE-CG1 4.3Å; M246-V252 HydrophobicContact SD-CB 4.26Å; M246-V252 HydrophobicContact SD-CG1 4.01Å; V252-F254 HydrophobicContact CG1-CD1 4.37Å
253	F	98.9	Very high	97.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.5	170.7	-63.2	-89.2	0	0	0	109.1	F62 L63 I65 L68 I135 Y138 V139 F142 V186 C187 A188 T251	F62-F253 CarbonylContact C-O 3.59Å; F62-F253 WeakPolarHBondContact CA-O 3.37Å; F62-F253 WeakPolarHBondContact CB-O 3.21Å; L63-F253 PolarHBondContact N-O 3.28Å; L63-F253 PolarHBondContact O-N 3.12Å; I65-F253 HydrophobicContact CB-CE2 4.35Å; I65-F253 HydrophobicContact CG1-CD2 4.02Å; I65-F253 HydrophobicContact CG1-CE2 3.83Å; L68-F253 HydrophobicContact CD2-CE2 3.71Å; L68-F253 HydrophobicContact CD2-CZ 3.69Å; I135-F253 HydrophobicContact CD1-CZ 4.45Å; Y138-F253 VanDerWaalsContact CB-CZ 3.44Å; Y138-F253 HydrophobicContact CD2-CZ 4.44Å; Y138-F253 HydrophobicContact CG-CE2 4.09Å; Y138-F253 HydrophobicContact CG-CZ 4.11Å; V139-F253 HydrophobicContact CG2-CE1 4Å; F142-F253 HydrophobicContact CE2-CB 3.92Å; F142-F253 AromaticContact CE2-CD1 3.96Å; F142-F253 HydrophobicContact CE2-CD1 3.96Å; F142-F253 AromaticContact CE2-CG 3.95Å; F142-F253 HydrophobicContact CE2-CG 3.95Å; F142-F253 HydrophobicContact CZ-CB 4Å; F142-F253 HydrophobicContact CZ-CG 4.4Å; V186-F253 HydrophobicContact CG2-CB 4.04Å; V186-F253 HydrophobicContact CG2-CD1 4.21Å; C187-F253 CarbonylContact O-C 3.59Å; C187-F253 WeakPolarHBondContact O-CA 3.38Å; A188-F253 HydrophobicContact CB-CD1 3.84Å; A188-F253 HydrophobicContact CB-CE1 3.54Å; A188-F253 HydrophobicContact CB-CZ 4.34Å; T251-F253 HydrophobicContact CG2-CD2 4.27Å; T251-F253 HydrophobicContact CG2-CE1 4.32Å; T251-F253 HydrophobicContact CG2-CE2 3.72Å; T251-F253 HydrophobicContact CG2-CZ 3.75Å
254	F	98.9	Very high	97.1	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.022	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	151.8	177.5	64.9	-89.4	0	0	0	114.5	G61 F62 D173 C187 W189 L202 V252 L258 H260	G61-F254 WeakPolarHBondContact O-CA 3.44Å; F62-F254 HydrophobicContact CB-CB 3.74Å; D173-F254 WeakPolarHBondContact OD2-CE2 3.29Å; C187-F254 HydrophobicContact CB-CD1 3.86Å; C187-F254 HydrophobicContact CB-CD2 4.05Å; C187-F254 HydrophobicContact CB-CE1 3.54Å; C187-F254 HydrophobicContact CB-CE2 3.74Å; C187-F254 HydrophobicContact CB-CG 4.11Å; C187-F254 HydrophobicContact CB-CZ 3.48Å; C187-F254 VanDerWaalsContact CB-CZ 3.48Å; C187-F254 PolarHBondContact N-O 3.27Å; C187-F254 PolarHBondContact O-N 2.89Å; C187-F254 WeakPolarHBondContact SG-CE1 3.26Å; C187-F254 WeakPolarHBondContact SG-CZ 3.35Å; W189-F254 HydrophobicContact CB-CE1 4.11Å; L202-F254 HydrophobicContact CD1-CE1 4.28Å; V252-F254 HydrophobicContact CG1-CD1 4.37Å; F254-L258 HydrophobicContact CB-CD2 3.77Å; F254-L258 HydrophobicContact CD2-CD2 4.45Å; F254-L258 HydrophobicContact CG-CD2 4.41Å; F254-H260 AromaticContact CE2-CD2 4Å; F254-H260 AromaticContact CE2-CE1 3.44Å; F254-H260 VanDerWaalsContact CE2-CE1 3.44Å; F254-H260 WeakPolarHBondContact CE2-CE1 3.37Å; F254-H260 AromaticContact CE2-ND1 3.75Å; F254-H260 AromaticContact CE2-NE2 3.59Å; F254-H260 AromaticContact CZ-CE1 4Å; F254-H260 AromaticContact CZ-NE2 3.66Å
255	H	98.9	Very high	96.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.09	C	C	.	.			trans	-74.4	143.4	-177.4	-173.3	-88.6	0	0	0	111.1	Y42 Y57 G61 T182 D183 H209 L257 L258	Y42-H255 AromaticContact CD1-CD2 3.92Å; Y42-H255 AromaticContact CD1-NE2 3.97Å; Y42-H255 AromaticContact CE1-NE2 3.99Å; Y57-H255 WeakPolarHBondContact OH-CA 3.3Å; Y57-H255 PolarHBondContact OH-N 3.39Å; Y57-H255 VanDerWaalsContact OH-N 3.13Å; G61-H255 PolarHBondContact O-N 2.9Å; T182-H255 PolarHBondContact O-NE2 3.32Å; D183-H255 IonicContact OD1-NE2 3.74Å; D183-H255 PolarHBondContact OD1-NE2 2.95Å; H209-H255 HydrophobicContact CB-CB 3.87Å; H255-L257 WeakPolarHBondContact ND1-CB 3.27Å; H255-L257 PolarHBondContact ND1-N 2.85Å; H255-L257 VanDerWaalsContact ND1-N 3.12Å; H255-L257 PolarHBondContact O-N 3.14Å; H255-L257 VanDerWaalsContact O-N 3.15Å; H255-L258 VanDerWaalsContact O-CB 3.22Å; H255-L258 WeakPolarHBondContact O-CB 3.39Å; H255-L258 PolarHBondContact O-N 2.75Å
256	P	98.8	Very high	96.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.4	-174	33.3	-44.2	0	0	0	114.5	Q172 D173 L174 F177 I185	Q172-P256 CarbonylContact C-O 3.55Å; D173-P256 HydrophobicContact CB-CB 4.36Å; D173-P256 PolarHBondContact N-O 3.49Å; D173-P256 VanDerWaalsContact N-O 3.09Å; L174-P256 HydrophobicContact CB-CB 3.95Å; L174-P256 HydrophobicContact CB-CG 4.48Å; L174-P256 HydrophobicContact CD1-CB 4.08Å; L174-P256 HydrophobicContact CD1-CG 3.99Å; L174-P256 PolarHBondContact N-O 2.99Å; L174-P256 VanDerWaalsContact N-O 3.08Å; F177-P256 HydrophobicContact CD2-CB 4.39Å; F177-P256 HydrophobicContact CE2-CB 4.42Å; I185-P256 HydrophobicContact CB-CG 3.93Å; I185-P256 HydrophobicContact CG2-CB 4.19Å; I185-P256 HydrophobicContact CG2-CG 4Å; I185-P256 VanDerWaalsContact O-CD 3.26Å; I185-P256 WeakPolarHBondContact O-CD 3.33Å
257	L	98.8	Very high	96.2	Very high	10 Å²	10	20.8 Å²	20.8	5%	0.052	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.9	170.5	-67.9	177.2	0	0	0	113.8	Q172 L174 T182 H209 G211 L213 H255 I259	Q172-L257 PolarHBondContact NE2-O 3.2Å; L174-L257 HydrophobicContact CB-CD2 4.05Å; L174-L257 HydrophobicContact CD2-CD2 3.42Å; L174-L257 VanDerWaalsContact CD2-CD2 3.42Å; L174-L257 HydrophobicContact CD2-CG 3.94Å; L174-L257 HydrophobicContact CG-CD2 4.4Å; T182-L257 HydrophobicContact CG2-CD1 4.42Å; H209-L257 HydrophobicContact CB-CB 4.46Å; G211-L257 WeakPolarHBondContact O-CD1 3.47Å; L213-L257 HydrophobicContact CB-CD2 3.92Å; L213-L257 HydrophobicContact CD1-CD2 4.27Å; H255-L257 WeakPolarHBondContact ND1-CB 3.27Å; H255-L257 PolarHBondContact ND1-N 2.85Å; H255-L257 VanDerWaalsContact ND1-N 3.12Å; H255-L257 PolarHBondContact O-N 3.14Å; H255-L257 VanDerWaalsContact O-N 3.15Å; L257-I259 PolarHBondContact O-N 2.84Å
258	L	98.8	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-66.1	120.8	175.6	-174.3	71	0	0	0	109.1	N60 F62 V204 L205 H209 F254 H255 H260	N60-L258 VanDerWaalsContact O-CD1 3.3Å; N60-L258 WeakPolarHBondContact O-CD1 3.43Å; F62-L258 HydrophobicContact CB-CD2 3.77Å; F62-L258 HydrophobicContact CD1-CD2 4.26Å; F62-L258 HydrophobicContact CG-CD2 4.36Å; V204-L258 HydrophobicContact CB-CD2 3.99Å; V204-L258 HydrophobicContact CB-CG 4.47Å; V204-L258 HydrophobicContact CG1-CD2 3.81Å; L205-L258 VanDerWaalsContact O-CD1 3.3Å; L205-L258 WeakPolarHBondContact O-CD1 3.43Å; H209-L258 HydrophobicContact CB-CB 4.22Å; H209-L258 HydrophobicContact CB-CD1 4.39Å; F254-L258 HydrophobicContact CB-CD2 3.77Å; F254-L258 HydrophobicContact CD2-CD2 4.45Å; F254-L258 HydrophobicContact CG-CD2 4.41Å; H255-L258 VanDerWaalsContact O-CB 3.22Å; H255-L258 WeakPolarHBondContact O-CB 3.39Å; H255-L258 PolarHBondContact O-N 2.75Å; L258-H260 PolarHBondContact O-N 3.12Å; L258-H260 PolarHBondContact O-ND1 2.69Å
259	I	98.6	Very high	95.3	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.046	14%	0.138	C	C	.	.			trans	-69.8	116.5	174.9	-60.8	177.2	0	0	0	107.8	M170 H171 Q172 L205 T208 L257	M170-I259 HydrophobicContact CB-CG2 3.99Å; M170-I259 HydrophobicContact CE-CG2 3.84Å; H171-I259 WeakPolarHBondContact O-CA 3.49Å; Q172-I259 HydrophobicContact CG-CG1 3.8Å; L205-I259 HydrophobicContact CB-CB 4.35Å; L205-I259 HydrophobicContact CD2-CB 4.39Å; L205-I259 HydrophobicContact CD2-CG2 4.08Å; L205-I259 PolarHBondContact N-O 3.19Å; T208-I259 HydrophobicContact CG2-CB 4.35Å; T208-I259 HydrophobicContact CG2-CD1 4.05Å; T208-I259 HydrophobicContact CG2-CG1 4.33Å; T208-I259 PolarHBondContact OG1-N 2.84Å; L257-I259 PolarHBondContact O-N 2.84Å
260	H	98.3	Very high	95	Very high	9 Å²	9	26.1 Å²	26.1	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	162.2	-178.1	73.3	-71.8	0	0	0	111.7	M170 H171 D173 V203 V204 F254 L258	M170-H260 CarbonylContact C-O 3.58Å; M170-H260 VanDerWaalsContact CA-O 3.3Å; M170-H260 WeakPolarHBondContact CA-O 3.11Å; H171-H260 AromaticContact CE1-CD2 3.88Å; H171-H260 AromaticContact CE1-CE1 3.65Å; H171-H260 AromaticContact CE1-NE2 3.32Å; H171-H260 PolarHBondContact CE1-NE2 3.41Å; H171-H260 VanDerWaalsContact CE1-NE2 3.32Å; H171-H260 PolarHBondContact N-O 2.74Å; H171-H260 PolarHBondContact ND1-O 3.04Å; H171-H260 AromaticContact NE2-CE1 3.51Å; H171-H260 AromaticContact NE2-NE2 3.44Å; H171-H260 PolarHBondContact NE2-NE2 3.46Å; H171-H260 PolarHBondContact O-N 2.72Å; D173-H260 IonicContact OD1-CE1 2.91Å; D173-H260 PolarHBondContact OD1-CE1 2.86Å; D173-H260 IonicContact OD1-NE2 2.69Å; D173-H260 IonicContact OD2-CE1 3.42Å; D173-H260 PolarHBondContact OD2-CE1 2.86Å; D173-H260 IonicContact OD2-NE2 3.43Å; V203-H260 CarbonylContact O-C 3.56Å; V203-H260 WeakPolarHBondContact O-CA 3.3Å; V203-H260 WeakPolarHBondContact O-CB 3.3Å; V204-H260 HydrophobicContact CG1-CB 3.92Å; F254-H260 AromaticContact CE2-CD2 4Å; F254-H260 AromaticContact CE2-CE1 3.44Å; F254-H260 VanDerWaalsContact CE2-CE1 3.44Å; F254-H260 WeakPolarHBondContact CE2-CE1 3.37Å; F254-H260 AromaticContact CE2-ND1 3.75Å; F254-H260 AromaticContact CE2-NE2 3.59Å; F254-H260 AromaticContact CZ-CE1 4Å; F254-H260 AromaticContact CZ-NE2 3.66Å; L258-H260 PolarHBondContact O-N 3.12Å; L258-H260 PolarHBondContact O-ND1 2.69Å
261	G	95.9	Very high	94.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-167.7	177.1	0	0	0	0	0	110.1	L202 V203	L202-G261 CarbonylContact C-O 3.51Å; L202-G261 WeakPolarHBondContact CA-O 3.29Å; V203-G261 PolarHBondContact N-O 3.49Å; V203-G261 PolarHBondContact O-N 2.93Å
262	S	91.7	Very high	94.8	Very high	15 Å²	15	26 Å²	26	11%	0.105	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.2	173.2	70.4	0	0	0	0	111.3	R167 H168 C201	R167-S262 WeakPolarHBondContact CA-O 3.43Å; H168-S262 WeakPolarHBondContact CB-OG 3.45Å; H168-S262 PolarHBondContact N-O 2.95Å; H168-S262 PolarHBondContact N-OG 3.4Å; H168-S262 PolarHBondContact O-N 3.34Å; C201-S262 WeakPolarHBondContact O-CA 3.45Å
263	G	85.9	Confident	94.8	Very high	26 Å²	26	26 Å²	26	27%	0.268	14%	0.144	S	C	.	.			trans	-67.1	-179.2	179.4	0	0	0	0	0	113.6	K157	K157-G263 WeakPolarHBondContact CE-O 3.25Å; K157-G263 PolarHBondContact NZ-O 3.21Å
264	M	87.5	Confident	94.8	Very high	47 Å²	47	26 Å²	26	23%	0.232	14%	0.144	C	C	.	.			trans	-66.9	152.3	171.8	-64.5	177.1	-63.9	0	0	110.9	K157 K164 R167 G200 Q266	K157-M264 VanDerWaalsContact NZ-C 3.27Å; K164-M264 HydrophobicContact CB-SD 4.07Å; K164-M264 HydrophobicContact CG-CG 4.36Å; K164-M264 HydrophobicContact CG-SD 3.38Å; K164-M264 WeakPolarHBondContact CG-SD 3.24Å; R167-M264 HydrophobicContact CB-CG 4.46Å; G200-M264 WeakPolarHBondContact CA-O 3.41Å; G200-M264 PolarHBondContact N-O 2.91Å; M264-Q266 HydrophobicContact CB-CG 4.31Å
265	N	92.3	Very high	94.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.			trans	-97.8	98.4	169.4	174.6	8.1	0	0	0	107.2	K157 P158 D160 S166 N199 T267 G269	K157-N265 HydrophobicContact CD-CB 4.17Å; K157-N265 HydrophobicContact CG-CB 4.19Å; K157-N265 PolarHBondContact O-ND2 2.85Å; K157-N265 VanDerWaalsContact O-ND2 3.14Å; P158-N265 WeakPolarHBondContact O-CB 3.42Å; P158-N265 PolarHBondContact O-ND2 2.91Å; D160-N265 CarbonylContact C-O 3.6Å; D160-N265 PolarHBondContact N-O 3.36Å; S166-N265 PolarHBondContact OG-N 2.86Å; N199-N265 WeakPolarHBondContact CA-OD1 3.12Å; N265-T267 PolarHBondContact O-N 3.27Å; N265-T267 PolarHBondContact OD1-N 2.9Å; N265-T267 VanDerWaalsContact OD1-N 3.1Å; N265-T267 PolarHBondContact OD1-OG1 3.46Å; N265-G269 PolarHBondContact ND2-O 2.86Å
266	Q	91.1	Very high	94.8	Very high	123 Å²	123	25.7 Å²	25.7	58%	0.575	14%	0.143	S	C	*	.			trans	-83.2	1.3	-176.4	-60.9	176	-25.2	0	0	112.5	Q198 M264	Q198-Q266 WeakPolarHBondContact O-CB 3.39Å; Q198-Q266 PolarHBondContact O-N 3.23Å; M264-Q266 HydrophobicContact CB-CG 4.31Å
267	T	92.3	Very high	94.8	Very high	48 Å²	48	25.7 Å²	25.7	29%	0.294	14%	0.143	S	C	.	.	S	Bend	trans	-93.1	168.1	179.2	77	0	0	0	0	111.2	P159 Q198 N199 N265 G269	P159-T267 VanDerWaalsContact CB-O 3.27Å; P159-T267 WeakPolarHBondContact CB-O 3.5Å; Q198-T267 HydrophobicContact CB-CG2 4.3Å; N199-T267 HydrophobicContact CB-CG2 3.75Å; N265-T267 PolarHBondContact O-N 3.27Å; N265-T267 PolarHBondContact OD1-N 2.9Å; N265-T267 VanDerWaalsContact OD1-N 3.1Å; N265-T267 PolarHBondContact OD1-OG1 3.46Å; T267-G269 PolarHBondContact OG1-O 3.19Å
268	Q	89.6	Confident	94.8	Very high	170 Å²	170	25.2 Å²	25.2	79%	0.794	14%	0.14	S	C	*	.	S	Bend	trans	-82.7	-14.1	177.4	-60.1	-59.6	-35.9	0	0	113.2	P159	P159-Q268 WeakPolarHBondContact CG-O 3.46Å
269	G	88.8	Confident	94.8	Very high	38 Å²	38	25.2 Å²	25.2	39%	0.392	14%	0.14	S	C	.	.	S	Bend	trans	-89.2	156.8	-179.6	0	0	0	0	0	112.4	N265 T267	N265-G269 PolarHBondContact ND2-O 2.86Å; T267-G269 PolarHBondContact OG1-O 3.19Å
270	F	92.6	Very high	94.8	Very high	34 Å²	34	25.1 Å²	25.1	15%	0.149	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-85	127.9	168.4	-77	-113.7	0	0	0	110	R112 N156 K157 P158 P159	R112-F270 HydrophobicContact CB-CE2 4.12Å; R112-F270 HydrophobicContact CB-CZ 4.04Å; R112-F270 HydrophobicContact CG-CD2 4.5Å; R112-F270 HydrophobicContact CG-CE2 3.86Å; R112-F270 HydrophobicContact CG-CZ 4.29Å; R112-F270 WeakPolarHBondContact O-CZ 3.49Å; N156-F270 WeakPolarHBondContact ND2-CD1 3.31Å; N156-F270 VanDerWaalsContact OD1-CB 3.24Å; N156-F270 WeakPolarHBondContact OD1-CB 3.38Å; K157-F270 CarbonylContact O-C 3.58Å; K157-F270 VanDerWaalsContact O-CA 3.25Å; K157-F270 WeakPolarHBondContact O-CA 3.45Å; P158-F270 HydrophobicContact CB-CD1 4.09Å; P158-F270 HydrophobicContact CB-CE1 3.56Å; P158-F270 HydrophobicContact CB-CZ 3.96Å; P159-F270 HydrophobicContact CG-CD2 4.29Å; P159-F270 HydrophobicContact CG-CE2 4.26Å
271	R	96.1	Very high	94.8	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.015	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.1	-179.7	-175.4	-82.5	-66.1	152.2	-16.1	111.1	K157 V195 N199 G200	K157-R271 HydrophobicContact CB-CB 4.27Å; K157-R271 PolarHBondContact N-O 3.35Å; K157-R271 PolarHBondContact O-N 2.92Å; V195-R271 HydrophobicContact CG1-CG 4.5Å; V195-R271 HydrophobicContact CG2-CG 4.13Å; N199-R271 HydrophobicContact CB-CB 4.37Å; N199-R271 HydrophobicContact CB-CG 4.45Å; G200-R271 PolarHBondContact O-NE 3.03Å; G200-R271 PolarHBondContact O-NH2 3.24Å
272	K	98.1	Very high	94.9	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.017	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	141.6	-179.6	-67.2	177	179.2	55.9	0	114.2	F81 Q111 I155 N156 M192 E193	F81-K272 HydrophobicContact CD1-CD 4.33Å; F81-K272 HydrophobicContact CE1-CD 4.44Å; F81-K272 VanDerWaalsContact CE1-CE 3.45Å; Q111-K272 VanDerWaalsContact OE1-CE 3.27Å; I155-K272 CarbonylContact O-C 3.57Å; I155-K272 VanDerWaalsContact O-CA 3.25Å; I155-K272 WeakPolarHBondContact O-CA 3.25Å; N156-K272 HydrophobicContact CB-CG 4.45Å; N156-K272 WeakPolarHBondContact OD1-CE 3.25Å; N156-K272 VanDerWaalsContact OD1-CG 3.26Å; N156-K272 WeakPolarHBondContact OD1-CG 3.43Å; N156-K272 PolarHBondContact OD1-NZ 3.03Å; M192-K272 HydrophobicContact CB-CB 3.93Å; M192-K272 PolarHBondContact N-O 2.94Å; M192-K272 HydrophobicContact SD-CB 4.17Å; E193-K272 PolarHBondContact OE1-N 3.05Å; E193-K272 VanDerWaalsContact OE1-N 3.14Å
273	A	98.6	Very high	95.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	151.5	167.8	0	0	0	0	0	110.7	L154 I155 W189 T190 M192	L154-A273 CarbonylContact C-O 3.55Å; L154-A273 WeakPolarHBondContact CA-O 3.44Å; I155-A273 PolarHBondContact N-O 3.38Å; I155-A273 PolarHBondContact O-N 3.36Å; W189-A273 HydrophobicContact CD2-CB 4.01Å; W189-A273 HydrophobicContact CE3-CB 4.32Å; W189-A273 HydrophobicContact CH2-CB 3.4Å; W189-A273 VanDerWaalsContact CH2-CB 3.4Å; W189-A273 HydrophobicContact CZ2-CB 3Å; W189-A273 HydrophobicContact CZ3-CB 4.04Å; T190-A273 WeakPolarHBondContact O-CA 3.18Å; T190-A273 WeakPolarHBondContact O-CB 3.4Å; M192-A273 VanDerWaalsContact SD-C 3.54Å
274	I	98.9	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.7	175.9	-171.4	166	0	0	0	109.1	F77 F120 L126 Y129 M153 T190 M192	F77-I274 HydrophobicContact CB-CD1 4.41Å; F77-I274 HydrophobicContact CD2-CD1 4.35Å; F77-I274 HydrophobicContact CG-CD1 4.26Å; F120-I274 HydrophobicContact CE1-CD1 4.26Å; F120-I274 HydrophobicContact CE1-CG1 4.09Å; F120-I274 HydrophobicContact CZ-CD1 3.89Å; F120-I274 HydrophobicContact CZ-CG1 3.86Å; L126-I274 HydrophobicContact CD2-CD1 4.39Å; Y129-I274 HydrophobicContact CD1-CD1 4.19Å; Y129-I274 HydrophobicContact CD1-CG1 3.99Å; Y129-I274 HydrophobicContact CD2-CD1 4.31Å; Y129-I274 HydrophobicContact CD2-CG1 4.41Å; Y129-I274 HydrophobicContact CD2-CG2 3.76Å; Y129-I274 HydrophobicContact CE1-CG1 4.34Å; Y129-I274 HydrophobicContact CE2-CG2 3.69Å; Y129-I274 HydrophobicContact CG-CD1 3.81Å; Y129-I274 HydrophobicContact CG-CG1 4.01Å; Y129-I274 HydrophobicContact CG-CG2 4.23Å; M153-I274 CarbonylContact O-C 3.6Å; T190-I274 PolarHBondContact N-O 3.01Å; T190-I274 PolarHBondContact O-N 2.97Å; M192-I274 HydrophobicContact CG-CB 4.34Å; M192-I274 HydrophobicContact CG-CG2 4.02Å; M192-I274 HydrophobicContact SD-CB 3.74Å; M192-I274 HydrophobicContact SD-CG2 4.05Å
275	S	98.9	Very high	96.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.4	-179.7	68	0	0	0	0	113.5	M153 A188	M153-S275 WeakPolarHBondContact CE-OG 3.18Å; M153-S275 PolarHBondContact N-O 2.89Å; M153-S275 PolarHBondContact O-N 3.13Å; A188-S275 CarbonylContact O-C 3.48Å; A188-S275 WeakPolarHBondContact O-CA 3.4Å; A188-S275 WeakPolarHBondContact O-CB 3.25Å
276	C	98.9	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133	171.4	-178.8	0	0	0	0	109.1	Y129 C130 H151 A188 Y278	Y129-C276 HydrophobicContact CD1-CB 4.13Å; Y129-C276 HydrophobicContact CE1-CB 3.81Å; C130-C276 VanDerWaalsContact SG-SG 3.64Å; H151-C276 CarbonylContact O-C 3.55Å; H151-C276 VanDerWaalsContact O-CA 3.27Å; H151-C276 WeakPolarHBondContact O-CA 3.46Å; A188-C276 PolarHBondContact N-O 2.95Å; A188-C276 PolarHBondContact O-N 3.12Å; C276-Y278 HydrophobicContact CB-CD2 4.35Å; C276-Y278 HydrophobicContact CB-CE1 4.35Å; C276-Y278 HydrophobicContact CB-CE2 3.64Å; C276-Y278 VanDerWaalsContact SG-CE1 3.59Å; C276-Y278 VanDerWaalsContact SG-CZ 3.52Å
277	H	98.9	Very high	96.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.1	166	-65.6	83	0	0	0	108.8	M150 H151 D173 F177 C187	M150-H277 WeakPolarHBondContact CB-O 3.35Å; M150-H277 PolarHBondContact N-O 3.41Å; H151-H277 HydrophobicContact CB-CB 4.14Å; H151-H277 PolarHBondContact N-O 2.81Å; H151-H277 PolarHBondContact O-N 2.74Å; D173-H277 VanDerWaalsContact CG-NE2 3.25Å; D173-H277 IonicContact OD1-NE2 3.81Å; D173-H277 IonicContact OD2-CD2 2.84Å; D173-H277 IonicContact OD2-CE1 2.93Å; D173-H277 IonicContact OD2-NE2 3.79Å; D173-H277 PolarHBondContact OD2-NE2 3.05Å; F177-H277 HydrophobicContact CE2-CB 4.21Å; F177-H277 AromaticContact CE2-CD2 3.52Å; F177-H277 AromaticContact CE2-CG 3.93Å; F177-H277 HydrophobicContact CZ-CB 3.93Å; F177-H277 AromaticContact CZ-CD2 3.46Å; F177-H277 VanDerWaalsContact CZ-CD2 3.46Å; F177-H277 WeakPolarHBondContact CZ-CD2 3.39Å; F177-H277 AromaticContact CZ-CG 3.52Å; F177-H277 AromaticContact CZ-ND1 3.97Å; F177-H277 AromaticContact CZ-NE2 3.85Å; C187-H277 VanDerWaalsContact CB-CD2 3.5Å; C187-H277 WeakPolarHBondContact CB-CD2 3.33Å; C187-H277 WeakPolarHBondContact CB-NE2 3.35Å; C187-H277 PolarHBondContact SG-NE2 3.4Å
278	Y	98.9	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	152	176.9	-57.1	-90.7	0	0	0	110.5	C130 I135 L136 V139 I147 M148 A149 I185 V186 A188 C276 V326	C130-Y278 VanDerWaalsContact CA-OH 3.27Å; C130-Y278 WeakPolarHBondContact CA-OH 3.41Å; C130-Y278 WeakPolarHBondContact O-CE1 3.27Å; C130-Y278 PolarHBondContact O-OH 2.93Å; I135-Y278 HydrophobicContact CG2-CE2 4.09Å; I135-Y278 WeakPolarHBondContact CG2-OH 3.12Å; L136-Y278 HydrophobicContact CD2-CE1 4.17Å; V139-Y278 HydrophobicContact CB-CD2 4.43Å; V139-Y278 HydrophobicContact CB-CG 4.49Å; V139-Y278 HydrophobicContact CG1-CD1 4.08Å; V139-Y278 HydrophobicContact CG1-CD2 3.92Å; V139-Y278 HydrophobicContact CG1-CG 3.59Å; V139-Y278 HydrophobicContact CG2-CD2 3.55Å; V139-Y278 HydrophobicContact CG2-CE2 3.58Å; V139-Y278 HydrophobicContact CG2-CG 4.04Å; I147-Y278 HydrophobicContact CG2-CD1 3.69Å; I147-Y278 HydrophobicContact CG2-CG 4.24Å; M148-Y278 CarbonylContact O-C 3.58Å; M148-Y278 WeakPolarHBondContact O-CA 3.35Å; A149-Y278 HydrophobicContact CB-CD1 4.25Å; A149-Y278 HydrophobicContact CB-CE1 4.18Å; I185-Y278 CarbonylContact C-O 3.56Å; I185-Y278 VanDerWaalsContact CA-O 3.26Å; I185-Y278 WeakPolarHBondContact CA-O 3.5Å; I185-Y278 WeakPolarHBondContact CG2-O 3.24Å; V186-Y278 PolarHBondContact N-O 2.71Å; V186-Y278 PolarHBondContact O-N 2.86Å; A188-Y278 HydrophobicContact CB-CD2 4.41Å; A188-Y278 HydrophobicContact CB-CE2 3.82Å; C276-Y278 HydrophobicContact CB-CD2 4.35Å; C276-Y278 HydrophobicContact CB-CE1 4.35Å; C276-Y278 HydrophobicContact CB-CE2 3.64Å; C276-Y278 VanDerWaalsContact SG-CE1 3.59Å; C276-Y278 VanDerWaalsContact SG-CZ 3.52Å; Y278-V326 HydrophobicContact CD1-CG2 4.24Å; Y278-V326 HydrophobicContact CE1-CG2 4.17Å
279	A	98.9	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.2	170.2	0	0	0	0	0	109.9	M148 M150 F179 R184 I185 L333	M148-A279 PolarHBondContact N-O 3.43Å; M148-A279 PolarHBondContact O-N 3.17Å; M150-A279 HydrophobicContact CG-CB 3.72Å; F179-A279 HydrophobicContact CD2-CB 4.12Å; F179-A279 HydrophobicContact CE2-CB 3.87Å; R184-A279 CarbonylContact O-C 3.53Å; R184-A279 WeakPolarHBondContact O-CA 3.38Å; I185-A279 HydrophobicContact CG1-CB 4.06Å; A279-L333 HydrophobicContact CB-CD1 3.63Å
280	S	98.8	Very high	97.2	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	140.3	166.1	-174	0	0	0	0	110.4	T143 N146 R184 D282 C283	T143-S280 WeakPolarHBondContact O-CB 3.21Å; T143-S280 PolarHBondContact O-OG 3.49Å; T143-S280 VanDerWaalsContact O-OG 3.1Å; N146-S280 CarbonylContact O-C 3.44Å; N146-S280 VanDerWaalsContact O-CA 3.29Å; N146-S280 WeakPolarHBondContact O-CA 3.46Å; R184-S280 PolarHBondContact O-N 3.42Å; S280-D282 PolarHBondContact O-N 3.09Å; S280-D282 PolarHBondContact OG-N 3.2Å; S280-C283 VanDerWaalsContact O-CB 3.27Å; S280-C283 WeakPolarHBondContact O-CB 3.44Å; S280-C283 PolarHBondContact O-N 3.18Å; S280-C283 VanDerWaalsContact O-N 3.09Å
281	G	98	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27	170.4	0	0	0	0	0	112.5	N146 C283 T331 S332 L333	N146-G281 PolarHBondContact O-N 3.12Å; G281-C283 VanDerWaalsContact C-N 3.25Å; G281-C283 PolarHBondContact O-N 2.89Å; G281-T331 PolarHBondContact O-OG1 2.93Å; G281-S332 PolarHBondContact O-N 3.01Å; G281-L333 PolarHBondContact O-N 3.08Å
282	D	97.8	Very high	97.2	Very high	89 Å²	89	36.5 Å²	36.5	48%	0.476	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3	-179	-53.6	-29.4	0	0	0	113.2	N146 S280 T331	N146-D282 PolarHBondContact ND2-OD1 2.77Å; S280-D282 PolarHBondContact O-N 3.09Å; S280-D282 PolarHBondContact OG-N 3.2Å; D282-T331 WeakPolarHBondContact CA-OG1 3.25Å; D282-T331 PolarHBondContact N-OG1 2.78Å; D282-T331 WeakPolarHBondContact OD1-CB 3.38Å; D282-T331 WeakPolarHBondContact OD1-CG2 3.4Å; D282-T331 PolarHBondContact OD1-OG1 3.11Å
283	C	98.5	Very high	97.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.			trans	-63.6	160.3	171.9	-78.1	0	0	0	0	111.2	R180 S280 G281 S332 L333	R180-C283 CarbonylContact O-C 3.53Å; R180-C283 WeakPolarHBondContact O-CA 3.49Å; R180-C283 WeakPolarHBondContact O-CB 3.24Å; R180-C283 PolarHBondContact O-SG 3.47Å; R180-C283 VanDerWaalsContact O-SG 3.38Å; S280-C283 VanDerWaalsContact O-CB 3.27Å; S280-C283 WeakPolarHBondContact O-CB 3.44Å; S280-C283 PolarHBondContact O-N 3.18Å; S280-C283 VanDerWaalsContact O-N 3.09Å; G281-C283 VanDerWaalsContact C-N 3.25Å; G281-C283 PolarHBondContact O-N 2.89Å; C283-S332 WeakPolarHBondContact O-CB 3.34Å; C283-S332 PolarHBondContact O-OG 2.88Å; C283-L333 HydrophobicContact CB-CD1 3.39Å; C283-L333 HydrophobicContact CB-CD2 4.11Å; C283-L333 HydrophobicContact CB-CG 3.57Å; C283-L333 WeakPolarHBondContact O-CG 3.36Å; C283-L333 PolarHBondContact O-N 2.96Å
284	Y	97.7	Very high	96.9	Very high	127 Å²	127	40 Å²	40	50%	0.498	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.3	-179.7	60.8	-87.6	0	0	0	110.8	F179 R180 I286	F179-Y284 CarbonylContact C-O 3.6Å; F179-Y284 WeakPolarHBondContact CA-O 3.4Å; F179-Y284 WeakPolarHBondContact CB-O 3.36Å; R180-Y284 HydrophobicContact CB-CE1 4.19Å; R180-Y284 HydrophobicContact CB-CE2 4.11Å; R180-Y284 PolarHBondContact N-O 3.37Å; R180-Y284 WeakPolarHBondContact O-CD1 3.41Å; R180-Y284 PolarHBondContact O-N 3.3Å; Y284-I286 HydrophobicContact CD2-CG2 4.18Å; Y284-I286 HydrophobicContact CE2-CG2 3.8Å
285	Y	97.3	Very high	96.6	Very high	50 Å²	50	42.7 Å²	42.7	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	145.5	175.3	-64.7	-71.8	0	0	0	111.8	P178 F179 K316 W319 A320 L333	P178-Y285 HydrophobicContact CG-CD1 4.46Å; P178-Y285 CarbonylContact O-C 3.51Å; P178-Y285 VanDerWaalsContact O-CA 3.25Å; P178-Y285 WeakPolarHBondContact O-CA 3.19Å; F179-Y285 HydrophobicContact CB-CD1 4.1Å; F179-Y285 HydrophobicContact CB-CE1 4.36Å; F179-Y285 HydrophobicContact CD1-CD1 4.43Å; F179-Y285 HydrophobicContact CD1-CE1 4.12Å; Y285-K316 HydrophobicContact CD1-CB 4.03Å; Y285-K316 HydrophobicContact CD2-CB 4.3Å; Y285-K316 HydrophobicContact CG-CB 3.83Å; Y285-W319 HydrophobicContact CE1-CB 3.56Å; Y285-W319 HydrophobicContact CE1-CG 4.49Å; Y285-A320 HydrophobicContact CE2-CB 4.22Å; Y285-A320 WeakPolarHBondContact OH-CA 3.32Å; Y285-A320 PolarHBondContact OH-N 3.38Å; Y285-A320 VanDerWaalsContact OH-N 3.13Å; Y285-L333 HydrophobicContact CD1-CD2 4.24Å; Y285-L333 HydrophobicContact CD2-CD2 4.08Å; Y285-L333 HydrophobicContact CE1-CD2 3.9Å; Y285-L333 HydrophobicContact CE2-CD2 3.74Å; Y285-L333 HydrophobicContact CG-CD2 4.31Å; Y285-L333 PolarHBondContact OH-OXT 2.94Å
286	I	96.5	Very high	96.2	Very high	49 Å²	49	42.8 Å²	42.8	25%	0.251	22%	0.223	S	C	.	.			trans	-112.4	152.1	173.4	60.9	165.4	0	0	0	110.8	P178 R180 Y284 V288	P178-I286 HydrophobicContact CB-CG1 4.49Å; P178-I286 WeakPolarHBondContact O-CG1 3.19Å; P178-I286 PolarHBondContact O-N 3.06Å; R180-I286 HydrophobicContact CB-CG2 4.27Å; R180-I286 HydrophobicContact CG-CD1 4.28Å; R180-I286 HydrophobicContact CG-CG2 3.78Å; Y284-I286 HydrophobicContact CD2-CG2 4.18Å; Y284-I286 HydrophobicContact CE2-CG2 3.8Å; I286-V288 HydrophobicContact CD1-CG1 4.16Å; I286-V288 HydrophobicContact CG1-CG1 4.1Å
287	D	94.9	Very high	95.8	Very high	90 Å²	90	43.4 Å²	43.4	48%	0.481	23%	0.226	S	C	.	.			trans	-77.9	128.6	163.2	-169.2	-8.9	0	0	0	108.4	R289	D287-R289 WeakPolarHBondContact OD1-CB 3.49Å; D287-R289 WeakPolarHBondContact OD1-CG 3.45Å; D287-R289 PolarHBondContact OD1-N 3.14Å; D287-R289 IonicContact OD1-NE 3.93Å; D287-R289 PolarHBondContact OD1-NE 3.13Å; D287-R289 VanDerWaalsContact OD1-NE 3.13Å; D287-R289 IonicContact OD2-CZ 3.33Å; D287-R289 VanDerWaalsContact OD2-CZ 3.29Å; D287-R289 IonicContact OD2-NE 2.93Å; D287-R289 PolarHBondContact OD2-NE 3.31Å; D287-R289 IonicContact OD2-NH2 2.66Å; D287-R289 PolarHBondContact OD2-NH2 3.2Å
288	V	94.8	Very high	95.4	Very high	2 Å²	2	47 Å²	47	1%	0.012	25%	0.246	C	C	.	.			trans	-101.3	-3.4	-176.9	-63.2	0	0	0	0	112.9	P178 I286 G290 T291 Q293 E297 F315	P178-V288 HydrophobicContact CB-CG1 3.94Å; I286-V288 HydrophobicContact CD1-CG1 4.16Å; I286-V288 HydrophobicContact CG1-CG1 4.1Å; V288-G290 PolarHBondContact O-N 2.82Å; V288-T291 WeakPolarHBondContact O-CB 3.3Å; V288-T291 WeakPolarHBondContact O-CG2 3Å; V288-T291 PolarHBondContact O-N 3.09Å; V288-T291 PolarHBondContact O-OG1 3.01Å; V288-Q293 HydrophobicContact CB-CB 3.88Å; V288-Q293 HydrophobicContact CG1-CB 3.89Å; V288-E297 HydrophobicContact CG2-CB 3.61Å; V288-E297 HydrophobicContact CG2-CG 4.3Å; V288-E297 WeakPolarHBondContact CG2-OE2 3.31Å; V288-F315 HydrophobicContact CG2-CD1 4.04Å; V288-F315 HydrophobicContact CG2-CE1 4.47Å
289	R	93.8	Very high	95	Very high	162 Å²	162	48.8 Å²	48.8	61%	0.611	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	135.8	177.1	-67.8	-179.8	-65.9	171	1.5	111.3	D287 T291 E294 E297	D287-R289 WeakPolarHBondContact OD1-CB 3.49Å; D287-R289 WeakPolarHBondContact OD1-CG 3.45Å; D287-R289 PolarHBondContact OD1-N 3.14Å; D287-R289 IonicContact OD1-NE 3.93Å; D287-R289 PolarHBondContact OD1-NE 3.13Å; D287-R289 VanDerWaalsContact OD1-NE 3.13Å; D287-R289 IonicContact OD2-CZ 3.33Å; D287-R289 VanDerWaalsContact OD2-CZ 3.29Å; D287-R289 IonicContact OD2-NE 2.93Å; D287-R289 PolarHBondContact OD2-NE 3.31Å; D287-R289 IonicContact OD2-NH2 2.66Å; D287-R289 PolarHBondContact OD2-NH2 3.2Å; R289-T291 PolarHBondContact O-N 3.19Å; R289-E294 WeakPolarHBondContact CA-OE1 3.29Å; R289-E297 WeakPolarHBondContact CG-OE2 3.45Å
290	G	93.9	Very high	94.4	Very high	71 Å²	71	50.3 Å²	50.3	73%	0.732	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	13	-173.9	0	0	0	0	0	115.4	V288 E294	V288-G290 PolarHBondContact O-N 2.82Å; G290-E294 VanDerWaalsContact N-CD 3.33Å; G290-E294 PolarHBondContact N-OE1 2.69Å
291	T	95.5	Very high	93.8	Very high	62 Å²	62	53.6 Å²	53.6	38%	0.38	28%	0.276	S	S	.	.	S	Bend	trans	-109.5	173.7	174.3	79.5	0	0	0	0	111.3	V288 R289 Q293 E294	V288-T291 WeakPolarHBondContact O-CB 3.3Å; V288-T291 WeakPolarHBondContact O-CG2 3Å; V288-T291 PolarHBondContact O-N 3.09Å; V288-T291 PolarHBondContact O-OG1 3.01Å; R289-T291 PolarHBondContact O-N 3.19Å; T291-Q293 PolarHBondContact O-N 3.02Å; T291-Q293 PolarHBondContact OG1-N 2.94Å; T291-E294 WeakPolarHBondContact O-CB 3.3Å; T291-E294 PolarHBondContact O-N 2.85Å; T291-E294 VanDerWaalsContact O-N 3.08Å
292	T	93.9	Very high	93.3	Very high	53 Å²	53	57.6 Å²	57.6	33%	0.325	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-7	174.9	63.5	0	0	0	0	114.3	H175 E215 N295	H175-T292 PolarHBondContact CE1-O 3.26Å; E215-T292 HydrophobicContact CG-CG2 3.65Å; T292-N295 PolarHBondContact O-OD1 3.46Å
293	Q	95.9	Very high	92.6	Very high	3 Å²	3	56.7 Å²	56.7	1%	0.014	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	2.5	176.6	-60.9	-176	-104.9	0	0	113.1	L174 H175 F177 L213 V288 T291 N295 I296 E297	L174-Q293 PolarHBondContact O-NE2 3.13Å; H175-Q293 WeakPolarHBondContact O-CG 3.38Å; H175-Q293 PolarHBondContact O-NE2 3.24Å; F177-Q293 PolarHBondContact O-NE2 3.28Å; L213-Q293 HydrophobicContact CD2-CG 3.59Å; V288-Q293 HydrophobicContact CB-CB 3.88Å; V288-Q293 HydrophobicContact CG1-CB 3.89Å; T291-Q293 PolarHBondContact O-N 3.02Å; T291-Q293 PolarHBondContact OG1-N 2.94Å; Q293-N295 PolarHBondContact O-N 2.81Å; Q293-I296 HydrophobicContact CB-CG2 4.09Å; Q293-I296 WeakPolarHBondContact O-CG2 3.26Å; Q293-I296 PolarHBondContact O-N 2.94Å; Q293-E297 PolarHBondContact O-N 2.7Å
294	E	94.2	Very high	91.8	Very high	74 Å²	74	57.2 Å²	57.2	35%	0.346	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-34.9	179.2	-178.6	167.5	-116.7	0	0	112	R289 G290 T291 I296 E297 N298	R289-E294 WeakPolarHBondContact CA-OE1 3.29Å; G290-E294 VanDerWaalsContact N-CD 3.33Å; G290-E294 PolarHBondContact N-OE1 2.69Å; T291-E294 WeakPolarHBondContact O-CB 3.3Å; T291-E294 PolarHBondContact O-N 2.85Å; T291-E294 VanDerWaalsContact O-N 3.08Å; E294-I296 VanDerWaalsContact C-N 3.34Å; E294-I296 PolarHBondContact O-N 3.09Å; E294-E297 PolarHBondContact O-N 3.26Å; E294-N298 PolarHBondContact O-N 3.4Å; E294-N298 VanDerWaalsContact O-N 3.1Å; E294-N298 PolarHBondContact O-ND2 3.38Å
295	N	92.1	Very high	91	Very high	56 Å²	56	54.4 Å²	54.4	30%	0.299	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-42.3	177.1	63.8	-19.4	0	0	0	112.5	H175 H216 T292 Q293 N298 E299	H175-N295 PolarHBondContact CE1-OD1 3.03Å; H216-N295 PolarHBondContact O-ND2 2.91Å; H216-N295 VanDerWaalsContact O-ND2 3.15Å; T292-N295 PolarHBondContact O-OD1 3.46Å; Q293-N295 PolarHBondContact O-N 2.81Å; N295-N298 PolarHBondContact O-N 3.08Å; N295-E299 PolarHBondContact O-N 3.27Å
296	I	90.8	Very high	90.3	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-72.2	-34.8	-179.3	-171.6	59.8	0	0	0	111.9	H175 Y176 M228 Q293 E294 N298 E299 V300 F315	H175-I296 VanDerWaalsContact O-CG2 3.32Å; H175-I296 WeakPolarHBondContact O-CG2 3.22Å; Y176-I296 HydrophobicContact CD1-CD1 3.51Å; Y176-I296 HydrophobicContact CD1-CG1 3.67Å; Y176-I296 HydrophobicContact CE1-CD1 3.58Å; Y176-I296 HydrophobicContact CE1-CG1 4.17Å; M228-I296 HydrophobicContact CE-CD1 4Å; M228-I296 HydrophobicContact SD-CD1 3.4Å; M228-I296 WeakPolarHBondContact SD-CD1 3.27Å; Q293-I296 HydrophobicContact CB-CG2 4.09Å; Q293-I296 WeakPolarHBondContact O-CG2 3.26Å; Q293-I296 PolarHBondContact O-N 2.94Å; E294-I296 VanDerWaalsContact C-N 3.34Å; E294-I296 PolarHBondContact O-N 3.09Å; I296-N298 VanDerWaalsContact C-N 3.32Å; I296-N298 PolarHBondContact O-N 2.94Å; I296-E299 PolarHBondContact O-N 3.42Å; I296-V300 HydrophobicContact CD1-CG2 4.04Å; I296-V300 HydrophobicContact CG1-CG2 4.21Å; I296-V300 WeakPolarHBondContact O-CB 3.42Å; I296-V300 VanDerWaalsContact O-CG2 3.24Å; I296-V300 WeakPolarHBondContact O-CG2 3.38Å; I296-V300 PolarHBondContact O-N 2.94Å; I296-F315 HydrophobicContact CG2-CZ 4.41Å
297	E	91	Very high	89.3	Confident	13 Å²	13	63.3 Å²	63.3	6%	0.061	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-45.8	172.8	169.6	171	-147.1	0	0	110.7	V288 R289 Q293 E294 V300 K301 F315	V288-E297 HydrophobicContact CG2-CB 3.61Å; V288-E297 HydrophobicContact CG2-CG 4.3Å; V288-E297 WeakPolarHBondContact CG2-OE2 3.31Å; R289-E297 WeakPolarHBondContact CG-OE2 3.45Å; Q293-E297 PolarHBondContact O-N 2.7Å; E294-E297 PolarHBondContact O-N 3.26Å; E297-V300 PolarHBondContact O-N 3.18Å; E297-K301 HydrophobicContact CG-CD 4.06Å; E297-K301 WeakPolarHBondContact O-CB 3.48Å; E297-K301 WeakPolarHBondContact O-CG 3.36Å; E297-K301 PolarHBondContact O-N 2.84Å; E297-K301 WeakPolarHBondContact OE1-CE 3.32Å; E297-K301 IonicContact OE1-NZ 3.05Å; E297-K301 PolarHBondContact OE1-NZ 3.34Å; E297-K301 IonicContact OE2-NZ 3.59Å; E297-F315 HydrophobicContact CB-CB 4.43Å; E297-F315 HydrophobicContact CB-CD1 4.1Å; E297-F315 HydrophobicContact CB-CG 4.17Å; E297-F315 HydrophobicContact CG-CB 3.91Å; E297-F315 HydrophobicContact CG-CD1 4.49Å; E297-F315 HydrophobicContact CG-CG 4.17Å
298	N	90.1	Very high	88.4	Confident	79 Å²	79	65.1 Å²	65.1	42%	0.422	33%	0.329	S	S	.	.	H	α-helix	trans	-63.7	-44.9	178.8	-68.6	-29	0	0	0	111.7	E294 N295 I296 V300 K301 D302	E294-N298 PolarHBondContact O-N 3.4Å; E294-N298 VanDerWaalsContact O-N 3.1Å; E294-N298 PolarHBondContact O-ND2 3.38Å; N295-N298 PolarHBondContact O-N 3.08Å; I296-N298 VanDerWaalsContact C-N 3.32Å; I296-N298 PolarHBondContact O-N 2.94Å; N298-V300 PolarHBondContact O-N 3.27Å; N298-K301 PolarHBondContact O-N 2.71Å; N298-D302 PolarHBondContact O-N 3.34Å
299	E	89.7	Confident	87.5	Confident	36 Å²	36	67.9 Å²	67.9	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-41.5	178.4	-168.7	-179.5	166.5	0	0	112.1	Y218 M228 H230 N295 I296 D302 I303	Y218-E299 VanDerWaalsContact OH-CD 3.27Å; Y218-E299 PolarHBondContact OH-OE1 3.48Å; Y218-E299 PolarHBondContact OH-OE2 3.13Å; Y218-E299 VanDerWaalsContact OH-OE2 3.05Å; M228-E299 HydrophobicContact CE-CB 4.12Å; M228-E299 HydrophobicContact CE-CG 3.55Å; M228-E299 WeakPolarHBondContact CE-OE1 3.17Å; M228-E299 HydrophobicContact SD-CG 4.48Å; H230-E299 IonicContact CE1-OE2 2.56Å; H230-E299 PolarHBondContact CE1-OE2 2.95Å; H230-E299 IonicContact NE2-OE2 3.13Å; H230-E299 PolarHBondContact NE2-OE2 3.3Å; N295-E299 PolarHBondContact O-N 3.27Å; I296-E299 PolarHBondContact O-N 3.42Å; E299-D302 PolarHBondContact O-N 3.37Å; E299-I303 HydrophobicContact CG-CD1 4.32Å; E299-I303 WeakPolarHBondContact O-CG1 3.18Å; E299-I303 PolarHBondContact O-N 3.35Å
300	V	87.1	Confident	86.4	Confident	32 Å²	32	64.4 Å²	64.4	19%	0.194	35%	0.349	C	S	.	.	H	α-helix	trans	-67	-40.6	178.4	176.3	0	0	0	0	111	M228 I296 E297 N298 I303 A304 F315 M318	M228-V300 HydrophobicContact CE-CG2 3.97Å; I296-V300 HydrophobicContact CD1-CG2 4.04Å; I296-V300 HydrophobicContact CG1-CG2 4.21Å; I296-V300 WeakPolarHBondContact O-CB 3.42Å; I296-V300 VanDerWaalsContact O-CG2 3.24Å; I296-V300 WeakPolarHBondContact O-CG2 3.38Å; I296-V300 PolarHBondContact O-N 2.94Å; E297-V300 PolarHBondContact O-N 3.18Å; N298-V300 PolarHBondContact O-N 3.27Å; V300-I303 PolarHBondContact O-N 2.98Å; V300-A304 WeakPolarHBondContact O-CB 3.25Å; V300-A304 PolarHBondContact O-N 3.44Å; V300-F315 HydrophobicContact CB-CD2 4.33Å; V300-F315 HydrophobicContact CB-CE2 4.01Å; V300-F315 HydrophobicContact CG1-CD2 4.26Å; V300-F315 HydrophobicContact CG1-CE2 4.09Å; V300-F315 HydrophobicContact CG2-CE2 3.97Å; V300-M318 HydrophobicContact CB-CE 4.45Å; V300-M318 HydrophobicContact CG1-CE 3.45Å; V300-M318 VanDerWaalsContact CG1-CE 3.45Å; V300-M318 HydrophobicContact CG1-SD 3.59Å; V300-M318 VanDerWaalsContact CG1-SD 3.59Å
301	K	86.8	Confident	85	Confident	75 Å²	75	67.3 Å²	67.3	33%	0.326	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-45.2	173.5	-77.4	175.8	-177.5	166.7	0	111.6	E297 N298 I303 A304 L305	E297-K301 HydrophobicContact CG-CD 4.06Å; E297-K301 WeakPolarHBondContact O-CB 3.48Å; E297-K301 WeakPolarHBondContact O-CG 3.36Å; E297-K301 PolarHBondContact O-N 2.84Å; E297-K301 WeakPolarHBondContact OE1-CE 3.32Å; E297-K301 IonicContact OE1-NZ 3.05Å; E297-K301 PolarHBondContact OE1-NZ 3.34Å; E297-K301 IonicContact OE2-NZ 3.59Å; N298-K301 PolarHBondContact O-N 2.71Å; K301-I303 VanDerWaalsContact C-N 3.29Å; K301-I303 PolarHBondContact O-N 2.96Å; K301-A304 PolarHBondContact O-N 3.34Å; K301-L305 WeakPolarHBondContact O-CB 3.34Å; K301-L305 PolarHBondContact O-N 3.29Å
302	D	86.2	Confident	83.6	Confident	85 Å²	85	73.4 Å²	73.4	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-39.2	177	-84	-1.1	0	0	0	112.4	N298 E299 K306	N298-D302 PolarHBondContact O-N 3.34Å; E299-D302 PolarHBondContact O-N 3.37Å; D302-K306 WeakPolarHBondContact O-CB 3.46Å; D302-K306 WeakPolarHBondContact O-CD 3.02Å; D302-K306 VanDerWaalsContact O-CG 3.24Å; D302-K306 WeakPolarHBondContact O-CG 3.38Å; D302-K306 PolarHBondContact O-N 2.95Å
303	I	83.4	Confident	82.6	Confident	70 Å²	70	73 Å²	73	36%	0.359	37%	0.368	S	S	.	.	H	α-helix	trans	-68.3	-45.1	175.7	-70.3	170.3	0	0	0	110.9	M228 E299 V300 K301 L305 K306 K307	M228-I303 HydrophobicContact CE-CD1 3.28Å; E299-I303 HydrophobicContact CG-CD1 4.32Å; E299-I303 WeakPolarHBondContact O-CG1 3.18Å; E299-I303 PolarHBondContact O-N 3.35Å; V300-I303 PolarHBondContact O-N 2.98Å; K301-I303 VanDerWaalsContact C-N 3.29Å; K301-I303 PolarHBondContact O-N 2.96Å; I303-L305 VanDerWaalsContact C-N 3.31Å; I303-L305 PolarHBondContact O-N 3.43Å; I303-K306 PolarHBondContact O-N 3.38Å; I303-K307 VanDerWaalsContact O-CB 3.25Å; I303-K307 WeakPolarHBondContact O-CB 3.46Å; I303-K307 PolarHBondContact O-N 3.32Å
304	A	81.3	Confident	82	Confident	10 Å²	10	74.5 Å²	74.5	8%	0.083	38%	0.381	C	S	.	.	H	α-helix	trans	-60.8	-42.9	179.1	0	0	0	0	0	111.4	V300 K301 Y308 M318	V300-A304 WeakPolarHBondContact O-CB 3.25Å; V300-A304 PolarHBondContact O-N 3.44Å; K301-A304 PolarHBondContact O-N 3.34Å; A304-Y308 WeakPolarHBondContact O-CA 3.4Å; A304-Y308 WeakPolarHBondContact O-CB 3.02Å; A304-Y308 PolarHBondContact O-N 3.46Å; A304-M318 HydrophobicContact CB-SD 4.36Å
305	L	82.8	Confident	81.4	Confident	68 Å²	68	71.4 Å²	71.4	36%	0.356	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-52.3	174.9	177.5	54.1	0	0	0	111.6	K301 I303 K307 G309 N311	K301-L305 WeakPolarHBondContact O-CB 3.34Å; K301-L305 PolarHBondContact O-N 3.29Å; I303-L305 VanDerWaalsContact C-N 3.31Å; I303-L305 PolarHBondContact O-N 3.43Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 2.96Å; L305-G309 VanDerWaalsContact O-CA 3.25Å; L305-G309 WeakPolarHBondContact O-CA 3.47Å; L305-G309 PolarHBondContact O-N 2.97Å; L305-N311 WeakPolarHBondContact CD1-OD1 3.32Å; L305-N311 WeakPolarHBondContact CD2-OD1 3.49Å
306	K	80.9	Confident	81.2	Confident	174 Å²	174	73.9 Å²	73.9	76%	0.757	37%	0.374	S	S	*	.	H	α-helix	trans	-63.9	-35	-177.8	-74.4	170.2	-174.3	164.6	0	113.1	D302 I303	D302-K306 WeakPolarHBondContact O-CB 3.46Å; D302-K306 WeakPolarHBondContact O-CD 3.02Å; D302-K306 VanDerWaalsContact O-CG 3.24Å; D302-K306 WeakPolarHBondContact O-CG 3.38Å; D302-K306 PolarHBondContact O-N 2.95Å; I303-K306 PolarHBondContact O-N 3.38Å
307	K	75.3	Confident	81	Confident	113 Å²	113	76.8 Å²	76.8	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-92.2	-35.1	-173.2	-168	175.7	176.5	-161.8	0	113.4	I303 L305	I303-K307 VanDerWaalsContact O-CB 3.25Å; I303-K307 WeakPolarHBondContact O-CB 3.46Å; I303-K307 PolarHBondContact O-N 3.32Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 2.96Å
308	Y	75.9	Confident	80.9	Confident	127 Å²	127	77.9 Å²	77.9	50%	0.498	40%	0.396	S	S	.	.	H	α-helix	trans	-123	-3.7	-171.2	-52.1	-65.3	0	0	0	113.6	A304 M310	A304-Y308 WeakPolarHBondContact O-CA 3.4Å; A304-Y308 WeakPolarHBondContact O-CB 3.02Å; A304-Y308 PolarHBondContact O-N 3.46Å; Y308-M310 PolarHBondContact O-N 3.43Å
309	G	75.9	Confident	81	Confident	60 Å²	60	74.6 Å²	74.6	62%	0.619	38%	0.377	S	S	*	.			trans	65.5	17.7	-176.5	0	0	0	0	0	113.4	L305	L305-G309 VanDerWaalsContact O-CA 3.25Å; L305-G309 WeakPolarHBondContact O-CA 3.47Å; L305-G309 PolarHBondContact O-N 2.97Å
310	M	71.8	Confident	81.1	Confident	89 Å²	89	74.1 Å²	74.1	44%	0.438	38%	0.379	S	S	.	.			trans	-91.6	117.8	-176.5	-66.5	-174.1	73.3	0	0	110.4	Y308 L313	Y308-M310 PolarHBondContact O-N 3.43Å; M310-L313 HydrophobicContact CE-CB 4.17Å; M310-L313 HydrophobicContact CE-CD1 4.04Å; M310-L313 HydrophobicContact CE-CD2 4.1Å; M310-L313 HydrophobicContact CE-CG 4.35Å
311	N	64.7	Low	81.3	Confident	132 Å²	132	78.3 Å²	78.3	71%	0.706	40%	0.4	S	S	*	.			trans	-100	-17.3	179.3	-101.9	-11	0	0	0	114.3	L305	L305-N311 WeakPolarHBondContact CD1-OD1 3.32Å; L305-N311 WeakPolarHBondContact CD2-OD1 3.49Å
312	E	66.4	Low	81.5	Confident	191 Å²	191	76.9 Å²	76.9	89%	0.893	39%	0.393	S	S	*	.			trans	-114.9	8.1	-165.2	-64.8	-170.6	167.8	0	0	115.1	A314	E312-A314 PolarHBondContact O-N 3.49Å
313	L	73	Confident	82	Confident	44 Å²	44	72.9 Å²	72.9	23%	0.23	37%	0.371	C	S	.	.			trans	-82.9	118.5	-178.9	-156.8	71.2	0	0	0	110.6	M310 D317 M318 L321	M310-L313 HydrophobicContact CE-CB 4.17Å; M310-L313 HydrophobicContact CE-CD1 4.04Å; M310-L313 HydrophobicContact CE-CD2 4.1Å; M310-L313 HydrophobicContact CE-CG 4.35Å; L313-D317 HydrophobicContact CD1-CB 3.92Å; L313-D317 HydrophobicContact CG-CB 4.09Å; L313-M318 HydrophobicContact CD2-CB 4.42Å; L313-M318 HydrophobicContact CD2-CG 3.24Å; L313-M318 HydrophobicContact CD2-SD 4.24Å; L313-M318 HydrophobicContact CG-CG 4Å; L313-L321 HydrophobicContact CD2-CD1 4.5Å
314	A	82.3	Confident	82.7	Confident	35 Å²	35	73 Å²	73	29%	0.289	37%	0.367	S	S	.	.			trans	-69.1	151.6	176.4	0	0	0	0	0	110.5	E312 K316 D317 M318	E312-A314 PolarHBondContact O-N 3.49Å; A314-K316 HydrophobicContact CB-CG 4.13Å; A314-K316 PolarHBondContact O-N 3.36Å; A314-D317 VanDerWaalsContact CB-OD2 3.31Å; A314-D317 WeakPolarHBondContact CB-OD2 3.23Å; A314-D317 PolarHBondContact N-OD2 3.08Å; A314-D317 WeakPolarHBondContact O-CB 3.26Å; A314-D317 PolarHBondContact O-N 3.1Å; A314-M318 PolarHBondContact O-N 3.35Å
315	F	82.8	Confident	83.5	Confident	8 Å²	8	76.1 Å²	76.1	4%	0.035	38%	0.382	C	S	.	.	H	α-helix	trans	-56.6	-39.7	-177.6	-170.8	-136.7	0	0	0	112.6	P178 V288 I296 E297 V300 D317 M318 W319	P178-F315 HydrophobicContact CB-CD1 3.6Å; P178-F315 HydrophobicContact CB-CE1 3.55Å; P178-F315 HydrophobicContact CG-CD1 3.59Å; P178-F315 HydrophobicContact CG-CE1 3.44Å; P178-F315 VanDerWaalsContact CG-CE1 3.44Å; P178-F315 HydrophobicContact CG-CG 4.41Å; P178-F315 HydrophobicContact CG-CZ 4.13Å; V288-F315 HydrophobicContact CG2-CD1 4.04Å; V288-F315 HydrophobicContact CG2-CE1 4.47Å; I296-F315 HydrophobicContact CG2-CZ 4.41Å; E297-F315 HydrophobicContact CB-CB 4.43Å; E297-F315 HydrophobicContact CB-CD1 4.1Å; E297-F315 HydrophobicContact CB-CG 4.17Å; E297-F315 HydrophobicContact CG-CB 3.91Å; E297-F315 HydrophobicContact CG-CD1 4.49Å; E297-F315 HydrophobicContact CG-CG 4.17Å; V300-F315 HydrophobicContact CB-CD2 4.33Å; V300-F315 HydrophobicContact CB-CE2 4.01Å; V300-F315 HydrophobicContact CG1-CD2 4.26Å; V300-F315 HydrophobicContact CG1-CE2 4.09Å; V300-F315 HydrophobicContact CG2-CE2 3.97Å; F315-D317 VanDerWaalsContact C-N 3.32Å; F315-D317 PolarHBondContact O-N 2.82Å; F315-M318 HydrophobicContact CB-CE 4.44Å; F315-M318 HydrophobicContact CD2-CE 3.7Å; F315-M318 PolarHBondContact O-N 3.32Å; F315-W319 AromaticContact CE2-NE1 3.49Å; F315-W319 AromaticContact CZ-NE1 3.4Å
316	K	86.3	Confident	84.3	Confident	109 Å²	109	74.1 Å²	74.1	47%	0.474	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-36.4	174.9	69.7	-178.8	-174.4	175.7	0	113.5	Y285 A314 M318 W319 A320	Y285-K316 HydrophobicContact CD1-CB 4.03Å; Y285-K316 HydrophobicContact CD2-CB 4.3Å; Y285-K316 HydrophobicContact CG-CB 3.83Å; A314-K316 HydrophobicContact CB-CG 4.13Å; A314-K316 PolarHBondContact O-N 3.36Å; K316-M318 PolarHBondContact O-N 3.37Å; K316-W319 PolarHBondContact O-N 3.09Å; K316-A320 PolarHBondContact O-N 3.01Å
317	D	88.1	Confident	85.1	Confident	62 Å²	62	68.7 Å²	68.7	33%	0.332	35%	0.35	S	S	.	.	H	α-helix	trans	-71.2	-36.2	-174.5	-57.8	-30.1	0	0	0	110.3	L313 A314 F315 W319 A320 L321	L313-D317 HydrophobicContact CD1-CB 3.92Å; L313-D317 HydrophobicContact CG-CB 4.09Å; A314-D317 VanDerWaalsContact CB-OD2 3.31Å; A314-D317 WeakPolarHBondContact CB-OD2 3.23Å; A314-D317 PolarHBondContact N-OD2 3.08Å; A314-D317 WeakPolarHBondContact O-CB 3.26Å; A314-D317 PolarHBondContact O-N 3.1Å; F315-D317 VanDerWaalsContact C-N 3.32Å; F315-D317 PolarHBondContact O-N 2.82Å; D317-W319 VanDerWaalsContact C-N 3.29Å; D317-W319 PolarHBondContact O-N 3.13Å; D317-A320 PolarHBondContact O-N 3.37Å; D317-L321 WeakPolarHBondContact O-CB 3.42Å; D317-L321 VanDerWaalsContact O-CG 3.25Å; D317-L321 WeakPolarHBondContact O-CG 3.48Å; D317-L321 PolarHBondContact O-N 3.09Å
318	M	87.4	Confident	86.2	Confident	37 Å²	37	65.5 Å²	65.5	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-41.4	171.8	-72.9	-176.6	-73.8	0	0	112.1	V300 A304 L313 A314 F315 K316 R322	V300-M318 HydrophobicContact CB-CE 4.45Å; V300-M318 HydrophobicContact CG1-CE 3.45Å; V300-M318 VanDerWaalsContact CG1-CE 3.45Å; V300-M318 HydrophobicContact CG1-SD 3.59Å; V300-M318 VanDerWaalsContact CG1-SD 3.59Å; A304-M318 HydrophobicContact CB-SD 4.36Å; L313-M318 HydrophobicContact CD2-CB 4.42Å; L313-M318 HydrophobicContact CD2-CG 3.24Å; L313-M318 HydrophobicContact CD2-SD 4.24Å; L313-M318 HydrophobicContact CG-CG 4Å; A314-M318 PolarHBondContact O-N 3.35Å; F315-M318 HydrophobicContact CB-CE 4.44Å; F315-M318 HydrophobicContact CD2-CE 3.7Å; F315-M318 PolarHBondContact O-N 3.32Å; K316-M318 PolarHBondContact O-N 3.37Å; M318-R322 WeakPolarHBondContact O-CB 3.31Å; M318-R322 PolarHBondContact O-N 3.16Å; M318-R322 VanDerWaalsContact O-N 3.16Å
319	W	93.2	Very high	87.1	Confident	10 Å²	10	65.9 Å²	65.9	4%	0.038	36%	0.356	C	S	.	.	H	α-helix	trans	-72.1	-37.5	177.6	-77.9	99.9	0	0	0	112.6	M150 H151 Y176 F177 P178 F179 Y285 F315 K316 D317 R322 G323	M150-W319 HydrophobicContact CB-CZ3 4.41Å; M150-W319 HydrophobicContact CE-CE3 4.3Å; M150-W319 VanDerWaalsContact O-CZ3 3.29Å; M150-W319 WeakPolarHBondContact O-CZ3 3.38Å; H151-W319 HydrophobicContact CB-CH2 4.09Å; H151-W319 HydrophobicContact CB-CZ3 3.94Å; Y176-W319 WeakPolarHBondContact O-CZ2 3.1Å; F177-W319 AromaticContact CD1-CH2 3.4Å; F177-W319 HydrophobicContact CD1-CH2 3.4Å; F177-W319 VanDerWaalsContact CD1-CH2 3.4Å; F177-W319 AromaticContact CD1-CZ2 3.77Å; F177-W319 HydrophobicContact CD1-CZ2 3.77Å; F177-W319 HydrophobicContact CD1-CZ3 4.14Å; F177-W319 AromaticContact CE1-CH2 3.58Å; F177-W319 HydrophobicContact CE1-CH2 3.58Å; F177-W319 HydrophobicContact CE1-CZ2 4.29Å; F177-W319 HydrophobicContact CE1-CZ3 4.33Å; P178-W319 VanDerWaalsContact CD-CD1 3.49Å; P178-W319 HydrophobicContact CG-CG 4Å; F179-W319 AromaticContact CE1-CD2 3.96Å; F179-W319 HydrophobicContact CE1-CD2 3.96Å; F179-W319 AromaticContact CE1-CE3 3.67Å; F179-W319 HydrophobicContact CE1-CE3 3.67Å; F179-W319 HydrophobicContact CE1-CH2 4.48Å; F179-W319 AromaticContact CE1-CZ3 3.93Å; F179-W319 HydrophobicContact CE1-CZ3 3.93Å; F179-W319 HydrophobicContact CZ-CE3 4.42Å; F179-W319 HydrophobicContact CZ-CZ3 4.32Å; Y285-W319 HydrophobicContact CE1-CB 3.56Å; Y285-W319 HydrophobicContact CE1-CG 4.49Å; F315-W319 AromaticContact CE2-NE1 3.49Å; F315-W319 AromaticContact CZ-NE1 3.4Å; K316-W319 PolarHBondContact O-N 3.09Å; D317-W319 VanDerWaalsContact C-N 3.29Å; D317-W319 PolarHBondContact O-N 3.13Å; W319-R322 VanDerWaalsContact CH2-NH1 3.27Å; W319-R322 PolarHBondContact O-N 3.47Å; W319-G323 PolarHBondContact O-N 3.5Å
320	A	92	Very high	88	Confident	26 Å²	26	68.9 Å²	68.9	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-39.3	177	0	0	0	0	0	111.9	Y285 K316 D317 R322 R330	Y285-A320 HydrophobicContact CE2-CB 4.22Å; Y285-A320 WeakPolarHBondContact OH-CA 3.32Å; Y285-A320 PolarHBondContact OH-N 3.38Å; Y285-A320 VanDerWaalsContact OH-N 3.13Å; K316-A320 PolarHBondContact O-N 3.01Å; D317-A320 PolarHBondContact O-N 3.37Å; A320-R322 VanDerWaalsContact C-N 3.32Å; A320-R330 PolarHBondContact O-NH2 3.41Å
321	L	90.7	Very high	88.9	Confident	119 Å²	119	67.9 Å²	67.9	62%	0.623	35%	0.348	S	S	*	.	H	α-helix	trans	-68.6	-30.1	174.9	-70.7	171.2	0	0	0	112.8	L313 D317 R324	L313-L321 HydrophobicContact CD2-CD1 4.5Å; D317-L321 WeakPolarHBondContact O-CB 3.42Å; D317-L321 VanDerWaalsContact O-CG 3.25Å; D317-L321 WeakPolarHBondContact O-CG 3.48Å; D317-L321 PolarHBondContact O-N 3.09Å; L321-R324 PolarHBondContact O-NH1 3.01Å; L321-R324 PolarHBondContact O-NH2 3.06Å
322	R	92.1	Very high	90.2	Very high	46 Å²	46	64.7 Å²	64.7	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-78.3	-40.2	177.7	-178.1	-174.8	-74.8	165.6	-9.9	112.6	D119 M150 H151 M318 W319 A320 R324	D119-R322 VanDerWaalsContact CG-NE 3.3Å; D119-R322 WeakPolarHBondContact OD1-CD 3.26Å; D119-R322 IonicContact OD1-CZ 2.71Å; D119-R322 IonicContact OD1-NE 3.39Å; D119-R322 PolarHBondContact OD1-NE 2.8Å; D119-R322 IonicContact OD1-NH2 3.17Å; D119-R322 PolarHBondContact OD1-NH2 2.82Å; D119-R322 IonicContact OD2-CZ 3.44Å; D119-R322 IonicContact OD2-NE 3.62Å; D119-R322 PolarHBondContact OD2-NE 3.07Å; D119-R322 IonicContact OD2-NH2 3.76Å; D119-R322 PolarHBondContact OD2-NH2 2.79Å; M150-R322 WeakPolarHBondContact O-CD 3.45Å; M150-R322 WeakPolarHBondContact O-CG 3.18Å; H151-R322 PolarHBondContact ND1-NH1 2.81Å; M318-R322 WeakPolarHBondContact O-CB 3.31Å; M318-R322 PolarHBondContact O-N 3.16Å; M318-R322 VanDerWaalsContact O-N 3.16Å; W319-R322 VanDerWaalsContact CH2-NH1 3.27Å; W319-R322 PolarHBondContact O-N 3.47Å; A320-R322 VanDerWaalsContact C-N 3.32Å; R322-R324 PolarHBondContact O-NH1 2.7Å; R322-R324 VanDerWaalsContact O-NH1 3.16Å
323	G	95.6	Very high	91.3	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	29%	0.294	C	S	.	.			trans	-58.5	135.4	-174.5	0	0	0	0	0	113.1	A149 W319	A149-G323 WeakPolarHBondContact O-CA 3.34Å; W319-G323 PolarHBondContact O-N 3.5Å
324	R	98.1	Very high	92.2	Very high	72 Å²	72	56.3 Å²	56.3	27%	0.272	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.2	173.6	-63.9	-69.6	170.8	-85.3	1.7	109.7	Q121 E122 F127 M148 A149 L321 R322 V326	Q121-R324 HydrophobicContact CB-CG 3.96Å; Q121-R324 HydrophobicContact CG-CG 4.17Å; E122-R324 IonicContact OE1-CZ 3.05Å; E122-R324 IonicContact OE1-NE 2.81Å; E122-R324 PolarHBondContact OE1-NE 3.21Å; E122-R324 IonicContact OE1-NH2 3.79Å; E122-R324 PolarHBondContact OE1-NH2 3.05Å; F127-R324 HydrophobicContact CE1-CB 4.42Å; F127-R324 HydrophobicContact CE2-CB 3.89Å; F127-R324 HydrophobicContact CE2-CG 4.01Å; F127-R324 HydrophobicContact CZ-CB 3.44Å; F127-R324 VanDerWaalsContact CZ-CB 3.44Å; F127-R324 HydrophobicContact CZ-CG 3.85Å; M148-R324 CarbonylContact C-O 3.44Å; M148-R324 WeakPolarHBondContact CA-O 3.41Å; A149-R324 PolarHBondContact N-O 3.11Å; A149-R324 PolarHBondContact O-N 2.96Å; L321-R324 PolarHBondContact O-NH1 3.01Å; L321-R324 PolarHBondContact O-NH2 3.06Å; R322-R324 PolarHBondContact O-NH1 2.7Å; R322-R324 VanDerWaalsContact O-NH1 3.16Å; R324-V326 PolarHBondContact O-N 2.65Å
325	L	98.4	Very high	92.7	Very high	75 Å²	75	57.4 Å²	57.4	39%	0.393	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.7	170.3	-178.7	68.2	0	0	0	108.7	M148 Q327 R330	M148-L325 VanDerWaalsContact SD-CA 3.57Å; M148-L325 HydrophobicContact SD-CB 3.87Å; M148-L325 HydrophobicContact SD-CD1 3.8Å; M148-L325 HydrophobicContact SD-CG 4.48Å; L325-Q327 WeakPolarHBondContact CD1-O 3.33Å; L325-R330 HydrophobicContact CB-CB 4.47Å; L325-R330 HydrophobicContact CD1-CB 4.21Å; L325-R330 HydrophobicContact CD2-CB 4.16Å
326	V	98.5	Very high	93.3	Very high	27 Å²	27	60.1 Å²	60.1	16%	0.164	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-18.7	179.2	-66	0	0	0	0	113.3	F127 C130 L136 I147 A149 Y278 R324	F127-V326 HydrophobicContact CE1-CG1 4.32Å; F127-V326 HydrophobicContact CE2-CG1 4.44Å; F127-V326 HydrophobicContact CZ-CG1 3.66Å; C130-V326 HydrophobicContact CB-CG1 4.35Å; L136-V326 HydrophobicContact CD2-CB 4.3Å; L136-V326 HydrophobicContact CD2-CG2 3.69Å; I147-V326 HydrophobicContact CB-CG2 3.91Å; I147-V326 HydrophobicContact CG2-CG2 3.62Å; I147-V326 VanDerWaalsContact O-CG2 3.26Å; I147-V326 WeakPolarHBondContact O-CG2 3.48Å; I147-V326 PolarHBondContact O-N 3.13Å; A149-V326 HydrophobicContact CB-CG1 3.77Å; A149-V326 HydrophobicContact CB-CG2 4.43Å; Y278-V326 HydrophobicContact CD1-CG2 4.24Å; Y278-V326 HydrophobicContact CE1-CG2 4.17Å; R324-V326 PolarHBondContact O-N 2.65Å
327	Q	98.3	Very high	93.7	Very high	59 Å²	59	57.2 Å²	57.2	28%	0.276	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	147.5	173.4	-169.6	173.4	-63.5	0	0	110.8	L136 E140 P145 I147 L325	L136-Q327 HydrophobicContact CD1-CB 4.41Å; E140-Q327 PolarHBondContact OE2-NE2 3.29Å; P145-Q327 CarbonylContact O-C 3.54Å; I147-Q327 HydrophobicContact CB-CB 4.01Å; I147-Q327 HydrophobicContact CD1-CB 3.97Å; I147-Q327 HydrophobicContact CD1-CG 4.44Å; I147-Q327 HydrophobicContact CG1-CB 4.01Å; I147-Q327 PolarHBondContact N-O 3.05Å; I147-Q327 PolarHBondContact O-N 3.19Å; L325-Q327 WeakPolarHBondContact CD1-O 3.33Å
328	G	97.8	Very high	94	Very high	47 Å²	47	56.9 Å²	56.9	49%	0.485	30%	0.3	S	S	.	.	S	Bend	trans	73.1	-137.9	176.1	0	0	0	0	0	112.7
329	E	95.9	Very high	94.5	Very high	135 Å²	135	58.3 Å²	58.3	63%	0.631	31%	0.308	S	S	*	.			trans	-117.3	147.8	-176.6	-63.1	-176.6	167.6	0	0	112.5	N146 T331	N146-E329 WeakPolarHBondContact CB-O 3.5Å; N146-E329 PolarHBondContact OD1-N 3.49Å; E329-T331 HydrophobicContact CB-CG2 4.27Å; E329-T331 PolarHBondContact O-N 3.15Å
330	R	94.1	Very high	94.6	Very high	122 Å²	122	61.7 Å²	61.7	46%	0.46	33%	0.327	S	S	.	.			trans	-87.9	95.4	170.8	-174.1	177.1	176.9	160.2	3	108.8	M148 A320 L325 L333	M148-R330 HydrophobicContact CE-CG 4.03Å; M148-R330 HydrophobicContact SD-CB 4.31Å; M148-R330 HydrophobicContact SD-CG 3.98Å; A320-R330 PolarHBondContact O-NH2 3.41Å; L325-R330 HydrophobicContact CB-CB 4.47Å; L325-R330 HydrophobicContact CD1-CB 4.21Å; L325-R330 HydrophobicContact CD2-CB 4.16Å; R330-L333 WeakPolarHBondContact CD-O 3.39Å; R330-L333 WeakPolarHBondContact CG-O 3.35Å; R330-L333 PolarHBondContact NE-O 3.08Å; R330-L333 PolarHBondContact NE-OXT 3.26Å; R330-L333 PolarHBondContact NH2-O 3.25Å; R330-L333 PolarHBondContact NH2-OXT 3.03Å
331	T	90.4	Very high	94.7	Very high	69 Å²	69	64.5 Å²	64.5	42%	0.423	34%	0.336	S	S	.	.	S	Bend	trans	-89.4	-49.9	-173.7	52.9	0	0	0	0	112.8	G281 D282 E329	G281-T331 PolarHBondContact O-OG1 2.93Å; D282-T331 WeakPolarHBondContact CA-OG1 3.25Å; D282-T331 PolarHBondContact N-OG1 2.78Å; D282-T331 WeakPolarHBondContact OD1-CB 3.38Å; D282-T331 WeakPolarHBondContact OD1-CG2 3.4Å; D282-T331 PolarHBondContact OD1-OG1 3.11Å; E329-T331 HydrophobicContact CB-CG2 4.27Å; E329-T331 PolarHBondContact O-N 3.15Å
332	S	92.3	Very high	95.1	Very high	65 Å²	65	59.9 Å²	59.9	46%	0.455	31%	0.312	S	S	.	.			trans	-131	-51	-175.6	167.2	0	0	0	0	114	G281 C283	G281-S332 PolarHBondContact O-N 3.01Å; C283-S332 WeakPolarHBondContact O-CB 3.34Å; C283-S332 PolarHBondContact O-OG 2.88Å
333	L	89.5	Confident	95.4	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.325	C	S	.	.			trans	-67.6	0	175.4	-74.4	-168.1	0	0	0	113.5	M148 M150 F179 A279 G281 C283 Y285 R330	M148-L333 HydrophobicContact CG-CB 4.17Å; M150-L333 HydrophobicContact CE-CD1 3.89Å; M150-L333 HydrophobicContact CG-CD1 4.47Å; M150-L333 HydrophobicContact SD-CD1 3.94Å; F179-L333 HydrophobicContact CB-CD1 4.44Å; F179-L333 HydrophobicContact CB-CD2 3.83Å; F179-L333 HydrophobicContact CD2-CD1 4.15Å; F179-L333 HydrophobicContact CG-CD1 4.31Å; F179-L333 HydrophobicContact CG-CD2 4.38Å; A279-L333 HydrophobicContact CB-CD1 3.63Å; G281-L333 PolarHBondContact O-N 3.08Å; C283-L333 HydrophobicContact CB-CD1 3.39Å; C283-L333 HydrophobicContact CB-CD2 4.11Å; C283-L333 HydrophobicContact CB-CG 3.57Å; C283-L333 WeakPolarHBondContact O-CG 3.36Å; C283-L333 PolarHBondContact O-N 2.96Å; Y285-L333 HydrophobicContact CD1-CD2 4.24Å; Y285-L333 HydrophobicContact CD2-CD2 4.08Å; Y285-L333 HydrophobicContact CE1-CD2 3.9Å; Y285-L333 HydrophobicContact CE2-CD2 3.74Å; Y285-L333 HydrophobicContact CG-CD2 4.31Å; Y285-L333 PolarHBondContact OH-OXT 2.94Å; R330-L333 WeakPolarHBondContact CD-O 3.39Å; R330-L333 WeakPolarHBondContact CG-O 3.35Å; R330-L333 PolarHBondContact NE-O 3.08Å; R330-L333 PolarHBondContact NE-OXT 3.26Å; R330-L333 PolarHBondContact NH2-O 3.25Å; R330-L333 PolarHBondContact NH2-OXT 3.03Å

Retrieved 333 of 333 residues in 181 ms (Link to these results)

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