A0A087X0D5_HUMAN Loading...

Cathepsin H

AlphaFold DB , UniProt , Accession A0A087X0D5, Species HUMAN (Homo sapiens, Human), Gene CTSH, Length 358 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	36.1	Very low	38.6	Very low	228 Å²	228	144.5 Å²	144.5	100%	1.123	84%	0.843	S	S	*	*				0	113.1	0	-90.6	171.6	-116.2	0	0	107.5
2	W	35.8	Very low	38.7	Very low	252 Å²	252	139.7 Å²	139.7	96%	0.955	83%	0.832	S	S	*	*			trans	49.9	133.2	146.1	-58.3	45.1	0	0	0	118.2
3	A	35.6	Very low	38.9	Very low	97 Å²	97	147.5 Å²	147.5	80%	0.802	84%	0.838	S	S	*	*			cis	-168.2	154.3	-8.9	0	0	0	0	0	105.8
4	T	37.5	Very low	39	Very low	126 Å²	126	148.8 Å²	148.8	77%	0.773	84%	0.84	S	S	*	*			trans	-81.9	152.2	-171.4	42.5	0	0	0	0	115.9
5	L	37.2	Very low	39.3	Very low	147 Å²	147	149.3 Å²	149.3	77%	0.77	84%	0.839	S	S	*	*			trans	77.8	133.9	146.9	-99.7	83.2	0	0	0	122.2
6	P	45.8	Very low	39.3	Very low	116 Å²	116	144.3 Å²	144.3	75%	0.753	83%	0.831	S	S	*	*			trans	-89.9	142.2	168.2	36.3	-28.5	0	0	0	110.9
7	L	38.1	Very low	39.9	Very low	159 Å²	159	142.9 Å²	142.9	83%	0.832	83%	0.825	S	S	*	*			trans	-120.6	116.4	166.6	-111.4	98.2	0	0	0	111
8	L	42.9	Very low	40.3	Very low	171 Å²	171	140.4 Å²	140.4	90%	0.895	82%	0.815	S	S	*	*			trans	-62.9	119.2	164.1	-76.2	136.6	0	0	0	109.8	A10	L8-A10 PolarHBondContact O-N 2.83Å
9	C	37.2	Very low	40.6	Very low	132 Å²	132	140.6 Å²	140.6	89%	0.892	82%	0.818	S	S	*	*			trans	-87.7	97.2	160	-86.1	0	0	0	0	108.8	G11	C9-G11 PolarHBondContact O-N 2.89Å
10	A	40.3	Very low	41.4	Very low	94 Å²	94	136.5 Å²	136.5	78%	0.777	80%	0.797	S	S	*	*			trans	-67.5	114.4	160.6	0	0	0	0	0	108.4	L8 A12	L8-A10 PolarHBondContact O-N 2.83Å; A10-A12 PolarHBondContact O-N 3.37Å
11	G	38.5	Very low	41.9	Very low	68 Å²	68	132.1 Å²	132.1	70%	0.701	78%	0.781	S	S	*	*			trans	-67.3	94.3	170.5	0	0	0	0	0	110	C9 W13	C9-G11 PolarHBondContact O-N 2.89Å; G11-W13 PolarHBondContact O-N 3.14Å; G11-W13 VanDerWaalsContact O-N 3.14Å
12	A	40	Very low	42.9	Very low	86 Å²	86	127 Å²	127	71%	0.711	78%	0.775	S	S	*	*			trans	-67.2	106.7	167.2	0	0	0	0	0	108.5	A10 L14	A10-A12 PolarHBondContact O-N 3.37Å; A12-L14 VanDerWaalsContact C-N 3.28Å; A12-L14 PolarHBondContact O-N 3.3Å
13	W	40.6	Very low	44.1	Very low	241 Å²	241	120.1 Å²	120.1	91%	0.913	77%	0.771	S	S	*	*			trans	-65.4	94	162	-78.4	62.8	0	0	0	107.4	G11 L15	G11-W13 PolarHBondContact O-N 3.14Å; G11-W13 VanDerWaalsContact O-N 3.14Å; W13-L15 VanDerWaalsContact C-N 3.28Å; W13-L15 PolarHBondContact O-N 3Å
14	L	40	Very low	46.2	Very low	166 Å²	166	121.5 Å²	121.5	87%	0.869	76%	0.761	S	S	*	*			trans	-63.6	96.5	163	-76.8	162.6	0	0	0	106.7	A12 G16	A12-L14 VanDerWaalsContact C-N 3.28Å; A12-L14 PolarHBondContact O-N 3.3Å; L14-G16 VanDerWaalsContact C-N 3.26Å; L14-G16 PolarHBondContact O-N 3.29Å
15	L	43.3	Very low	48.5	Very low	156 Å²	156	118.5 Å²	118.5	82%	0.817	74%	0.74	S	S	*	*			trans	-58	98.8	161.6	-72.5	169.9	0	0	0	106.2	W13 V17	W13-L15 VanDerWaalsContact C-N 3.28Å; W13-L15 PolarHBondContact O-N 3Å; L15-V17 PolarHBondContact O-N 3.4Å
16	G	40.1	Very low	51.1	Low	69 Å²	69	115 Å²	115	71%	0.711	73%	0.727	S	S	*	*			trans	-55.4	109.4	176.3	0	0	0	0	0	108.8	L14	L14-G16 VanDerWaalsContact C-N 3.26Å; L14-G16 PolarHBondContact O-N 3.29Å
17	V	49.4	Very low	53.5	Low	121 Å²	121	110 Å²	110	73%	0.733	69%	0.694	S	S	*	*			trans	-56.6	125.5	160.7	-176.7	0	0	0	0	105.2	L15 V19	L15-V17 PolarHBondContact O-N 3.4Å; V17-V19 PolarHBondContact O-N 3.2Å
18	P	47.7	Very low	56.3	Low	98 Å²	98	106 Å²	106	64%	0.636	67%	0.674	S	S	*	*			trans	-61.2	113.1	178.1	3.9	2.1	0	0	0	107.2	C20	P18-C20 VanDerWaalsContact C-N 3.27Å; P18-C20 PolarHBondContact O-N 2.91Å
19	V	45.9	Very low	58.8	Low	145 Å²	145	102.6 Å²	102.6	88%	0.879	67%	0.665	S	S	*	*			trans	-71.8	90.2	174.5	-178.6	0	0	0	0	106.4	V17	V17-V19 PolarHBondContact O-N 3.2Å
20	C	55.3	Low	61.6	Low	58 Å²	58	101.1 Å²	101.1	39%	0.392	65%	0.647	S	S	.	*			trans	-69.8	133	164.7	-71.5	0	0	0	0	108.2	P18 C26	P18-C20 VanDerWaalsContact C-N 3.27Å; P18-C20 PolarHBondContact O-N 2.91Å; C20-C26 HydrophobicContact CB-CB 4.32Å; C20-C26 VanDerWaalsContact SG-SG 3.64Å
21	G	52.4	Low	64.4	Low	45 Å²	45	96.9 Å²	96.9	46%	0.464	61%	0.611	S	S	.	*			trans	-60.9	150.8	174.9	0	0	0	0	0	111.4	A23 E24	G21-A23 PolarHBondContact O-N 3.04Å; G21-E24 PolarHBondContact O-N 3.43Å; G21-E24 VanDerWaalsContact O-N 3.11Å
22	A	56.7	Low	67.2	Low	121 Å²	121	98.1 Å²	98.1	100%	1	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-7.8	-172.5	0	0	0	0	0	115.9
23	A	62.3	Low	69.9	Low	106 Å²	106	100.4 Å²	100.4	88%	0.876	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-9.9	-179.5	0	0	0	0	0	114.8	G21	G21-A23 PolarHBondContact O-N 3.04Å
24	E	78.1	Confident	72.7	Confident	127 Å²	127	92.4 Å²	92.4	59%	0.593	56%	0.564	S	S	*	*	S	Bend	trans	-112.1	139.9	-175.7	-92.1	-176.6	154.2	0	0	112.7	G21 C26	G21-E24 PolarHBondContact O-N 3.43Å; G21-E24 VanDerWaalsContact O-N 3.11Å; E24-C26 PolarHBondContact O-N 3.25Å
25	L	87	Confident	75.5	Confident	63 Å²	63	84.5 Å²	84.5	33%	0.33	52%	0.523	S	S	.	.			trans	-70.1	131.2	175.3	-57.2	168.3	0	0	0	109.2	V27 Q56	L25-V27 PolarHBondContact O-N 2.95Å; L25-V27 VanDerWaalsContact O-N 3.09Å; L25-Q56 VanDerWaalsContact CB-OE1 3.27Å; L25-Q56 PolarHBondContact O-NE2 2.86Å; L25-Q56 PolarHBondContact O-OE1 3.45Å
26	C	92.4	Very high	78	Confident	73 Å²	73	83.1 Å²	83.1	49%	0.493	51%	0.51	S	S	.	.			trans	-72	101.2	165.9	-169.2	0	0	0	0	108.8	C20 E24 R63	C20-C26 HydrophobicContact CB-CB 4.32Å; C20-C26 VanDerWaalsContact SG-SG 3.64Å; E24-C26 PolarHBondContact O-N 3.25Å; C26-R63 PolarHBondContact O-NH2 3.05Å
27	V	95.6	Very high	80.8	Confident	11 Å²	11	82.5 Å²	82.5	7%	0.067	50%	0.495	C	S	.	.			trans	-83	122.6	-176.6	-172	0	0	0	0	110.7	L25 E31 K32 L55 A59	L25-V27 PolarHBondContact O-N 2.95Å; L25-V27 VanDerWaalsContact O-N 3.09Å; V27-E31 WeakPolarHBondContact CA-OE2 3.37Å; V27-E31 HydrophobicContact CG1-CB 3.58Å; V27-E31 WeakPolarHBondContact CG1-OE2 3.16Å; V27-K32 HydrophobicContact CG1-CG 3.96Å; V27-K32 VanDerWaalsContact O-CE 3.25Å; V27-K32 WeakPolarHBondContact O-CE 3.32Å; V27-L55 HydrophobicContact CG1-CD1 3.92Å; V27-L55 HydrophobicContact CG1-CD2 4.32Å; V27-L55 HydrophobicContact CG1-CG 4.08Å; V27-L55 HydrophobicContact CG2-CG 4.38Å; V27-A59 HydrophobicContact CB-CB 4.45Å; V27-A59 HydrophobicContact CG1-CB 3.83Å; V27-A59 HydrophobicContact CG2-CB 3.84Å
28	N	95.8	Very high	83.1	Confident	75 Å²	75	77.5 Å²	77.5	40%	0.401	46%	0.463	S	S	.	.			trans	-80.8	168.4	-176.3	71.4	51.9	0	0	0	112.8	L30 E31 K32	N28-L30 VanDerWaalsContact C-N 3.31Å; N28-L30 PolarHBondContact O-N 3.02Å; N28-L30 WeakPolarHBondContact OD1-CA 3.14Å; N28-L30 WeakPolarHBondContact OD1-CB 3.48Å; N28-L30 PolarHBondContact OD1-N 3.46Å; N28-E31 PolarHBondContact N-OE2 2.69Å; N28-E31 VanDerWaalsContact ND2-CD 3.26Å; N28-E31 PolarHBondContact ND2-OE2 3.27Å; N28-E31 PolarHBondContact O-N 2.94Å; N28-E31 WeakPolarHBondContact OD1-CG 3.16Å; N28-E31 PolarHBondContact OD1-N 2.91Å; N28-K32 WeakPolarHBondContact O-CG 3.36Å; N28-K32 PolarHBondContact O-N 3.23Å
29	S	96.4	Very high	85.6	Confident	100 Å²	100	74 Å²	74	70%	0.699	44%	0.438	S	S	*	.	H	α-helix	trans	-63.3	-33.2	-176.8	-58.6	0	0	0	0	113.7	F33	S29-F33 WeakPolarHBondContact O-CB 3.43Å; S29-F33 PolarHBondContact O-N 2.92Å
30	L	96.4	Very high	88	Confident	101 Å²	101	71.7 Å²	71.7	53%	0.529	43%	0.429	S	S	.	.	H	α-helix	trans	-67.3	-47.4	177.8	-177.7	65.9	0	0	0	110.6	N28 K32 F33 H34	N28-L30 VanDerWaalsContact C-N 3.31Å; N28-L30 PolarHBondContact O-N 3.02Å; N28-L30 WeakPolarHBondContact OD1-CA 3.14Å; N28-L30 WeakPolarHBondContact OD1-CB 3.48Å; N28-L30 PolarHBondContact OD1-N 3.46Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.1Å; L30-F33 PolarHBondContact O-N 3.19Å; L30-H34 PolarHBondContact O-CD2 3.45Å; L30-H34 VanDerWaalsContact O-CD2 3.31Å; L30-H34 PolarHBondContact O-N 2.74Å
31	E	97.8	Very high	89.9	Confident	4 Å²	4	75.9 Å²	75.9	2%	0.019	44%	0.44	C	S	.	.	H	α-helix	trans	-58.4	-45.2	175.6	-69.8	167.3	156.2	0	0	111.1	V27 N28 H34 F35 W62 R63	V27-E31 WeakPolarHBondContact CA-OE2 3.37Å; V27-E31 HydrophobicContact CG1-CB 3.58Å; V27-E31 WeakPolarHBondContact CG1-OE2 3.16Å; N28-E31 PolarHBondContact N-OE2 2.69Å; N28-E31 VanDerWaalsContact ND2-CD 3.26Å; N28-E31 PolarHBondContact ND2-OE2 3.27Å; N28-E31 PolarHBondContact O-N 2.94Å; N28-E31 WeakPolarHBondContact OD1-CG 3.16Å; N28-E31 PolarHBondContact OD1-N 2.91Å; E31-H34 PolarHBondContact O-N 2.88Å; E31-F35 WeakPolarHBondContact O-CB 3.46Å; E31-F35 PolarHBondContact O-N 3.09Å; E31-W62 HydrophobicContact CG-CG 4.34Å; E31-R63 IonicContact OE1-CZ 3.79Å; E31-R63 IonicContact OE1-NE 3.42Å; E31-R63 PolarHBondContact OE1-NE 2.94Å; E31-R63 IonicContact OE1-NH2 3.94Å; E31-R63 PolarHBondContact OE1-NH2 3.34Å; E31-R63 IonicContact OE2-CZ 3.71Å; E31-R63 IonicContact OE2-NE 3.48Å; E31-R63 IonicContact OE2-NH2 3.82Å; E31-R63 PolarHBondContact OE2-NH2 2.84Å
32	K	97.6	Very high	92	Very high	95 Å²	95	76.3 Å²	76.3	41%	0.413	43%	0.43	S	S	.	.	H	α-helix	trans	-61.1	-45	175.8	-73.1	173.8	-177.9	174.3	0	112.5	V27 N28 L30 F35 K36 L55	V27-K32 HydrophobicContact CG1-CG 3.96Å; V27-K32 VanDerWaalsContact O-CE 3.25Å; V27-K32 WeakPolarHBondContact O-CE 3.32Å; N28-K32 WeakPolarHBondContact O-CG 3.36Å; N28-K32 PolarHBondContact O-N 3.23Å; L30-K32 VanDerWaalsContact C-N 3.34Å; L30-K32 PolarHBondContact O-N 3.1Å; K32-F35 PolarHBondContact O-N 2.84Å; K32-K36 WeakPolarHBondContact O-CG 3.39Å; K32-K36 PolarHBondContact O-N 2.82Å; K32-K36 VanDerWaalsContact O-N 3.1Å; K32-L55 HydrophobicContact CG-CD1 4.26Å; K32-L55 HydrophobicContact CG-CD2 3.95Å
33	F	97.9	Very high	93.9	Very high	134 Å²	134	81.4 Å²	81.4	59%	0.588	42%	0.424	S	S	*	.	H	α-helix	trans	-63.1	-49.2	179.4	-179.4	-94.9	0	0	0	111.1	S29 L30 F35 K36 S37	S29-F33 WeakPolarHBondContact O-CB 3.43Å; S29-F33 PolarHBondContact O-N 2.92Å; L30-F33 PolarHBondContact O-N 3.19Å; F33-F35 VanDerWaalsContact C-N 3.32Å; F33-F35 PolarHBondContact O-N 3.23Å; F33-K36 PolarHBondContact O-N 3.46Å; F33-S37 PolarHBondContact O-N 3.16Å; F33-S37 VanDerWaalsContact O-N 3.08Å; F33-S37 PolarHBondContact O-OG 2.75Å
34	H	98	Very high	95.5	Very high	72 Å²	72	79.8 Å²	79.8	33%	0.333	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-37.2	177.3	-85.2	-83.4	0	0	0	112.7	L30 E31 S37 W38 F58 W62	L30-H34 PolarHBondContact O-CD2 3.45Å; L30-H34 VanDerWaalsContact O-CD2 3.31Å; L30-H34 PolarHBondContact O-N 2.74Å; E31-H34 PolarHBondContact O-N 2.88Å; H34-S37 PolarHBondContact O-N 3.45Å; H34-W38 VanDerWaalsContact O-CB 3.26Å; H34-W38 WeakPolarHBondContact O-CB 3.16Å; H34-W38 PolarHBondContact O-N 2.76Å; H34-F58 HydrophobicContact CB-CE1 4.35Å; H34-F58 HydrophobicContact CB-CZ 4.45Å; H34-W62 HydrophobicContact CB-CE3 4.24Å; H34-W62 HydrophobicContact CB-CH2 3.9Å; H34-W62 HydrophobicContact CB-CZ3 3.48Å; H34-W62 VanDerWaalsContact CB-CZ3 3.48Å; H34-W62 AromaticContact CD2-CH2 3.46Å; H34-W62 VanDerWaalsContact CD2-CH2 3.46Å; H34-W62 WeakPolarHBondContact CD2-CH2 3.5Å; H34-W62 AromaticContact CE1-CH2 3.81Å; H34-W62 AromaticContact CG-CH2 3.38Å; H34-W62 AromaticContact CG-CZ3 3.45Å; H34-W62 VanDerWaalsContact CG-CZ3 3.45Å; H34-W62 AromaticContact ND1-CH2 3.61Å; H34-W62 AromaticContact ND1-CZ3 3.72Å; H34-W62 AromaticContact NE2-CH2 3.74Å
35	F	98.6	Very high	96.4	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-62.7	-42.4	175.4	-176.6	-123.1	0	0	0	111.9	E31 K32 F33 W38 M39 Y46 Y51 R54 L55 F58 D84	E31-F35 WeakPolarHBondContact O-CB 3.46Å; E31-F35 PolarHBondContact O-N 3.09Å; K32-F35 PolarHBondContact O-N 2.84Å; F33-F35 VanDerWaalsContact C-N 3.32Å; F33-F35 PolarHBondContact O-N 3.23Å; F35-W38 HydrophobicContact CD2-CE3 4.15Å; F35-W38 AromaticContact CE2-CE3 3.91Å; F35-W38 HydrophobicContact CE2-CE3 3.91Å; F35-W38 HydrophobicContact CE2-CZ3 4.14Å; F35-W38 PolarHBondContact O-N 3.15Å; F35-M39 HydrophobicContact CD1-CG 4.45Å; F35-M39 HydrophobicContact CD1-SD 3.92Å; F35-M39 HydrophobicContact CD2-CG 4.34Å; F35-M39 HydrophobicContact CE1-CG 4.11Å; F35-M39 HydrophobicContact CE1-SD 3.43Å; F35-M39 WeakPolarHBondContact CE1-SD 3.29Å; F35-M39 HydrophobicContact CE2-CG 3.96Å; F35-M39 HydrophobicContact CE2-SD 4.35Å; F35-M39 HydrophobicContact CZ-CG 3.83Å; F35-M39 HydrophobicContact CZ-SD 3.66Å; F35-M39 WeakPolarHBondContact O-CG 3.29Å; F35-M39 PolarHBondContact O-N 2.9Å; F35-Y46 HydrophobicContact CZ-CD2 4.35Å; F35-Y46 HydrophobicContact CZ-CE2 4.1Å; F35-Y51 AromaticContact CD1-CE2 3.86Å; F35-Y51 HydrophobicContact CD1-CE2 3.86Å; F35-Y51 AromaticContact CD1-CZ 3.91Å; F35-Y51 AromaticContact CE1-CD2 3.9Å; F35-Y51 HydrophobicContact CE1-CD2 3.9Å; F35-Y51 AromaticContact CE1-CE2 3.59Å; F35-Y51 HydrophobicContact CE1-CE2 3.59Å; F35-Y51 AromaticContact CE1-CZ 3.98Å; F35-R54 HydrophobicContact CE1-CB 4.4Å; F35-R54 HydrophobicContact CE2-CB 4.41Å; F35-R54 HydrophobicContact CZ-CB 3.63Å; F35-L55 HydrophobicContact CB-CD1 3.68Å; F35-L55 HydrophobicContact CD1-CB 3.85Å; F35-L55 HydrophobicContact CD1-CD1 3.52Å; F35-L55 HydrophobicContact CD1-CG 4.24Å; F35-L55 HydrophobicContact CE1-CB 3.81Å; F35-L55 HydrophobicContact CE1-CD1 4.35Å; F35-L55 HydrophobicContact CG-CD1 3.74Å; F35-F58 HydrophobicContact CB-CD1 3.7Å; F35-F58 HydrophobicContact CB-CE1 3.82Å; F35-F58 HydrophobicContact CB-CG 4.23Å; F35-F58 HydrophobicContact CB-CZ 4.43Å; F35-F58 HydrophobicContact CD2-CB 3.58Å; F35-F58 AromaticContact CD2-CD1 3.78Å; F35-F58 HydrophobicContact CD2-CD1 3.78Å; F35-F58 AromaticContact CD2-CD2 3.62Å; F35-F58 HydrophobicContact CD2-CD2 3.62Å; F35-F58 HydrophobicContact CD2-CE1 4.33Å; F35-F58 HydrophobicContact CD2-CE2 4.18Å; F35-F58 AromaticContact CD2-CG 3.37Å; F35-F58 HydrophobicContact CD2-CG 3.37Å; F35-F58 HydrophobicContact CE2-CB 3.87Å; F35-F58 HydrophobicContact CE2-CD2 4.21Å; F35-F58 HydrophobicContact CE2-CG 4.09Å; F35-F58 HydrophobicContact CG-CB 4.33Å; F35-F58 HydrophobicContact CG-CD1 4.08Å; F35-F58 HydrophobicContact CG-CG 4.12Å; F35-D84 HydrophobicContact CE2-CB 3.93Å
36	K	97.8	Very high	96.9	Very high	127 Å²	127	79.1 Å²	79.1	55%	0.552	40%	0.399	S	S	*	.	H	α-helix	trans	-60.4	-47.3	174.9	-71.9	-178.5	179.1	-174.7	0	111.9	K32 F33 W38 M39 S40	K32-K36 WeakPolarHBondContact O-CG 3.39Å; K32-K36 PolarHBondContact O-N 2.82Å; K32-K36 VanDerWaalsContact O-N 3.1Å; F33-K36 PolarHBondContact O-N 3.46Å; K36-W38 VanDerWaalsContact C-N 3.31Å; K36-W38 PolarHBondContact O-N 3.1Å; K36-M39 PolarHBondContact O-N 2.81Å; K36-S40 PolarHBondContact O-N 2.93Å; K36-S40 VanDerWaalsContact O-N 3.1Å; K36-S40 PolarHBondContact O-OG 2.86Å
37	S	98.1	Very high	97.1	Very high	57 Å²	57	78.9 Å²	78.9	40%	0.399	40%	0.399	S	S	.	.	H	α-helix	trans	-61.2	-40.7	176	-58.5	0	0	0	0	112.2	F33 H34 S40 K41	F33-S37 PolarHBondContact O-N 3.16Å; F33-S37 VanDerWaalsContact O-N 3.08Å; F33-S37 PolarHBondContact O-OG 2.75Å; H34-S37 PolarHBondContact O-N 3.45Å; S37-S40 PolarHBondContact O-N 2.74Å; S37-K41 WeakPolarHBondContact O-CB 3.44Å; S37-K41 PolarHBondContact O-N 2.83Å
38	W	98.4	Very high	97.1	Very high	15 Å²	15	83.9 Å²	83.9	6%	0.057	43%	0.429	C	S	.	.	H	α-helix	trans	-62.7	-45.2	176.5	-179.9	95.6	0	0	0	111.4	H34 F35 K36 S40 K41 H42 K44 F58 N80 D84	H34-W38 VanDerWaalsContact O-CB 3.26Å; H34-W38 WeakPolarHBondContact O-CB 3.16Å; H34-W38 PolarHBondContact O-N 2.76Å; F35-W38 HydrophobicContact CD2-CE3 4.15Å; F35-W38 AromaticContact CE2-CE3 3.91Å; F35-W38 HydrophobicContact CE2-CE3 3.91Å; F35-W38 HydrophobicContact CE2-CZ3 4.14Å; F35-W38 PolarHBondContact O-N 3.15Å; K36-W38 VanDerWaalsContact C-N 3.31Å; K36-W38 PolarHBondContact O-N 3.1Å; W38-S40 PolarHBondContact O-N 2.68Å; W38-K41 PolarHBondContact O-N 2.89Å; W38-K41 VanDerWaalsContact O-N 3.17Å; W38-H42 AromaticContact CD1-CD2 3.45Å; W38-H42 VanDerWaalsContact CD1-CD2 3.45Å; W38-H42 AromaticContact CD1-NE2 3.65Å; W38-H42 AromaticContact CD2-CD2 3.7Å; W38-H42 AromaticContact CE2-CD2 3.31Å; W38-H42 AromaticContact CE2-CG 3.86Å; W38-H42 AromaticContact CE2-NE2 3.85Å; W38-H42 AromaticContact CG-CD2 3.76Å; W38-H42 HydrophobicContact CH2-CB 4.29Å; W38-H42 HydrophobicContact CZ2-CB 4.22Å; W38-H42 AromaticContact CZ2-CD2 3.85Å; W38-H42 AromaticContact CZ2-CG 3.93Å; W38-H42 AromaticContact NE1-CD2 3.19Å; W38-H42 PolarHBondContact NE1-CD2 3.38Å; W38-H42 AromaticContact NE1-NE2 3.29Å; W38-H42 PolarHBondContact NE1-NE2 2.8Å; W38-H42 WeakPolarHBondContact O-CB 3.38Å; W38-H42 PolarHBondContact O-CD2 3.21Å; W38-H42 VanDerWaalsContact O-CD2 3.29Å; W38-H42 PolarHBondContact O-N 3.29Å; W38-K44 HydrophobicContact CH2-CG 4.01Å; W38-K44 HydrophobicContact CZ3-CB 4.49Å; W38-K44 HydrophobicContact CZ3-CG 3.71Å; W38-F58 HydrophobicContact CB-CE2 3.93Å; W38-F58 HydrophobicContact CB-CZ 4.18Å; W38-F58 AromaticContact CD1-CE2 3.83Å; W38-F58 HydrophobicContact CD2-CD2 4.38Å; W38-F58 HydrophobicContact CD2-CE2 4.06Å; W38-F58 HydrophobicContact CG-CD2 4.42Å; W38-F58 AromaticContact CG-CE2 3.65Å; W38-F58 HydrophobicContact CG-CE2 3.65Å; W38-F58 HydrophobicContact CG-CZ 4.36Å; W38-N80 PolarHBondContact NE1-O 3.23Å; W38-D84 HydrophobicContact CH2-CB 3.82Å; W38-D84 WeakPolarHBondContact CH2-OD1 3.47Å; W38-D84 VanDerWaalsContact CH2-OD2 3.28Å; W38-D84 WeakPolarHBondContact CH2-OD2 3.49Å; W38-D84 HydrophobicContact CZ3-CB 3.83Å; W38-D84 VanDerWaalsContact CZ3-CG 3.44Å; W38-D84 WeakPolarHBondContact CZ3-OD2 3.29Å
39	M	98.3	Very high	96.9	Very high	24 Å²	24	88.2 Å²	88.2	12%	0.118	45%	0.447	C	S	.	.	H	α-helix	trans	-58.3	-46.2	176.2	-74.7	179.2	63.5	0	0	111.8	F35 K36 K41 H42 R43 K44 Y46 Y51	F35-M39 HydrophobicContact CD1-CG 4.45Å; F35-M39 HydrophobicContact CD1-SD 3.92Å; F35-M39 HydrophobicContact CD2-CG 4.34Å; F35-M39 HydrophobicContact CE1-CG 4.11Å; F35-M39 HydrophobicContact CE1-SD 3.43Å; F35-M39 WeakPolarHBondContact CE1-SD 3.29Å; F35-M39 HydrophobicContact CE2-CG 3.96Å; F35-M39 HydrophobicContact CE2-SD 4.35Å; F35-M39 HydrophobicContact CZ-CG 3.83Å; F35-M39 HydrophobicContact CZ-SD 3.66Å; F35-M39 WeakPolarHBondContact O-CG 3.29Å; F35-M39 PolarHBondContact O-N 2.9Å; K36-M39 PolarHBondContact O-N 2.81Å; M39-K41 PolarHBondContact O-N 3.35Å; M39-H42 CarbonylContact O-C 3.55Å; M39-H42 PolarHBondContact O-N 3.13Å; M39-R43 WeakPolarHBondContact O-CA 3.35Å; M39-R43 PolarHBondContact O-N 2.81Å; M39-K44 HydrophobicContact CB-CB 4.17Å; M39-K44 HydrophobicContact CE-CB 4.49Å; M39-K44 HydrophobicContact CG-CB 4.19Å; M39-K44 PolarHBondContact O-N 2.53Å; M39-Y46 HydrophobicContact CE-CD2 3.5Å; M39-Y46 HydrophobicContact CE-CE2 4.03Å; M39-Y46 HydrophobicContact CE-CG 4.33Å; M39-Y46 HydrophobicContact CG-CE2 4.27Å; M39-Y46 HydrophobicContact SD-CD2 4.03Å; M39-Y46 HydrophobicContact SD-CE2 4.29Å; M39-Y51 HydrophobicContact CE-CD2 4.04Å; M39-Y51 HydrophobicContact CE-CE2 4.24Å; M39-Y51 HydrophobicContact SD-CD2 3.72Å; M39-Y51 HydrophobicContact SD-CE2 3.46Å; M39-Y51 WeakPolarHBondContact SD-CE2 3.43Å
40	S	97.1	Very high	96.9	Very high	97 Å²	97	87 Å²	87	68%	0.678	43%	0.43	S	S	*	.	H	α-helix	trans	-61.4	-43.6	176.3	-59.6	0	0	0	0	111.7	K36 S37 W38 H42 R43	K36-S40 PolarHBondContact O-N 2.93Å; K36-S40 VanDerWaalsContact O-N 3.1Å; K36-S40 PolarHBondContact O-OG 2.86Å; S37-S40 PolarHBondContact O-N 2.74Å; W38-S40 PolarHBondContact O-N 2.68Å; S40-H42 PolarHBondContact O-N 3.43Å; S40-R43 PolarHBondContact O-N 3.42Å
41	K	95.8	Very high	96.9	Very high	147 Å²	147	84.5 Å²	84.5	64%	0.639	41%	0.414	S	S	*	.	H	α-helix	trans	-63.3	-40.4	179	179.8	60.1	178.8	-176.9	0	112.6	S37 W38 M39	S37-K41 WeakPolarHBondContact O-CB 3.44Å; S37-K41 PolarHBondContact O-N 2.83Å; W38-K41 PolarHBondContact O-N 2.89Å; W38-K41 VanDerWaalsContact O-N 3.17Å; M39-K41 PolarHBondContact O-N 3.35Å
42	H	95.4	Very high	96.8	Very high	54 Å²	54	89.6 Å²	89.6	25%	0.25	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.3	-178.5	-69.8	-82.3	0	0	0	113.6	W38 M39 S40 K44	W38-H42 AromaticContact CD1-CD2 3.45Å; W38-H42 VanDerWaalsContact CD1-CD2 3.45Å; W38-H42 AromaticContact CD1-NE2 3.65Å; W38-H42 AromaticContact CD2-CD2 3.7Å; W38-H42 AromaticContact CE2-CD2 3.31Å; W38-H42 AromaticContact CE2-CG 3.86Å; W38-H42 AromaticContact CE2-NE2 3.85Å; W38-H42 AromaticContact CG-CD2 3.76Å; W38-H42 HydrophobicContact CH2-CB 4.29Å; W38-H42 HydrophobicContact CZ2-CB 4.22Å; W38-H42 AromaticContact CZ2-CD2 3.85Å; W38-H42 AromaticContact CZ2-CG 3.93Å; W38-H42 AromaticContact NE1-CD2 3.19Å; W38-H42 PolarHBondContact NE1-CD2 3.38Å; W38-H42 AromaticContact NE1-NE2 3.29Å; W38-H42 PolarHBondContact NE1-NE2 2.8Å; W38-H42 WeakPolarHBondContact O-CB 3.38Å; W38-H42 PolarHBondContact O-CD2 3.21Å; W38-H42 VanDerWaalsContact O-CD2 3.29Å; W38-H42 PolarHBondContact O-N 3.29Å; M39-H42 CarbonylContact O-C 3.55Å; M39-H42 PolarHBondContact O-N 3.13Å; S40-H42 PolarHBondContact O-N 3.43Å; H42-K44 VanDerWaalsContact C-N 3.32Å; H42-K44 HydrophobicContact CB-CG 4.03Å; H42-K44 PolarHBondContact O-N 3.04Å
43	R	97.1	Very high	96.8	Very high	228 Å²	228	90.4 Å²	90.4	86%	0.86	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	46.2	177.7	-55.9	179.5	-177.7	176.8	-0.7	112.7	M39 S40	M39-R43 WeakPolarHBondContact O-CA 3.35Å; M39-R43 PolarHBondContact O-N 2.81Å; S40-R43 PolarHBondContact O-N 3.42Å
44	K	96.6	Very high	96.8	Very high	71 Å²	71	85.2 Å²	85.2	31%	0.309	42%	0.419	S	S	.	.			trans	-95.4	139.6	-179.5	-60.6	-60.7	-163	158.4	0	111.6	W38 M39 H42 Y46	W38-K44 HydrophobicContact CH2-CG 4.01Å; W38-K44 HydrophobicContact CZ3-CB 4.49Å; W38-K44 HydrophobicContact CZ3-CG 3.71Å; M39-K44 HydrophobicContact CB-CB 4.17Å; M39-K44 HydrophobicContact CE-CB 4.49Å; M39-K44 HydrophobicContact CG-CB 4.19Å; M39-K44 PolarHBondContact O-N 2.53Å; H42-K44 VanDerWaalsContact C-N 3.32Å; H42-K44 HydrophobicContact CB-CG 4.03Å; H42-K44 PolarHBondContact O-N 3.04Å; K44-Y46 HydrophobicContact CB-CE2 3.85Å; K44-Y46 VanDerWaalsContact CD-OH 3.3Å; K44-Y46 WeakPolarHBondContact CD-OH 3.25Å; K44-Y46 HydrophobicContact CG-CE2 4.46Å; K44-Y46 WeakPolarHBondContact CG-OH 3.47Å
45	T	96.5	Very high	96.8	Very high	130 Å²	130	82.2 Å²	82.2	80%	0.798	41%	0.406	S	S	*	.			trans	-133.5	129.7	173.5	52	0	0	0	0	108.4
46	Y	96.9	Very high	96.8	Very high	46 Å²	46	84.2 Å²	84.2	18%	0.18	42%	0.415	C	S	.	.			trans	-129.9	149.7	-176.5	-61.7	-48.5	0	0	0	110.6	F35 M39 K44 E50 R54 D84	F35-Y46 HydrophobicContact CZ-CD2 4.35Å; F35-Y46 HydrophobicContact CZ-CE2 4.1Å; M39-Y46 HydrophobicContact CE-CD2 3.5Å; M39-Y46 HydrophobicContact CE-CE2 4.03Å; M39-Y46 HydrophobicContact CE-CG 4.33Å; M39-Y46 HydrophobicContact CG-CE2 4.27Å; M39-Y46 HydrophobicContact SD-CD2 4.03Å; M39-Y46 HydrophobicContact SD-CE2 4.29Å; K44-Y46 HydrophobicContact CB-CE2 3.85Å; K44-Y46 VanDerWaalsContact CD-OH 3.3Å; K44-Y46 WeakPolarHBondContact CD-OH 3.25Å; K44-Y46 HydrophobicContact CG-CE2 4.46Å; K44-Y46 WeakPolarHBondContact CG-OH 3.47Å; Y46-E50 VanDerWaalsContact CD1-CD 3.45Å; Y46-E50 HydrophobicContact CD1-CG 3.83Å; Y46-E50 HydrophobicContact CG-CG 4.18Å; Y46-R54 HydrophobicContact CD1-CG 4.26Å; Y46-R54 HydrophobicContact CD2-CB 4.12Å; Y46-R54 HydrophobicContact CD2-CG 3.95Å; Y46-R54 HydrophobicContact CE1-CG 4.14Å; Y46-R54 HydrophobicContact CE2-CB 3.97Å; Y46-R54 HydrophobicContact CE2-CG 3.79Å; Y46-R54 HydrophobicContact CG-CG 4.21Å; Y46-D84 VanDerWaalsContact CZ-OD2 3.29Å; Y46-D84 PolarHBondContact OH-OD2 2.8Å
47	S	97.3	Very high	96.8	Very high	69 Å²	69	79.2 Å²	79.2	48%	0.483	40%	0.395	S	S	.	.			trans	-63.8	161.8	163.5	70.4	0	0	0	0	109.7	E49 E50 Y51	S47-E49 PolarHBondContact O-N 2.81Å; S47-E50 PolarHBondContact O-N 3.25Å; S47-E50 WeakPolarHBondContact OG-CB 3.3Å; S47-E50 PolarHBondContact OG-N 2.76Å; S47-Y51 VanDerWaalsContact O-CB 3.27Å; S47-Y51 WeakPolarHBondContact O-CB 3.28Å; S47-Y51 PolarHBondContact O-N 3.28Å
48	T	94.2	Very high	96.8	Very high	115 Å²	115	76.5 Å²	76.5	71%	0.706	38%	0.376	S	S	*	.	H	α-helix	trans	-56.9	-37.7	179.1	-53.7	0	0	0	0	112.3	H52	T48-H52 PolarHBondContact O-N 2.92Å; T48-H52 PolarHBondContact O-ND1 2.84Å
49	E	93	Very high	96.8	Very high	166 Å²	166	75.8 Å²	75.8	78%	0.776	37%	0.374	S	S	*	.	H	α-helix	trans	-69.6	-50.5	178	-172.8	177.5	-173.3	0	0	111.5	S47 Y51 H52 H53	S47-E49 PolarHBondContact O-N 2.81Å; E49-Y51 VanDerWaalsContact C-N 3.28Å; E49-Y51 PolarHBondContact O-N 3.17Å; E49-H52 PolarHBondContact O-N 2.86Å; E49-H53 PolarHBondContact O-N 2.84Å
50	E	95.9	Very high	96.8	Very high	74 Å²	74	76.5 Å²	76.5	35%	0.346	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-36.1	178.2	-178	173.8	-169.1	0	0	111.4	Y46 S47 H52 H53 R54	Y46-E50 VanDerWaalsContact CD1-CD 3.45Å; Y46-E50 HydrophobicContact CD1-CG 3.83Å; Y46-E50 HydrophobicContact CG-CG 4.18Å; S47-E50 PolarHBondContact O-N 3.25Å; S47-E50 WeakPolarHBondContact OG-CB 3.3Å; S47-E50 PolarHBondContact OG-N 2.76Å; E50-H52 VanDerWaalsContact C-N 3.29Å; E50-H52 PolarHBondContact O-N 2.66Å; E50-H53 PolarHBondContact O-N 3.16Å; E50-R54 HydrophobicContact CG-CG 3.71Å; E50-R54 WeakPolarHBondContact O-CB 3.46Å; E50-R54 WeakPolarHBondContact O-CG 3.15Å; E50-R54 PolarHBondContact O-N 3.47Å; E50-R54 IonicContact OE1-CZ 2.88Å; E50-R54 IonicContact OE1-NE 3.7Å; E50-R54 PolarHBondContact OE1-NE 3.18Å; E50-R54 IonicContact OE1-NH2 2.88Å; E50-R54 PolarHBondContact OE1-NH2 3.11Å; E50-R54 VanDerWaalsContact OE1-NH2 3.16Å
51	Y	97.4	Very high	96.9	Very high	49 Å²	49	72.1 Å²	72.1	19%	0.192	35%	0.35	C	S	.	.	H	α-helix	trans	-55.2	-44.1	177	178.2	-87.2	0	0	0	111.9	F35 M39 S47 E49 R54 L55	F35-Y51 AromaticContact CD1-CE2 3.86Å; F35-Y51 HydrophobicContact CD1-CE2 3.86Å; F35-Y51 AromaticContact CD1-CZ 3.91Å; F35-Y51 AromaticContact CE1-CD2 3.9Å; F35-Y51 HydrophobicContact CE1-CD2 3.9Å; F35-Y51 AromaticContact CE1-CE2 3.59Å; F35-Y51 HydrophobicContact CE1-CE2 3.59Å; F35-Y51 AromaticContact CE1-CZ 3.98Å; M39-Y51 HydrophobicContact CE-CD2 4.04Å; M39-Y51 HydrophobicContact CE-CE2 4.24Å; M39-Y51 HydrophobicContact SD-CD2 3.72Å; M39-Y51 HydrophobicContact SD-CE2 3.46Å; M39-Y51 WeakPolarHBondContact SD-CE2 3.43Å; S47-Y51 VanDerWaalsContact O-CB 3.27Å; S47-Y51 WeakPolarHBondContact O-CB 3.28Å; S47-Y51 PolarHBondContact O-N 3.28Å; E49-Y51 VanDerWaalsContact C-N 3.28Å; E49-Y51 PolarHBondContact O-N 3.17Å; Y51-R54 PolarHBondContact O-N 3.05Å; Y51-L55 HydrophobicContact CE1-CB 4.46Å; Y51-L55 HydrophobicContact CE1-CD2 4.04Å; Y51-L55 VanDerWaalsContact O-CB 3.23Å; Y51-L55 WeakPolarHBondContact O-CB 3.21Å; Y51-L55 PolarHBondContact O-N 3.01Å
52	H	95.4	Very high	97	Very high	111 Å²	111	67 Å²	67	51%	0.514	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-46.7	178.7	-78.7	85.3	0	0	0	111.2	T48 E49 E50 R54 L55 Q56	T48-H52 PolarHBondContact O-N 2.92Å; T48-H52 PolarHBondContact O-ND1 2.84Å; E49-H52 PolarHBondContact O-N 2.86Å; E50-H52 VanDerWaalsContact C-N 3.29Å; E50-H52 PolarHBondContact O-N 2.66Å; H52-R54 PolarHBondContact O-N 2.94Å; H52-L55 PolarHBondContact O-N 3.2Å; H52-Q56 WeakPolarHBondContact O-CG 3.36Å; H52-Q56 PolarHBondContact O-N 2.9Å
53	H	96.4	Very high	97.1	Very high	113 Å²	113	68.5 Å²	68.5	52%	0.523	33%	0.33	S	S	.	.	H	α-helix	trans	-63.2	-42.2	178	-179.3	-89.6	0	0	0	112.8	E49 E50 Q56 T57	E49-H53 PolarHBondContact O-N 2.84Å; E50-H53 PolarHBondContact O-N 3.16Å; H53-Q56 PolarHBondContact O-N 3.5Å; H53-T57 PolarHBondContact O-N 2.95Å; H53-T57 PolarHBondContact O-OG1 2.9Å; H53-T57 VanDerWaalsContact O-OG1 3.12Å
54	R	98.1	Very high	97.2	Very high	24 Å²	24	61.9 Å²	61.9	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-41.3	177.2	-65.9	-72.1	177.5	-165.8	0.1	111.7	F35 Y46 E50 Y51 H52 T57 F58 D84 E89	F35-R54 HydrophobicContact CE1-CB 4.4Å; F35-R54 HydrophobicContact CE2-CB 4.41Å; F35-R54 HydrophobicContact CZ-CB 3.63Å; Y46-R54 HydrophobicContact CD1-CG 4.26Å; Y46-R54 HydrophobicContact CD2-CB 4.12Å; Y46-R54 HydrophobicContact CD2-CG 3.95Å; Y46-R54 HydrophobicContact CE1-CG 4.14Å; Y46-R54 HydrophobicContact CE2-CB 3.97Å; Y46-R54 HydrophobicContact CE2-CG 3.79Å; Y46-R54 HydrophobicContact CG-CG 4.21Å; E50-R54 HydrophobicContact CG-CG 3.71Å; E50-R54 WeakPolarHBondContact O-CB 3.46Å; E50-R54 WeakPolarHBondContact O-CG 3.15Å; E50-R54 PolarHBondContact O-N 3.47Å; E50-R54 IonicContact OE1-CZ 2.88Å; E50-R54 IonicContact OE1-NE 3.7Å; E50-R54 PolarHBondContact OE1-NE 3.18Å; E50-R54 IonicContact OE1-NH2 2.88Å; E50-R54 PolarHBondContact OE1-NH2 3.11Å; E50-R54 VanDerWaalsContact OE1-NH2 3.16Å; Y51-R54 PolarHBondContact O-N 3.05Å; H52-R54 PolarHBondContact O-N 2.94Å; R54-T57 PolarHBondContact O-N 2.95Å; R54-F58 WeakPolarHBondContact O-CB 2.99Å; R54-F58 PolarHBondContact O-N 3.48Å; R54-D84 HydrophobicContact CB-CB 4.45Å; R54-D84 WeakPolarHBondContact CD-O 3.46Å; R54-D84 PolarHBondContact NH1-O 3.36Å; R54-E89 IonicContact CZ-OE1 3.85Å; R54-E89 IonicContact CZ-OE2 2.78Å; R54-E89 IonicContact NH1-OE1 3.47Å; R54-E89 IonicContact NH1-OE2 3.5Å; R54-E89 PolarHBondContact NH1-OE2 2.95Å; R54-E89 IonicContact NH2-OE1 3.89Å; R54-E89 PolarHBondContact NH2-OE1 3.29Å; R54-E89 IonicContact NH2-OE2 3.17Å; R54-E89 PolarHBondContact NH2-OE2 3.42Å
55	L	98.1	Very high	97.3	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-42.8	175.3	176	63.3	0	0	0	111.6	V27 K32 F35 Y51 H52 F58 A59	V27-L55 HydrophobicContact CG1-CD1 3.92Å; V27-L55 HydrophobicContact CG1-CD2 4.32Å; V27-L55 HydrophobicContact CG1-CG 4.08Å; V27-L55 HydrophobicContact CG2-CG 4.38Å; K32-L55 HydrophobicContact CG-CD1 4.26Å; K32-L55 HydrophobicContact CG-CD2 3.95Å; F35-L55 HydrophobicContact CB-CD1 3.68Å; F35-L55 HydrophobicContact CD1-CB 3.85Å; F35-L55 HydrophobicContact CD1-CD1 3.52Å; F35-L55 HydrophobicContact CD1-CG 4.24Å; F35-L55 HydrophobicContact CE1-CB 3.81Å; F35-L55 HydrophobicContact CE1-CD1 4.35Å; F35-L55 HydrophobicContact CG-CD1 3.74Å; Y51-L55 HydrophobicContact CE1-CB 4.46Å; Y51-L55 HydrophobicContact CE1-CD2 4.04Å; Y51-L55 VanDerWaalsContact O-CB 3.23Å; Y51-L55 WeakPolarHBondContact O-CB 3.21Å; Y51-L55 PolarHBondContact O-N 3.01Å; H52-L55 PolarHBondContact O-N 3.2Å; L55-F58 PolarHBondContact O-N 3.19Å; L55-A59 WeakPolarHBondContact O-CB 3.43Å; L55-A59 PolarHBondContact O-N 3.03Å
56	Q	97.9	Very high	97.4	Very high	42 Å²	42	55.8 Å²	55.8	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-46.4	175.7	-73.6	-66.7	-20	0	0	111.4	L25 H52 H53 A59 S60	L25-Q56 VanDerWaalsContact CB-OE1 3.27Å; L25-Q56 PolarHBondContact O-NE2 2.86Å; L25-Q56 PolarHBondContact O-OE1 3.45Å; H52-Q56 WeakPolarHBondContact O-CG 3.36Å; H52-Q56 PolarHBondContact O-N 2.9Å; H53-Q56 PolarHBondContact O-N 3.5Å; Q56-A59 PolarHBondContact O-N 3.43Å; Q56-S60 WeakPolarHBondContact O-CB 3.45Å; Q56-S60 PolarHBondContact O-N 3.44Å
57	T	98.3	Very high	97.5	Very high	22 Å²	22	56.8 Å²	56.8	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-63	-45.3	177.4	-59.9	0	0	0	0	111.5	H53 R54 S60 N61 M85	H53-T57 PolarHBondContact O-N 2.95Å; H53-T57 PolarHBondContact O-OG1 2.9Å; H53-T57 VanDerWaalsContact O-OG1 3.12Å; R54-T57 PolarHBondContact O-N 2.95Å; T57-S60 WeakPolarHBondContact O-CB 3.45Å; T57-S60 PolarHBondContact O-N 2.54Å; T57-N61 PolarHBondContact O-N 2.86Å; T57-N61 PolarHBondContact O-ND2 3.32Å; T57-M85 VanDerWaalsContact CG2-C 3.42Å; T57-M85 WeakPolarHBondContact CG2-O 3.41Å
58	F	98.6	Very high	97.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-46.3	176.8	-178.9	-90	0	0	0	112.4	H34 F35 W38 R54 L55 S60 N61 W62 L79 S83 D84	H34-F58 HydrophobicContact CB-CE1 4.35Å; H34-F58 HydrophobicContact CB-CZ 4.45Å; F35-F58 HydrophobicContact CB-CD1 3.7Å; F35-F58 HydrophobicContact CB-CE1 3.82Å; F35-F58 HydrophobicContact CB-CG 4.23Å; F35-F58 HydrophobicContact CB-CZ 4.43Å; F35-F58 HydrophobicContact CD2-CB 3.58Å; F35-F58 AromaticContact CD2-CD1 3.78Å; F35-F58 HydrophobicContact CD2-CD1 3.78Å; F35-F58 AromaticContact CD2-CD2 3.62Å; F35-F58 HydrophobicContact CD2-CD2 3.62Å; F35-F58 HydrophobicContact CD2-CE1 4.33Å; F35-F58 HydrophobicContact CD2-CE2 4.18Å; F35-F58 AromaticContact CD2-CG 3.37Å; F35-F58 HydrophobicContact CD2-CG 3.37Å; F35-F58 HydrophobicContact CE2-CB 3.87Å; F35-F58 HydrophobicContact CE2-CD2 4.21Å; F35-F58 HydrophobicContact CE2-CG 4.09Å; F35-F58 HydrophobicContact CG-CB 4.33Å; F35-F58 HydrophobicContact CG-CD1 4.08Å; F35-F58 HydrophobicContact CG-CG 4.12Å; W38-F58 HydrophobicContact CB-CE2 3.93Å; W38-F58 HydrophobicContact CB-CZ 4.18Å; W38-F58 AromaticContact CD1-CE2 3.83Å; W38-F58 HydrophobicContact CD2-CD2 4.38Å; W38-F58 HydrophobicContact CD2-CE2 4.06Å; W38-F58 HydrophobicContact CG-CD2 4.42Å; W38-F58 AromaticContact CG-CE2 3.65Å; W38-F58 HydrophobicContact CG-CE2 3.65Å; W38-F58 HydrophobicContact CG-CZ 4.36Å; R54-F58 WeakPolarHBondContact O-CB 2.99Å; R54-F58 PolarHBondContact O-N 3.48Å; L55-F58 PolarHBondContact O-N 3.19Å; F58-S60 VanDerWaalsContact C-N 3.35Å; F58-S60 PolarHBondContact O-N 3.47Å; F58-N61 PolarHBondContact O-N 3.07Å; F58-W62 AromaticContact CE1-CE3 3.81Å; F58-W62 HydrophobicContact CE1-CE3 3.81Å; F58-W62 HydrophobicContact CE1-CZ3 4.46Å; F58-W62 AromaticContact CZ-CE3 3.98Å; F58-W62 HydrophobicContact CZ-CE3 3.98Å; F58-W62 HydrophobicContact CZ-CZ3 4.4Å; F58-W62 VanDerWaalsContact O-CB 3.32Å; F58-W62 WeakPolarHBondContact O-CB 3.49Å; F58-W62 PolarHBondContact O-N 2.87Å; F58-L79 HydrophobicContact CD2-CD2 4.44Å; F58-L79 HydrophobicContact CE2-CD1 3.89Å; F58-L79 HydrophobicContact CE2-CD2 3.75Å; F58-L79 HydrophobicContact CE2-CG 4.4Å; F58-L79 HydrophobicContact CZ-CD1 3.53Å; F58-L79 HydrophobicContact CZ-CD2 3.93Å; F58-L79 HydrophobicContact CZ-CG 4.38Å; F58-S83 WeakPolarHBondContact CA-O 3.27Å; F58-D84 HydrophobicContact CB-CB 4.41Å
59	A	98.4	Very high	97.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-40.5	177.8	0	0	0	0	0	111.7	V27 L55 Q56 W62 R63	V27-A59 HydrophobicContact CB-CB 4.45Å; V27-A59 HydrophobicContact CG1-CB 3.83Å; V27-A59 HydrophobicContact CG2-CB 3.84Å; L55-A59 WeakPolarHBondContact O-CB 3.43Å; L55-A59 PolarHBondContact O-N 3.03Å; Q56-A59 PolarHBondContact O-N 3.43Å; A59-W62 WeakPolarHBondContact O-CB 3.43Å; A59-W62 PolarHBondContact O-N 2.98Å; A59-R63 WeakPolarHBondContact O-CG 3.35Å; A59-R63 PolarHBondContact O-N 2.9Å
60	S	98.4	Very high	98	Very high	39 Å²	39	50.1 Å²	50.1	27%	0.273	25%	0.25	S	S	.	.	H	α-helix	trans	-58.7	-48.4	173.4	-174.3	0	0	0	0	111.6	Q56 T57 F58 R63 K64	Q56-S60 WeakPolarHBondContact O-CB 3.45Å; Q56-S60 PolarHBondContact O-N 3.44Å; T57-S60 WeakPolarHBondContact O-CB 3.45Å; T57-S60 PolarHBondContact O-N 2.54Å; F58-S60 VanDerWaalsContact C-N 3.35Å; F58-S60 PolarHBondContact O-N 3.47Å; S60-R63 PolarHBondContact O-N 3.44Å; S60-K64 WeakPolarHBondContact O-CG 3.16Å; S60-K64 PolarHBondContact O-N 2.96Å
61	N	98.5	Very high	98	Very high	5 Å²	5	48 Å²	48	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-40.3	177.6	-72.9	-29.8	0	0	0	112.2	T57 F58 R63 K64 I65 S83 M85 M284	T57-N61 PolarHBondContact O-N 2.86Å; T57-N61 PolarHBondContact O-ND2 3.32Å; F58-N61 PolarHBondContact O-N 3.07Å; N61-R63 VanDerWaalsContact C-N 3.34Å; N61-R63 PolarHBondContact O-N 3.01Å; N61-K64 PolarHBondContact O-N 2.66Å; N61-I65 WeakPolarHBondContact O-CB 3.35Å; N61-I65 WeakPolarHBondContact O-CD1 3.32Å; N61-I65 WeakPolarHBondContact O-CG1 3.17Å; N61-I65 PolarHBondContact O-N 3.33Å; N61-S83 PolarHBondContact ND2-O 3.22Å; N61-M85 PolarHBondContact ND2-O 2.78Å; N61-M284 HydrophobicContact CB-CE 4.02Å; N61-M284 WeakPolarHBondContact ND2-CE 3.45Å
62	W	98.4	Very high	98	Very high	39 Å²	39	53.3 Å²	53.3	15%	0.148	28%	0.28	C	S	.	.	H	α-helix	trans	-55	-48.3	174.1	178.3	-80.2	0	0	0	111.6	E31 H34 F58 A59 I65 N66 L79	E31-W62 HydrophobicContact CG-CG 4.34Å; H34-W62 HydrophobicContact CB-CE3 4.24Å; H34-W62 HydrophobicContact CB-CH2 3.9Å; H34-W62 HydrophobicContact CB-CZ3 3.48Å; H34-W62 VanDerWaalsContact CB-CZ3 3.48Å; H34-W62 AromaticContact CD2-CH2 3.46Å; H34-W62 VanDerWaalsContact CD2-CH2 3.46Å; H34-W62 WeakPolarHBondContact CD2-CH2 3.5Å; H34-W62 AromaticContact CE1-CH2 3.81Å; H34-W62 AromaticContact CG-CH2 3.38Å; H34-W62 AromaticContact CG-CZ3 3.45Å; H34-W62 VanDerWaalsContact CG-CZ3 3.45Å; H34-W62 AromaticContact ND1-CH2 3.61Å; H34-W62 AromaticContact ND1-CZ3 3.72Å; H34-W62 AromaticContact NE2-CH2 3.74Å; F58-W62 AromaticContact CE1-CE3 3.81Å; F58-W62 HydrophobicContact CE1-CE3 3.81Å; F58-W62 HydrophobicContact CE1-CZ3 4.46Å; F58-W62 AromaticContact CZ-CE3 3.98Å; F58-W62 HydrophobicContact CZ-CE3 3.98Å; F58-W62 HydrophobicContact CZ-CZ3 4.4Å; F58-W62 VanDerWaalsContact O-CB 3.32Å; F58-W62 WeakPolarHBondContact O-CB 3.49Å; F58-W62 PolarHBondContact O-N 2.87Å; A59-W62 WeakPolarHBondContact O-CB 3.43Å; A59-W62 PolarHBondContact O-N 2.98Å; W62-I65 PolarHBondContact O-N 3.43Å; W62-N66 PolarHBondContact NE1-ND2 3.26Å; W62-N66 PolarHBondContact O-N 3.01Å; W62-N66 PolarHBondContact O-ND2 3.18Å; W62-L79 HydrophobicContact CE3-CD1 3.64Å; W62-L79 HydrophobicContact CE3-CD2 4.21Å; W62-L79 HydrophobicContact CE3-CG 4.27Å; W62-L79 HydrophobicContact CZ3-CD1 3.52Å; W62-L79 HydrophobicContact CZ3-CG 4.47Å
63	R	98.4	Very high	98.1	Very high	86 Å²	86	52.2 Å²	52.2	33%	0.325	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-42.7	178.1	-68.5	173.9	-169.4	-173.6	4.6	112	C26 E31 A59 S60 N61 I65 N66 A67	C26-R63 PolarHBondContact O-NH2 3.05Å; E31-R63 IonicContact OE1-CZ 3.79Å; E31-R63 IonicContact OE1-NE 3.42Å; E31-R63 PolarHBondContact OE1-NE 2.94Å; E31-R63 IonicContact OE1-NH2 3.94Å; E31-R63 PolarHBondContact OE1-NH2 3.34Å; E31-R63 IonicContact OE2-CZ 3.71Å; E31-R63 IonicContact OE2-NE 3.48Å; E31-R63 IonicContact OE2-NH2 3.82Å; E31-R63 PolarHBondContact OE2-NH2 2.84Å; A59-R63 WeakPolarHBondContact O-CG 3.35Å; A59-R63 PolarHBondContact O-N 2.9Å; S60-R63 PolarHBondContact O-N 3.44Å; N61-R63 VanDerWaalsContact C-N 3.34Å; N61-R63 PolarHBondContact O-N 3.01Å; R63-I65 PolarHBondContact O-N 2.77Å; R63-N66 PolarHBondContact O-N 2.82Å; R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 3.01Å
64	K	98.3	Very high	98.2	Very high	89 Å²	89	49.7 Å²	49.7	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-59.6	-45.3	175.3	-73.1	176	-179.4	-177.6	0	112	S60 N61 A67 H68	S60-K64 WeakPolarHBondContact O-CG 3.16Å; S60-K64 PolarHBondContact O-N 2.96Å; N61-K64 PolarHBondContact O-N 2.66Å; K64-A67 PolarHBondContact O-N 3.36Å; K64-H68 WeakPolarHBondContact O-CB 3.05Å; K64-H68 PolarHBondContact O-N 2.98Å
65	I	98.6	Very high	98.2	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-47.7	177.6	-71	161.5	0	0	0	110.5	N61 W62 R63 H68 N69 M77 L79 M284	N61-I65 WeakPolarHBondContact O-CB 3.35Å; N61-I65 WeakPolarHBondContact O-CD1 3.32Å; N61-I65 WeakPolarHBondContact O-CG1 3.17Å; N61-I65 PolarHBondContact O-N 3.33Å; W62-I65 PolarHBondContact O-N 3.43Å; R63-I65 PolarHBondContact O-N 2.77Å; I65-H68 PolarHBondContact O-N 2.81Å; I65-N69 VanDerWaalsContact O-CB 3.28Å; I65-N69 WeakPolarHBondContact O-CB 3.39Å; I65-N69 PolarHBondContact O-N 3.31Å; I65-N69 PolarHBondContact O-ND2 3.33Å; I65-M77 HydrophobicContact CB-CB 4.35Å; I65-M77 HydrophobicContact CG1-CB 3.97Å; I65-M77 HydrophobicContact CG1-CE 4.14Å; I65-M77 HydrophobicContact CG2-CB 4.06Å; I65-L79 HydrophobicContact CD1-CD2 3.76Å; I65-L79 HydrophobicContact CD1-CG 4.42Å; I65-M284 HydrophobicContact CD1-CB 4.38Å; I65-M284 HydrophobicContact CD1-CG 4.32Å; I65-M284 HydrophobicContact CD1-SD 4.27Å; I65-M284 HydrophobicContact CG1-CB 4.24Å; I65-M284 HydrophobicContact CG1-CG 4.38Å
66	N	98.3	Very high	98.2	Very high	64 Å²	64	52.1 Å²	52.1	34%	0.342	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-42.4	179.7	-71.8	-26.6	0	0	0	112.2	W62 R63 H68 N69 N70	W62-N66 PolarHBondContact NE1-ND2 3.26Å; W62-N66 PolarHBondContact O-N 3.01Å; W62-N66 PolarHBondContact O-ND2 3.18Å; R63-N66 PolarHBondContact O-N 2.82Å; N66-H68 PolarHBondContact O-N 2.89Å; N66-N69 PolarHBondContact O-N 2.8Å; N66-N70 VanDerWaalsContact O-CB 3.3Å; N66-N70 WeakPolarHBondContact O-CB 3.35Å; N66-N70 PolarHBondContact O-N 3.46Å; N66-N70 PolarHBondContact O-ND2 3.04Å
67	A	98.4	Very high	98.3	Very high	67 Å²	67	50.8 Å²	50.8	55%	0.554	27%	0.272	S	S	*	.	H	α-helix	trans	-59.4	-47.4	176.4	0	0	0	0	0	111.5	R63 K64 N70 G71	R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 3.01Å; K64-A67 PolarHBondContact O-N 3.36Å; A67-N70 PolarHBondContact O-N 2.9Å; A67-G71 PolarHBondContact O-N 3.44Å
68	H	98.4	Very high	98.3	Very high	28 Å²	28	51 Å²	51	13%	0.13	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-48	174.2	-179.6	92.1	0	0	0	111.6	K64 I65 N66 N70 G71 H73 F75 M77	K64-H68 WeakPolarHBondContact O-CB 3.05Å; K64-H68 PolarHBondContact O-N 2.98Å; I65-H68 PolarHBondContact O-N 2.81Å; N66-H68 PolarHBondContact O-N 2.89Å; H68-N70 VanDerWaalsContact C-N 3.3Å; H68-N70 PolarHBondContact O-N 2.98Å; H68-G71 PolarHBondContact O-N 3.31Å; H68-G71 VanDerWaalsContact O-N 3.07Å; H68-H73 AromaticContact CE1-CD2 3.78Å; H68-H73 AromaticContact CE1-CG 3.46Å; H68-H73 VanDerWaalsContact CE1-CG 3.46Å; H68-H73 AromaticContact CE1-ND1 3.78Å; H68-H73 AromaticContact ND1-CD2 3.87Å; H68-H73 AromaticContact ND1-CG 3.95Å; H68-H73 AromaticContact ND1-NE2 3.99Å; H68-H73 AromaticContact NE2-CG 3.8Å; H68-H73 PolarHBondContact O-CD2 3Å; H68-F75 AromaticContact CE1-CE1 3.48Å; H68-F75 VanDerWaalsContact CE1-CE1 3.48Å; H68-F75 WeakPolarHBondContact CE1-CE1 3.47Å; H68-F75 AromaticContact CE1-CE2 3.72Å; H68-F75 AromaticContact CE1-CZ 3.26Å; H68-F75 WeakPolarHBondContact CE1-CZ 3.15Å; H68-F75 AromaticContact NE2-CD2 3.85Å; H68-F75 AromaticContact NE2-CE1 3.87Å; H68-F75 AromaticContact NE2-CE2 3.6Å; H68-F75 AromaticContact NE2-CZ 3.62Å; H68-F75 PolarHBondContact NE2-O 3.48Å; H68-M77 HydrophobicContact CB-SD 3.51Å; H68-M77 VanDerWaalsContact CB-SD 3.51Å
69	N	98.6	Very high	98.3	Very high	39 Å²	39	53.8 Å²	53.8	21%	0.209	29%	0.291	C	S	.	.	H	α-helix	trans	-69.5	-26.9	-176.1	-73.1	-17.5	0	0	0	113.6	I65 N66 G71 K76 M77	I65-N69 VanDerWaalsContact O-CB 3.28Å; I65-N69 WeakPolarHBondContact O-CB 3.39Å; I65-N69 PolarHBondContact O-N 3.31Å; I65-N69 PolarHBondContact O-ND2 3.33Å; N66-N69 PolarHBondContact O-N 2.8Å; N69-G71 VanDerWaalsContact C-N 3.31Å; N69-K76 HydrophobicContact CB-CD 4.19Å; N69-K76 PolarHBondContact O-NZ 3.22Å; N69-K76 WeakPolarHBondContact OD1-CA 3.45Å; N69-K76 WeakPolarHBondContact OD1-CB 3.33Å; N69-K76 WeakPolarHBondContact OD1-CD 3.21Å; N69-M77 PolarHBondContact ND2-O 3.2Å; N69-M77 PolarHBondContact OD1-N 2.94Å
70	N	98.3	Very high	98.3	Very high	144 Å²	144	54.4 Å²	54.4	77%	0.77	29%	0.294	S	S	*	.	H	α-helix	trans	-78.1	-17.9	173.1	-69.3	-15.3	0	0	0	112.5	N66 A67 H68	N66-N70 VanDerWaalsContact O-CB 3.3Å; N66-N70 WeakPolarHBondContact O-CB 3.35Å; N66-N70 PolarHBondContact O-N 3.46Å; N66-N70 PolarHBondContact O-ND2 3.04Å; A67-N70 PolarHBondContact O-N 2.9Å; H68-N70 VanDerWaalsContact C-N 3.3Å; H68-N70 PolarHBondContact O-N 2.98Å
71	G	96.8	Very high	98.3	Very high	29 Å²	29	54.5 Å²	54.5	30%	0.299	29%	0.29	S	S	.	.	S	Bend	trans	-78.6	173.7	170.7	0	0	0	0	0	113.6	A67 H68 N69 K76	A67-G71 PolarHBondContact O-N 3.44Å; H68-G71 PolarHBondContact O-N 3.31Å; H68-G71 VanDerWaalsContact O-N 3.07Å; N69-G71 VanDerWaalsContact C-N 3.31Å; G71-K76 PolarHBondContact O-NZ 3.01Å
72	N	96.7	Very high	98.3	Very high	161 Å²	161	54.4 Å²	54.4	86%	0.861	29%	0.289	S	S	*	.			trans	-95.7	101.5	175	-170.7	14.8	0	0	0	110.5
73	H	97.8	Very high	98.3	Very high	88 Å²	88	52.5 Å²	52.5	41%	0.407	28%	0.282	S	S	.	.			trans	-137.5	155	-179.2	-56.9	-84.8	0	0	0	110.7	H68 F75	H68-H73 AromaticContact CE1-CD2 3.78Å; H68-H73 AromaticContact CE1-CG 3.46Å; H68-H73 VanDerWaalsContact CE1-CG 3.46Å; H68-H73 AromaticContact CE1-ND1 3.78Å; H68-H73 AromaticContact ND1-CD2 3.87Å; H68-H73 AromaticContact ND1-CG 3.95Å; H68-H73 AromaticContact ND1-NE2 3.99Å; H68-H73 AromaticContact NE2-CG 3.8Å; H68-H73 PolarHBondContact O-CD2 3Å; H73-F75 PolarHBondContact O-N 2.55Å
74	T	98.2	Very high	98.3	Very high	60 Å²	60	48.4 Å²	48.4	37%	0.368	27%	0.267	S	S	.	.	S	Bend	trans	-74.3	-11.7	179	52.2	0	0	0	0	113.6	G288 I289 I317	T74-G288 CarbonylContact O-C 3.14Å; T74-G288 WeakPolarHBondContact O-CA 3.05Å; T74-I289 CarbonylContact C-O 3.57Å; T74-I289 WeakPolarHBondContact CB-O 3.42Å; T74-I289 PolarHBondContact O-N 3.02Å; T74-I289 PolarHBondContact OG1-O 3.16Å; T74-I317 HydrophobicContact CG2-CD1 3.54Å
75	F	98.8	Very high	98.3	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159.5	175.6	77.7	-80.8	0	0	0	111.9	H68 H73 M77 Y285 T287 Y290	H68-F75 AromaticContact CE1-CE1 3.48Å; H68-F75 VanDerWaalsContact CE1-CE1 3.48Å; H68-F75 WeakPolarHBondContact CE1-CE1 3.47Å; H68-F75 AromaticContact CE1-CE2 3.72Å; H68-F75 AromaticContact CE1-CZ 3.26Å; H68-F75 WeakPolarHBondContact CE1-CZ 3.15Å; H68-F75 AromaticContact NE2-CD2 3.85Å; H68-F75 AromaticContact NE2-CE1 3.87Å; H68-F75 AromaticContact NE2-CE2 3.6Å; H68-F75 AromaticContact NE2-CZ 3.62Å; H68-F75 PolarHBondContact NE2-O 3.48Å; H73-F75 PolarHBondContact O-N 2.55Å; F75-M77 HydrophobicContact CD2-CG 4.35Å; F75-M77 HydrophobicContact CE2-CG 3.74Å; F75-M77 HydrophobicContact CE2-SD 4.44Å; F75-Y285 HydrophobicContact CB-CD2 4.3Å; F75-Y285 HydrophobicContact CB-CE2 4.09Å; F75-Y285 AromaticContact CD2-CD2 3.9Å; F75-Y285 HydrophobicContact CD2-CD2 3.9Å; F75-Y285 HydrophobicContact CG-CD2 4.39Å; F75-T287 CarbonylContact C-O 3.45Å; F75-T287 VanDerWaalsContact CA-O 3.27Å; F75-T287 WeakPolarHBondContact CA-O 3.4Å; F75-T287 WeakPolarHBondContact CB-O 3.09Å; F75-Y290 HydrophobicContact CD1-CD2 4.18Å; F75-Y290 HydrophobicContact CD2-CD2 4.17Å; F75-Y290 AromaticContact CE1-CD2 3.89Å; F75-Y290 HydrophobicContact CE1-CD2 3.89Å; F75-Y290 HydrophobicContact CE1-CE2 4.28Å; F75-Y290 AromaticContact CE2-CD2 3.88Å; F75-Y290 HydrophobicContact CE2-CD2 3.88Å; F75-Y290 HydrophobicContact CE2-CE2 4.28Å; F75-Y290 HydrophobicContact CG-CD2 4.31Å; F75-Y290 AromaticContact CZ-CD2 3.73Å; F75-Y290 HydrophobicContact CZ-CD2 3.73Å; F75-Y290 AromaticContact CZ-CE2 3.9Å; F75-Y290 HydrophobicContact CZ-CE2 3.9Å
76	K	98.8	Very high	98.3	Very high	77 Å²	77	46.2 Å²	46.2	34%	0.335	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	152.3	174.3	-62.1	-63.7	-179.5	-174.5	0	110.4	N69 G71 R286 T287	N69-K76 HydrophobicContact CB-CD 4.19Å; N69-K76 PolarHBondContact O-NZ 3.22Å; N69-K76 WeakPolarHBondContact OD1-CA 3.45Å; N69-K76 WeakPolarHBondContact OD1-CB 3.33Å; N69-K76 WeakPolarHBondContact OD1-CD 3.21Å; G71-K76 PolarHBondContact O-NZ 3.01Å; K76-R286 WeakPolarHBondContact O-CB 3.09Å; K76-R286 PolarHBondContact O-N 2.85Å; K76-T287 HydrophobicContact CB-CG2 4.17Å; K76-T287 PolarHBondContact N-O 3.08Å; K76-T287 PolarHBondContact O-N 2.84Å
77	M	98.8	Very high	98.3	Very high	15 Å²	15	45.8 Å²	45.8	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	160.6	175.4	-63.2	163.5	76.4	0	0	110.6	I65 H68 N69 F75 D281 M284	I65-M77 HydrophobicContact CB-CB 4.35Å; I65-M77 HydrophobicContact CG1-CB 3.97Å; I65-M77 HydrophobicContact CG1-CE 4.14Å; I65-M77 HydrophobicContact CG2-CB 4.06Å; H68-M77 HydrophobicContact CB-SD 3.51Å; H68-M77 VanDerWaalsContact CB-SD 3.51Å; N69-M77 PolarHBondContact ND2-O 3.2Å; N69-M77 PolarHBondContact OD1-N 2.94Å; F75-M77 HydrophobicContact CD2-CG 4.35Å; F75-M77 HydrophobicContact CE2-CG 3.74Å; F75-M77 HydrophobicContact CE2-SD 4.44Å; M77-D281 HydrophobicContact CE-CB 4.46Å; M77-M284 CarbonylContact C-O 2.98Å; M77-M284 WeakPolarHBondContact CA-O 3.41Å; M77-M284 HydrophobicContact CB-CB 4.08Å; M77-M284 WeakPolarHBondContact CB-O 3.5Å; M77-M284 HydrophobicContact CE-CB 3.46Å; M77-M284 VanDerWaalsContact CE-CB 3.46Å; M77-M284 HydrophobicContact CE-CG 3.89Å; M77-M284 HydrophobicContact CG-CB 4.24Å
78	A	98.8	Very high	98.3	Very high	26 Å²	26	46.1 Å²	46.1	22%	0.215	26%	0.261	C	S	.	.			trans	-152.4	165.1	172	0	0	0	0	0	111.3	M284 R286	A78-M284 PolarHBondContact N-O 3.25Å; A78-R286 HydrophobicContact CB-CB 3.63Å; A78-R286 HydrophobicContact CB-CG 3.69Å
79	L	98.7	Very high	98.3	Very high	59 Å²	59	46.5 Å²	46.5	31%	0.309	26%	0.263	S	S	.	.			trans	-64	143.7	167.4	-60.8	176.7	0	0	0	110.8	F58 W62 I65 S83	F58-L79 HydrophobicContact CD2-CD2 4.44Å; F58-L79 HydrophobicContact CE2-CD1 3.89Å; F58-L79 HydrophobicContact CE2-CD2 3.75Å; F58-L79 HydrophobicContact CE2-CG 4.4Å; F58-L79 HydrophobicContact CZ-CD1 3.53Å; F58-L79 HydrophobicContact CZ-CD2 3.93Å; F58-L79 HydrophobicContact CZ-CG 4.38Å; W62-L79 HydrophobicContact CE3-CD1 3.64Å; W62-L79 HydrophobicContact CE3-CD2 4.21Å; W62-L79 HydrophobicContact CE3-CG 4.27Å; W62-L79 HydrophobicContact CZ3-CD1 3.52Å; W62-L79 HydrophobicContact CZ3-CG 4.47Å; I65-L79 HydrophobicContact CD1-CD2 3.76Å; I65-L79 HydrophobicContact CD1-CG 4.42Å; L79-S83 VanDerWaalsContact CA-OG 3.24Å; L79-S83 WeakPolarHBondContact CA-OG 3.11Å
80	N	98.6	Very high	98.2	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.07	25%	0.253	C	S	.	.			trans	-154.2	-166.4	178	64.3	31.6	0	0	0	109.8	W38 F82 S83 M283	W38-N80 PolarHBondContact NE1-O 3.23Å; N80-F82 PolarHBondContact O-N 3.33Å; N80-F82 VanDerWaalsContact O-N 3.1Å; N80-F82 WeakPolarHBondContact OD1-CB 3.4Å; N80-F82 WeakPolarHBondContact OD1-CD2 3.39Å; N80-F82 PolarHBondContact OD1-N 3.36Å; N80-S83 PolarHBondContact N-OG 3.34Å; N80-S83 WeakPolarHBondContact O-CB 3.39Å; N80-S83 PolarHBondContact O-N 2.93Å; N80-S83 PolarHBondContact O-OG 3.01Å; N80-S83 VanDerWaalsContact O-OG 3.09Å; N80-M283 PolarHBondContact ND2-O 3.38Å
81	Q	98.4	Very high	98.2	Very high	41 Å²	41	43 Å²	43	19%	0.192	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13	-177.5	70.4	-90.3	38.3	0	0	115	W326	Q81-W326 PolarHBondContact NE2-O 3.14Å
82	F	98.6	Very high	98.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.1	-178.7	-52.3	-65.8	0	0	0	112.9	N80 D84 M85 I90 Y94 M283 W326 W330	N80-F82 PolarHBondContact O-N 3.33Å; N80-F82 VanDerWaalsContact O-N 3.1Å; N80-F82 WeakPolarHBondContact OD1-CB 3.4Å; N80-F82 WeakPolarHBondContact OD1-CD2 3.39Å; N80-F82 PolarHBondContact OD1-N 3.36Å; F82-D84 VanDerWaalsContact C-N 3.25Å; F82-D84 PolarHBondContact O-N 2.78Å; F82-D84 VanDerWaalsContact O-N 3.16Å; F82-M85 HydrophobicContact CD1-SD 4.22Å; F82-M85 WeakPolarHBondContact O-CB 3.49Å; F82-M85 PolarHBondContact O-N 3.48Å; F82-I90 HydrophobicContact CB-CD1 3.93Å; F82-I90 HydrophobicContact CD1-CG1 4.49Å; F82-Y94 HydrophobicContact CD1-CD2 4.49Å; F82-Y94 HydrophobicContact CD1-CE2 4.21Å; F82-Y94 AromaticContact CE1-CD1 3.91Å; F82-Y94 HydrophobicContact CE1-CD1 3.91Å; F82-Y94 HydrophobicContact CE1-CD2 4.07Å; F82-Y94 AromaticContact CE1-CE1 3.77Å; F82-Y94 HydrophobicContact CE1-CE1 3.77Å; F82-Y94 AromaticContact CE1-CE2 3.91Å; F82-Y94 HydrophobicContact CE1-CE2 3.91Å; F82-Y94 HydrophobicContact CE1-CG 4.07Å; F82-Y94 AromaticContact CE1-CZ 3.77Å; F82-Y94 HydrophobicContact CZ-CD1 4.47Å; F82-M283 HydrophobicContact CB-CE 4.43Å; F82-M283 HydrophobicContact CD1-CE 3.97Å; F82-M283 HydrophobicContact CD2-CE 3.54Å; F82-M283 HydrophobicContact CE1-CE 4.04Å; F82-M283 HydrophobicContact CE2-CE 3.62Å; F82-M283 HydrophobicContact CG-CE 3.72Å; F82-M283 HydrophobicContact CZ-CE 3.86Å; F82-W326 HydrophobicContact CE2-CB 4.23Å; F82-W326 AromaticContact CE2-CD2 3.95Å; F82-W326 HydrophobicContact CE2-CD2 3.95Å; F82-W326 AromaticContact CE2-CE3 3.73Å; F82-W326 HydrophobicContact CE2-CE3 3.73Å; F82-W326 HydrophobicContact CE2-CG 4.18Å; F82-W326 HydrophobicContact CE2-CZ3 4.44Å; F82-W326 HydrophobicContact CZ-CB 4.09Å; F82-W326 AromaticContact CZ-CD2 3.9Å; F82-W326 HydrophobicContact CZ-CD2 3.9Å; F82-W326 HydrophobicContact CZ-CE3 4.16Å; F82-W326 AromaticContact CZ-CG 3.86Å; F82-W326 HydrophobicContact CZ-CG 3.86Å; F82-W330 AromaticContact CE2-CD1 3.8Å
83	S	98.6	Very high	98.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.8	-168.5	-64.7	0	0	0	0	115.6	F58 N61 L79 N80	F58-S83 WeakPolarHBondContact CA-O 3.27Å; N61-S83 PolarHBondContact ND2-O 3.22Å; L79-S83 VanDerWaalsContact CA-OG 3.24Å; L79-S83 WeakPolarHBondContact CA-OG 3.11Å; N80-S83 PolarHBondContact N-OG 3.34Å; N80-S83 WeakPolarHBondContact O-CB 3.39Å; N80-S83 PolarHBondContact O-N 2.93Å; N80-S83 PolarHBondContact O-OG 3.01Å; N80-S83 VanDerWaalsContact O-OG 3.09Å
84	D	98.5	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	12.5	176	75.4	-22.4	0	0	0	113.7	F35 W38 Y46 R54 F58 F82	F35-D84 HydrophobicContact CE2-CB 3.93Å; W38-D84 HydrophobicContact CH2-CB 3.82Å; W38-D84 WeakPolarHBondContact CH2-OD1 3.47Å; W38-D84 VanDerWaalsContact CH2-OD2 3.28Å; W38-D84 WeakPolarHBondContact CH2-OD2 3.49Å; W38-D84 HydrophobicContact CZ3-CB 3.83Å; W38-D84 VanDerWaalsContact CZ3-CG 3.44Å; W38-D84 WeakPolarHBondContact CZ3-OD2 3.29Å; Y46-D84 VanDerWaalsContact CZ-OD2 3.29Å; Y46-D84 PolarHBondContact OH-OD2 2.8Å; R54-D84 HydrophobicContact CB-CB 4.45Å; R54-D84 WeakPolarHBondContact CD-O 3.46Å; R54-D84 PolarHBondContact NH1-O 3.36Å; F58-D84 HydrophobicContact CB-CB 4.41Å; F82-D84 VanDerWaalsContact C-N 3.25Å; F82-D84 PolarHBondContact O-N 2.78Å; F82-D84 VanDerWaalsContact O-N 3.16Å
85	M	98.6	Very high	98.1	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.025	21%	0.207	C	C	.	.	S	Bend	trans	-107.5	143	-179.7	-59.2	-173.9	73.5	0	0	111.2	T57 N61 F82 E89 I90 K93 Y94	T57-M85 VanDerWaalsContact CG2-C 3.42Å; T57-M85 WeakPolarHBondContact CG2-O 3.41Å; N61-M85 PolarHBondContact ND2-O 2.78Å; F82-M85 HydrophobicContact CD1-SD 4.22Å; F82-M85 WeakPolarHBondContact O-CB 3.49Å; F82-M85 PolarHBondContact O-N 3.48Å; M85-E89 HydrophobicContact CE-CB 4.05Å; M85-E89 HydrophobicContact CE-CG 3.43Å; M85-E89 VanDerWaalsContact CE-CG 3.43Å; M85-E89 WeakPolarHBondContact CE-OE1 3.29Å; M85-I90 HydrophobicContact CB-CD1 4.08Å; M85-I90 HydrophobicContact CB-CG1 3.76Å; M85-I90 HydrophobicContact CE-CG1 4.3Å; M85-I90 HydrophobicContact SD-CG1 4.22Å; M85-K93 HydrophobicContact CE-CD 3.9Å; M85-Y94 HydrophobicContact CE-CD2 4.44Å; M85-Y94 HydrophobicContact CE-CE2 3.75Å; M85-Y94 HydrophobicContact SD-CE2 3.8Å
86	S	98.3	Very high	98.1	Very high	46 Å²	46	40.3 Å²	40.3	32%	0.322	21%	0.206	S	C	.	.			trans	-75.9	156	167.8	75.7	0	0	0	0	109.8	A88 E89 I90	S86-A88 PolarHBondContact O-N 2.98Å; S86-E89 PolarHBondContact O-N 2.86Å; S86-E89 PolarHBondContact OG-N 3.31Å; S86-I90 WeakPolarHBondContact O-CG1 3.05Å; S86-I90 PolarHBondContact O-N 3.32Å
87	F	98.1	Very high	97.8	Very high	54 Å²	54	40.2 Å²	40.2	24%	0.237	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-30.2	177.2	-173.4	-116.5	0	0	0	112.5	I90 K91 L95 V278 Q280 M283	F87-I90 HydrophobicContact CD2-CB 4.5Å; F87-I90 PolarHBondContact O-N 3.21Å; F87-K91 WeakPolarHBondContact O-CB 3.49Å; F87-K91 PolarHBondContact O-N 3.32Å; F87-L95 HydrophobicContact CE2-CD1 4.14Å; F87-L95 HydrophobicContact CZ-CD1 4.15Å; F87-V278 HydrophobicContact CE2-CG1 4.34Å; F87-V278 WeakPolarHBondContact CZ-O 3.33Å; F87-Q280 HydrophobicContact CB-CB 4.12Å; F87-Q280 HydrophobicContact CB-CG 4.25Å; F87-Q280 HydrophobicContact CD2-CB 4.14Å; F87-Q280 HydrophobicContact CG-CB 4Å; F87-M283 HydrophobicContact CD2-CG 4.07Å; F87-M283 HydrophobicContact CE2-CG 4.08Å
88	A	98.1	Very high	97.3	Very high	75 Å²	75	43.5 Å²	43.5	62%	0.62	23%	0.231	S	C	*	.	H	α-helix	trans	-63.1	-43.9	173.7	0	0	0	0	0	111.8	S86 K91 H92	S86-A88 PolarHBondContact O-N 2.98Å; A88-K91 PolarHBondContact O-N 2.99Å; A88-H92 PolarHBondContact O-N 3.33Å
89	E	98	Very high	96.9	Very high	35 Å²	35	46.7 Å²	46.7	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-66.7	-40.2	176.3	-168.6	-170.9	177.2	0	0	111.7	R54 M85 S86 H92 K93	R54-E89 IonicContact CZ-OE1 3.85Å; R54-E89 IonicContact CZ-OE2 2.78Å; R54-E89 IonicContact NH1-OE1 3.47Å; R54-E89 IonicContact NH1-OE2 3.5Å; R54-E89 PolarHBondContact NH1-OE2 2.95Å; R54-E89 IonicContact NH2-OE1 3.89Å; R54-E89 PolarHBondContact NH2-OE1 3.29Å; R54-E89 IonicContact NH2-OE2 3.17Å; R54-E89 PolarHBondContact NH2-OE2 3.42Å; M85-E89 HydrophobicContact CE-CB 4.05Å; M85-E89 HydrophobicContact CE-CG 3.43Å; M85-E89 VanDerWaalsContact CE-CG 3.43Å; M85-E89 WeakPolarHBondContact CE-OE1 3.29Å; S86-E89 PolarHBondContact O-N 2.86Å; S86-E89 PolarHBondContact OG-N 3.31Å; E89-H92 PolarHBondContact O-N 2.94Å; E89-K93 HydrophobicContact CG-CD 4.08Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 PolarHBondContact O-N 3.46Å; E89-K93 IonicContact OE1-NZ 3.25Å; E89-K93 PolarHBondContact OE1-NZ 2.83Å
90	I	97.8	Very high	96.6	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-49.4	175.2	-69.9	168.4	0	0	0	110.2	F82 M85 S86 F87 H92 K93 Y94 M283	F82-I90 HydrophobicContact CB-CD1 3.93Å; F82-I90 HydrophobicContact CD1-CG1 4.49Å; M85-I90 HydrophobicContact CB-CD1 4.08Å; M85-I90 HydrophobicContact CB-CG1 3.76Å; M85-I90 HydrophobicContact CE-CG1 4.3Å; M85-I90 HydrophobicContact SD-CG1 4.22Å; S86-I90 WeakPolarHBondContact O-CG1 3.05Å; S86-I90 PolarHBondContact O-N 3.32Å; F87-I90 HydrophobicContact CD2-CB 4.5Å; F87-I90 PolarHBondContact O-N 3.21Å; I90-H92 VanDerWaalsContact C-N 3.28Å; I90-H92 PolarHBondContact O-N 3.32Å; I90-K93 PolarHBondContact O-N 2.99Å; I90-K93 VanDerWaalsContact O-N 3.13Å; I90-Y94 HydrophobicContact CG2-CD2 4.45Å; I90-Y94 PolarHBondContact O-N 3.38Å; I90-M283 HydrophobicContact CD1-CB 4.21Å; I90-M283 HydrophobicContact CD1-CE 4.22Å; I90-M283 HydrophobicContact CD1-CG 3.95Å; I90-M283 HydrophobicContact CG2-CE 3.48Å; I90-M283 VanDerWaalsContact CG2-CE 3.48Å; I90-M283 HydrophobicContact CG2-CG 4.07Å; I90-M283 HydrophobicContact CG2-SD 3.67Å
91	K	96.4	Very high	95.9	Very high	107 Å²	107	48.2 Å²	48.2	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-43.2	179.8	-175.1	176.6	178.8	-179.9	0	111.4	F87 A88 K93 L95	F87-K91 WeakPolarHBondContact O-CB 3.49Å; F87-K91 PolarHBondContact O-N 3.32Å; A88-K91 PolarHBondContact O-N 2.99Å; K91-K93 PolarHBondContact O-N 2.87Å; K91-L95 HydrophobicContact CB-CD1 4.32Å; K91-L95 HydrophobicContact CG-CB 4.45Å; K91-L95 HydrophobicContact CG-CD1 4.39Å; K91-L95 PolarHBondContact O-N 3.37Å
92	H	96.2	Very high	94.8	Very high	163 Å²	163	46.3 Å²	46.3	76%	0.755	25%	0.249	S	C	*	.	H	α-helix	trans	-67.4	-32	178.5	-174.8	-67.1	0	0	0	113.4	A88 E89 I90	A88-H92 PolarHBondContact O-N 3.33Å; E89-H92 PolarHBondContact O-N 2.94Å; I90-H92 VanDerWaalsContact C-N 3.28Å; I90-H92 PolarHBondContact O-N 3.32Å
93	K	96.4	Very high	93	Very high	83 Å²	83	49.8 Å²	49.8	36%	0.361	27%	0.273	S	S	.	.	H	α-helix	trans	-100.5	-28.9	-172.4	-71.9	-177.5	176.9	173.2	0	114.8	M85 E89 I90 K91 A137 C138	M85-K93 HydrophobicContact CE-CD 3.9Å; E89-K93 HydrophobicContact CG-CD 4.08Å; E89-K93 WeakPolarHBondContact O-CB 3.4Å; E89-K93 PolarHBondContact O-N 3.46Å; E89-K93 IonicContact OE1-NZ 3.25Å; E89-K93 PolarHBondContact OE1-NZ 2.83Å; I90-K93 PolarHBondContact O-N 2.99Å; I90-K93 VanDerWaalsContact O-N 3.13Å; K91-K93 PolarHBondContact O-N 2.87Å; K93-A137 HydrophobicContact CB-CB 4.36Å; K93-A137 CarbonylContact O-C 3.45Å; K93-A137 WeakPolarHBondContact O-CA 3.39Å; K93-C138 PolarHBondContact O-N 3.19Å; K93-C138 VanDerWaalsContact O-N 3.07Å
94	Y	98.3	Very high	91	Very high	35 Å²	35	52.7 Å²	52.7	14%	0.137	30%	0.297	C	S	.	.	H	α-helix	trans	-125.9	-18.9	-166.4	-64.6	-87.3	0	0	0	114.5	F82 M85 I90 Q135 G136 A137	F82-Y94 HydrophobicContact CD1-CD2 4.49Å; F82-Y94 HydrophobicContact CD1-CE2 4.21Å; F82-Y94 AromaticContact CE1-CD1 3.91Å; F82-Y94 HydrophobicContact CE1-CD1 3.91Å; F82-Y94 HydrophobicContact CE1-CD2 4.07Å; F82-Y94 AromaticContact CE1-CE1 3.77Å; F82-Y94 HydrophobicContact CE1-CE1 3.77Å; F82-Y94 AromaticContact CE1-CE2 3.91Å; F82-Y94 HydrophobicContact CE1-CE2 3.91Å; F82-Y94 HydrophobicContact CE1-CG 4.07Å; F82-Y94 AromaticContact CE1-CZ 3.77Å; F82-Y94 HydrophobicContact CZ-CD1 4.47Å; M85-Y94 HydrophobicContact CE-CD2 4.44Å; M85-Y94 HydrophobicContact CE-CE2 3.75Å; M85-Y94 HydrophobicContact SD-CE2 3.8Å; I90-Y94 HydrophobicContact CG2-CD2 4.45Å; I90-Y94 PolarHBondContact O-N 3.38Å; Y94-Q135 PolarHBondContact O-NE2 3.32Å; Y94-G136 WeakPolarHBondContact CD1-O 3.32Å; Y94-G136 VanDerWaalsContact CE1-C 3.46Å; Y94-G136 WeakPolarHBondContact CE1-O 3.17Å; Y94-A137 HydrophobicContact CE1-CB 4.26Å
95	L	98.1	Very high	89.2	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.016	30%	0.303	C	S	.	.	S	Bend	trans	-107.8	172.5	-179	-53.3	-177.4	0	0	0	110	F87 K91 V278 H304 W326	F87-L95 HydrophobicContact CE2-CD1 4.14Å; F87-L95 HydrophobicContact CZ-CD1 4.15Å; K91-L95 HydrophobicContact CB-CD1 4.32Å; K91-L95 HydrophobicContact CG-CB 4.45Å; K91-L95 HydrophobicContact CG-CD1 4.39Å; K91-L95 PolarHBondContact O-N 3.37Å; L95-V278 HydrophobicContact CD1-CB 4.13Å; L95-V278 HydrophobicContact CD1-CG1 4.04Å; L95-V278 HydrophobicContact CD2-CB 4.13Å; L95-V278 HydrophobicContact CD2-CG1 4.17Å; L95-V278 HydrophobicContact CD2-CG2 4.35Å; L95-H304 HydrophobicContact CD2-CB 4.28Å; L95-W326 HydrophobicContact CD2-CZ2 4.15Å
96	W	97.7	Very high	87.8	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.015	34%	0.341	C	S	.	.			trans	-66.3	136.9	175.2	-56.5	-18.6	0	0	0	111.4	E98 Q100 G139 C141 W142 Q182 G184 L185 A275 V302 N303 A305	W96-E98 VanDerWaalsContact C-N 3.34Å; W96-Q100 HydrophobicContact CD2-CG 3.84Å; W96-Q100 HydrophobicContact CE3-CB 4.09Å; W96-Q100 HydrophobicContact CE3-CG 3.36Å; W96-Q100 HydrophobicContact CG-CG 4.5Å; W96-Q100 HydrophobicContact CH2-CG 4.31Å; W96-Q100 HydrophobicContact CZ3-CB 3.89Å; W96-Q100 HydrophobicContact CZ3-CG 3.61Å; W96-G139 VanDerWaalsContact CD1-O 3.31Å; W96-C141 PolarHBondContact NE1-SG 3.43Å; W96-W142 HydrophobicContact CZ2-CB 4.07Å; W96-W142 AromaticContact NE1-CD1 3.98Å; W96-Q182 VanDerWaalsContact CA-O 3.29Å; W96-Q182 WeakPolarHBondContact CA-O 3.25Å; W96-G184 WeakPolarHBondContact CH2-O 3.43Å; W96-G184 WeakPolarHBondContact CZ2-O 3.36Å; W96-L185 HydrophobicContact CH2-CD2 3.75Å; W96-L185 HydrophobicContact CZ3-CD2 4.12Å; W96-A275 HydrophobicContact CH2-CB 3.79Å; W96-A275 HydrophobicContact CZ3-CB 4.34Å; W96-V302 HydrophobicContact CZ3-CG2 4Å; W96-N303 PolarHBondContact N-O 3.01Å; W96-N303 VanDerWaalsContact N-O 3.16Å; W96-A305 HydrophobicContact CH2-CB 4.23Å; W96-A305 HydrophobicContact CZ2-CB 3.71Å
97	S	92.3	Very high	86.7	Confident	76 Å²	76	61.7 Å²	61.7	53%	0.531	34%	0.336	S	S	.	.	S	Bend	trans	-77.1	-25.1	178.5	49.4	0	0	0	0	112.3	Q182	S97-Q182 PolarHBondContact N-O 2.91Å; S97-Q182 VanDerWaalsContact OG-CB 3.28Å; S97-Q182 WeakPolarHBondContact OG-CB 3.32Å; S97-Q182 PolarHBondContact OG-O 3.31Å
98	E	88.9	Confident	85.9	Confident	83 Å²	83	63.1 Å²	63.1	39%	0.388	35%	0.346	S	S	.	.	S	Bend	trans	-139.4	151.1	-178.6	63.8	-176	-179.8	0	0	112.5	W96 Q100 H179	W96-E98 VanDerWaalsContact C-N 3.34Å; E98-Q100 PolarHBondContact O-N 2.76Å; E98-Q100 PolarHBondContact O-NE2 3.23Å; E98-H179 IonicContact OE1-CD2 3.32Å; E98-H179 IonicContact OE1-CE1 2.65Å; E98-H179 IonicContact OE1-CG 2.66Å; E98-H179 IonicContact OE1-ND1 2.86Å
99	P	91.1	Very high	85.1	Confident	93 Å²	93	60.2 Å²	60.2	60%	0.604	32%	0.319	S	S	*	.			trans	-57.1	132	173.9	-22.8	33.8	0	0	0	111.3
100	Q	90.8	Very high	84.2	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.056	35%	0.347	C	S	.	.			trans	-91.8	159.5	176.1	-57.7	-59.6	-63.5	0	0	110.9	W96 E98 C102 H179 L185	W96-Q100 HydrophobicContact CD2-CG 3.84Å; W96-Q100 HydrophobicContact CE3-CB 4.09Å; W96-Q100 HydrophobicContact CE3-CG 3.36Å; W96-Q100 HydrophobicContact CG-CG 4.5Å; W96-Q100 HydrophobicContact CH2-CG 4.31Å; W96-Q100 HydrophobicContact CZ3-CB 3.89Å; W96-Q100 HydrophobicContact CZ3-CG 3.61Å; E98-Q100 PolarHBondContact O-N 2.76Å; E98-Q100 PolarHBondContact O-NE2 3.23Å; Q100-C102 PolarHBondContact O-N 2.94Å; Q100-H179 PolarHBondContact OE1-ND1 2.86Å; Q100-H179 VanDerWaalsContact OE1-ND1 3.07Å; Q100-L185 HydrophobicContact CB-CD1 4Å; Q100-L185 HydrophobicContact CB-CD2 4Å; Q100-L185 HydrophobicContact CB-CG 3.79Å
101	N	84.9	Confident	83.6	Confident	93 Å²	93	69.9 Å²	69.9	50%	0.497	36%	0.364	S	S	.	.			trans	-81.9	55.6	-173.5	-153.8	-4.1	0	0	0	113.6	S103 A104	N101-S103 PolarHBondContact O-N 3.45Å; N101-A104 HydrophobicContact CB-CB 4.19Å; N101-A104 WeakPolarHBondContact ND2-CB 3.25Å; N101-A104 PolarHBondContact O-N 3.24Å; N101-A104 VanDerWaalsContact O-N 3.08Å; N101-A104 WeakPolarHBondContact OD1-CB 3.23Å
102	C	74.8	Confident	83.1	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.007	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-54.4	-36	-178.6	177.4	0	0	0	0	111.9	Q100 A104 T105 L185 P299 A349 C350	Q100-C102 PolarHBondContact O-N 2.94Å; C102-A104 PolarHBondContact O-N 3.26Å; C102-T105 PolarHBondContact O-OG1 3.44Å; C102-T105 VanDerWaalsContact O-OG1 3.05Å; C102-L185 HydrophobicContact CB-CD1 4.5Å; C102-P299 HydrophobicContact CB-CB 3.89Å; C102-A349 VanDerWaalsContact SG-C 3.57Å; C102-C350 HydrophobicContact CB-CB 3.94Å; C102-C350 WeakPolarHBondContact CB-SG 3.34Å; C102-C350 WeakPolarHBondContact SG-CB 3.45Å; C102-C350 PolarHBondContact SG-N 2.96Å; C102-C350 CovalentContact SG-SG 2.02Å; C102-C350 PolarHBondContact SG-SG 2.92Å
103	S	61.8	Low	82.8	Confident	75 Å²	75	65.1 Å²	65.1	52%	0.524	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-76	-14.7	-179.9	-56.5	0	0	0	0	115.4	N101 T105 P299	N101-S103 PolarHBondContact O-N 3.45Å; S103-T105 VanDerWaalsContact C-N 3.32Å; S103-P299 WeakPolarHBondContact OG-CB 3.46Å
104	A	56.7	Low	82.4	Confident	60 Å²	60	62.9 Å²	62.9	50%	0.496	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-81.8	-9.3	-175.8	0	0	0	0	0	114.2	N101 C102 K106	N101-A104 HydrophobicContact CB-CB 4.19Å; N101-A104 WeakPolarHBondContact ND2-CB 3.25Å; N101-A104 PolarHBondContact O-N 3.24Å; N101-A104 VanDerWaalsContact O-N 3.08Å; N101-A104 WeakPolarHBondContact OD1-CB 3.23Å; C102-A104 PolarHBondContact O-N 3.26Å; A104-K106 PolarHBondContact O-N 2.86Å
105	T	60.8	Low	82.2	Confident	21 Å²	21	67.8 Å²	67.8	13%	0.129	40%	0.398	C	S	.	.	S	Bend	trans	-78.8	116.5	177.3	52	0	0	0	0	110	C102 S103 S107 S187 T232	C102-T105 PolarHBondContact O-OG1 3.44Å; C102-T105 VanDerWaalsContact O-OG1 3.05Å; S103-T105 VanDerWaalsContact C-N 3.32Å; T105-S107 PolarHBondContact O-N 3.31Å; T105-S187 VanDerWaalsContact CG2-OG 3.31Å; T105-S187 WeakPolarHBondContact CG2-OG 3.33Å; T105-T232 PolarHBondContact O-OG1 3.07Å; T105-T232 WeakPolarHBondContact OG1-CG2 3.48Å
106	K	67.6	Low	82.1	Confident	188 Å²	188	69.2 Å²	69.2	82%	0.817	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-71.4	120.9	172.2	-67.7	-178.3	-176.6	176.2	0	108.6	A104 N108	A104-K106 PolarHBondContact O-N 2.86Å; K106-N108 PolarHBondContact O-N 2.81Å
107	S	76.3	Confident	82.1	Confident	32 Å²	32	72 Å²	72	22%	0.224	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-61.1	127.3	173.2	-176.9	0	0	0	0	109.9	T105 N230	T105-S107 PolarHBondContact O-N 3.31Å; S107-N230 PolarHBondContact OG-O 3.41Å
108	N	81.6	Confident	82.3	Confident	83 Å²	83	73.9 Å²	73.9	44%	0.444	43%	0.433	S	S	.	.			trans	-115.5	-6.6	169.8	63.1	-12.5	0	0	0	111.9	K106 V228 N230	K106-N108 PolarHBondContact O-N 2.81Å; N108-V228 PolarHBondContact ND2-O 3.12Å; N108-N230 PolarHBondContact N-O 3.07Å; N108-N230 PolarHBondContact OD1-N 3.48Å
109	Y	80.1	Confident	82.8	Confident	15 Å²	15	73.7 Å²	73.7	6%	0.059	44%	0.441	C	S	.	.			trans	-75.2	126.9	176.7	-166.7	-85.1	0	0	0	110.9	R111 A229 N230 I231 Q234 A261 E264 A265 Y269 Y353	Y109-R111 HydrophobicContact CE1-CB 4.2Å; Y109-A229 HydrophobicContact CD2-CB 4.26Å; Y109-N230 WeakPolarHBondContact CB-O 3.35Å; Y109-N230 PolarHBondContact N-O 3.22Å; Y109-I231 HydrophobicContact CD1-CG1 4.13Å; Y109-I231 HydrophobicContact CD2-CD1 4.26Å; Y109-I231 HydrophobicContact CD2-CG1 3.92Å; Y109-I231 HydrophobicContact CE2-CD1 4.41Å; Y109-I231 HydrophobicContact CG-CD1 4.36Å; Y109-I231 HydrophobicContact CG-CG1 3.68Å; Y109-Q234 PolarHBondContact O-NE2 2.66Å; Y109-A261 HydrophobicContact CD1-CB 3.67Å; Y109-A261 HydrophobicContact CE1-CB 3.59Å; Y109-E264 WeakPolarHBondContact CE1-OE1 3.19Å; Y109-E264 WeakPolarHBondContact OH-CG 3.46Å; Y109-E264 PolarHBondContact OH-OE1 3.4Å; Y109-A265 HydrophobicContact CE2-CB 4.13Å; Y109-Y269 HydrophobicContact CE2-CD2 4.34Å; Y109-Y269 HydrophobicContact CE2-CE2 4.11Å; Y109-Y269 WeakPolarHBondContact OH-CE2 3.24Å; Y109-Y353 AromaticContact CD2-CE1 3.93Å; Y109-Y353 HydrophobicContact CD2-CE1 3.93Å; Y109-Y353 AromaticContact CE2-CE1 3.77Å; Y109-Y353 HydrophobicContact CE2-CE1 3.77Å; Y109-Y353 WeakPolarHBondContact CE2-OH 3.36Å
110	L	80.3	Confident	83.2	Confident	143 Å²	143	69.6 Å²	69.6	75%	0.749	41%	0.414	S	S	*	.			trans	-113.6	112.4	173	-66.5	177.1	0	0	0	108.3
111	R	84.9	Confident	83.6	Confident	98 Å²	98	69.8 Å²	69.8	37%	0.37	42%	0.415	S	S	.	.			trans	-67.4	134.8	179.5	-167.2	-179.2	60.3	64.3	13.1	110.9	Y109 A261 E264	Y109-R111 HydrophobicContact CE1-CB 4.2Å; R111-A261 HydrophobicContact CB-CB 4.19Å; R111-A261 HydrophobicContact CG-CB 4.3Å; R111-E264 VanDerWaalsContact CA-OE1 3.32Å; R111-E264 WeakPolarHBondContact CA-OE1 3.35Å; R111-E264 HydrophobicContact CG-CB 4.34Å
112	G	86.4	Confident	84.2	Confident	34 Å²	34	66.3 Å²	66.3	35%	0.351	40%	0.395	S	S	.	.			trans	-76.6	-152.2	170.3	0	0	0	0	0	113.5	E264	G112-E264 WeakPolarHBondContact CA-OE2 3.32Å; G112-E264 VanDerWaalsContact N-CD 3.32Å; G112-E264 PolarHBondContact N-OE1 3.36Å; G112-E264 PolarHBondContact N-OE2 2.79Å
113	T	88.4	Confident	85.4	Confident	136 Å²	136	70.9 Å²	70.9	83%	0.834	41%	0.413	S	S	*	.			trans	-118.1	129.6	-178.6	-52.6	0	0	0	0	109.9
114	G	88.6	Confident	87.1	Confident	35 Å²	35	75.7 Å²	75.7	36%	0.361	42%	0.424	S	S	.	.			trans	-76.8	-169.3	174.2	0	0	0	0	0	113.5
115	P	93.2	Very high	89.1	Confident	138 Å²	138	78.6 Å²	78.6	90%	0.896	43%	0.425	S	S	*	.	P	Polyproline II helix	cis	-78.5	150.2	10.1	31.5	-35.5	0	0	0	113.5
116	Y	96.6	Very high	90.8	Very high	34 Å²	34	79.3 Å²	79.3	13%	0.133	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-94.9	160.7	171.6	-50.4	-63.3	0	0	0	110.5	E260 V263 E264 L268	Y116-E260 HydrophobicContact CE2-CG 4.46Å; Y116-V263 HydrophobicContact CD2-CB 4.47Å; Y116-V263 HydrophobicContact CD2-CG1 3.79Å; Y116-V263 HydrophobicContact CG-CG1 4.28Å; Y116-E264 HydrophobicContact CD1-CB 4.34Å; Y116-E264 HydrophobicContact CD1-CG 4.26Å; Y116-E264 HydrophobicContact CE1-CB 3.68Å; Y116-E264 HydrophobicContact CE1-CG 3.43Å; Y116-E264 VanDerWaalsContact CE1-CG 3.43Å; Y116-E264 WeakPolarHBondContact CE1-OE2 3.14Å; Y116-E264 HydrophobicContact CE2-CB 3.97Å; Y116-E264 VanDerWaalsContact CZ-CB 3.47Å; Y116-E264 VanDerWaalsContact CZ-OE2 3.29Å; Y116-E264 VanDerWaalsContact OH-CD 3.24Å; Y116-E264 PolarHBondContact OH-OE2 3.29Å; Y116-L268 HydrophobicContact CE1-CD1 4.34Å
117	P	98	Very high	92.2	Very high	62 Å²	62	75.7 Å²	75.7	40%	0.403	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-53	144.5	177.4	-26	34.9	0	0	0	112	S119 V120 Y311	P117-S119 PolarHBondContact O-N 3.43Å; P117-V120 HydrophobicContact CB-CG2 4.2Å; P117-Y311 WeakPolarHBondContact O-CE2 3.32Å; P117-Y311 PolarHBondContact O-OH 2.94Å
118	P	97.6	Very high	93.3	Very high	116 Å²	116	76.3 Å²	76.3	75%	0.753	43%	0.425	S	S	*	.	S	Bend	trans	-66.2	-23.9	-176.5	25.7	-34.9	0	0	0	113.5
119	S	98.6	Very high	94.1	Very high	78 Å²	78	73.1 Å²	73.1	55%	0.545	41%	0.409	S	S	.	.			trans	-150.4	144.5	175	65.5	0	0	0	0	111.6	P117 Y311	P117-S119 PolarHBondContact O-N 3.43Å; S119-Y311 CarbonylContact C-O 3.56Å; S119-Y311 VanDerWaalsContact CA-O 3.28Å; S119-Y311 WeakPolarHBondContact CA-O 3.37Å
120	V	98.8	Very high	95	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.042	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.3	177.1	175.2	0	0	0	0	108.5	P117 V266 A267 G310 Y311	P117-V120 HydrophobicContact CB-CG2 4.2Å; V120-V266 HydrophobicContact CG1-CG1 4.24Å; V120-A267 HydrophobicContact CG2-CB 4.24Å; V120-G310 CarbonylContact O-C 3.36Å; V120-G310 WeakPolarHBondContact O-CA 3.2Å; V120-Y311 HydrophobicContact CB-CD1 4.15Å; V120-Y311 HydrophobicContact CB-CE1 3.83Å; V120-Y311 HydrophobicContact CG2-CD1 4.48Å; V120-Y311 HydrophobicContact CG2-CE1 3.68Å; V120-Y311 HydrophobicContact CG2-CE2 4.31Å; V120-Y311 WeakPolarHBondContact CG2-OH 3.23Å; V120-Y311 PolarHBondContact N-O 3.04Å; V120-Y311 PolarHBondContact O-N 3.2Å; V120-Y311 VanDerWaalsContact O-O 3.06Å
121	D	98.8	Very high	95.9	Very high	17 Å²	17	70.7 Å²	70.7	9%	0.091	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	103	172	-171.6	-15.5	0	0	0	108.7	R123 K124 K125 I321	D121-R123 PolarHBondContact O-N 3.27Å; D121-R123 VanDerWaalsContact OD1-CB 3.27Å; D121-R123 WeakPolarHBondContact OD1-CB 3.41Å; D121-R123 WeakPolarHBondContact OD1-CG 3.44Å; D121-R123 IonicContact OD1-CZ 2.97Å; D121-R123 PolarHBondContact OD1-N 3.46Å; D121-R123 VanDerWaalsContact OD1-N 3.15Å; D121-R123 IonicContact OD1-NE 2.68Å; D121-R123 PolarHBondContact OD1-NE 2.93Å; D121-R123 IonicContact OD1-NH2 3.6Å; D121-R123 IonicContact OD2-CZ 3.16Å; D121-R123 IonicContact OD2-NE 3.41Å; D121-R123 PolarHBondContact OD2-NE 2.85Å; D121-R123 IonicContact OD2-NH2 2.76Å; D121-R123 PolarHBondContact OD2-NH2 2.81Å; D121-K124 HydrophobicContact CB-CB 4.4Å; D121-K124 HydrophobicContact CB-CD 4.11Å; D121-K124 HydrophobicContact CB-CG 4.13Å; D121-K124 PolarHBondContact O-N 3.34Å; D121-K124 WeakPolarHBondContact OD2-CE 3.44Å; D121-K125 PolarHBondContact O-N 2.82Å; D121-I321 HydrophobicContact CB-CD1 4.02Å
122	W	98.8	Very high	96.5	Very high	19 Å²	19	67.2 Å²	67.2	7%	0.072	39%	0.393	C	S	.	.	H	α-helix	trans	-61.9	-24.8	-177.5	-78.7	101.1	0	0	0	113	K124 K125 F128 V129 I156 V266 P271 V309	W122-K124 PolarHBondContact O-N 3.46Å; W122-K125 HydrophobicContact CD2-CD 4.1Å; W122-K125 HydrophobicContact CE3-CB 4.33Å; W122-K125 HydrophobicContact CE3-CD 3.84Å; W122-K125 HydrophobicContact CZ3-CD 4.08Å; W122-K125 PolarHBondContact O-N 2.97Å; W122-F128 HydrophobicContact CE3-CB 4.16Å; W122-F128 AromaticContact CE3-CD2 3.84Å; W122-F128 HydrophobicContact CE3-CD2 3.84Å; W122-F128 HydrophobicContact CE3-CG 4.25Å; W122-F128 HydrophobicContact CZ3-CD2 4.13Å; W122-F128 HydrophobicContact CZ3-CE2 4.5Å; W122-V129 HydrophobicContact CB-CG2 3.77Å; W122-I156 HydrophobicContact CD2-CD1 4.07Å; W122-I156 HydrophobicContact CE3-CD1 3.59Å; W122-I156 HydrophobicContact CE3-CG1 3.93Å; W122-I156 HydrophobicContact CH2-CD1 3.67Å; W122-I156 HydrophobicContact CH2-CG1 4.2Å; W122-I156 HydrophobicContact CH2-CG2 4.29Å; W122-I156 HydrophobicContact CZ2-CD1 4.14Å; W122-I156 HydrophobicContact CZ3-CD1 3.38Å; W122-I156 HydrophobicContact CZ3-CG1 3.56Å; W122-I156 HydrophobicContact CZ3-CG2 4.21Å; W122-V266 PolarHBondContact NE1-O 3.29Å; W122-P271 HydrophobicContact CB-CG 4.11Å; W122-P271 HydrophobicContact CD2-CG 4.45Å; W122-P271 HydrophobicContact CG-CG 3.84Å; W122-V309 WeakPolarHBondContact CB-O 3.45Å; W122-V309 VanDerWaalsContact CD1-O 3.28Å; W122-V309 PolarHBondContact N-O 3.37Å
123	R	98.6	Very high	97.1	Very high	98 Å²	98	67.6 Å²	67.6	37%	0.37	39%	0.385	S	S	.	.	H	α-helix	trans	-67	-24	175.6	-51.6	171.2	-62.6	176.6	7.1	112.5	D121 V129 V309	D121-R123 PolarHBondContact O-N 3.27Å; D121-R123 VanDerWaalsContact OD1-CB 3.27Å; D121-R123 WeakPolarHBondContact OD1-CB 3.41Å; D121-R123 WeakPolarHBondContact OD1-CG 3.44Å; D121-R123 IonicContact OD1-CZ 2.97Å; D121-R123 PolarHBondContact OD1-N 3.46Å; D121-R123 VanDerWaalsContact OD1-N 3.15Å; D121-R123 IonicContact OD1-NE 2.68Å; D121-R123 PolarHBondContact OD1-NE 2.93Å; D121-R123 IonicContact OD1-NH2 3.6Å; D121-R123 IonicContact OD2-CZ 3.16Å; D121-R123 IonicContact OD2-NE 3.41Å; D121-R123 PolarHBondContact OD2-NE 2.85Å; D121-R123 IonicContact OD2-NH2 2.76Å; D121-R123 PolarHBondContact OD2-NH2 2.81Å; R123-V129 HydrophobicContact CG-CB 4Å; R123-V129 HydrophobicContact CG-CG1 4.32Å; R123-V129 HydrophobicContact CG-CG2 3.85Å; R123-V309 HydrophobicContact CG-CG2 4.42Å
124	K	98.4	Very high	97.6	Very high	176 Å²	176	65.2 Å²	65.2	77%	0.765	37%	0.367	S	S	*	.	H	α-helix	trans	-94.1	-18.7	178.7	-62.5	-176.3	-176.8	178.7	0	113.1	D121 W122 G126	D121-K124 HydrophobicContact CB-CB 4.4Å; D121-K124 HydrophobicContact CB-CD 4.11Å; D121-K124 HydrophobicContact CB-CG 4.13Å; D121-K124 PolarHBondContact O-N 3.34Å; D121-K124 WeakPolarHBondContact OD2-CE 3.44Å; W122-K124 PolarHBondContact O-N 3.46Å; K124-G126 VanDerWaalsContact C-N 3.32Å
125	K	97.7	Very high	98.1	Very high	120 Å²	120	63.6 Å²	63.6	52%	0.522	35%	0.35	S	S	.	.	H	α-helix	trans	-77.9	-18.2	-178.3	-74.6	176	171.2	-84.5	0	113	D121 W122 F128	D121-K125 PolarHBondContact O-N 2.82Å; W122-K125 HydrophobicContact CD2-CD 4.1Å; W122-K125 HydrophobicContact CE3-CB 4.33Å; W122-K125 HydrophobicContact CE3-CD 3.84Å; W122-K125 HydrophobicContact CZ3-CD 4.08Å; W122-K125 PolarHBondContact O-N 2.97Å; K125-F128 HydrophobicContact CB-CD2 3.9Å; K125-F128 HydrophobicContact CB-CE2 4.06Å; K125-F128 WeakPolarHBondContact O-CE2 3.13Å
126	G	96.6	Very high	98.3	Very high	36 Å²	36	58 Å²	58	37%	0.371	32%	0.318	S	S	.	.	S	Bend	trans	159.8	-167.5	-179.6	0	0	0	0	0	110.9	K124 F128	K124-G126 VanDerWaalsContact C-N 3.32Å; G126-F128 PolarHBondContact O-N 2.82Å
127	N	98.1	Very high	98.3	Very high	113 Å²	113	59.4 Å²	59.4	60%	0.604	34%	0.336	S	S	*	.	S	Bend	trans	-79.2	62.4	172.7	-170.8	27.6	0	0	0	110.8	M161	N127-M161 WeakPolarHBondContact O-CE 3.34Å
128	F	98.8	Very high	98.4	Very high	44 Å²	44	56.5 Å²	56.5	19%	0.193	32%	0.318	C	S	.	.			trans	-108.9	-2.2	-172.3	-61.4	-46.8	0	0	0	114.4	W122 K125 G126 S152 A155 I156 M161	W122-F128 HydrophobicContact CE3-CB 4.16Å; W122-F128 AromaticContact CE3-CD2 3.84Å; W122-F128 HydrophobicContact CE3-CD2 3.84Å; W122-F128 HydrophobicContact CE3-CG 4.25Å; W122-F128 HydrophobicContact CZ3-CD2 4.13Å; W122-F128 HydrophobicContact CZ3-CE2 4.5Å; K125-F128 HydrophobicContact CB-CD2 3.9Å; K125-F128 HydrophobicContact CB-CE2 4.06Å; K125-F128 WeakPolarHBondContact O-CE2 3.13Å; G126-F128 PolarHBondContact O-N 2.82Å; F128-S152 VanDerWaalsContact O-CA 3.29Å; F128-S152 WeakPolarHBondContact O-CA 3.44Å; F128-S152 WeakPolarHBondContact O-CB 3.32Å; F128-S152 PolarHBondContact O-OG 3.35Å; F128-A155 HydrophobicContact CD1-CB 4.11Å; F128-A155 WeakPolarHBondContact CE1-O 3.32Å; F128-I156 HydrophobicContact CB-CG1 3.98Å; F128-I156 HydrophobicContact CD1-CB 4.36Å; F128-I156 HydrophobicContact CD1-CG1 3.69Å; F128-I156 HydrophobicContact CD2-CG1 4.39Å; F128-I156 HydrophobicContact CE1-CG1 4.25Å; F128-I156 HydrophobicContact CG-CG1 3.78Å; F128-M161 VanDerWaalsContact C-CE 3.44Å
129	V	98.8	Very high	98.4	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.097	28%	0.283	C	S	.	.	S	Bend	trans	-129.5	120.3	177	-177.4	0	0	0	0	108.3	W122 R123 V309 K323 Y335	W122-V129 HydrophobicContact CB-CG2 3.77Å; R123-V129 HydrophobicContact CG-CB 4Å; R123-V129 HydrophobicContact CG-CG1 4.32Å; R123-V129 HydrophobicContact CG-CG2 3.85Å; V129-V309 HydrophobicContact CG1-CG1 3.9Å; V129-V309 HydrophobicContact CG2-CB 4.14Å; V129-V309 HydrophobicContact CG2-CG1 4.01Å; V129-K323 HydrophobicContact CG1-CD 3.96Å; V129-Y335 WeakPolarHBondContact CG1-OH 3.46Å
130	S	98.8	Very high	98.4	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.021	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-63.6	161.7	179.5	60.9	0	0	0	0	112.2	E151 K323	S130-E151 WeakPolarHBondContact CB-OE2 3.44Å; S130-E151 PolarHBondContact OG-OE2 2.64Å; S130-K323 WeakPolarHBondContact O-CE 3.42Å; S130-K323 PolarHBondContact O-NZ 2.85Å; S130-K323 PolarHBondContact OG-NZ 2.96Å
131	P	98.8	Very high	98.4	Very high	104 Å²	104	47 Å²	47	68%	0.675	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-55.3	155.7	174.5	-26.2	35.7	0	0	0	113.5	K133 K323	P131-K133 PolarHBondContact O-N 2.84Å; P131-K323 VanDerWaalsContact O-CE 3.31Å; P131-K323 WeakPolarHBondContact O-CE 3.44Å; P131-K323 PolarHBondContact O-NZ 3.33Å
132	V	98.8	Very high	98.4	Very high	25 Å²	25	46.2 Å²	46.2	15%	0.152	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-70.6	125.7	174.4	174.4	0	0	0	0	109.7	K323 P328 Y335	V132-K323 HydrophobicContact CG2-CG 4.27Å; V132-P328 HydrophobicContact CB-CB 4.37Å; V132-Y335 HydrophobicContact CG2-CD2 4.09Å; V132-Y335 HydrophobicContact CG2-CE2 3.5Å; V132-Y335 VanDerWaalsContact CG2-CE2 3.5Å
133	K	98.8	Very high	98.4	Very high	42 Å²	42	45.3 Å²	45.3	18%	0.183	25%	0.247	C	C	.	.			trans	-99.4	-178	175.8	-59.3	-178.4	-178.5	175.1	0	111.3	P131 F144 E151 S163 L164 E166 S325 G327	P131-K133 PolarHBondContact O-N 2.84Å; K133-F144 HydrophobicContact CB-CD1 3.69Å; K133-F144 HydrophobicContact CB-CE1 3.46Å; K133-F144 VanDerWaalsContact CB-CE1 3.46Å; K133-F144 HydrophobicContact CD-CD1 3.95Å; K133-F144 HydrophobicContact CD-CE1 3.78Å; K133-F144 HydrophobicContact CG-CD1 4.41Å; K133-F144 HydrophobicContact CG-CE1 4.26Å; K133-E151 IonicContact NZ-OE1 3.54Å; K133-E151 PolarHBondContact NZ-OE1 3.38Å; K133-S163 WeakPolarHBondContact CE-OG 3.41Å; K133-S163 PolarHBondContact NZ-OG 2.04Å; K133-S163 VanDerWaalsContact NZ-OG 3.17Å; K133-L164 PolarHBondContact NZ-O 3.33Å; K133-L164 VanDerWaalsContact NZ-O 3.16Å; K133-E166 WeakPolarHBondContact CD-OE1 3.48Å; K133-E166 IonicContact NZ-OE1 3.45Å; K133-E166 PolarHBondContact NZ-OE1 3.01Å; K133-E166 IonicContact NZ-OE2 3.54Å; K133-E166 PolarHBondContact NZ-OE2 2.88Å; K133-S325 CarbonylContact O-C 3.51Å; K133-G327 WeakPolarHBondContact O-CA 3.37Å; K133-G327 PolarHBondContact O-N 3.28Å
134	N	98.7	Very high	98.4	Very high	87 Å²	87	41.6 Å²	41.6	47%	0.465	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-137	116.9	179.5	-176.9	18.6	0	0	0	111.3	G136 S325	N134-G136 VanDerWaalsContact C-N 3.26Å; N134-G136 PolarHBondContact O-N 2.97Å; N134-G136 PolarHBondContact OD1-N 3.38Å; N134-G136 VanDerWaalsContact OD1-N 3.16Å; N134-S325 CarbonylContact C-O 3.13Å; N134-S325 VanDerWaalsContact CA-O 3.29Å; N134-S325 WeakPolarHBondContact CA-O 3.38Å
135	Q	98.1	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.198	C	C	.	.			trans	-71.6	-17.7	178.7	76.6	-170.9	81.2	0	0	113.3	Y94 C138 F144 Y207 S325	Y94-Q135 PolarHBondContact O-NE2 3.32Å; Q135-C138 PolarHBondContact NE2-O 3.41Å; Q135-F144 HydrophobicContact CB-CD2 3.8Å; Q135-F144 HydrophobicContact CB-CE2 3.38Å; Q135-F144 HydrophobicContact CB-CZ 4.07Å; Q135-Y207 WeakPolarHBondContact CA-OH 3.13Å; Q135-Y207 WeakPolarHBondContact O-CE1 3.02Å; Q135-Y207 PolarHBondContact O-OH 3.36Å; Q135-S325 PolarHBondContact N-O 3.38Å; Q135-S325 PolarHBondContact OE1-OG 2.99Å
136	G	97.7	Very high	98.5	Very high	22 Å²	22	27.7 Å²	27.7	23%	0.227	17%	0.173	C	C	.	.			trans	61.1	-155.4	-174.4	0	0	0	0	0	112.8	Y94 N134 C138	Y94-G136 WeakPolarHBondContact CD1-O 3.32Å; Y94-G136 VanDerWaalsContact CE1-C 3.46Å; Y94-G136 WeakPolarHBondContact CE1-O 3.17Å; N134-G136 VanDerWaalsContact C-N 3.26Å; N134-G136 PolarHBondContact O-N 2.97Å; N134-G136 PolarHBondContact OD1-N 3.38Å; N134-G136 VanDerWaalsContact OD1-N 3.16Å; G136-C138 PolarHBondContact O-N 3.29Å
137	A	97.8	Very high	98.6	Very high	62 Å²	62	26 Å²	26	51%	0.512	16%	0.156	S	C	.	.	S	Bend	trans	-83.9	58.8	-176.9	0	0	0	0	0	112.2	K93 Y94	K93-A137 HydrophobicContact CB-CB 4.36Å; K93-A137 CarbonylContact O-C 3.45Å; K93-A137 WeakPolarHBondContact O-CA 3.39Å; Y94-A137 HydrophobicContact CE1-CB 4.26Å
138	C	98.4	Very high	98.6	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.014	13%	0.128	C	C	.	.	S	Bend	trans	-144.9	132.7	177.5	167.3	0	0	0	0	108.5	K93 Q135 G136 S140 C181 G209	K93-C138 PolarHBondContact O-N 3.19Å; K93-C138 VanDerWaalsContact O-N 3.07Å; Q135-C138 PolarHBondContact NE2-O 3.41Å; G136-C138 PolarHBondContact O-N 3.29Å; C138-S140 PolarHBondContact O-N 3.29Å; C138-S140 WeakPolarHBondContact SG-CB 3.49Å; C138-S140 PolarHBondContact SG-OG 2.97Å; C138-C181 HydrophobicContact CB-CB 3.99Å; C138-C181 WeakPolarHBondContact CB-SG 3.39Å; C138-C181 WeakPolarHBondContact SG-CA 3.18Å; C138-C181 WeakPolarHBondContact SG-CB 3.35Å; C138-C181 CovalentContact SG-SG 2.03Å; C138-C181 PolarHBondContact SG-SG 2.87Å; C138-G209 WeakPolarHBondContact CB-O 3.33Å
139	G	98.3	Very high	98.7	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.021	12%	0.119	C	C	.	.	S	Bend	trans	-73	38	178.4	0	0	0	0	0	114.3	W96 C181	W96-G139 VanDerWaalsContact CD1-O 3.31Å; G139-C181 CarbonylContact C-O 3.12Å; G139-C181 WeakPolarHBondContact CA-O 3.49Å; G139-C181 PolarHBondContact N-O 3.16Å
140	S	98.8	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.114	C	C	.	.			trans	-95.6	17.8	-175.2	55.6	0	0	0	0	114.1	C138 W142 T143 F144 Y207	C138-S140 PolarHBondContact O-N 3.29Å; C138-S140 WeakPolarHBondContact SG-CB 3.49Å; C138-S140 PolarHBondContact SG-OG 2.97Å; S140-W142 PolarHBondContact O-N 2.71Å; S140-T143 PolarHBondContact O-N 3.24Å; S140-T143 PolarHBondContact O-OG1 2.83Å; S140-F144 WeakPolarHBondContact O-CD2 3.35Å; S140-Y207 PolarHBondContact OG-OH 2.78Å
141	C	98.8	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-50.9	-30	176.4	52.7	0	0	0	0	114.2	W96 T143 F144 S145 H304 A305	W96-C141 PolarHBondContact NE1-SG 3.43Å; C141-T143 VanDerWaalsContact C-N 3.27Å; C141-T143 PolarHBondContact O-N 3.36Å; C141-F144 PolarHBondContact O-N 2.82Å; C141-S145 PolarHBondContact O-N 2.84Å; C141-H304 WeakPolarHBondContact CB-CE1 3.42Å; C141-H304 VanDerWaalsContact CB-ND1 3.27Å; C141-H304 WeakPolarHBondContact CB-ND1 3.26Å; C141-H304 PolarHBondContact SG-ND1 2.9Å; C141-A305 PolarHBondContact SG-N 3.26Å; C141-A305 VanDerWaalsContact SG-N 3.44Å
142	W	98.8	Very high	98.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.8	-37.2	173.3	67.2	-87.7	0	0	0	112.7	W96 S140 S145 T146 L169 A173 N178 G180 G183 G184 A189 A305	W96-W142 HydrophobicContact CZ2-CB 4.07Å; W96-W142 AromaticContact NE1-CD1 3.98Å; S140-W142 PolarHBondContact O-N 2.71Å; W142-S145 PolarHBondContact O-N 3.23Å; W142-T146 PolarHBondContact O-N 2.97Å; W142-T146 PolarHBondContact O-OG1 3.43Å; W142-L169 HydrophobicContact CH2-CB 3.89Å; W142-L169 VanDerWaalsContact CH2-O 3.29Å; W142-L169 WeakPolarHBondContact CH2-O 3.31Å; W142-L169 HydrophobicContact CZ3-CB 3.99Å; W142-A173 HydrophobicContact CH2-CB 4.1Å; W142-A173 HydrophobicContact CZ3-CB 4.47Å; W142-N178 HydrophobicContact CH2-CB 3.41Å; W142-N178 VanDerWaalsContact CH2-CB 3.41Å; W142-N178 HydrophobicContact CZ2-CB 3.81Å; W142-N178 HydrophobicContact CZ3-CB 3.79Å; W142-N178 WeakPolarHBondContact CZ3-OD1 3.27Å; W142-G180 PolarHBondContact NE1-O 3.03Å; W142-G183 VanDerWaalsContact CD1-C 3.48Å; W142-G183 PolarHBondContact NE1-O 3.49Å; W142-G184 WeakPolarHBondContact CB-O 3.17Å; W142-G184 VanDerWaalsContact CD1-N 3.34Å; W142-A189 HydrophobicContact CE3-CB 3.89Å; W142-A189 HydrophobicContact CZ3-CB 3.64Å; W142-A305 HydrophobicContact CB-CB 4.22Å
143	T	98.9	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-69.3	-41.2	177.8	70.7	0	0	0	0	111.4	S140 C141 S145 T146 T147 E166 L169 V170	S140-T143 PolarHBondContact O-N 3.24Å; S140-T143 PolarHBondContact O-OG1 2.83Å; C141-T143 VanDerWaalsContact C-N 3.27Å; C141-T143 PolarHBondContact O-N 3.36Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S145 PolarHBondContact O-N 2.85Å; T143-T146 WeakPolarHBondContact O-CB 3.45Å; T143-T146 PolarHBondContact O-N 3Å; T143-T147 WeakPolarHBondContact O-CG2 3Å; T143-T147 PolarHBondContact O-N 2.81Å; T143-T147 PolarHBondContact O-OG1 2.97Å; T143-E166 WeakPolarHBondContact OG1-CB 3.4Å; T143-L169 HydrophobicContact CG2-CB 3.54Å; T143-L169 HydrophobicContact CG2-CD1 4.32Å; T143-V170 HydrophobicContact CG2-CG2 3.83Å
144	F	98.9	Very high	98.7	Very high	20 Å²	20	10.1 Å²	10.1	9%	0.088	7%	0.069	C	C	.	.	H	α-helix	trans	-67.1	-33.2	176.5	-70.3	-87.6	0	0	0	112.9	K133 Q135 S140 C141 T147 G148 E166 Y207	K133-F144 HydrophobicContact CB-CD1 3.69Å; K133-F144 HydrophobicContact CB-CE1 3.46Å; K133-F144 VanDerWaalsContact CB-CE1 3.46Å; K133-F144 HydrophobicContact CD-CD1 3.95Å; K133-F144 HydrophobicContact CD-CE1 3.78Å; K133-F144 HydrophobicContact CG-CD1 4.41Å; K133-F144 HydrophobicContact CG-CE1 4.26Å; Q135-F144 HydrophobicContact CB-CD2 3.8Å; Q135-F144 HydrophobicContact CB-CE2 3.38Å; Q135-F144 HydrophobicContact CB-CZ 4.07Å; S140-F144 WeakPolarHBondContact O-CD2 3.35Å; C141-F144 PolarHBondContact O-N 2.82Å; F144-T147 WeakPolarHBondContact CA-OG1 3.46Å; F144-T147 PolarHBondContact O-OG1 3.46Å; F144-G148 PolarHBondContact O-N 3.26Å; F144-E166 HydrophobicContact CB-CG 4.47Å; F144-E166 HydrophobicContact CD1-CG 3.64Å; F144-E166 HydrophobicContact CD2-CG 4Å; F144-E166 HydrophobicContact CE1-CB 4.37Å; F144-E166 HydrophobicContact CE1-CG 3.67Å; F144-E166 HydrophobicContact CE2-CB 4.24Å; F144-E166 HydrophobicContact CE2-CG 4.02Å; F144-E166 HydrophobicContact CG-CG 3.81Å; F144-E166 HydrophobicContact CZ-CB 4.13Å; F144-E166 HydrophobicContact CZ-CG 3.87Å; F144-Y207 HydrophobicContact CE2-CD2 4.45Å; F144-Y207 HydrophobicContact CE2-CE1 4.24Å; F144-Y207 AromaticContact CE2-CE2 3.74Å; F144-Y207 HydrophobicContact CE2-CE2 3.74Å; F144-Y207 AromaticContact CE2-CZ 3.61Å; F144-Y207 HydrophobicContact CZ-CD1 4.13Å; F144-Y207 HydrophobicContact CZ-CD2 4.06Å; F144-Y207 AromaticContact CZ-CE1 3.84Å; F144-Y207 HydrophobicContact CZ-CE1 3.84Å; F144-Y207 AromaticContact CZ-CE2 3.76Å; F144-Y207 HydrophobicContact CZ-CE2 3.76Å; F144-Y207 HydrophobicContact CZ-CG 4.23Å; F144-Y207 AromaticContact CZ-CZ 3.63Å
145	S	98.9	Very high	98.7	Very high	3 Å²	3	6 Å²	6	2%	0.021	5%	0.047	C	C	.	.	H	α-helix	trans	-64.8	-48.5	170.7	-170.5	0	0	0	0	110.4	C141 W142 T143 G148 A149 S273 V306	C141-S145 PolarHBondContact O-N 2.84Å; W142-S145 PolarHBondContact O-N 3.23Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S145 PolarHBondContact O-N 2.85Å; S145-G148 PolarHBondContact O-N 3.2Å; S145-A149 PolarHBondContact O-N 3.34Å; S145-S273 PolarHBondContact O-OG 2.8Å; S145-S273 WeakPolarHBondContact OG-CB 3.21Å; S145-S273 PolarHBondContact OG-OG 2.85Å; S145-V306 PolarHBondContact OG-O 2.88Å
146	T	98.9	Very high	98.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59	-56	178.5	-56.2	0	0	0	0	112.1	W142 T143 G148 A149 L150 L169 P186 A189 F190 I193	W142-T146 PolarHBondContact O-N 2.97Å; W142-T146 PolarHBondContact O-OG1 3.43Å; T143-T146 WeakPolarHBondContact O-CB 3.45Å; T143-T146 PolarHBondContact O-N 3Å; T146-G148 VanDerWaalsContact C-N 3.33Å; T146-G148 PolarHBondContact O-N 3.06Å; T146-A149 PolarHBondContact O-N 2.91Å; T146-L150 PolarHBondContact O-N 3.38Å; T146-L169 HydrophobicContact CG2-CD1 3.68Å; T146-P186 WeakPolarHBondContact OG1-CA 3.13Å; T146-A189 HydrophobicContact CG2-CB 3.57Å; T146-A189 VanDerWaalsContact OG1-CB 3.32Å; T146-A189 WeakPolarHBondContact OG1-CB 3.43Å; T146-F190 HydrophobicContact CG2-CD1 3.55Å; T146-F190 HydrophobicContact CG2-CE1 3.39Å; T146-F190 HydrophobicContact CG2-CG 4.43Å; T146-F190 HydrophobicContact CG2-CZ 4.15Å; T146-F190 WeakPolarHBondContact O-CE1 3.32Å; T146-I193 HydrophobicContact CG2-CD1 3.85Å
147	T	98.9	Very high	98.8	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-61.1	-44.9	-180	52.6	0	0	0	0	110.3	T143 F144 A149 L150 E151 L164 E166 L169 I199	T143-T147 WeakPolarHBondContact O-CG2 3Å; T143-T147 PolarHBondContact O-N 2.81Å; T143-T147 PolarHBondContact O-OG1 2.97Å; F144-T147 WeakPolarHBondContact CA-OG1 3.46Å; F144-T147 PolarHBondContact O-OG1 3.46Å; T147-A149 VanDerWaalsContact C-N 3.34Å; T147-A149 PolarHBondContact O-N 3.46Å; T147-L150 PolarHBondContact O-N 3.48Å; T147-E151 WeakPolarHBondContact O-CB 3.36Å; T147-E151 WeakPolarHBondContact O-CG 3.21Å; T147-E151 PolarHBondContact O-N 3.36Å; T147-L164 HydrophobicContact CG2-CB 3.82Å; T147-E166 VanDerWaalsContact CB-OE1 3.31Å; T147-E166 WeakPolarHBondContact CB-OE1 3.31Å; T147-E166 HydrophobicContact CG2-CG 3.87Å; T147-E166 PolarHBondContact OG1-OE1 3.48Å; T147-L169 HydrophobicContact CG2-CD1 4.17Å; T147-I199 HydrophobicContact CG2-CD1 4.24Å
148	G	98.9	Very high	98.8	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-59	-40.6	178.6	0	0	0	0	0	113.7	F144 S145 T146 S152	F144-G148 PolarHBondContact O-N 3.26Å; S145-G148 PolarHBondContact O-N 3.2Å; T146-G148 VanDerWaalsContact C-N 3.33Å; T146-G148 PolarHBondContact O-N 3.06Å; G148-S152 WeakPolarHBondContact O-CB 3.36Å; G148-S152 PolarHBondContact O-N 3.13Å; G148-S152 VanDerWaalsContact O-N 3.13Å; G148-S152 PolarHBondContact O-OG 3.12Å
149	A	98.9	Very high	98.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.5	-46.1	175.6	0	0	0	0	0	111.9	S145 T146 T147 S152 A153 F190 L307 P354	S145-A149 PolarHBondContact O-N 3.34Å; T146-A149 PolarHBondContact O-N 2.91Å; T147-A149 VanDerWaalsContact C-N 3.34Å; T147-A149 PolarHBondContact O-N 3.46Å; A149-S152 PolarHBondContact O-N 3.16Å; A149-A153 WeakPolarHBondContact O-CB 3.4Å; A149-A153 PolarHBondContact O-N 3.34Å; A149-F190 HydrophobicContact CB-CE1 4.21Å; A149-F190 HydrophobicContact CB-CZ 3.74Å; A149-L307 HydrophobicContact CB-CD1 3.64Å; A149-P354 HydrophobicContact CB-CG 4.32Å
150	L	98.9	Very high	98.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.1	-41.6	-179.1	-176.4	56.5	0	0	0	112.4	T146 T147 S152 A153 I154 L164 I193 I199 V225 P354 P356	T146-L150 PolarHBondContact O-N 3.38Å; T147-L150 PolarHBondContact O-N 3.48Å; L150-S152 VanDerWaalsContact C-N 3.29Å; L150-S152 PolarHBondContact O-N 3.43Å; L150-A153 PolarHBondContact O-N 3.39Å; L150-I154 HydrophobicContact CD1-CD1 4Å; L150-I154 HydrophobicContact CD1-CG1 4.16Å; L150-I154 HydrophobicContact CG-CD1 3.91Å; L150-I154 HydrophobicContact CG-CG1 4.5Å; L150-I154 WeakPolarHBondContact O-CB 3.37Å; L150-I154 VanDerWaalsContact O-CG1 3.29Å; L150-I154 WeakPolarHBondContact O-CG1 2.95Å; L150-I154 PolarHBondContact O-N 2.81Å; L150-L164 HydrophobicContact CB-CD1 3.93Å; L150-L164 HydrophobicContact CD2-CD1 3.67Å; L150-L164 HydrophobicContact CG-CD1 3.7Å; L150-I193 HydrophobicContact CD2-CD1 3.92Å; L150-I193 HydrophobicContact CD2-CG2 4.25Å; L150-I199 HydrophobicContact CD2-CG2 3.86Å; L150-V225 HydrophobicContact CD1-CG2 3.93Å; L150-V225 HydrophobicContact CD2-CG2 3.86Å; L150-P354 HydrophobicContact CB-CG 3.99Å; L150-P354 HydrophobicContact CD1-CB 4.12Å; L150-P354 HydrophobicContact CD1-CG 3.96Å; L150-P356 HydrophobicContact CD1-CB 4.17Å
151	E	98.9	Very high	98.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-55.1	-46.9	171.9	-73.6	166.5	173.2	0	0	110.5	S130 K133 T147 A155 M161 L162 S163 L164	S130-E151 WeakPolarHBondContact CB-OE2 3.44Å; S130-E151 PolarHBondContact OG-OE2 2.64Å; K133-E151 IonicContact NZ-OE1 3.54Å; K133-E151 PolarHBondContact NZ-OE1 3.38Å; T147-E151 WeakPolarHBondContact O-CB 3.36Å; T147-E151 WeakPolarHBondContact O-CG 3.21Å; T147-E151 PolarHBondContact O-N 3.36Å; E151-A155 VanDerWaalsContact O-CB 3.29Å; E151-A155 WeakPolarHBondContact O-CB 3.48Å; E151-A155 PolarHBondContact O-N 3.39Å; E151-M161 HydrophobicContact CB-SD 4.37Å; E151-L162 WeakPolarHBondContact CG-O 3.35Å; E151-S163 WeakPolarHBondContact OE1-CA 3.49Å; E151-L164 HydrophobicContact CG-CB 4.26Å; E151-L164 HydrophobicContact CG-CD1 3.94Å; E151-L164 HydrophobicContact CG-CG 3.75Å; E151-L164 PolarHBondContact OE1-N 2.81Å
152	S	98.9	Very high	98.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-45.6	178.5	-55.6	0	0	0	0	111.4	F128 G148 A149 L150 I154 A155 I156	F128-S152 VanDerWaalsContact O-CA 3.29Å; F128-S152 WeakPolarHBondContact O-CA 3.44Å; F128-S152 WeakPolarHBondContact O-CB 3.32Å; F128-S152 PolarHBondContact O-OG 3.35Å; G148-S152 WeakPolarHBondContact O-CB 3.36Å; G148-S152 PolarHBondContact O-N 3.13Å; G148-S152 VanDerWaalsContact O-N 3.13Å; G148-S152 PolarHBondContact O-OG 3.12Å; A149-S152 PolarHBondContact O-N 3.16Å; L150-S152 VanDerWaalsContact C-N 3.29Å; L150-S152 PolarHBondContact O-N 3.43Å; S152-I154 PolarHBondContact O-N 2.78Å; S152-A155 PolarHBondContact O-N 2.92Å; S152-I156 WeakPolarHBondContact O-CB 3.44Å; S152-I156 WeakPolarHBondContact O-CD1 3.44Å; S152-I156 WeakPolarHBondContact O-CG1 3.35Å; S152-I156 PolarHBondContact O-N 3.26Å
153	A	98.8	Very high	98.7	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.033	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-43	179.7	0	0	0	0	0	112.2	A149 L150 I156 A157 P354 P356	A149-A153 WeakPolarHBondContact O-CB 3.4Å; A149-A153 PolarHBondContact O-N 3.34Å; L150-A153 PolarHBondContact O-N 3.39Å; A153-I156 PolarHBondContact O-N 3.36Å; A153-A157 WeakPolarHBondContact O-CB 3.12Å; A153-A157 PolarHBondContact O-N 3.4Å; A153-P354 HydrophobicContact CB-CG 4.45Å; A153-P356 HydrophobicContact CB-CB 4.35Å; A153-P356 HydrophobicContact CB-CG 3.96Å
154	I	98.8	Very high	98.7	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-45.5	174.6	-67.7	167.5	0	0	0	110.5	L150 S152 I156 A157 T158 L162 P356 V358	L150-I154 HydrophobicContact CD1-CD1 4Å; L150-I154 HydrophobicContact CD1-CG1 4.16Å; L150-I154 HydrophobicContact CG-CD1 3.91Å; L150-I154 HydrophobicContact CG-CG1 4.5Å; L150-I154 WeakPolarHBondContact O-CB 3.37Å; L150-I154 VanDerWaalsContact O-CG1 3.29Å; L150-I154 WeakPolarHBondContact O-CG1 2.95Å; L150-I154 PolarHBondContact O-N 2.81Å; S152-I154 PolarHBondContact O-N 2.78Å; I154-I156 VanDerWaalsContact C-N 3.33Å; I154-I156 PolarHBondContact O-N 3.39Å; I154-A157 PolarHBondContact O-N 2.89Å; I154-T158 WeakPolarHBondContact O-CB 3.29Å; I154-T158 PolarHBondContact O-N 3.48Å; I154-T158 PolarHBondContact O-OG1 3.37Å; I154-L162 HydrophobicContact CD1-CD1 4.07Å; I154-L162 HydrophobicContact CG2-CD1 4.07Å; I154-L162 HydrophobicContact CG2-CG 4.4Å; I154-P356 HydrophobicContact CG1-CB 3.85Å; I154-V358 HydrophobicContact CG1-CG1 4.15Å; I154-V358 HydrophobicContact CG2-CG1 4.33Å
155	A	98.8	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-39.3	179.3	0	0	0	0	0	112.2	F128 E151 S152 G159 K160 M161	F128-A155 HydrophobicContact CD1-CB 4.11Å; F128-A155 WeakPolarHBondContact CE1-O 3.32Å; E151-A155 VanDerWaalsContact O-CB 3.29Å; E151-A155 WeakPolarHBondContact O-CB 3.48Å; E151-A155 PolarHBondContact O-N 3.39Å; S152-A155 PolarHBondContact O-N 2.92Å; A155-G159 WeakPolarHBondContact O-CA 3.18Å; A155-G159 PolarHBondContact O-N 2.63Å; A155-K160 WeakPolarHBondContact CA-O 3.47Å; A155-M161 HydrophobicContact CB-CE 3.64Å; A155-M161 HydrophobicContact CB-SD 4.46Å
156	I	98.8	Very high	98.7	Very high	50 Å²	50	24.3 Å²	24.3	26%	0.256	15%	0.152	S	C	.	.	H	α-helix	trans	-65.3	-43.4	176.1	-68.8	162.3	0	0	0	110.9	W122 F128 S152 A153 I154 N270	W122-I156 HydrophobicContact CD2-CD1 4.07Å; W122-I156 HydrophobicContact CE3-CD1 3.59Å; W122-I156 HydrophobicContact CE3-CG1 3.93Å; W122-I156 HydrophobicContact CH2-CD1 3.67Å; W122-I156 HydrophobicContact CH2-CG1 4.2Å; W122-I156 HydrophobicContact CH2-CG2 4.29Å; W122-I156 HydrophobicContact CZ2-CD1 4.14Å; W122-I156 HydrophobicContact CZ3-CD1 3.38Å; W122-I156 HydrophobicContact CZ3-CG1 3.56Å; W122-I156 HydrophobicContact CZ3-CG2 4.21Å; F128-I156 HydrophobicContact CB-CG1 3.98Å; F128-I156 HydrophobicContact CD1-CB 4.36Å; F128-I156 HydrophobicContact CD1-CG1 3.69Å; F128-I156 HydrophobicContact CD2-CG1 4.39Å; F128-I156 HydrophobicContact CE1-CG1 4.25Å; F128-I156 HydrophobicContact CG-CG1 3.78Å; S152-I156 WeakPolarHBondContact O-CB 3.44Å; S152-I156 WeakPolarHBondContact O-CD1 3.44Å; S152-I156 WeakPolarHBondContact O-CG1 3.35Å; S152-I156 PolarHBondContact O-N 3.26Å; A153-I156 PolarHBondContact O-N 3.36Å; I154-I156 VanDerWaalsContact C-N 3.33Å; I154-I156 PolarHBondContact O-N 3.39Å; I156-N270 HydrophobicContact CD1-CB 3.86Å
157	A	98.5	Very high	98.7	Very high	60 Å²	60	24.4 Å²	24.4	50%	0.496	15%	0.152	S	C	.	.	H	α-helix	trans	-76.1	-32.1	-176.4	0	0	0	0	0	113.7	A153 I154 P356 V358	A153-A157 WeakPolarHBondContact O-CB 3.12Å; A153-A157 PolarHBondContact O-N 3.4Å; I154-A157 PolarHBondContact O-N 2.89Å; A157-P356 HydrophobicContact CB-CG 4.3Å; A157-V358 HydrophobicContact CB-CG2 3.93Å
158	T	98.4	Very high	98.7	Very high	65 Å²	65	24.3 Å²	24.3	40%	0.399	15%	0.152	S	C	.	.	H	α-helix	trans	-121.6	-13.5	-168.9	68.3	0	0	0	0	114.6	I154 K160 V358	I154-T158 WeakPolarHBondContact O-CB 3.29Å; I154-T158 PolarHBondContact O-N 3.48Å; I154-T158 PolarHBondContact O-OG1 3.37Å; T158-K160 PolarHBondContact O-N 3.44Å; T158-K160 WeakPolarHBondContact OG1-CB 3.46Å; T158-K160 PolarHBondContact OG1-N 2.86Å; T158-K160 VanDerWaalsContact OG1-N 3.14Å; T158-V358 HydrophobicContact CG2-CB 3.52Å; T158-V358 HydrophobicContact CG2-CG1 3.6Å; T158-V358 HydrophobicContact CG2-CG2 3.94Å
159	G	98.1	Very high	98.7	Very high	62 Å²	62	24.3 Å²	24.3	64%	0.639	15%	0.152	S	C	*	.	S	Bend	trans	75.7	-1.5	-169.2	0	0	0	0	0	114.7	A155	A155-G159 WeakPolarHBondContact O-CA 3.18Å; A155-G159 PolarHBondContact O-N 2.63Å
160	K	98.1	Very high	98.7	Very high	137 Å²	137	24.4 Å²	24.4	60%	0.596	15%	0.152	S	C	*	.			trans	-98.4	114.1	-178.1	-169.9	-177.5	-177.9	-172.1	0	111.6	A155 T158 L162	A155-K160 WeakPolarHBondContact CA-O 3.47Å; T158-K160 PolarHBondContact O-N 3.44Å; T158-K160 WeakPolarHBondContact OG1-CB 3.46Å; T158-K160 PolarHBondContact OG1-N 2.86Å; T158-K160 VanDerWaalsContact OG1-N 3.14Å; K160-L162 HydrophobicContact CD-CD2 3.83Å; K160-L162 HydrophobicContact CG-CD2 3.97Å
161	M	98.5	Very high	98.7	Very high	46 Å²	46	24.8 Å²	24.8	23%	0.227	15%	0.154	C	C	.	.			trans	-81.1	122.2	171.4	-179.3	55.8	65	0	0	110.3	N127 F128 E151 A155	N127-M161 WeakPolarHBondContact O-CE 3.34Å; F128-M161 VanDerWaalsContact C-CE 3.44Å; E151-M161 HydrophobicContact CB-SD 4.37Å; A155-M161 HydrophobicContact CB-CE 3.64Å; A155-M161 HydrophobicContact CB-SD 4.46Å
162	L	98.3	Very high	98.7	Very high	21 Å²	21	25.3 Å²	25.3	11%	0.11	16%	0.158	C	C	.	.			trans	-106.2	165.9	174.4	-58.3	-178.5	0	0	0	110.5	E151 I154 K160 L164 I222	E151-L162 WeakPolarHBondContact CG-O 3.35Å; I154-L162 HydrophobicContact CD1-CD1 4.07Å; I154-L162 HydrophobicContact CG2-CD1 4.07Å; I154-L162 HydrophobicContact CG2-CG 4.4Å; K160-L162 HydrophobicContact CD-CD2 3.83Å; K160-L162 HydrophobicContact CG-CD2 3.97Å; L162-L164 HydrophobicContact CB-CD2 4.19Å; L162-L164 HydrophobicContact CD1-CD2 4.19Å; L162-I222 HydrophobicContact CD1-CD1 4.34Å; L162-I222 HydrophobicContact CD1-CG1 4.35Å; L162-I222 WeakPolarHBondContact CD1-O 3.42Å; L162-I222 HydrophobicContact CD2-CD1 4.46Å
163	S	98.8	Very high	98.7	Very high	52 Å²	52	25.3 Å²	25.3	36%	0.364	16%	0.158	S	C	.	.			trans	-122.1	109.5	162.6	-176.7	0	0	0	0	108	K133 E151 G201 E202	K133-S163 WeakPolarHBondContact CE-OG 3.41Å; K133-S163 PolarHBondContact NZ-OG 2.04Å; K133-S163 VanDerWaalsContact NZ-OG 3.17Å; E151-S163 WeakPolarHBondContact OE1-CA 3.49Å; S163-G201 WeakPolarHBondContact O-CA 3.47Å; S163-E202 PolarHBondContact O-N 3.16Å
164	L	98.9	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-90	154.8	-175.4	-58.5	178.2	0	0	0	110.9	K133 T147 L150 E151 L162 E166 I199 I222	K133-L164 PolarHBondContact NZ-O 3.33Å; K133-L164 VanDerWaalsContact NZ-O 3.16Å; T147-L164 HydrophobicContact CG2-CB 3.82Å; L150-L164 HydrophobicContact CB-CD1 3.93Å; L150-L164 HydrophobicContact CD2-CD1 3.67Å; L150-L164 HydrophobicContact CG-CD1 3.7Å; E151-L164 HydrophobicContact CG-CB 4.26Å; E151-L164 HydrophobicContact CG-CD1 3.94Å; E151-L164 HydrophobicContact CG-CG 3.75Å; E151-L164 PolarHBondContact OE1-N 2.81Å; L162-L164 HydrophobicContact CB-CD2 4.19Å; L162-L164 HydrophobicContact CD1-CD2 4.19Å; L164-E166 PolarHBondContact O-N 3.37Å; L164-I199 HydrophobicContact CB-CD1 4.39Å; L164-I199 HydrophobicContact CD1-CG2 3.96Å; L164-I199 HydrophobicContact CD2-CG2 4.19Å; L164-I199 HydrophobicContact CG-CG2 4.48Å; L164-I222 HydrophobicContact CD2-CD1 4.17Å; L164-I222 HydrophobicContact CD2-CG1 3.85Å
165	A	98.9	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.			trans	-81.9	99.8	-173.3	0	0	0	0	0	112.7	Q167 Q168 M200 Y205	A165-Q167 PolarHBondContact O-N 3.32Å; A165-Q168 HydrophobicContact CB-CB 4.17Å; A165-Q168 PolarHBondContact O-N 2.8Å; A165-M200 HydrophobicContact CB-CB 4.49Å; A165-M200 WeakPolarHBondContact CB-O 3.25Å; A165-M200 PolarHBondContact N-O 2.65Å; A165-Y205 HydrophobicContact CB-CG 4.32Å; A165-Y205 WeakPolarHBondContact CB-O 3.33Å
166	E	98.9	Very high	98.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-57.2	-33.2	171.2	-75.3	85.5	-166.2	0	0	112.5	K133 T143 F144 T147 L164 Q168 L169 V170 Y207	K133-E166 WeakPolarHBondContact CD-OE1 3.48Å; K133-E166 IonicContact NZ-OE1 3.45Å; K133-E166 PolarHBondContact NZ-OE1 3.01Å; K133-E166 IonicContact NZ-OE2 3.54Å; K133-E166 PolarHBondContact NZ-OE2 2.88Å; T143-E166 WeakPolarHBondContact OG1-CB 3.4Å; F144-E166 HydrophobicContact CB-CG 4.47Å; F144-E166 HydrophobicContact CD1-CG 3.64Å; F144-E166 HydrophobicContact CD2-CG 4Å; F144-E166 HydrophobicContact CE1-CB 4.37Å; F144-E166 HydrophobicContact CE1-CG 3.67Å; F144-E166 HydrophobicContact CE2-CB 4.24Å; F144-E166 HydrophobicContact CE2-CG 4.02Å; F144-E166 HydrophobicContact CG-CG 3.81Å; F144-E166 HydrophobicContact CZ-CB 4.13Å; F144-E166 HydrophobicContact CZ-CG 3.87Å; T147-E166 VanDerWaalsContact CB-OE1 3.31Å; T147-E166 WeakPolarHBondContact CB-OE1 3.31Å; T147-E166 HydrophobicContact CG2-CG 3.87Å; T147-E166 PolarHBondContact OG1-OE1 3.48Å; L164-E166 PolarHBondContact O-N 3.37Å; E166-Q168 VanDerWaalsContact C-N 3.33Å; E166-Q168 PolarHBondContact O-N 3.01Å; E166-L169 WeakPolarHBondContact O-CB 3.44Å; E166-L169 PolarHBondContact O-N 2.99Å; E166-L169 VanDerWaalsContact O-N 3.16Å; E166-V170 PolarHBondContact O-N 2.73Å; E166-V170 VanDerWaalsContact O-N 3.13Å; E166-Y207 HydrophobicContact CB-CD2 3.73Å; E166-Y207 HydrophobicContact CB-CE2 4.04Å
167	Q	98.9	Very high	98.4	Very high	2 Å²	2	41 Å²	41	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-31.8	-177.9	-163.9	63.2	48.4	0	0	113.1	A165 L169 V170 D171 Y205 Y207 Q208 K210	A165-Q167 PolarHBondContact O-N 3.32Å; Q167-L169 PolarHBondContact O-N 2.7Å; Q167-V170 PolarHBondContact O-N 3.32Å; Q167-D171 PolarHBondContact NE2-OD1 3.48Å; Q167-D171 WeakPolarHBondContact O-CB 3.42Å; Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 3.12Å; Q167-Y205 HydrophobicContact CB-CD1 3.71Å; Q167-Y205 HydrophobicContact CB-CE1 3.78Å; Q167-Y205 HydrophobicContact CG-CD1 3.88Å; Q167-Y205 HydrophobicContact CG-CE1 3.5Å; Q167-Y207 HydrophobicContact CB-CD2 4.3Å; Q167-Q208 HydrophobicContact CG-CG 4.29Å; Q167-K210 PolarHBondContact NE2-O 2.89Å
168	Q	98.9	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-41.3	173.8	-177.5	-175.7	-38.8	0	0	110.5	A165 E166 D171 C172 Y192 N196 G198 Y205 F216	A165-Q168 HydrophobicContact CB-CB 4.17Å; A165-Q168 PolarHBondContact O-N 2.8Å; E166-Q168 VanDerWaalsContact C-N 3.33Å; E166-Q168 PolarHBondContact O-N 3.01Å; Q168-D171 PolarHBondContact O-N 2.79Å; Q168-C172 HydrophobicContact CG-CB 4.38Å; Q168-C172 WeakPolarHBondContact O-CB 3.49Å; Q168-C172 PolarHBondContact O-N 2.91Å; Q168-C172 PolarHBondContact O-SG 3.36Å; Q168-C172 VanDerWaalsContact O-SG 3.4Å; Q168-Y192 HydrophobicContact CG-CE1 4.47Å; Q168-Y192 PolarHBondContact NE2-OH 3.43Å; Q168-N196 PolarHBondContact NE2-ND2 3.17Å; Q168-G198 PolarHBondContact NE2-O 3.27Å; Q168-Y205 HydrophobicContact CB-CD2 3.76Å; Q168-Y205 HydrophobicContact CB-CE2 3.86Å; Q168-Y205 HydrophobicContact CB-CG 4.32Å; Q168-Y205 HydrophobicContact CG-CD2 4.21Å; Q168-Y205 HydrophobicContact CG-CE2 4.09Å; Q168-F216 VanDerWaalsContact CD-CD2 3.48Å; Q168-F216 HydrophobicContact CG-CD2 4.45Å; Q168-F216 VanDerWaalsContact NE2-CD2 3.29Å
169	L	98.9	Very high	98.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-43.1	177.7	-61.1	178.6	0	0	0	111.3	W142 T143 T146 T147 E166 Q167 D171 A173 A189 Y192 I193 I199	W142-L169 HydrophobicContact CH2-CB 3.89Å; W142-L169 VanDerWaalsContact CH2-O 3.29Å; W142-L169 WeakPolarHBondContact CH2-O 3.31Å; W142-L169 HydrophobicContact CZ3-CB 3.99Å; T143-L169 HydrophobicContact CG2-CB 3.54Å; T143-L169 HydrophobicContact CG2-CD1 4.32Å; T146-L169 HydrophobicContact CG2-CD1 3.68Å; T147-L169 HydrophobicContact CG2-CD1 4.17Å; E166-L169 WeakPolarHBondContact O-CB 3.44Å; E166-L169 PolarHBondContact O-N 2.99Å; E166-L169 VanDerWaalsContact O-N 3.16Å; Q167-L169 PolarHBondContact O-N 2.7Å; L169-D171 VanDerWaalsContact C-N 3.27Å; L169-D171 PolarHBondContact O-N 2.84Å; L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 2.9Å; L169-A189 HydrophobicContact CD1-CB 4.4Å; L169-A189 HydrophobicContact CD2-CB 4.4Å; L169-Y192 HydrophobicContact CD2-CD1 3.51Å; L169-Y192 HydrophobicContact CD2-CE1 3.71Å; L169-I193 HydrophobicContact CD2-CD1 4.14Å; L169-I193 HydrophobicContact CD2-CG1 4.01Å; L169-I199 HydrophobicContact CD1-CD1 4.13Å; L169-I199 HydrophobicContact CD2-CD1 3.98Å; L169-I199 HydrophobicContact CG-CD1 3.85Å
170	V	98.9	Very high	98.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-55.8	-45.2	174.7	173.9	0	0	0	0	111	T143 E166 Q167 Q174 G180 Y207	T143-V170 HydrophobicContact CG2-CG2 3.83Å; E166-V170 PolarHBondContact O-N 2.73Å; E166-V170 VanDerWaalsContact O-N 3.13Å; Q167-V170 PolarHBondContact O-N 3.32Å; V170-Q174 PolarHBondContact O-NE2 2.92Å; V170-G180 WeakPolarHBondContact O-CA 3.44Å; V170-Y207 HydrophobicContact CG2-CE2 4.41Å
171	D	98.9	Very high	98.3	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.043	16%	0.158	C	C	.	.	H	α-helix	trans	-89.4	-24.2	-169	-65.5	-9.7	0	0	0	114.2	Q167 Q168 L169 Q174 Y205 G212	Q167-D171 PolarHBondContact NE2-OD1 3.48Å; Q167-D171 WeakPolarHBondContact O-CB 3.42Å; Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 3.12Å; Q168-D171 PolarHBondContact O-N 2.79Å; L169-D171 VanDerWaalsContact C-N 3.27Å; L169-D171 PolarHBondContact O-N 2.84Å; D171-Q174 PolarHBondContact O-NE2 2.99Å; D171-Q174 PolarHBondContact O-OE1 3.04Å; D171-Y205 WeakPolarHBondContact CB-OH 3.42Å; D171-Y205 WeakPolarHBondContact OD2-CE1 3.43Å; D171-Y205 PolarHBondContact OD2-OH 3.42Å; D171-G212 WeakPolarHBondContact OD1-CA 3.22Å; D171-G212 PolarHBondContact OD1-N 2.9Å
172	C	98.8	Very high	98.3	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.088	17%	0.17	C	C	.	.	H	α-helix	trans	-124.5	-10.9	-165.1	-54.8	0	0	0	0	116.3	Q168 Q174 Y192 C214	Q168-C172 HydrophobicContact CG-CB 4.38Å; Q168-C172 WeakPolarHBondContact O-CB 3.49Å; Q168-C172 PolarHBondContact O-N 2.91Å; Q168-C172 PolarHBondContact O-SG 3.36Å; Q168-C172 VanDerWaalsContact O-SG 3.4Å; C172-Q174 VanDerWaalsContact CA-OE1 3.3Å; C172-Q174 PolarHBondContact O-N 3.08Å; C172-Q174 PolarHBondContact O-OE1 3.2Å; C172-Y192 HydrophobicContact CB-CE2 4.05Å; C172-Y192 WeakPolarHBondContact CB-OH 3.44Å; C172-Y192 VanDerWaalsContact O-CE2 3.29Å; C172-Y192 WeakPolarHBondContact O-CE2 3.46Å; C172-C214 HydrophobicContact CB-CB 3.93Å; C172-C214 WeakPolarHBondContact CB-SG 3.37Å; C172-C214 WeakPolarHBondContact SG-CA 3.27Å; C172-C214 WeakPolarHBondContact SG-CB 3.35Å; C172-C214 CovalentContact SG-SG 2.04Å; C172-C214 PolarHBondContact SG-SG 3.46Å
173	A	98.6	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.			trans	-93.8	18.2	-168.5	0	0	0	0	0	114.8	W142 L169 D175 F176 N178 Y192	W142-A173 HydrophobicContact CH2-CB 4.1Å; W142-A173 HydrophobicContact CZ3-CB 4.47Å; L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 2.9Å; A173-D175 PolarHBondContact O-N 3.04Å; A173-F176 PolarHBondContact O-N 2.89Å; A173-N178 HydrophobicContact CB-CB 4.25Å; A173-N178 WeakPolarHBondContact O-CB 3.33Å; A173-N178 PolarHBondContact O-ND2 3.15Å; A173-Y192 HydrophobicContact CB-CD1 3.84Å; A173-Y192 HydrophobicContact CB-CD2 4.01Å; A173-Y192 HydrophobicContact CB-CE1 4.35Å; A173-Y192 HydrophobicContact CB-CG 3.65Å
174	Q	98.2	Very high	98.3	Very high	85 Å²	85	29 Å²	29	40%	0.397	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-69.6	-31.6	-170.7	-60.6	82	-0.7	0	0	113.4	V170 D171 C172 F176 N177 N178	V170-Q174 PolarHBondContact O-NE2 2.92Å; D171-Q174 PolarHBondContact O-NE2 2.99Å; D171-Q174 PolarHBondContact O-OE1 3.04Å; C172-Q174 VanDerWaalsContact CA-OE1 3.3Å; C172-Q174 PolarHBondContact O-N 3.08Å; C172-Q174 PolarHBondContact O-OE1 3.2Å; Q174-F176 PolarHBondContact O-N 2.88Å; Q174-N177 PolarHBondContact O-N 2.97Å; Q174-N178 VanDerWaalsContact CA-O 3.32Å; Q174-N178 WeakPolarHBondContact CA-O 3.34Å
175	D	97.9	Very high	98.2	Very high	151 Å²	151	29.1 Å²	29.1	81%	0.807	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-61.5	-13.9	176	-67.7	-16.2	0	0	0	113.2	A173	A173-D175 PolarHBondContact O-N 3.04Å
176	F	96.4	Very high	98.2	Very high	52 Å²	52	29.2 Å²	29.2	23%	0.228	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-103.2	20	177.9	-68.8	-97.4	0	0	0	112.8	A173 Q174 Q188 E191 Y192 Y195	A173-F176 PolarHBondContact O-N 2.89Å; Q174-F176 PolarHBondContact O-N 2.88Å; F176-Q188 HydrophobicContact CB-CB 4.46Å; F176-Q188 WeakPolarHBondContact O-CB 3.47Å; F176-Q188 VanDerWaalsContact O-CD 3.29Å; F176-Q188 WeakPolarHBondContact O-CG 3.41Å; F176-E191 HydrophobicContact CD1-CB 3.72Å; F176-E191 HydrophobicContact CE1-CB 3.89Å; F176-Y192 AromaticContact CD2-CD2 3.96Å; F176-Y192 HydrophobicContact CD2-CD2 3.96Å; F176-Y192 HydrophobicContact CD2-CG 4.29Å; F176-Y192 HydrophobicContact CE2-CD2 4.09Å; F176-Y195 AromaticContact CE1-CD2 3.57Å; F176-Y195 HydrophobicContact CE1-CD2 3.57Å; F176-Y195 HydrophobicContact CE1-CE2 4.28Å; F176-Y195 HydrophobicContact CE1-CG 4.27Å; F176-Y195 AromaticContact CZ-CD2 3.76Å; F176-Y195 HydrophobicContact CZ-CD2 3.76Å; F176-Y195 AromaticContact CZ-CG 3.98Å; F176-Y195 HydrophobicContact CZ-CG 3.98Å
177	N	96	Very high	98	Very high	103 Å²	103	29.3 Å²	29.3	55%	0.551	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	36	-176.2	-56.3	-61.4	0	0	0	113.9	Q174 H179 Q188	Q174-N177 PolarHBondContact O-N 2.97Å; N177-H179 PolarHBondContact O-CE1 2.95Å; N177-H179 PolarHBondContact O-ND1 3.09Å; N177-Q188 PolarHBondContact O-OE1 2.89Å
178	N	97.6	Very high	97.9	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.011	15%	0.154	C	C	.	.			trans	-100.4	152.5	165.5	-55.8	-73.7	0	0	0	110	W142 A173 Q174 G184 L185	W142-N178 HydrophobicContact CH2-CB 3.41Å; W142-N178 VanDerWaalsContact CH2-CB 3.41Å; W142-N178 HydrophobicContact CZ2-CB 3.81Å; W142-N178 HydrophobicContact CZ3-CB 3.79Å; W142-N178 WeakPolarHBondContact CZ3-OD1 3.27Å; A173-N178 HydrophobicContact CB-CB 4.25Å; A173-N178 WeakPolarHBondContact O-CB 3.33Å; A173-N178 PolarHBondContact O-ND2 3.15Å; Q174-N178 VanDerWaalsContact CA-O 3.32Å; Q174-N178 WeakPolarHBondContact CA-O 3.34Å; N178-G184 WeakPolarHBondContact OD1-CA 3.15Å; N178-L185 PolarHBondContact OD1-N 3.09Å; N178-L185 PolarHBondContact OD1-O 2.87Å
179	H	98.1	Very high	97.9	Very high	66 Å²	66	30.3 Å²	30.3	31%	0.306	15%	0.154	S	C	.	.			trans	-128.3	33.3	-166.3	-50.4	95.2	0	0	0	111.8	E98 Q100 N177 C181 Q182 G183	E98-H179 IonicContact OE1-CD2 3.32Å; E98-H179 IonicContact OE1-CE1 2.65Å; E98-H179 IonicContact OE1-CG 2.66Å; E98-H179 IonicContact OE1-ND1 2.86Å; Q100-H179 PolarHBondContact OE1-ND1 2.86Å; Q100-H179 VanDerWaalsContact OE1-ND1 3.07Å; N177-H179 PolarHBondContact O-CE1 2.95Å; N177-H179 PolarHBondContact O-ND1 3.09Å; H179-C181 PolarHBondContact O-N 3.5Å; H179-Q182 HydrophobicContact CB-CB 3.91Å; H179-Q182 VanDerWaalsContact O-CB 3.27Å; H179-Q182 WeakPolarHBondContact O-CB 3.22Å; H179-Q182 PolarHBondContact O-N 3.34Å; H179-G183 CarbonylContact C-O 3.47Å; H179-G183 WeakPolarHBondContact CA-O 3.49Å; H179-G183 WeakPolarHBondContact CB-O 3.34Å; H179-G183 PolarHBondContact N-O 2.94Å
180	G	98.4	Very high	97.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	56.8	-122.5	176.9	0	0	0	0	0	112.8	W142 V170 Q182 D211	W142-G180 PolarHBondContact NE1-O 3.03Å; V170-G180 WeakPolarHBondContact O-CA 3.44Å; G180-Q182 PolarHBondContact O-N 2.02Å; G180-D211 WeakPolarHBondContact CA-OD1 3.44Å
181	C	98.5	Very high	97.8	Very high	22 Å²	22	32.8 Å²	32.8	15%	0.149	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-72.7	-7.3	176.2	-72.7	0	0	0	0	115.1	C138 G139 H179 K210 D211	C138-C181 HydrophobicContact CB-CB 3.99Å; C138-C181 WeakPolarHBondContact CB-SG 3.39Å; C138-C181 WeakPolarHBondContact SG-CA 3.18Å; C138-C181 WeakPolarHBondContact SG-CB 3.35Å; C138-C181 CovalentContact SG-SG 2.03Å; C138-C181 PolarHBondContact SG-SG 2.87Å; G139-C181 CarbonylContact C-O 3.12Å; G139-C181 WeakPolarHBondContact CA-O 3.49Å; G139-C181 PolarHBondContact N-O 3.16Å; H179-C181 PolarHBondContact O-N 3.5Å; C181-K210 VanDerWaalsContact SG-CA 3.55Å; C181-D211 PolarHBondContact N-OD1 2.92Å
182	Q	98.3	Very high	97.8	Very high	101 Å²	101	32.8 Å²	32.8	47%	0.472	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-87.7	-19.7	178.9	-63.2	176	22.5	0	0	112.7	W96 S97 H179 G180	W96-Q182 VanDerWaalsContact CA-O 3.29Å; W96-Q182 WeakPolarHBondContact CA-O 3.25Å; S97-Q182 PolarHBondContact N-O 2.91Å; S97-Q182 VanDerWaalsContact OG-CB 3.28Å; S97-Q182 WeakPolarHBondContact OG-CB 3.32Å; S97-Q182 PolarHBondContact OG-O 3.31Å; H179-Q182 HydrophobicContact CB-CB 3.91Å; H179-Q182 VanDerWaalsContact O-CB 3.27Å; H179-Q182 WeakPolarHBondContact O-CB 3.22Å; H179-Q182 PolarHBondContact O-N 3.34Å; G180-Q182 PolarHBondContact O-N 2.02Å
183	G	98.1	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.			trans	141	177.8	176.8	0	0	0	0	0	112.8	W142 H179	W142-G183 VanDerWaalsContact CD1-C 3.48Å; W142-G183 PolarHBondContact NE1-O 3.49Å; H179-G183 CarbonylContact C-O 3.47Å; H179-G183 WeakPolarHBondContact CA-O 3.49Å; H179-G183 WeakPolarHBondContact CB-O 3.34Å; H179-G183 PolarHBondContact N-O 2.94Å
184	G	97.7	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.			trans	171.1	177.3	180	0	0	0	0	0	110.1	W96 W142 N178	W96-G184 WeakPolarHBondContact CH2-O 3.43Å; W96-G184 WeakPolarHBondContact CZ2-O 3.36Å; W142-G184 WeakPolarHBondContact CB-O 3.17Å; W142-G184 VanDerWaalsContact CD1-N 3.34Å; N178-G184 WeakPolarHBondContact OD1-CA 3.15Å
185	L	97.4	Very high	97.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.177	C	C	.	.			trans	-124.3	142.2	-179.8	-68.9	168.1	0	0	0	112.2	W96 Q100 C102 N178 S187 Q188 A189	W96-L185 HydrophobicContact CH2-CD2 3.75Å; W96-L185 HydrophobicContact CZ3-CD2 4.12Å; Q100-L185 HydrophobicContact CB-CD1 4Å; Q100-L185 HydrophobicContact CB-CD2 4Å; Q100-L185 HydrophobicContact CB-CG 3.79Å; C102-L185 HydrophobicContact CB-CD1 4.5Å; N178-L185 PolarHBondContact OD1-N 3.09Å; N178-L185 PolarHBondContact OD1-O 2.87Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 3.22Å; L185-Q188 HydrophobicContact CB-CB 4.33Å; L185-Q188 HydrophobicContact CB-CG 4.23Å; L185-Q188 PolarHBondContact O-N 2.85Å; L185-A189 WeakPolarHBondContact O-CB 3.47Å; L185-A189 PolarHBondContact O-N 3.19Å
186	P	98	Very high	97.8	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-57.1	-41.5	177.2	-27.8	36.5	0	0	0	114	T146 Q188 A189 F190 A305	T146-P186 WeakPolarHBondContact OG1-CA 3.13Å; P186-Q188 PolarHBondContact O-N 3.1Å; P186-A189 WeakPolarHBondContact O-CB 3.48Å; P186-A189 PolarHBondContact O-N 3.44Å; P186-F190 HydrophobicContact CB-CE2 3.84Å; P186-F190 HydrophobicContact CB-CZ 4.15Å; P186-F190 WeakPolarHBondContact O-CD2 3.11Å; P186-F190 WeakPolarHBondContact O-CE2 3.23Å; P186-F190 WeakPolarHBondContact O-CG 3.32Å; P186-F190 PolarHBondContact O-N 3.38Å; P186-A305 HydrophobicContact CG-CB 4.12Å
187	S	95.6	Very high	97.9	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-48.6	177.1	51.1	0	0	0	0	112.7	T105 L185 A189 F190 E191 N230 S352	T105-S187 VanDerWaalsContact CG2-OG 3.31Å; T105-S187 WeakPolarHBondContact CG2-OG 3.33Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 3.22Å; S187-A189 VanDerWaalsContact C-N 3.29Å; S187-A189 PolarHBondContact O-N 3.05Å; S187-F190 PolarHBondContact O-N 3.37Å; S187-E191 WeakPolarHBondContact O-CG 3.29Å; S187-E191 PolarHBondContact O-N 3.1Å; S187-N230 VanDerWaalsContact CB-OD1 3.23Å; S187-N230 WeakPolarHBondContact CB-OD1 3.44Å; S187-S352 PolarHBondContact N-OG 3.11Å
188	Q	96.4	Very high	98	Very high	22 Å²	22	30.7 Å²	30.7	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-38	176.3	-71.7	170.9	-28.5	0	0	111.7	F176 N177 L185 P186 E191 Y192	F176-Q188 HydrophobicContact CB-CB 4.46Å; F176-Q188 WeakPolarHBondContact O-CB 3.47Å; F176-Q188 VanDerWaalsContact O-CD 3.29Å; F176-Q188 WeakPolarHBondContact O-CG 3.41Å; N177-Q188 PolarHBondContact O-OE1 2.89Å; L185-Q188 HydrophobicContact CB-CB 4.33Å; L185-Q188 HydrophobicContact CB-CG 4.23Å; L185-Q188 PolarHBondContact O-N 2.85Å; P186-Q188 PolarHBondContact O-N 3.1Å; Q188-E191 PolarHBondContact O-N 2.76Å; Q188-Y192 PolarHBondContact O-N 3.22Å
189	A	98.4	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-38.8	175.5	0	0	0	0	0	112.3	W142 T146 L169 L185 P186 S187 Y192 I193	W142-A189 HydrophobicContact CE3-CB 3.89Å; W142-A189 HydrophobicContact CZ3-CB 3.64Å; T146-A189 HydrophobicContact CG2-CB 3.57Å; T146-A189 VanDerWaalsContact OG1-CB 3.32Å; T146-A189 WeakPolarHBondContact OG1-CB 3.43Å; L169-A189 HydrophobicContact CD1-CB 4.4Å; L169-A189 HydrophobicContact CD2-CB 4.4Å; L185-A189 WeakPolarHBondContact O-CB 3.47Å; L185-A189 PolarHBondContact O-N 3.19Å; P186-A189 WeakPolarHBondContact O-CB 3.48Å; P186-A189 PolarHBondContact O-N 3.44Å; S187-A189 VanDerWaalsContact C-N 3.29Å; S187-A189 PolarHBondContact O-N 3.05Å; A189-Y192 WeakPolarHBondContact O-CB 3.36Å; A189-Y192 PolarHBondContact O-N 3.42Å; A189-I193 VanDerWaalsContact O-CG1 3.29Å; A189-I193 WeakPolarHBondContact O-CG1 3.37Å; A189-I193 PolarHBondContact O-N 3.1Å
190	F	98.5	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-41.8	174.6	-61.5	-48	0	0	0	111.7	T146 A149 P186 S187 I193 L194 V225 V228 P354	T146-F190 HydrophobicContact CG2-CD1 3.55Å; T146-F190 HydrophobicContact CG2-CE1 3.39Å; T146-F190 HydrophobicContact CG2-CG 4.43Å; T146-F190 HydrophobicContact CG2-CZ 4.15Å; T146-F190 WeakPolarHBondContact O-CE1 3.32Å; A149-F190 HydrophobicContact CB-CE1 4.21Å; A149-F190 HydrophobicContact CB-CZ 3.74Å; P186-F190 HydrophobicContact CB-CE2 3.84Å; P186-F190 HydrophobicContact CB-CZ 4.15Å; P186-F190 WeakPolarHBondContact O-CD2 3.11Å; P186-F190 WeakPolarHBondContact O-CE2 3.23Å; P186-F190 WeakPolarHBondContact O-CG 3.32Å; P186-F190 PolarHBondContact O-N 3.38Å; S187-F190 PolarHBondContact O-N 3.37Å; F190-I193 PolarHBondContact O-N 3.08Å; F190-L194 WeakPolarHBondContact O-CB 3.48Å; F190-L194 PolarHBondContact O-N 3.31Å; F190-V225 HydrophobicContact CD1-CG2 4.5Å; F190-V228 HydrophobicContact CB-CB 4.42Å; F190-V228 HydrophobicContact CB-CG1 3.97Å; F190-V228 HydrophobicContact CB-CG2 3.54Å; F190-V228 HydrophobicContact CD2-CG1 3.94Å; F190-V228 HydrophobicContact CG-CG1 4.4Å; F190-P354 HydrophobicContact CD1-CB 3.73Å; F190-P354 HydrophobicContact CD1-CG 3.91Å; F190-P354 HydrophobicContact CE1-CB 3.95Å; F190-P354 HydrophobicContact CE1-CG 3.59Å; F190-P354 HydrophobicContact CG-CB 4.1Å; F190-P354 HydrophobicContact CZ-CG 4.03Å
191	E	97.4	Very high	98.1	Very high	54 Å²	54	27.5 Å²	27.5	25%	0.252	13%	0.126	S	C	.	.	H	α-helix	trans	-60.7	-45.5	173.6	-67.4	-67.9	177.1	0	0	111.2	F176 S187 Q188 I193 L194 Y195 V228	F176-E191 HydrophobicContact CD1-CB 3.72Å; F176-E191 HydrophobicContact CE1-CB 3.89Å; S187-E191 WeakPolarHBondContact O-CG 3.29Å; S187-E191 PolarHBondContact O-N 3.1Å; Q188-E191 PolarHBondContact O-N 2.76Å; E191-I193 VanDerWaalsContact C-N 3.31Å; E191-I193 PolarHBondContact O-N 2.85Å; E191-L194 WeakPolarHBondContact O-CB 3.49Å; E191-L194 PolarHBondContact O-N 2.85Å; E191-L194 VanDerWaalsContact O-N 3.14Å; E191-Y195 VanDerWaalsContact O-CD2 3.25Å; E191-Y195 WeakPolarHBondContact O-CD2 3.44Å; E191-Y195 PolarHBondContact O-N 3.41Å; E191-Y195 WeakPolarHBondContact OE2-CE2 3.47Å; E191-V228 HydrophobicContact CG-CG2 4.37Å
192	Y	98.6	Very high	98.1	Very high	9 Å²	9	28.7 Å²	28.7	4%	0.035	13%	0.13	C	C	.	.	H	α-helix	trans	-52.2	-50.5	172	161.7	-99.6	0	0	0	111.1	Q168 L169 C172 A173 F176 Q188 A189 L194 Y195 N196	Q168-Y192 HydrophobicContact CG-CE1 4.47Å; Q168-Y192 PolarHBondContact NE2-OH 3.43Å; L169-Y192 HydrophobicContact CD2-CD1 3.51Å; L169-Y192 HydrophobicContact CD2-CE1 3.71Å; C172-Y192 HydrophobicContact CB-CE2 4.05Å; C172-Y192 WeakPolarHBondContact CB-OH 3.44Å; C172-Y192 VanDerWaalsContact O-CE2 3.29Å; C172-Y192 WeakPolarHBondContact O-CE2 3.46Å; A173-Y192 HydrophobicContact CB-CD1 3.84Å; A173-Y192 HydrophobicContact CB-CD2 4.01Å; A173-Y192 HydrophobicContact CB-CE1 4.35Å; A173-Y192 HydrophobicContact CB-CG 3.65Å; F176-Y192 AromaticContact CD2-CD2 3.96Å; F176-Y192 HydrophobicContact CD2-CD2 3.96Å; F176-Y192 HydrophobicContact CD2-CG 4.29Å; F176-Y192 HydrophobicContact CE2-CD2 4.09Å; Q188-Y192 PolarHBondContact O-N 3.22Å; A189-Y192 WeakPolarHBondContact O-CB 3.36Å; A189-Y192 PolarHBondContact O-N 3.42Å; Y192-L194 VanDerWaalsContact C-N 3.31Å; Y192-L194 PolarHBondContact O-N 3.39Å; Y192-Y195 PolarHBondContact O-N 2.89Å; Y192-N196 HydrophobicContact CD2-CB 4.1Å; Y192-N196 HydrophobicContact CE1-CB 4.38Å; Y192-N196 HydrophobicContact CE2-CB 3.73Å; Y192-N196 WeakPolarHBondContact O-CA 3.32Å; Y192-N196 WeakPolarHBondContact O-CB 3.41Å; Y192-N196 PolarHBondContact O-N 3.31Å; Y192-N196 PolarHBondContact OH-ND2 3Å; Y192-N196 PolarHBondContact OH-OD1 3.2Å
193	I	98.8	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-40.3	-179.3	-62.3	166.6	0	0	0	111.3	T146 L150 L169 A189 F190 E191 K197 G198 I199 V225	T146-I193 HydrophobicContact CG2-CD1 3.85Å; L150-I193 HydrophobicContact CD2-CD1 3.92Å; L150-I193 HydrophobicContact CD2-CG2 4.25Å; L169-I193 HydrophobicContact CD2-CD1 4.14Å; L169-I193 HydrophobicContact CD2-CG1 4.01Å; A189-I193 VanDerWaalsContact O-CG1 3.29Å; A189-I193 WeakPolarHBondContact O-CG1 3.37Å; A189-I193 PolarHBondContact O-N 3.1Å; F190-I193 PolarHBondContact O-N 3.08Å; E191-I193 VanDerWaalsContact C-N 3.31Å; E191-I193 PolarHBondContact O-N 2.85Å; I193-K197 PolarHBondContact O-N 3.26Å; I193-G198 PolarHBondContact O-N 3.03Å; I193-I199 HydrophobicContact CD1-CB 4.3Å; I193-I199 HydrophobicContact CD1-CD1 3.99Å; I193-I199 HydrophobicContact CD1-CG2 4.17Å; I193-I199 HydrophobicContact CG1-CB 4.15Å; I193-I199 HydrophobicContact CG1-CD1 4.36Å; I193-I199 HydrophobicContact CG1-CG2 4.41Å; I193-I199 HydrophobicContact CG2-CB 4.16Å; I193-I199 HydrophobicContact CG2-CG2 3.95Å; I193-V225 HydrophobicContact CB-CB 4.45Å; I193-V225 HydrophobicContact CB-CG2 3.9Å; I193-V225 HydrophobicContact CD1-CG2 4.49Å; I193-V225 HydrophobicContact CG2-CB 4.2Å; I193-V225 HydrophobicContact CG2-CG2 3.65Å
194	L	98.3	Very high	98.2	Very high	32 Å²	32	32.7 Å²	32.7	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-48.3	178.2	-177	159.5	0	0	0	111.7	F190 E191 Y192 K197 V225 K226	F190-L194 WeakPolarHBondContact O-CB 3.48Å; F190-L194 PolarHBondContact O-N 3.31Å; E191-L194 WeakPolarHBondContact O-CB 3.49Å; E191-L194 PolarHBondContact O-N 2.85Å; E191-L194 VanDerWaalsContact O-N 3.14Å; Y192-L194 VanDerWaalsContact C-N 3.31Å; Y192-L194 PolarHBondContact O-N 3.39Å; L194-K197 PolarHBondContact O-NZ 3.24Å; L194-V225 HydrophobicContact CB-CB 4.13Å; L194-V225 HydrophobicContact CB-CG1 4.11Å; L194-V225 HydrophobicContact CD1-CG1 4.28Å; L194-K226 WeakPolarHBondContact CD1-O 3.35Å
195	Y	98.4	Very high	98.2	Very high	144 Å²	144	33.1 Å²	33.1	57%	0.565	16%	0.158	S	C	*	.	H	α-helix	trans	-78.9	-35.3	-177.7	-76.3	-74.1	0	0	0	112.9	F176 E191 Y192 K197	F176-Y195 AromaticContact CE1-CD2 3.57Å; F176-Y195 HydrophobicContact CE1-CD2 3.57Å; F176-Y195 HydrophobicContact CE1-CE2 4.28Å; F176-Y195 HydrophobicContact CE1-CG 4.27Å; F176-Y195 AromaticContact CZ-CD2 3.76Å; F176-Y195 HydrophobicContact CZ-CD2 3.76Å; F176-Y195 AromaticContact CZ-CG 3.98Å; F176-Y195 HydrophobicContact CZ-CG 3.98Å; E191-Y195 VanDerWaalsContact O-CD2 3.25Å; E191-Y195 WeakPolarHBondContact O-CD2 3.44Å; E191-Y195 PolarHBondContact O-N 3.41Å; E191-Y195 WeakPolarHBondContact OE2-CE2 3.47Å; Y192-Y195 PolarHBondContact O-N 2.89Å; Y195-K197 PolarHBondContact O-N 2.78Å
196	N	98.5	Very high	98.3	Very high	42 Å²	42	36.1 Å²	36.1	23%	0.225	18%	0.178	C	C	.	.	H	α-helix	trans	-68.4	-10.5	174.5	-173	72.7	0	0	0	113	Q168 Y192 G198 F216	Q168-N196 PolarHBondContact NE2-ND2 3.17Å; Y192-N196 HydrophobicContact CD2-CB 4.1Å; Y192-N196 HydrophobicContact CE1-CB 4.38Å; Y192-N196 HydrophobicContact CE2-CB 3.73Å; Y192-N196 WeakPolarHBondContact O-CA 3.32Å; Y192-N196 WeakPolarHBondContact O-CB 3.41Å; Y192-N196 PolarHBondContact O-N 3.31Å; Y192-N196 PolarHBondContact OH-ND2 3Å; Y192-N196 PolarHBondContact OH-OD1 3.2Å; N196-G198 PolarHBondContact ND2-O 3.47Å; N196-F216 WeakPolarHBondContact ND2-CD1 3.47Å; N196-F216 WeakPolarHBondContact ND2-CE1 3.45Å; N196-F216 VanDerWaalsContact ND2-CE2 3.32Å; N196-F216 WeakPolarHBondContact ND2-CE2 3.31Å; N196-F216 WeakPolarHBondContact ND2-CZ 3.41Å; N196-F216 WeakPolarHBondContact OD1-CD1 3.43Å
197	K	98.6	Very high	98.3	Very high	141 Å²	141	38.1 Å²	38.1	61%	0.613	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	43.9	-176.3	-49.3	-57.9	171.4	-163.6	0	112.3	I193 L194 Y195 F224	I193-K197 PolarHBondContact O-N 3.26Å; L194-K197 PolarHBondContact O-NZ 3.24Å; Y195-K197 PolarHBondContact O-N 2.78Å; K197-F224 WeakPolarHBondContact O-CD1 3.34Å; K197-F224 VanDerWaalsContact O-CE1 3.25Å; K197-F224 WeakPolarHBondContact O-CE1 3.1Å
198	G	98.6	Very high	98.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	21%	0.208	C	C	.	.			trans	118.5	177.7	165.6	0	0	0	0	0	115.3	Q168 I193 N196 G223	Q168-G198 PolarHBondContact NE2-O 3.27Å; I193-G198 PolarHBondContact O-N 3.03Å; N196-G198 PolarHBondContact ND2-O 3.47Å; G198-G223 CarbonylContact C-O 3.47Å; G198-G223 WeakPolarHBondContact CA-O 3.36Å
199	I	98.9	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.2	-179.3	-177.1	165.9	0	0	0	109.9	T147 L150 L164 L169 I193 A221 I222 G223	T147-I199 HydrophobicContact CG2-CD1 4.24Å; L150-I199 HydrophobicContact CD2-CG2 3.86Å; L164-I199 HydrophobicContact CB-CD1 4.39Å; L164-I199 HydrophobicContact CD1-CG2 3.96Å; L164-I199 HydrophobicContact CD2-CG2 4.19Å; L164-I199 HydrophobicContact CG-CG2 4.48Å; L169-I199 HydrophobicContact CD1-CD1 4.13Å; L169-I199 HydrophobicContact CD2-CD1 3.98Å; L169-I199 HydrophobicContact CG-CD1 3.85Å; I193-I199 HydrophobicContact CD1-CB 4.3Å; I193-I199 HydrophobicContact CD1-CD1 3.99Å; I193-I199 HydrophobicContact CD1-CG2 4.17Å; I193-I199 HydrophobicContact CG1-CB 4.15Å; I193-I199 HydrophobicContact CG1-CD1 4.36Å; I193-I199 HydrophobicContact CG1-CG2 4.41Å; I193-I199 HydrophobicContact CG2-CB 4.16Å; I193-I199 HydrophobicContact CG2-CG2 3.95Å; I199-A221 WeakPolarHBondContact O-CA 3.34Å; I199-I222 PolarHBondContact O-N 2.9Å; I199-G223 WeakPolarHBondContact CG2-O 3.34Å; I199-G223 PolarHBondContact N-O 2.88Å; I199-G223 PolarHBondContact O-N 3.33Å; I199-G223 VanDerWaalsContact O-N 3.09Å
200	M	98.9	Very high	98.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	165.8	179	-67.1	174.8	61.4	0	0	111.8	A165 T204 Y205 F216 Q217 K220	A165-M200 HydrophobicContact CB-CB 4.49Å; A165-M200 WeakPolarHBondContact CB-O 3.25Å; A165-M200 PolarHBondContact N-O 2.65Å; M200-T204 WeakPolarHBondContact CE-OG1 3.02Å; M200-Y205 HydrophobicContact CE-CD2 4.37Å; M200-Y205 HydrophobicContact SD-CD2 3.9Å; M200-F216 HydrophobicContact CG-CD2 3.94Å; M200-F216 HydrophobicContact CG-CE2 4.14Å; M200-F216 HydrophobicContact SD-CD2 3.94Å; M200-Q217 HydrophobicContact CE-CB 4.4Å; M200-Q217 HydrophobicContact SD-CB 4.17Å; M200-Q217 PolarHBondContact SD-N 2.99Å; M200-K220 HydrophobicContact CE-CB 3.76Å; M200-K220 HydrophobicContact CE-CD 3.84Å; M200-K220 HydrophobicContact CE-CG 4.46Å; M200-K220 HydrophobicContact CG-CB 4.11Å; M200-K220 HydrophobicContact SD-CB 4.33Å
201	G	98.9	Very high	98.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-82.1	154.2	172.2	0	0	0	0	0	112.4	S163 D203 T204 Y205 I222	S163-G201 WeakPolarHBondContact O-CA 3.47Å; G201-D203 VanDerWaalsContact C-OD1 3.24Å; G201-D203 VanDerWaalsContact CA-OD1 3.3Å; G201-D203 WeakPolarHBondContact CA-OD1 3.29Å; G201-D203 PolarHBondContact O-N 2.84Å; G201-T204 PolarHBondContact O-N 3.07Å; G201-T204 PolarHBondContact O-OG1 2.91Å; G201-T204 VanDerWaalsContact O-OG1 3.11Å; G201-Y205 PolarHBondContact O-N 2.03Å; G201-I222 VanDerWaalsContact CA-CD1 3.41Å
202	E	98.8	Very high	98.6	Very high	47 Å²	47	52.9 Å²	52.9	22%	0.22	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29	174.3	178.2	59.9	-160.6	0	0	112.2	S163 T204 Y205 P206 Y207	S163-E202 PolarHBondContact O-N 3.16Å; E202-T204 VanDerWaalsContact C-N 3.33Å; E202-T204 PolarHBondContact O-N 2.83Å; E202-Y205 CarbonylContact O-C 3.5Å; E202-P206 VanDerWaalsContact O-CA 3.29Å; E202-P206 WeakPolarHBondContact O-CA 3.12Å; E202-P206 WeakPolarHBondContact OE1-CA 3.38Å; E202-Y207 WeakPolarHBondContact OE1-CB 3.19Å; E202-Y207 PolarHBondContact OE1-N 3.36Å; E202-Y207 PolarHBondContact OE2-N 2.92Å
203	D	98.5	Very high	98.6	Very high	130 Å²	130	62.1 Å²	62.1	70%	0.695	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-32	176.2	63	-25.1	0	0	0	113.7	G201	G201-D203 VanDerWaalsContact C-OD1 3.24Å; G201-D203 VanDerWaalsContact CA-OD1 3.3Å; G201-D203 WeakPolarHBondContact CA-OD1 3.29Å; G201-D203 PolarHBondContact O-N 2.84Å
204	T	98.7	Very high	98.6	Very high	56 Å²	56	65.4 Å²	65.4	34%	0.344	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-15.8	-177.5	51.9	0	0	0	0	113.3	M200 G201 E202 K220	M200-T204 WeakPolarHBondContact CE-OG1 3.02Å; G201-T204 PolarHBondContact O-N 3.07Å; G201-T204 PolarHBondContact O-OG1 2.91Å; G201-T204 VanDerWaalsContact O-OG1 3.11Å; E202-T204 VanDerWaalsContact C-N 3.33Å; E202-T204 PolarHBondContact O-N 2.83Å; T204-K220 HydrophobicContact CG2-CD 4.17Å
205	Y	98.8	Very high	98.6	Very high	9 Å²	9	69.7 Å²	69.7	4%	0.035	35%	0.346	C	S	.	.	S	Bend	trans	-141.1	77.9	174.4	-158.6	-30.6	0	0	0	110.8	A165 Q167 Q168 D171 M200 G201 E202 Y213 K215	A165-Y205 HydrophobicContact CB-CG 4.32Å; A165-Y205 WeakPolarHBondContact CB-O 3.33Å; Q167-Y205 HydrophobicContact CB-CD1 3.71Å; Q167-Y205 HydrophobicContact CB-CE1 3.78Å; Q167-Y205 HydrophobicContact CG-CD1 3.88Å; Q167-Y205 HydrophobicContact CG-CE1 3.5Å; Q168-Y205 HydrophobicContact CB-CD2 3.76Å; Q168-Y205 HydrophobicContact CB-CE2 3.86Å; Q168-Y205 HydrophobicContact CB-CG 4.32Å; Q168-Y205 HydrophobicContact CG-CD2 4.21Å; Q168-Y205 HydrophobicContact CG-CE2 4.09Å; D171-Y205 WeakPolarHBondContact CB-OH 3.42Å; D171-Y205 WeakPolarHBondContact OD2-CE1 3.43Å; D171-Y205 PolarHBondContact OD2-OH 3.42Å; M200-Y205 HydrophobicContact CE-CD2 4.37Å; M200-Y205 HydrophobicContact SD-CD2 3.9Å; G201-Y205 PolarHBondContact O-N 2.03Å; E202-Y205 CarbonylContact O-C 3.5Å; Y205-Y213 PolarHBondContact OH-O 2.98Å; Y205-K215 HydrophobicContact CD2-CB 4.48Å; Y205-K215 HydrophobicContact CE1-CD 4.47Å; Y205-K215 HydrophobicContact CE2-CB 3.8Å; Y205-K215 PolarHBondContact OH-N 3.23Å
206	P	98.8	Very high	98.6	Very high	64 Å²	64	64.7 Å²	64.7	42%	0.416	33%	0.327	S	S	.	.			trans	-71	146.4	-171.1	-19.3	32.3	0	0	0	114.5	E202 Q208	E202-P206 VanDerWaalsContact O-CA 3.29Å; E202-P206 WeakPolarHBondContact O-CA 3.12Å; E202-P206 WeakPolarHBondContact OE1-CA 3.38Å; P206-Q208 PolarHBondContact O-NE2 3.21Å
207	Y	98.9	Very high	98.6	Very high	44 Å²	44	66.9 Å²	66.9	17%	0.173	34%	0.336	C	S	.	.			trans	-65.9	130.5	177.7	-167.4	-105.8	0	0	0	113.9	Q135 S140 F144 E166 Q167 V170 E202 G209	Q135-Y207 WeakPolarHBondContact CA-OH 3.13Å; Q135-Y207 WeakPolarHBondContact O-CE1 3.02Å; Q135-Y207 PolarHBondContact O-OH 3.36Å; S140-Y207 PolarHBondContact OG-OH 2.78Å; F144-Y207 HydrophobicContact CE2-CD2 4.45Å; F144-Y207 HydrophobicContact CE2-CE1 4.24Å; F144-Y207 AromaticContact CE2-CE2 3.74Å; F144-Y207 HydrophobicContact CE2-CE2 3.74Å; F144-Y207 AromaticContact CE2-CZ 3.61Å; F144-Y207 HydrophobicContact CZ-CD1 4.13Å; F144-Y207 HydrophobicContact CZ-CD2 4.06Å; F144-Y207 AromaticContact CZ-CE1 3.84Å; F144-Y207 HydrophobicContact CZ-CE1 3.84Å; F144-Y207 AromaticContact CZ-CE2 3.76Å; F144-Y207 HydrophobicContact CZ-CE2 3.76Å; F144-Y207 HydrophobicContact CZ-CG 4.23Å; F144-Y207 AromaticContact CZ-CZ 3.63Å; E166-Y207 HydrophobicContact CB-CD2 3.73Å; E166-Y207 HydrophobicContact CB-CE2 4.04Å; Q167-Y207 HydrophobicContact CB-CD2 4.3Å; V170-Y207 HydrophobicContact CG2-CE2 4.41Å; E202-Y207 WeakPolarHBondContact OE1-CB 3.19Å; E202-Y207 PolarHBondContact OE1-N 3.36Å; E202-Y207 PolarHBondContact OE2-N 2.92Å; Y207-G209 VanDerWaalsContact CE1-CA 3.46Å
208	Q	98.6	Very high	98.6	Very high	110 Å²	110	65 Å²	65	51%	0.514	34%	0.338	S	S	.	.			trans	-114.8	-15.7	-176.7	-55.3	-56.4	-50.6	0	0	113.2	Q167 P206 K210	Q167-Q208 HydrophobicContact CG-CG 4.29Å; P206-Q208 PolarHBondContact O-NE2 3.21Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 HydrophobicContact CB-CG 4.16Å; Q208-K210 PolarHBondContact O-N 3.05Å
209	G	97.9	Very high	98.6	Very high	21 Å²	21	69 Å²	69	22%	0.216	38%	0.38	C	S	.	.	S	Bend	trans	65.9	29.7	179.2	0	0	0	0	0	114.2	C138 Y207	C138-G209 WeakPolarHBondContact CB-O 3.33Å; Y207-G209 VanDerWaalsContact CE1-CA 3.46Å
210	K	98.5	Very high	98.6	Very high	134 Å²	134	73.1 Å²	73.1	58%	0.583	40%	0.398	S	S	*	.	S	Bend	trans	-160	160.9	176.9	61.3	-178.2	179	179.1	0	109.8	Q167 C181 Q208	Q167-K210 PolarHBondContact NE2-O 2.89Å; C181-K210 VanDerWaalsContact SG-CA 3.55Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 HydrophobicContact CB-CG 4.16Å; Q208-K210 PolarHBondContact O-N 3.05Å
211	D	98.6	Very high	98.6	Very high	87 Å²	87	73.8 Å²	73.8	47%	0.465	40%	0.403	S	S	.	.			trans	-65.8	136.7	173.8	-53.5	-64.6	0	0	0	111.1	G180 C181	G180-D211 WeakPolarHBondContact CA-OD1 3.44Å; C181-D211 PolarHBondContact N-OD1 2.92Å
212	G	98.3	Very high	98.6	Very high	38 Å²	38	77.1 Å²	77.1	39%	0.392	42%	0.42	S	S	.	.			trans	-137.1	-179	178.3	0	0	0	0	0	112.7	D171	D171-G212 WeakPolarHBondContact OD1-CA 3.22Å; D171-G212 PolarHBondContact OD1-N 2.9Å
213	Y	98.4	Very high	98.6	Very high	203 Å²	203	74.9 Å²	74.9	80%	0.796	41%	0.41	S	S	*	.			trans	-77.7	139	171.8	-66.8	-80.6	0	0	0	110.6	Y205 K215	Y205-Y213 PolarHBondContact OH-O 2.98Å; Y213-K215 WeakPolarHBondContact O-CG 3.34Å; Y213-K215 PolarHBondContact O-N 3Å
214	C	98.8	Very high	98.6	Very high	70 Å²	70	72 Å²	72	47%	0.473	39%	0.391	S	S	.	.			trans	-61.4	123.4	174.8	-176.3	0	0	0	0	111.7	C172	C172-C214 HydrophobicContact CB-CB 3.93Å; C172-C214 WeakPolarHBondContact CB-SG 3.37Å; C172-C214 WeakPolarHBondContact SG-CA 3.27Å; C172-C214 WeakPolarHBondContact SG-CB 3.35Å; C172-C214 CovalentContact SG-SG 2.04Å; C172-C214 PolarHBondContact SG-SG 3.46Å
215	K	98.6	Very high	98.6	Very high	121 Å²	121	69.8 Å²	69.8	53%	0.526	38%	0.377	S	S	.	.			trans	-120.5	24.5	-179	-62.8	157.3	-168.3	172.8	0	112.6	Y205 Y213 Q217	Y205-K215 HydrophobicContact CD2-CB 4.48Å; Y205-K215 HydrophobicContact CE1-CD 4.47Å; Y205-K215 HydrophobicContact CE2-CB 3.8Å; Y205-K215 PolarHBondContact OH-N 3.23Å; Y213-K215 WeakPolarHBondContact O-CG 3.34Å; Y213-K215 PolarHBondContact O-N 3Å; K215-Q217 PolarHBondContact O-N 3.06Å
216	F	98.8	Very high	98.5	Very high	40 Å²	40	76.1 Å²	76.1	18%	0.175	41%	0.405	C	S	.	.			trans	-58.4	134.7	-178.8	175.5	-116.4	0	0	0	111.3	Q168 N196 M200 P218 A221	Q168-F216 VanDerWaalsContact CD-CD2 3.48Å; Q168-F216 HydrophobicContact CG-CD2 4.45Å; Q168-F216 VanDerWaalsContact NE2-CD2 3.29Å; N196-F216 WeakPolarHBondContact ND2-CD1 3.47Å; N196-F216 WeakPolarHBondContact ND2-CE1 3.45Å; N196-F216 VanDerWaalsContact ND2-CE2 3.32Å; N196-F216 WeakPolarHBondContact ND2-CE2 3.31Å; N196-F216 WeakPolarHBondContact ND2-CZ 3.41Å; N196-F216 WeakPolarHBondContact OD1-CD1 3.43Å; M200-F216 HydrophobicContact CG-CD2 3.94Å; M200-F216 HydrophobicContact CG-CE2 4.14Å; M200-F216 HydrophobicContact SD-CD2 3.94Å; F216-P218 HydrophobicContact CD1-CG 4.42Å; F216-P218 HydrophobicContact CE1-CB 4.32Å; F216-P218 HydrophobicContact CE1-CG 3.84Å; F216-P218 HydrophobicContact CZ-CB 4.42Å; F216-P218 HydrophobicContact CZ-CG 4.4Å; F216-A221 HydrophobicContact CE2-CB 4.22Å; F216-A221 HydrophobicContact CZ-CB 4.43Å
217	Q	98.8	Very high	98.4	Very high	87 Å²	87	76.8 Å²	76.8	41%	0.407	41%	0.405	S	S	.	.			trans	-125.7	112.3	176.7	-68.9	174.9	34	0	0	108.4	M200 K215 G219 K220	M200-Q217 HydrophobicContact CE-CB 4.4Å; M200-Q217 HydrophobicContact SD-CB 4.17Å; M200-Q217 PolarHBondContact SD-N 2.99Å; K215-Q217 PolarHBondContact O-N 3.06Å; Q217-G219 VanDerWaalsContact C-N 3.27Å; Q217-G219 PolarHBondContact O-N 2.94Å; Q217-K220 HydrophobicContact CB-CB 4.23Å; Q217-K220 HydrophobicContact CB-CD 4.2Å; Q217-K220 HydrophobicContact CB-CG 4.21Å; Q217-K220 PolarHBondContact O-N 3.19Å; Q217-K220 VanDerWaalsContact OE1-CD 3.3Å
218	P	98.3	Very high	98.2	Very high	102 Å²	102	74.8 Å²	74.8	66%	0.662	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-53.6	-41.4	-175.9	-29	34.5	0	0	0	113.8	F216 K220 A221	F216-P218 HydrophobicContact CD1-CG 4.42Å; F216-P218 HydrophobicContact CE1-CB 4.32Å; F216-P218 HydrophobicContact CE1-CG 3.84Å; F216-P218 HydrophobicContact CZ-CB 4.42Å; F216-P218 HydrophobicContact CZ-CG 4.4Å; P218-K220 PolarHBondContact O-N 2.9Å; P218-K220 VanDerWaalsContact O-N 3.1Å; P218-A221 PolarHBondContact O-N 2.96Å
219	G	98.4	Very high	97.9	Very high	85 Å²	85	69.9 Å²	69.9	88%	0.876	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-69.3	-2.4	178.6	0	0	0	0	0	115.5	Q217	Q217-G219 VanDerWaalsContact C-N 3.27Å; Q217-G219 PolarHBondContact O-N 2.94Å
220	K	98.6	Very high	97.6	Very high	87 Å²	87	69.5 Å²	69.5	38%	0.378	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-115.1	6.2	177	-65	-173.8	177.1	164.8	0	113.1	M200 T204 Q217 P218	M200-K220 HydrophobicContact CE-CB 3.76Å; M200-K220 HydrophobicContact CE-CD 3.84Å; M200-K220 HydrophobicContact CE-CG 4.46Å; M200-K220 HydrophobicContact CG-CB 4.11Å; M200-K220 HydrophobicContact SD-CB 4.33Å; T204-K220 HydrophobicContact CG2-CD 4.17Å; Q217-K220 HydrophobicContact CB-CB 4.23Å; Q217-K220 HydrophobicContact CB-CD 4.2Å; Q217-K220 HydrophobicContact CB-CG 4.21Å; Q217-K220 PolarHBondContact O-N 3.19Å; Q217-K220 VanDerWaalsContact OE1-CD 3.3Å; P218-K220 PolarHBondContact O-N 2.9Å; P218-K220 VanDerWaalsContact O-N 3.1Å
221	A	98.8	Very high	97	Very high	15 Å²	15	63.2 Å²	63.2	12%	0.124	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133	173.1	0	0	0	0	0	110.3	I199 F216 P218 F224	I199-A221 WeakPolarHBondContact O-CA 3.34Å; F216-A221 HydrophobicContact CE2-CB 4.22Å; F216-A221 HydrophobicContact CZ-CB 4.43Å; P218-A221 PolarHBondContact O-N 2.96Å; A221-F224 HydrophobicContact CB-CE1 3.76Å; A221-F224 HydrophobicContact CB-CZ 3.81Å; A221-F224 WeakPolarHBondContact O-CZ 3.47Å
222	I	98.8	Very high	96	Very high	69 Å²	69	59.2 Å²	59.2	35%	0.354	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	-12.1	-178.4	64.9	169	0	0	0	113.5	L162 L164 I199 G201	L162-I222 HydrophobicContact CD1-CD1 4.34Å; L162-I222 HydrophobicContact CD1-CG1 4.35Å; L162-I222 WeakPolarHBondContact CD1-O 3.42Å; L162-I222 HydrophobicContact CD2-CD1 4.46Å; L164-I222 HydrophobicContact CD2-CD1 4.17Å; L164-I222 HydrophobicContact CD2-CG1 3.85Å; I199-I222 PolarHBondContact O-N 2.9Å; G201-I222 VanDerWaalsContact CA-CD1 3.41Å
223	G	98.6	Very high	94.5	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.9	173.5	0	0	0	0	0	110.4	G198 I199	G198-G223 CarbonylContact C-O 3.47Å; G198-G223 WeakPolarHBondContact CA-O 3.36Å; I199-G223 WeakPolarHBondContact CG2-O 3.34Å; I199-G223 PolarHBondContact N-O 2.88Å; I199-G223 PolarHBondContact O-N 3.33Å; I199-G223 VanDerWaalsContact O-N 3.09Å
224	F	98.8	Very high	92.5	Very high	71 Å²	71	52.3 Å²	52.3	31%	0.311	29%	0.286	S	S	.	.			trans	-138.8	143	-175	-54.8	-89.2	0	0	0	110.4	K197 A221 P356 L357	K197-F224 WeakPolarHBondContact O-CD1 3.34Å; K197-F224 VanDerWaalsContact O-CE1 3.25Å; K197-F224 WeakPolarHBondContact O-CE1 3.1Å; A221-F224 HydrophobicContact CB-CE1 3.76Å; A221-F224 HydrophobicContact CB-CZ 3.81Å; A221-F224 WeakPolarHBondContact O-CZ 3.47Å; F224-P356 WeakPolarHBondContact O-CA 3.46Å; F224-L357 HydrophobicContact CB-CB 3.78Å; F224-L357 HydrophobicContact CB-CD2 4.24Å; F224-L357 HydrophobicContact CB-CG 4.39Å; F224-L357 PolarHBondContact O-N 2.97Å
225	V	98.5	Very high	90.3	Very high	8 Å²	8	56.3 Å²	56.3	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.8	176.6	176.2	0	0	0	0	108.1	L150 F190 I193 L194 D227 V228 P354	L150-V225 HydrophobicContact CD1-CG2 3.93Å; L150-V225 HydrophobicContact CD2-CG2 3.86Å; F190-V225 HydrophobicContact CD1-CG2 4.5Å; I193-V225 HydrophobicContact CB-CB 4.45Å; I193-V225 HydrophobicContact CB-CG2 3.9Å; I193-V225 HydrophobicContact CD1-CG2 4.49Å; I193-V225 HydrophobicContact CG2-CB 4.2Å; I193-V225 HydrophobicContact CG2-CG2 3.65Å; L194-V225 HydrophobicContact CB-CB 4.13Å; L194-V225 HydrophobicContact CB-CG1 4.11Å; L194-V225 HydrophobicContact CD1-CG1 4.28Å; V225-D227 WeakPolarHBondContact CG1-O 3.28Å; V225-V228 HydrophobicContact CG1-CG2 4.01Å; V225-P354 HydrophobicContact CG1-CB 4.2Å; V225-P354 HydrophobicContact CG2-CB 4Å
226	K	97.8	Very high	87.8	Confident	143 Å²	143	53.7 Å²	53.7	62%	0.622	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	-42.4	174.1	-176.6	178.6	175.7	-179.2	0	111.5	L194 I355 L357	L194-K226 WeakPolarHBondContact CD1-O 3.35Å; K226-I355 HydrophobicContact CB-CG2 4.48Å; K226-I355 WeakPolarHBondContact CB-O 3.33Å; K226-I355 PolarHBondContact N-O 2.94Å; K226-L357 HydrophobicContact CB-CB 3.97Å; K226-L357 HydrophobicContact CB-CD1 4.49Å
227	D	96	Very high	85.1	Confident	78 Å²	78	56.2 Å²	56.2	42%	0.417	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	164.8	-175.8	-164.6	5.7	0	0	0	110	V225 I355	V225-D227 WeakPolarHBondContact CG1-O 3.28Å; D227-I355 HydrophobicContact CB-CB 4.23Å; D227-I355 HydrophobicContact CB-CD1 4.2Å; D227-I355 PolarHBondContact N-O 3.44Å; D227-I355 PolarHBondContact O-N 3.14Å
228	V	94.2	Very high	82.4	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.8	-176.9	-171.5	0	0	0	0	110.1	N108 F190 E191 V225	N108-V228 PolarHBondContact ND2-O 3.12Å; F190-V228 HydrophobicContact CB-CB 4.42Å; F190-V228 HydrophobicContact CB-CG1 3.97Å; F190-V228 HydrophobicContact CB-CG2 3.54Å; F190-V228 HydrophobicContact CD2-CG1 3.94Å; F190-V228 HydrophobicContact CG-CG1 4.4Å; E191-V228 HydrophobicContact CG-CG2 4.37Å; V225-V228 HydrophobicContact CG1-CG2 4.01Å
229	A	93.1	Very high	79.9	Confident	7 Å²	7	57.4 Å²	57.4	6%	0.058	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.5	172	0	0	0	0	0	109.9	Y109 S352 Y353	Y109-A229 HydrophobicContact CD2-CB 4.26Å; A229-S352 CarbonylContact O-C 3.53Å; A229-S352 WeakPolarHBondContact O-CA 3.42Å; A229-S352 WeakPolarHBondContact O-CB 3.4Å; A229-Y353 HydrophobicContact CB-CD1 3.79Å; A229-Y353 HydrophobicContact CB-CD2 4.02Å; A229-Y353 HydrophobicContact CB-CE1 3.36Å; A229-Y353 HydrophobicContact CB-CE2 3.63Å; A229-Y353 HydrophobicContact CB-CG 4.1Å; A229-Y353 PolarHBondContact N-O 3.35Å; A229-Y353 PolarHBondContact O-N 3.35Å
230	N	90.7	Very high	77.2	Confident	13 Å²	13	65.1 Å²	65.1	7%	0.07	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.7	177.1	-67.9	-49.7	0	0	0	110	S107 N108 Y109 S187 T232	S107-N230 PolarHBondContact OG-O 3.41Å; N108-N230 PolarHBondContact N-O 3.07Å; N108-N230 PolarHBondContact OD1-N 3.48Å; Y109-N230 WeakPolarHBondContact CB-O 3.35Å; Y109-N230 PolarHBondContact N-O 3.22Å; S187-N230 VanDerWaalsContact CB-OD1 3.23Å; S187-N230 WeakPolarHBondContact CB-OD1 3.44Å; N230-T232 HydrophobicContact CB-CG2 4.42Å
231	I	86.9	Confident	74.5	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	81.9	175.4	-53.5	168.6	0	0	0	107	Y109 D258 A261 M262 A265 V272 A351 Y353	Y109-I231 HydrophobicContact CD1-CG1 4.13Å; Y109-I231 HydrophobicContact CD2-CD1 4.26Å; Y109-I231 HydrophobicContact CD2-CG1 3.92Å; Y109-I231 HydrophobicContact CE2-CD1 4.41Å; Y109-I231 HydrophobicContact CG-CD1 4.36Å; Y109-I231 HydrophobicContact CG-CG1 3.68Å; I231-D258 HydrophobicContact CG2-CB 4.38Å; I231-D258 WeakPolarHBondContact CG2-O 3.32Å; I231-A261 HydrophobicContact CG2-CB 3.57Å; I231-M262 HydrophobicContact CD1-CG 4.47Å; I231-M262 HydrophobicContact CG2-CG 4.05Å; I231-A265 HydrophobicContact CD1-CB 3.74Å; I231-V272 HydrophobicContact CD1-CG1 4.41Å; I231-A351 CarbonylContact C-O 3.51Å; I231-A351 WeakPolarHBondContact CA-O 3.27Å; I231-A351 HydrophobicContact CB-CB 4.17Å; I231-A351 PolarHBondContact N-O 2.86Å; I231-A351 PolarHBondContact O-N 2.92Å; I231-A351 VanDerWaalsContact O-O 3.12Å; I231-Y353 HydrophobicContact CD1-CD1 4.22Å; I231-Y353 HydrophobicContact CD1-CE1 4.16Å
232	T	77	Confident	71.8	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.018	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-173.9	-175.5	68.7	0	0	0	0	110.6	T105 N230 Q234 C350	T105-T232 PolarHBondContact O-OG1 3.07Å; T105-T232 WeakPolarHBondContact OG1-CG2 3.48Å; N230-T232 HydrophobicContact CB-CG2 4.42Å; T232-Q234 PolarHBondContact O-N 2.66Å; T232-C350 HydrophobicContact CG2-CB 3.95Å
233	I	67.6	Low	69	Low	32 Å²	32	82.4 Å²	82.4	16%	0.164	43%	0.426	C	S	.	.			trans	-57.6	114.9	176.5	-52.2	175.4	0	0	0	109.5	L235 Y257 P299	I233-L235 HydrophobicContact CG2-CD2 4.25Å; I233-L235 HydrophobicContact CG2-CG 4Å; I233-L235 PolarHBondContact O-N 3.36Å; I233-Y257 HydrophobicContact CD1-CD1 4.09Å; I233-Y257 HydrophobicContact CD1-CE1 3.39Å; I233-Y257 HydrophobicContact CG1-CD1 3.56Å; I233-Y257 HydrophobicContact CG1-CE1 3.41Å; I233-Y257 VanDerWaalsContact CG1-CE1 3.41Å; I233-P299 HydrophobicContact CD1-CG 4.12Å
234	Q	56.2	Low	66.5	Low	64 Å²	64	89.9 Å²	89.9	30%	0.299	46%	0.461	S	S	.	.			trans	-73.3	92	163.6	-72.6	-172.1	-4.8	0	0	109.1	Y109 T232 S236	Y109-Q234 PolarHBondContact O-NE2 2.66Å; T232-Q234 PolarHBondContact O-N 2.66Å; Q234-S236 PolarHBondContact O-N 3.35Å; Q234-S236 VanDerWaalsContact O-N 3.11Å
235	L	51.1	Low	63.9	Low	154 Å²	154	94.8 Å²	94.8	81%	0.806	49%	0.485	S	S	*	.			trans	-79	71.8	160	-69.6	169.5	0	0	0	107.8	I233 A237	I233-L235 HydrophobicContact CG2-CD2 4.25Å; I233-L235 HydrophobicContact CG2-CG 4Å; I233-L235 PolarHBondContact O-N 3.36Å; L235-A237 PolarHBondContact O-N 3.36Å
236	S	47.5	Very low	61	Low	67 Å²	67	100.9 Å²	100.9	47%	0.469	52%	0.522	S	S	.	.			trans	-70.5	123.6	169.2	62.8	0	0	0	0	108.7	Q234	Q234-S236 PolarHBondContact O-N 3.35Å; Q234-S236 VanDerWaalsContact O-N 3.11Å
237	A	42.5	Very low	58.5	Low	92 Å²	92	102.4 Å²	102.4	76%	0.76	54%	0.536	S	S	*	.			trans	-48.8	141.7	-179.8	0	0	0	0	0	113.2	L235	L235-A237 PolarHBondContact O-N 3.36Å
238	S	41.7	Very low	55.8	Low	109 Å²	109	105.1 Å²	105.1	76%	0.762	55%	0.55	S	S	*	*			trans	2	118.4	160.2	-45.5	0	0	0	0	116.5	R240	S238-R240 PolarHBondContact O-N 3.04Å
239	C	44.5	Very low	53.3	Low	106 Å²	106	111.4 Å²	111.4	72%	0.716	59%	0.589	S	S	*	*			trans	-50.1	109.3	156.7	-70.6	0	0	0	0	108.5	R241	C239-R241 PolarHBondContact O-N 2.88Å; C239-R241 VanDerWaalsContact O-N 3.1Å
240	R	43.2	Very low	50.9	Low	246 Å²	246	115.3 Å²	115.3	93%	0.928	62%	0.621	S	S	*	*			trans	-70.7	106.7	166	-93.2	-170.8	-115.8	-156.7	-1.3	106.9	S238 G242	S238-R240 PolarHBondContact O-N 3.04Å; R240-G242 VanDerWaalsContact C-N 3.28Å; R240-G242 PolarHBondContact O-N 2.94Å
241	R	42.3	Very low	48.5	Very low	247 Å²	247	119.7 Å²	119.7	93%	0.932	65%	0.652	S	S	*	*			trans	-70.5	88.7	169.8	-158.5	-176.8	-76	154.2	-6.6	107.2	C239	C239-R241 PolarHBondContact O-N 2.88Å; C239-R241 VanDerWaalsContact O-N 3.1Å
242	G	40.7	Very low	46.5	Very low	67 Å²	67	124.4 Å²	124.4	69%	0.691	68%	0.68	S	S	*	*			trans	-79.7	138.7	169	0	0	0	0	0	109.9	R240	R240-G242 VanDerWaalsContact C-N 3.28Å; R240-G242 PolarHBondContact O-N 2.94Å
243	Y	40.5	Very low	44.8	Very low	221 Å²	221	132.8 Å²	132.8	87%	0.867	72%	0.716	S	S	*	*			trans	-53.6	145.7	-177.9	-94.9	-110.9	0	0	0	114
244	E	45.2	Very low	43.7	Very low	156 Å²	156	137.4 Å²	137.4	73%	0.729	74%	0.741	S	S	*	*	S	Bend	trans	35.3	118	159.2	-89.5	170.7	146.4	0	0	120.2
245	H	43.8	Very low	43.5	Very low	175 Å²	175	142 Å²	142	81%	0.81	76%	0.755	S	S	*	*			trans	67.8	62.5	153.3	-69.6	-78.9	0	0	0	118.6
246	V	37.6	Very low	43.9	Very low	136 Å²	136	144 Å²	144	82%	0.824	75%	0.752	S	S	*	*			trans	-143.1	118.5	146.1	-173.2	0	0	0	0	109.6	D248	V246-D248 PolarHBondContact O-N 3.42Å
247	L	46.5	Very low	45.3	Very low	175 Å²	175	142.5 Å²	142.5	92%	0.916	74%	0.736	S	S	*	*			trans	-74.9	104.1	161.7	-79.4	159.7	0	0	0	107.5
248	D	38.7	Very low	47.4	Very low	135 Å²	135	139.3 Å²	139.3	72%	0.722	71%	0.707	S	S	*	*			trans	-160.9	99.4	147.1	-126.5	-16.6	0	0	0	114	V246 A250	V246-D248 PolarHBondContact O-N 3.42Å; D248-A250 PolarHBondContact O-N 3.36Å
249	T	41.2	Very low	49.9	Very low	132 Å²	132	135 Å²	135	81%	0.81	68%	0.675	S	S	*	*				36.8	68.6	120.3	-16.9	0	0	0	0	120.2
250	A	43.2	Very low	52.2	Low	89 Å²	89	133.7 Å²	133.7	74%	0.736	66%	0.658	S	S	*	*			trans	-154.3	42	153.8	0	0	0	0	0	114	D248 V252	D248-A250 PolarHBondContact O-N 3.36Å; A250-V252 VanDerWaalsContact C-N 3.26Å; A250-V252 PolarHBondContact O-N 2.93Å
251	C	41.1	Very low	54.6	Low	106 Å²	106	122 Å²	122	72%	0.716	61%	0.613	S	S	*	*			trans	-72.8	90	158.1	-83.9	0	0	0	0	107.9	K253	C251-K253 PolarHBondContact O-N 3.29Å
252	V	44.7	Very low	57.2	Low	100 Å²	100	110.2 Å²	110.2	61%	0.606	57%	0.569	S	S	*	*			trans	-53.8	114.2	163.9	178.8	0	0	0	0	106	A250 L254	A250-V252 VanDerWaalsContact C-N 3.26Å; A250-V252 PolarHBondContact O-N 2.93Å; V252-L254 PolarHBondContact O-N 3.35Å
253	K	41.7	Very low	59.9	Low	180 Å²	180	107.2 Å²	107.2	78%	0.783	54%	0.538	S	S	*	.			trans	-53.1	111.2	172.3	-96.7	180	176.4	176.1	0	106.9	C251 R255	C251-K253 PolarHBondContact O-N 3.29Å; K253-R255 VanDerWaalsContact C-N 3.29Å; K253-R255 PolarHBondContact O-N 3.5Å
254	L	44.9	Very low	62.6	Low	128 Å²	128	97 Å²	97	67%	0.67	50%	0.498	S	S	*	.			trans	-58.9	92.4	174.4	-68.5	165.8	0	0	0	108.1	V252 R256	V252-L254 PolarHBondContact O-N 3.35Å; L254-R256 PolarHBondContact O-N 2.87Å
255	R	50.4	Low	65.1	Low	162 Å²	162	89.5 Å²	89.5	61%	0.611	46%	0.463	S	S	*	.			trans	-83.4	105.3	170.1	-67	-167.9	-175.2	-158.7	2.9	106.4	K253 Y257	K253-R255 VanDerWaalsContact C-N 3.29Å; K253-R255 PolarHBondContact O-N 3.5Å; R255-Y257 PolarHBondContact O-N 3.02Å
256	R	59.8	Low	67.8	Low	195 Å²	195	81.2 Å²	81.2	74%	0.736	42%	0.424	S	S	*	.	S	Bend	trans	-61.9	108.2	164.9	-149.5	176.3	-174.8	162.1	0.9	104.8	L254	L254-R256 PolarHBondContact O-N 2.87Å
257	Y	77.2	Confident	70.7	Confident	35 Å²	35	75.2 Å²	75.2	14%	0.137	39%	0.389	C	S	.	.	S	Bend	trans	77.5	131.5	-175	-38.8	-66	0	0	0	115.1	I233 R255 P299 N343 A349	I233-Y257 HydrophobicContact CD1-CD1 4.09Å; I233-Y257 HydrophobicContact CD1-CE1 3.39Å; I233-Y257 HydrophobicContact CG1-CD1 3.56Å; I233-Y257 HydrophobicContact CG1-CE1 3.41Å; I233-Y257 VanDerWaalsContact CG1-CE1 3.41Å; R255-Y257 PolarHBondContact O-N 3.02Å; Y257-P299 HydrophobicContact CE1-CG 3.98Å; Y257-P299 WeakPolarHBondContact OH-CD 3.35Å; Y257-N343 VanDerWaalsContact CD2-ND2 3.26Å; Y257-N343 WeakPolarHBondContact CD2-ND2 3.38Å; Y257-A349 HydrophobicContact CD1-CB 4.49Å; Y257-A349 HydrophobicContact CE1-CB 4.31Å
258	D	86.5	Confident	73.1	Confident	26 Å²	26	71.2 Å²	71.2	14%	0.139	37%	0.368	C	S	.	.			trans	-115.6	70.5	-177.2	-162.5	-7.1	0	0	0	112	I231 E260 A261 M262	I231-D258 HydrophobicContact CG2-CB 4.38Å; I231-D258 WeakPolarHBondContact CG2-O 3.32Å; D258-E260 PolarHBondContact O-N 3.46Å; D258-E260 PolarHBondContact OD1-N 3.27Å; D258-A261 HydrophobicContact CB-CB 3.97Å; D258-A261 PolarHBondContact O-N 2.05Å; D258-A261 PolarHBondContact OD1-N 3.39Å; D258-A261 WeakPolarHBondContact OD2-CB 3.36Å; D258-M262 PolarHBondContact O-N 3.43Å
259	E	94.2	Very high	75.9	Confident	19 Å²	19	70 Å²	70	9%	0.089	35%	0.354	C	S	.	.	H	α-helix	trans	-64.1	-25.2	175.9	-167.2	175.4	175.8	0	0	112.1	M262 V263 W320 R340 G341 K342 N343 L347 A348	E259-M262 HydrophobicContact CG-SD 4.36Å; E259-M262 WeakPolarHBondContact O-CB 3.43Å; E259-M262 PolarHBondContact O-N 3.47Å; E259-V263 PolarHBondContact O-N 2.94Å; E259-W320 HydrophobicContact CG-CZ2 4.09Å; E259-W320 PolarHBondContact OE1-NE1 2.95Å; E259-R340 WeakPolarHBondContact OE1-CA 3.18Å; E259-G341 PolarHBondContact OE1-N 3.45Å; E259-G341 WeakPolarHBondContact OE2-CA 3.48Å; E259-G341 PolarHBondContact OE2-N 3.34Å; E259-K342 PolarHBondContact OE2-N 2.81Å; E259-K342 VanDerWaalsContact OE2-N 3.12Å; E259-N343 WeakPolarHBondContact OE2-CA 3.34Å; E259-N343 PolarHBondContact OE2-N 2.97Å; E259-L347 HydrophobicContact CG-CD1 3.96Å; E259-A348 HydrophobicContact CB-CB 3.79Å; E259-A348 HydrophobicContact CG-CB 4.3Å
260	E	93.2	Very high	78.6	Confident	77 Å²	77	64.2 Å²	64.2	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-72.2	-34.1	177.5	-163.8	64.5	-146.4	0	0	111.4	Y116 D258 M262 V263 E264	Y116-E260 HydrophobicContact CE2-CG 4.46Å; D258-E260 PolarHBondContact O-N 3.46Å; D258-E260 PolarHBondContact OD1-N 3.27Å; E260-M262 VanDerWaalsContact C-N 3.26Å; E260-M262 PolarHBondContact O-N 3.08Å; E260-V263 WeakPolarHBondContact O-CB 3.41Å; E260-V263 PolarHBondContact O-N 3.2Å; E260-V263 VanDerWaalsContact O-N 3.07Å; E260-E264 PolarHBondContact O-N 3.01Å
261	A	93.4	Very high	81.2	Confident	0 Å²	0	60 Å²	60	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-33.8	170.1	0	0	0	0	0	111.9	Y109 R111 I231 D258 V263 E264 A265	Y109-A261 HydrophobicContact CD1-CB 3.67Å; Y109-A261 HydrophobicContact CE1-CB 3.59Å; R111-A261 HydrophobicContact CB-CB 4.19Å; R111-A261 HydrophobicContact CG-CB 4.3Å; I231-A261 HydrophobicContact CG2-CB 3.57Å; D258-A261 HydrophobicContact CB-CB 3.97Å; D258-A261 PolarHBondContact O-N 2.05Å; D258-A261 PolarHBondContact OD1-N 3.39Å; D258-A261 WeakPolarHBondContact OD2-CB 3.36Å; A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 PolarHBondContact O-N 3.39Å; A261-E264 PolarHBondContact O-N 3.11Å; A261-A265 VanDerWaalsContact O-CB 3.32Å; A261-A265 WeakPolarHBondContact O-CB 3.23Å; A261-A265 PolarHBondContact O-N 2.88Å
262	M	96.9	Very high	84	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-37.5	171.1	-57.7	170.8	62.2	0	0	111.2	I231 D258 E259 E260 A265 V266 F274 W320 L347 A348 A351	I231-M262 HydrophobicContact CD1-CG 4.47Å; I231-M262 HydrophobicContact CG2-CG 4.05Å; D258-M262 PolarHBondContact O-N 3.43Å; E259-M262 HydrophobicContact CG-SD 4.36Å; E259-M262 WeakPolarHBondContact O-CB 3.43Å; E259-M262 PolarHBondContact O-N 3.47Å; E260-M262 VanDerWaalsContact C-N 3.26Å; E260-M262 PolarHBondContact O-N 3.08Å; M262-A265 PolarHBondContact O-N 3.15Å; M262-V266 WeakPolarHBondContact O-CB 3Å; M262-V266 WeakPolarHBondContact O-CG2 3.37Å; M262-V266 PolarHBondContact O-N 3.42Å; M262-F274 HydrophobicContact CE-CB 3.93Å; M262-F274 HydrophobicContact CE-CD1 4.14Å; M262-F274 HydrophobicContact CE-CG 4.05Å; M262-W320 HydrophobicContact CB-CH2 3.84Å; M262-W320 HydrophobicContact CB-CZ2 3.93Å; M262-L347 HydrophobicContact CE-CD1 3.98Å; M262-L347 HydrophobicContact SD-CD1 4.13Å; M262-A348 HydrophobicContact SD-CB 3.84Å; M262-A351 HydrophobicContact CE-CB 3.88Å; M262-A351 HydrophobicContact CG-CB 3.77Å; M262-A351 HydrophobicContact SD-CB 3.77Å
263	V	98.1	Very high	86.5	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-49.6	177.3	175.6	0	0	0	0	109.8	Y116 E259 E260 A261 A265 A267 Y311 W320	Y116-V263 HydrophobicContact CD2-CB 4.47Å; Y116-V263 HydrophobicContact CD2-CG1 3.79Å; Y116-V263 HydrophobicContact CG-CG1 4.28Å; E259-V263 PolarHBondContact O-N 2.94Å; E260-V263 WeakPolarHBondContact O-CB 3.41Å; E260-V263 PolarHBondContact O-N 3.2Å; E260-V263 VanDerWaalsContact O-N 3.07Å; A261-V263 VanDerWaalsContact C-N 3.29Å; A261-V263 PolarHBondContact O-N 3.39Å; V263-A265 PolarHBondContact O-N 3.27Å; V263-A267 WeakPolarHBondContact O-CB 3.24Å; V263-A267 PolarHBondContact O-N 3.37Å; V263-Y311 HydrophobicContact CG1-CE1 3.93Å; V263-Y311 HydrophobicContact CG1-CE2 4.3Å; V263-W320 HydrophobicContact CB-CH2 4.24Å; V263-W320 HydrophobicContact CG2-CH2 3.59Å; V263-W320 HydrophobicContact CG2-CZ2 3.73Å
264	E	97.3	Very high	89.2	Confident	5 Å²	5	41.6 Å²	41.6	2%	0.023	18%	0.183	C	C	.	.	H	α-helix	trans	-57	-50	175.7	-175.6	173.8	75.4	0	0	111.8	Y109 R111 G112 Y116 E260 A261 V266 A267 L268	Y109-E264 WeakPolarHBondContact CE1-OE1 3.19Å; Y109-E264 WeakPolarHBondContact OH-CG 3.46Å; Y109-E264 PolarHBondContact OH-OE1 3.4Å; R111-E264 VanDerWaalsContact CA-OE1 3.32Å; R111-E264 WeakPolarHBondContact CA-OE1 3.35Å; R111-E264 HydrophobicContact CG-CB 4.34Å; G112-E264 WeakPolarHBondContact CA-OE2 3.32Å; G112-E264 VanDerWaalsContact N-CD 3.32Å; G112-E264 PolarHBondContact N-OE1 3.36Å; G112-E264 PolarHBondContact N-OE2 2.79Å; Y116-E264 HydrophobicContact CD1-CB 4.34Å; Y116-E264 HydrophobicContact CD1-CG 4.26Å; Y116-E264 HydrophobicContact CE1-CB 3.68Å; Y116-E264 HydrophobicContact CE1-CG 3.43Å; Y116-E264 VanDerWaalsContact CE1-CG 3.43Å; Y116-E264 WeakPolarHBondContact CE1-OE2 3.14Å; Y116-E264 HydrophobicContact CE2-CB 3.97Å; Y116-E264 VanDerWaalsContact CZ-CB 3.47Å; Y116-E264 VanDerWaalsContact CZ-OE2 3.29Å; Y116-E264 VanDerWaalsContact OH-CD 3.24Å; Y116-E264 PolarHBondContact OH-OE2 3.29Å; E260-E264 PolarHBondContact O-N 3.01Å; A261-E264 PolarHBondContact O-N 3.11Å; E264-V266 PolarHBondContact O-N 3.31Å; E264-A267 PolarHBondContact O-N 3.4Å; E264-A267 VanDerWaalsContact O-N 3.1Å; E264-L268 HydrophobicContact CG-CD1 3.65Å; E264-L268 HydrophobicContact CG-CG 4.22Å; E264-L268 WeakPolarHBondContact O-CB 3.45Å; E264-L268 WeakPolarHBondContact O-CG 3.43Å; E264-L268 PolarHBondContact O-N 3.22Å
265	A	97.6	Very high	91.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.3	-43.9	-175.3	0	0	0	0	0	112.4	Y109 I231 A261 M262 V263 A267 Y269 N270 V272 Y353	Y109-A265 HydrophobicContact CE2-CB 4.13Å; I231-A265 HydrophobicContact CD1-CB 3.74Å; A261-A265 VanDerWaalsContact O-CB 3.32Å; A261-A265 WeakPolarHBondContact O-CB 3.23Å; A261-A265 PolarHBondContact O-N 2.88Å; M262-A265 PolarHBondContact O-N 3.15Å; V263-A265 PolarHBondContact O-N 3.27Å; A265-A267 VanDerWaalsContact C-N 3.3Å; A265-A267 PolarHBondContact O-N 3.49Å; A265-Y269 HydrophobicContact CB-CD2 4.33Å; A265-Y269 WeakPolarHBondContact O-CA 3.36Å; A265-Y269 WeakPolarHBondContact O-CB 3.04Å; A265-Y269 PolarHBondContact O-N 2.61Å; A265-N270 PolarHBondContact O-N 3.26Å; A265-N270 VanDerWaalsContact O-N 3.16Å; A265-V272 HydrophobicContact CB-CG2 3.69Å; A265-Y353 HydrophobicContact CB-CD1 4.18Å; A265-Y353 HydrophobicContact CB-CE1 3.74Å
266	V	98.8	Very high	94	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-34.7	174.6	172.8	0	0	0	0	111.3	V120 W122 M262 E264 N270 V272 A308 Y311 W320	V120-V266 HydrophobicContact CG1-CG1 4.24Å; W122-V266 PolarHBondContact NE1-O 3.29Å; M262-V266 WeakPolarHBondContact O-CB 3Å; M262-V266 WeakPolarHBondContact O-CG2 3.37Å; M262-V266 PolarHBondContact O-N 3.42Å; E264-V266 PolarHBondContact O-N 3.31Å; V266-N270 WeakPolarHBondContact CA-O 2.88Å; V266-V272 HydrophobicContact CG2-CB 3.91Å; V266-V272 HydrophobicContact CG2-CG2 3.59Å; V266-A308 HydrophobicContact CG2-CB 4.16Å; V266-Y311 HydrophobicContact CB-CD1 4.29Å; V266-Y311 HydrophobicContact CB-CE1 4.41Å; V266-Y311 HydrophobicContact CG1-CD1 3.88Å; V266-Y311 HydrophobicContact CG1-CE1 4.19Å; V266-W320 HydrophobicContact CB-CZ3 4.14Å; V266-W320 HydrophobicContact CG1-CZ3 4.39Å; V266-W320 HydrophobicContact CG2-CZ3 3.89Å
267	A	98.4	Very high	95.9	Very high	11 Å²	11	19.7 Å²	19.7	9%	0.091	9%	0.093	C	C	.	.	H	α-helix	trans	-72.5	-42	-179.4	0	0	0	0	0	113.6	V120 V263 E264 A265 Y311	V120-A267 HydrophobicContact CG2-CB 4.24Å; V263-A267 WeakPolarHBondContact O-CB 3.24Å; V263-A267 PolarHBondContact O-N 3.37Å; E264-A267 PolarHBondContact O-N 3.4Å; E264-A267 VanDerWaalsContact O-N 3.1Å; A265-A267 VanDerWaalsContact C-N 3.3Å; A265-A267 PolarHBondContact O-N 3.49Å; A267-Y311 HydrophobicContact CB-CE1 4.1Å; A267-Y311 WeakPolarHBondContact CB-OH 3.26Å
268	L	97.8	Very high	96.9	Very high	90 Å²	90	18 Å²	18	47%	0.471	9%	0.086	S	C	.	.	H	α-helix	trans	-104.8	-29.3	-166.6	-58.5	-174.1	0	0	0	113.7	Y116 E264	Y116-L268 HydrophobicContact CE1-CD1 4.34Å; E264-L268 HydrophobicContact CG-CD1 3.65Å; E264-L268 HydrophobicContact CG-CG 4.22Å; E264-L268 WeakPolarHBondContact O-CB 3.45Å; E264-L268 WeakPolarHBondContact O-CG 3.43Å; E264-L268 PolarHBondContact O-N 3.22Å
269	Y	97.7	Very high	97.4	Very high	109 Å²	109	17.5 Å²	17.5	43%	0.427	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-71.1	-167.4	-52.2	-53.9	0	0	0	113.1	Y109 A265 Y353	Y109-Y269 HydrophobicContact CE2-CD2 4.34Å; Y109-Y269 HydrophobicContact CE2-CE2 4.11Å; Y109-Y269 WeakPolarHBondContact OH-CE2 3.24Å; A265-Y269 HydrophobicContact CB-CD2 4.33Å; A265-Y269 WeakPolarHBondContact O-CA 3.36Å; A265-Y269 WeakPolarHBondContact O-CB 3.04Å; A265-Y269 PolarHBondContact O-N 2.61Å; Y269-Y353 WeakPolarHBondContact CD2-OH 3.47Å
270	N	97.2	Very high	97.6	Very high	11 Å²	11	20.1 Å²	20.1	6%	0.059	10%	0.096	C	C	.	.			trans	-167.2	169.5	-173	58	77.4	0	0	0	111.9	I156 A265 V266 Y353	I156-N270 HydrophobicContact CD1-CB 3.86Å; A265-N270 PolarHBondContact O-N 3.26Å; A265-N270 VanDerWaalsContact O-N 3.16Å; V266-N270 WeakPolarHBondContact CA-O 2.88Å; N270-Y353 WeakPolarHBondContact ND2-CD2 3.27Å; N270-Y353 VanDerWaalsContact ND2-CE2 3.32Å; N270-Y353 WeakPolarHBondContact ND2-CE2 3.37Å; N270-Y353 WeakPolarHBondContact OD1-CB 3.31Å; N270-Y353 WeakPolarHBondContact OD1-CD2 3.35Å
271	P	98.8	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.			trans	-55.9	134.4	168.9	-30	39.1	0	0	0	113.8	W122 L307 A308 V309	W122-P271 HydrophobicContact CB-CG 4.11Å; W122-P271 HydrophobicContact CD2-CG 4.45Å; W122-P271 HydrophobicContact CG-CG 3.84Å; P271-L307 HydrophobicContact CB-CD1 3.84Å; P271-L307 HydrophobicContact CB-CD2 4Å; P271-L307 HydrophobicContact CB-CG 3.85Å; P271-A308 CarbonylContact C-O 3.54Å; P271-A308 WeakPolarHBondContact CA-O 3.26Å; P271-A308 WeakPolarHBondContact CB-O 3.49Å; P271-V309 HydrophobicContact CB-CG1 4.19Å; P271-V309 HydrophobicContact CG-CG1 4.42Å
272	V	98.8	Very high	98.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.4	-172.4	175.2	0	0	0	0	110.8	I231 A265 V266 A308 A351 Y353	I231-V272 HydrophobicContact CD1-CG1 4.41Å; A265-V272 HydrophobicContact CB-CG2 3.69Å; V266-V272 HydrophobicContact CG2-CB 3.91Å; V266-V272 HydrophobicContact CG2-CG2 3.59Å; V272-A308 PolarHBondContact N-O 3.24Å; V272-A308 PolarHBondContact O-N 2.78Å; V272-A351 HydrophobicContact CG1-CB 3.75Å; V272-Y353 HydrophobicContact CG2-CD1 4.09Å
273	S	98.8	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	137.9	170.2	-74.2	0	0	0	0	110.2	S145 V306 A351 S352	S145-S273 PolarHBondContact O-OG 2.8Å; S145-S273 WeakPolarHBondContact OG-CB 3.21Å; S145-S273 PolarHBondContact OG-OG 2.85Å; S273-V306 WeakPolarHBondContact CA-O 3.03Å; S273-A351 CarbonylContact O-C 3.54Å; S273-A351 WeakPolarHBondContact O-CA 3.2Å; S273-S352 WeakPolarHBondContact CA-O 3.18Å; S273-S352 WeakPolarHBondContact CB-O 3.49Å; S273-S352 PolarHBondContact N-O 3.28Å; S273-S352 PolarHBondContact O-N 3.18Å
274	F	98.3	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.2	172.7	72.6	-90.1	0	0	0	111.5	M262 F276 A305 V306 A308 V322 L347 A351	M262-F274 HydrophobicContact CE-CB 3.93Å; M262-F274 HydrophobicContact CE-CD1 4.14Å; M262-F274 HydrophobicContact CE-CG 4.05Å; F274-F276 HydrophobicContact CD2-CD1 4.4Å; F274-F276 HydrophobicContact CE2-CB 4.24Å; F274-F276 AromaticContact CE2-CD1 3.78Å; F274-F276 HydrophobicContact CE2-CD1 3.78Å; F274-F276 HydrophobicContact CE2-CG 4.28Å; F274-A305 CarbonylContact O-C 3.56Å; F274-A305 VanDerWaalsContact O-CA 3.32Å; F274-A305 WeakPolarHBondContact O-CA 3.28Å; F274-V306 HydrophobicContact CD1-CG2 4.16Å; F274-V306 HydrophobicContact CD2-CG2 3.99Å; F274-V306 HydrophobicContact CE1-CG2 3.66Å; F274-V306 HydrophobicContact CE2-CG2 3.46Å; F274-V306 VanDerWaalsContact CE2-CG2 3.46Å; F274-V306 HydrophobicContact CG-CG2 4.32Å; F274-V306 HydrophobicContact CZ-CG2 3.3Å; F274-V306 PolarHBondContact N-O 3.25Å; F274-V306 PolarHBondContact O-N 2.77Å; F274-A308 HydrophobicContact CD1-CB 3.94Å; F274-A308 HydrophobicContact CE1-CB 3.77Å; F274-V322 HydrophobicContact CE1-CG1 3.76Å; F274-V322 HydrophobicContact CE1-CG2 3.97Å; F274-V322 HydrophobicContact CZ-CB 4.45Å; F274-V322 HydrophobicContact CZ-CG1 3.73Å; F274-V322 HydrophobicContact CZ-CG2 3.82Å; F274-L347 WeakPolarHBondContact CB-O 3.47Å; F274-L347 HydrophobicContact CD2-CB 3.62Å; F274-L347 HydrophobicContact CE2-CB 3.56Å; F274-L347 HydrophobicContact CZ-CB 4.49Å; F274-A351 HydrophobicContact CB-CB 3.94Å
275	A	97.9	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	147.6	174	0	0	0	0	0	111.5	W96 V302 H304 A305 L347	W96-A275 HydrophobicContact CH2-CB 3.79Å; W96-A275 HydrophobicContact CZ3-CB 4.34Å; A275-V302 HydrophobicContact CB-CB 4.02Å; A275-V302 HydrophobicContact CB-CG2 3.76Å; A275-H304 CarbonylContact C-O 3.59Å; A275-H304 VanDerWaalsContact CA-O 3.23Å; A275-H304 WeakPolarHBondContact CA-O 2.98Å; A275-A305 HydrophobicContact CB-CB 4.44Å; A275-L347 WeakPolarHBondContact O-CA 3.33Å
276	F	98.4	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	167.3	176	74.1	-74.3	0	0	0	111	F274 V278 F282 N303 H304 V306 F336 I338 C345 L347	F274-F276 HydrophobicContact CD2-CD1 4.4Å; F274-F276 HydrophobicContact CE2-CB 4.24Å; F274-F276 AromaticContact CE2-CD1 3.78Å; F274-F276 HydrophobicContact CE2-CD1 3.78Å; F274-F276 HydrophobicContact CE2-CG 4.28Å; F276-V278 HydrophobicContact CD2-CG2 4.43Å; F276-V278 HydrophobicContact CE1-CG2 4.36Å; F276-V278 HydrophobicContact CE2-CG2 3.65Å; F276-V278 HydrophobicContact CZ-CG2 3.6Å; F276-F282 HydrophobicContact CE2-CD1 4.27Å; F276-F282 HydrophobicContact CE2-CD2 4.25Å; F276-F282 HydrophobicContact CE2-CE1 4.06Å; F276-F282 HydrophobicContact CE2-CE2 4.03Å; F276-F282 HydrophobicContact CE2-CG 4.35Å; F276-F282 AromaticContact CE2-CZ 3.92Å; F276-F282 HydrophobicContact CE2-CZ 3.92Å; F276-F282 HydrophobicContact CZ-CD1 4.23Å; F276-F282 AromaticContact CZ-CE1 3.6Å; F276-F282 HydrophobicContact CZ-CE1 3.6Å; F276-F282 HydrophobicContact CZ-CE2 4.03Å; F276-F282 AromaticContact CZ-CZ 3.48Å; F276-F282 HydrophobicContact CZ-CZ 3.48Å; F276-F282 VanDerWaalsContact CZ-CZ 3.48Å; F276-N303 PolarHBondContact O-N 3.44Å; F276-N303 PolarHBondContact O-OD1 2.94Å; F276-H304 HydrophobicContact CE1-CB 4.43Å; F276-H304 AromaticContact CE1-CD2 3.71Å; F276-H304 AromaticContact CZ-CD2 4Å; F276-H304 PolarHBondContact N-O 3.01Å; F276-H304 PolarHBondContact O-N 3.25Å; F276-V306 HydrophobicContact CD1-CG2 3.76Å; F276-V306 HydrophobicContact CE1-CB 4.41Å; F276-V306 HydrophobicContact CE1-CG1 3.89Å; F276-V306 HydrophobicContact CE1-CG2 3.59Å; F276-F336 AromaticContact CE1-CZ 3.93Å; F276-F336 HydrophobicContact CE1-CZ 3.93Å; F276-F336 HydrophobicContact CZ-CE2 4.37Å; F276-F336 AromaticContact CZ-CZ 3.87Å; F276-F336 HydrophobicContact CZ-CZ 3.87Å; F276-I338 HydrophobicContact CD2-CD1 4.47Å; F276-C345 CarbonylContact C-O 3.53Å; F276-C345 WeakPolarHBondContact CA-O 3.18Å; F276-C345 HydrophobicContact CB-CB 4.23Å; F276-C345 WeakPolarHBondContact CB-O 3.05Å; F276-C345 HydrophobicContact CD2-CB 3.95Å; F276-L347 HydrophobicContact CB-CB 4.2Å
277	E	98.6	Very high	98.3	Very high	25 Å²	25	26 Å²	26	12%	0.117	12%	0.124	C	C	.	.			trans	-83.5	115.8	173	-175.3	179.5	-160.4	0	0	110.8	T279 H296 K301 C345	E277-T279 HydrophobicContact CG-CG2 4.27Å; E277-H296 IonicContact OE1-CE1 2.97Å; E277-H296 IonicContact OE1-ND1 3.26Å; E277-H296 PolarHBondContact OE1-ND1 2.77Å; E277-H296 VanDerWaalsContact OE1-ND1 3.17Å; E277-H296 WeakPolarHBondContact OE2-CA 3.29Å; E277-H296 VanDerWaalsContact OE2-CB 3.23Å; E277-H296 WeakPolarHBondContact OE2-CB 3.32Å; E277-H296 IonicContact OE2-CG 2.77Å; E277-H296 PolarHBondContact OE2-N 2.49Å; E277-H296 IonicContact OE2-ND1 3.81Å; E277-H296 PolarHBondContact OE2-ND1 3.26Å; E277-K301 WeakPolarHBondContact CB-O 3.4Å; E277-K301 WeakPolarHBondContact CG-O 3.34Å; E277-C345 PolarHBondContact N-O 3.09Å; E277-C345 WeakPolarHBondContact O-CB 3.25Å
278	V	98.5	Very high	98.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	13%	0.13	C	C	.	.			trans	-80.2	131.8	165.7	169.9	0	0	0	0	109.6	F87 L95 F276 F282 M283 N303 H304 W326	F87-V278 HydrophobicContact CE2-CG1 4.34Å; F87-V278 WeakPolarHBondContact CZ-O 3.33Å; L95-V278 HydrophobicContact CD1-CB 4.13Å; L95-V278 HydrophobicContact CD1-CG1 4.04Å; L95-V278 HydrophobicContact CD2-CB 4.13Å; L95-V278 HydrophobicContact CD2-CG1 4.17Å; L95-V278 HydrophobicContact CD2-CG2 4.35Å; F276-V278 HydrophobicContact CD2-CG2 4.43Å; F276-V278 HydrophobicContact CE1-CG2 4.36Å; F276-V278 HydrophobicContact CE2-CG2 3.65Å; F276-V278 HydrophobicContact CZ-CG2 3.6Å; V278-F282 HydrophobicContact CB-CD1 4.36Å; V278-F282 HydrophobicContact CG1-CB 4.33Å; V278-F282 HydrophobicContact CG1-CD1 3.88Å; V278-F282 HydrophobicContact CG2-CD1 3.8Å; V278-F282 HydrophobicContact CG2-CE1 4.07Å; V278-M283 HydrophobicContact CG1-CG 4.22Å; V278-M283 HydrophobicContact CG1-SD 3.42Å; V278-M283 WeakPolarHBondContact CG1-SD 3.4Å; V278-N303 WeakPolarHBondContact CB-OD1 3.39Å; V278-N303 PolarHBondContact N-OD1 3.36Å; V278-N303 PolarHBondContact O-ND2 3.44Å; V278-H304 HydrophobicContact CB-CB 4.41Å; V278-H304 HydrophobicContact CG2-CB 3.46Å; V278-H304 VanDerWaalsContact CG2-CB 3.46Å; V278-W326 HydrophobicContact CG1-CH2 4.18Å; V278-W326 HydrophobicContact CG2-CH2 4.21Å
279	T	97.7	Very high	98.4	Very high	15 Å²	15	22.7 Å²	22.7	9%	0.092	11%	0.11	C	C	.	.			trans	-118.5	173.1	173.7	48.7	0	0	0	0	111.2	E277 D281 F282 M283 Y290 C295	E277-T279 HydrophobicContact CG-CG2 4.27Å; T279-D281 VanDerWaalsContact C-N 3.32Å; T279-D281 WeakPolarHBondContact CB-OD1 3.3Å; T279-D281 PolarHBondContact O-N 2.91Å; T279-D281 PolarHBondContact OG1-OD1 3.49Å; T279-F282 WeakPolarHBondContact O-CB 3.44Å; T279-F282 PolarHBondContact O-N 3.29Å; T279-M283 PolarHBondContact O-N 2.84Å; T279-Y290 PolarHBondContact OG1-OH 3.13Å; T279-Y290 VanDerWaalsContact OG1-OH 3.08Å; T279-C295 HydrophobicContact CG2-CB 4Å
280	Q	97.7	Very high	98.5	Very high	73 Å²	73	17.5 Å²	17.5	34%	0.341	9%	0.09	S	C	.	.	H	α-helix	trans	-56.8	-41.2	-173.2	176.9	170.3	24	0	0	113.9	F87 M283	F87-Q280 HydrophobicContact CB-CB 4.12Å; F87-Q280 HydrophobicContact CB-CG 4.25Å; F87-Q280 HydrophobicContact CD2-CB 4.14Å; F87-Q280 HydrophobicContact CG-CB 4Å; Q280-M283 WeakPolarHBondContact O-CB 3.49Å; Q280-M283 PolarHBondContact O-N 3.05Å
281	D	97.9	Very high	98.5	Very high	38 Å²	38	18.6 Å²	18.6	20%	0.203	10%	0.098	C	C	.	.	H	α-helix	trans	-65.2	-39.8	179.9	57.4	-28.8	0	0	0	112.5	M77 T279 M283 M284 Y290	M77-D281 HydrophobicContact CE-CB 4.46Å; T279-D281 VanDerWaalsContact C-N 3.32Å; T279-D281 WeakPolarHBondContact CB-OD1 3.3Å; T279-D281 PolarHBondContact O-N 2.91Å; T279-D281 PolarHBondContact OG1-OD1 3.49Å; D281-M283 VanDerWaalsContact C-N 3.25Å; D281-M283 PolarHBondContact O-N 3.35Å; D281-M284 PolarHBondContact O-N 3.16Å; D281-M284 VanDerWaalsContact O-N 3.15Å; D281-Y290 PolarHBondContact OD1-OH 3.35Å; D281-Y290 PolarHBondContact OD2-OH 2.83Å
282	F	98.8	Very high	98.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.4	-36.8	176.3	-172.7	-99.6	0	0	0	112.7	F276 V278 T279 M284 Y285 Y290 W326 W330 F336	F276-F282 HydrophobicContact CE2-CD1 4.27Å; F276-F282 HydrophobicContact CE2-CD2 4.25Å; F276-F282 HydrophobicContact CE2-CE1 4.06Å; F276-F282 HydrophobicContact CE2-CE2 4.03Å; F276-F282 HydrophobicContact CE2-CG 4.35Å; F276-F282 AromaticContact CE2-CZ 3.92Å; F276-F282 HydrophobicContact CE2-CZ 3.92Å; F276-F282 HydrophobicContact CZ-CD1 4.23Å; F276-F282 AromaticContact CZ-CE1 3.6Å; F276-F282 HydrophobicContact CZ-CE1 3.6Å; F276-F282 HydrophobicContact CZ-CE2 4.03Å; F276-F282 AromaticContact CZ-CZ 3.48Å; F276-F282 HydrophobicContact CZ-CZ 3.48Å; F276-F282 VanDerWaalsContact CZ-CZ 3.48Å; V278-F282 HydrophobicContact CB-CD1 4.36Å; V278-F282 HydrophobicContact CG1-CB 4.33Å; V278-F282 HydrophobicContact CG1-CD1 3.88Å; V278-F282 HydrophobicContact CG2-CD1 3.8Å; V278-F282 HydrophobicContact CG2-CE1 4.07Å; T279-F282 WeakPolarHBondContact O-CB 3.44Å; T279-F282 PolarHBondContact O-N 3.29Å; F282-M284 PolarHBondContact O-N 3.48Å; F282-M284 VanDerWaalsContact O-N 3.09Å; F282-Y285 WeakPolarHBondContact O-CB 3.1Å; F282-Y285 PolarHBondContact O-N 3.19Å; F282-Y290 HydrophobicContact CB-CE1 4.35Å; F282-Y290 HydrophobicContact CB-CE2 3.93Å; F282-Y290 AromaticContact CD2-CD1 3.6Å; F282-Y290 HydrophobicContact CD2-CD1 3.6Å; F282-Y290 AromaticContact CD2-CD2 3.89Å; F282-Y290 HydrophobicContact CD2-CD2 3.89Å; F282-Y290 AromaticContact CD2-CE1 3.54Å; F282-Y290 HydrophobicContact CD2-CE1 3.54Å; F282-Y290 AromaticContact CD2-CE2 3.83Å; F282-Y290 HydrophobicContact CD2-CE2 3.83Å; F282-Y290 AromaticContact CD2-CG 3.78Å; F282-Y290 HydrophobicContact CD2-CG 3.78Å; F282-Y290 AromaticContact CD2-CZ 3.66Å; F282-Y290 AromaticContact CE2-CD1 4Å; F282-Y290 HydrophobicContact CE2-CD1 4Å; F282-Y290 HydrophobicContact CE2-CE1 4.29Å; F282-Y290 HydrophobicContact CE2-CG 4.2Å; F282-Y290 HydrophobicContact CG-CE1 4.34Å; F282-Y290 HydrophobicContact CG-CE2 4.4Å; F282-W326 AromaticContact CD1-CH2 3.89Å; F282-W326 HydrophobicContact CD1-CH2 3.89Å; F282-W326 AromaticContact CD1-CZ3 3.95Å; F282-W326 HydrophobicContact CD1-CZ3 3.95Å; F282-W326 AromaticContact CE1-CH2 3.75Å; F282-W326 HydrophobicContact CE1-CH2 3.75Å; F282-W326 AromaticContact CE1-CZ3 3.71Å; F282-W326 HydrophobicContact CE1-CZ3 3.71Å; F282-W330 HydrophobicContact CD1-CZ2 4.29Å; F282-W330 AromaticContact CE1-CH2 3.77Å; F282-W330 HydrophobicContact CE1-CH2 3.77Å; F282-W330 AromaticContact CE1-CZ2 3.76Å; F282-W330 HydrophobicContact CE1-CZ2 3.76Å; F282-W330 HydrophobicContact CE2-CH2 4.27Å; F282-W330 AromaticContact CZ-CH2 3.55Å; F282-W330 HydrophobicContact CZ-CH2 3.55Å; F282-W330 AromaticContact CZ-CZ2 3.96Å; F282-W330 HydrophobicContact CZ-CZ2 3.96Å; F282-F336 AromaticContact CE2-CD2 3.63Å; F282-F336 HydrophobicContact CE2-CD2 3.63Å; F282-F336 AromaticContact CE2-CE2 3.68Å; F282-F336 HydrophobicContact CE2-CE2 3.68Å; F282-F336 HydrophobicContact CE2-CG 4.07Å; F282-F336 HydrophobicContact CE2-CZ 4.15Å; F282-F336 AromaticContact CZ-CD1 3.95Å; F282-F336 HydrophobicContact CZ-CD1 3.95Å; F282-F336 AromaticContact CZ-CD2 3.84Å; F282-F336 HydrophobicContact CZ-CD2 3.84Å; F282-F336 AromaticContact CZ-CE1 3.82Å; F282-F336 HydrophobicContact CZ-CE1 3.82Å; F282-F336 AromaticContact CZ-CE2 3.71Å; F282-F336 HydrophobicContact CZ-CE2 3.71Å; F282-F336 AromaticContact CZ-CG 3.94Å; F282-F336 HydrophobicContact CZ-CG 3.94Å; F282-F336 AromaticContact CZ-CZ 3.69Å; F282-F336 HydrophobicContact CZ-CZ 3.69Å
283	M	98.5	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-29.3	-179.8	-63.8	-53.8	-51.8	0	0	112.7	N80 F82 F87 I90 V278 T279 Q280 D281 W326 W330	N80-M283 PolarHBondContact ND2-O 3.38Å; F82-M283 HydrophobicContact CB-CE 4.43Å; F82-M283 HydrophobicContact CD1-CE 3.97Å; F82-M283 HydrophobicContact CD2-CE 3.54Å; F82-M283 HydrophobicContact CE1-CE 4.04Å; F82-M283 HydrophobicContact CE2-CE 3.62Å; F82-M283 HydrophobicContact CG-CE 3.72Å; F82-M283 HydrophobicContact CZ-CE 3.86Å; F87-M283 HydrophobicContact CD2-CG 4.07Å; F87-M283 HydrophobicContact CE2-CG 4.08Å; I90-M283 HydrophobicContact CD1-CB 4.21Å; I90-M283 HydrophobicContact CD1-CE 4.22Å; I90-M283 HydrophobicContact CD1-CG 3.95Å; I90-M283 HydrophobicContact CG2-CE 3.48Å; I90-M283 VanDerWaalsContact CG2-CE 3.48Å; I90-M283 HydrophobicContact CG2-CG 4.07Å; I90-M283 HydrophobicContact CG2-SD 3.67Å; V278-M283 HydrophobicContact CG1-CG 4.22Å; V278-M283 HydrophobicContact CG1-SD 3.42Å; V278-M283 WeakPolarHBondContact CG1-SD 3.4Å; T279-M283 PolarHBondContact O-N 2.84Å; Q280-M283 WeakPolarHBondContact O-CB 3.49Å; Q280-M283 PolarHBondContact O-N 3.05Å; D281-M283 VanDerWaalsContact C-N 3.25Å; D281-M283 PolarHBondContact O-N 3.35Å; M283-W326 HydrophobicContact CE-CE3 4.18Å; M283-W326 HydrophobicContact CE-CH2 3.69Å; M283-W326 HydrophobicContact CE-CZ2 4.12Å; M283-W326 HydrophobicContact CE-CZ3 3.71Å; M283-W326 HydrophobicContact SD-CH2 3.47Å; M283-W326 WeakPolarHBondContact SD-CH2 3.5Å; M283-W326 HydrophobicContact SD-CZ2 4.19Å; M283-W326 HydrophobicContact SD-CZ3 3.86Å; M283-W330 PolarHBondContact O-NE1 3.41Å
284	M	98.8	Very high	98.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.02	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	8.4	-179.4	-54.1	-61.8	171.7	0	0	113	N61 I65 M77 A78 D281 F282 R286	N61-M284 HydrophobicContact CB-CE 4.02Å; N61-M284 WeakPolarHBondContact ND2-CE 3.45Å; I65-M284 HydrophobicContact CD1-CB 4.38Å; I65-M284 HydrophobicContact CD1-CG 4.32Å; I65-M284 HydrophobicContact CD1-SD 4.27Å; I65-M284 HydrophobicContact CG1-CB 4.24Å; I65-M284 HydrophobicContact CG1-CG 4.38Å; M77-M284 CarbonylContact C-O 2.98Å; M77-M284 WeakPolarHBondContact CA-O 3.41Å; M77-M284 HydrophobicContact CB-CB 4.08Å; M77-M284 WeakPolarHBondContact CB-O 3.5Å; M77-M284 HydrophobicContact CE-CB 3.46Å; M77-M284 VanDerWaalsContact CE-CB 3.46Å; M77-M284 HydrophobicContact CE-CG 3.89Å; M77-M284 HydrophobicContact CG-CB 4.24Å; A78-M284 PolarHBondContact N-O 3.25Å; D281-M284 PolarHBondContact O-N 3.16Å; D281-M284 VanDerWaalsContact O-N 3.15Å; F282-M284 PolarHBondContact O-N 3.48Å; F282-M284 VanDerWaalsContact O-N 3.09Å; M284-R286 PolarHBondContact O-N 3.49Å
285	Y	98.9	Very high	98.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	137.5	178.5	171.6	-89.4	0	0	0	111.8	F75 F282 G288 Y290 W330 M332 F336 L337	F75-Y285 HydrophobicContact CB-CD2 4.3Å; F75-Y285 HydrophobicContact CB-CE2 4.09Å; F75-Y285 AromaticContact CD2-CD2 3.9Å; F75-Y285 HydrophobicContact CD2-CD2 3.9Å; F75-Y285 HydrophobicContact CG-CD2 4.39Å; F282-Y285 WeakPolarHBondContact O-CB 3.1Å; F282-Y285 PolarHBondContact O-N 3.19Å; Y285-G288 VanDerWaalsContact CE2-O 3.32Å; Y285-G288 WeakPolarHBondContact CE2-O 3.41Å; Y285-G288 PolarHBondContact OH-N 3.42Å; Y285-G288 PolarHBondContact OH-O 3.06Å; Y285-Y290 HydrophobicContact CD2-CD2 4.42Å; Y285-W330 AromaticContact CD1-CH2 3.83Å; Y285-W330 HydrophobicContact CD1-CH2 3.83Å; Y285-W330 HydrophobicContact CD1-CZ2 4.1Å; Y285-W330 HydrophobicContact CD1-CZ3 4.31Å; Y285-W330 HydrophobicContact CG-CH2 4.41Å; Y285-W330 HydrophobicContact CG-CZ2 4.43Å; Y285-M332 HydrophobicContact CE1-CG 4.23Å; Y285-M332 PolarHBondContact OH-SD 3.42Å; Y285-F336 HydrophobicContact CD1-CB 3.69Å; Y285-F336 HydrophobicContact CE1-CB 3.26Å; Y285-F336 HydrophobicContact CE2-CB 4.36Å; Y285-F336 HydrophobicContact CG-CB 4.42Å; Y285-L337 PolarHBondContact OH-N 3.38Å; Y285-L337 VanDerWaalsContact OH-N 3.12Å
286	R	98.8	Very high	98.1	Very high	114 Å²	114	35.2 Å²	35.2	43%	0.43	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-49	177.1	178.6	59.6	-174.2	86.8	-0.6	114	K76 A78 M284 G331 M332	K76-R286 WeakPolarHBondContact O-CB 3.09Å; K76-R286 PolarHBondContact O-N 2.85Å; A78-R286 HydrophobicContact CB-CB 3.63Å; A78-R286 HydrophobicContact CB-CG 3.69Å; M284-R286 PolarHBondContact O-N 3.49Å; R286-G331 PolarHBondContact NH1-O 3.19Å; R286-G331 CarbonylContact O-C 3.52Å; R286-G331 VanDerWaalsContact O-O 3.13Å; R286-M332 WeakPolarHBondContact O-CG 3.39Å
287	T	98.9	Very high	97.9	Very high	54 Å²	54	39.2 Å²	39.2	33%	0.331	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	163.1	-174	-171.5	0	0	0	0	111	F75 K76	F75-T287 CarbonylContact C-O 3.45Å; F75-T287 VanDerWaalsContact CA-O 3.27Å; F75-T287 WeakPolarHBondContact CA-O 3.4Å; F75-T287 WeakPolarHBondContact CB-O 3.09Å; K76-T287 HydrophobicContact CB-CG2 4.17Å; K76-T287 PolarHBondContact N-O 3.08Å; K76-T287 PolarHBondContact O-N 2.84Å
288	G	98.8	Very high	97.5	Very high	22 Å²	22	40.5 Å²	40.5	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.6	-171.7	-178	0	0	0	0	0	112.8	T74 Y285 L337	T74-G288 CarbonylContact O-C 3.14Å; T74-G288 WeakPolarHBondContact O-CA 3.05Å; Y285-G288 VanDerWaalsContact CE2-O 3.32Å; Y285-G288 WeakPolarHBondContact CE2-O 3.41Å; Y285-G288 PolarHBondContact OH-N 3.42Å; Y285-G288 PolarHBondContact OH-O 3.06Å; G288-L337 WeakPolarHBondContact O-CB 3.28Å
289	I	98.9	Very high	97.2	Very high	9 Å²	9	41 Å²	41	5%	0.046	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	105.2	-175.1	-56.7	170.6	0	0	0	108.6	T74 K314 I317 Y319 L337 E339	T74-I289 CarbonylContact C-O 3.57Å; T74-I289 WeakPolarHBondContact CB-O 3.42Å; T74-I289 PolarHBondContact O-N 3.02Å; T74-I289 PolarHBondContact OG1-O 3.16Å; I289-K314 HydrophobicContact CD1-CB 4.3Å; I289-I317 HydrophobicContact CD1-CB 3.73Å; I289-I317 HydrophobicContact CD1-CG2 3.68Å; I289-I317 HydrophobicContact CG2-CG2 4.01Å; I289-Y319 HydrophobicContact CD1-CD1 3.74Å; I289-Y319 HydrophobicContact CD1-CG 4.35Å; I289-Y319 HydrophobicContact CG1-CD1 4.1Å; I289-Y319 HydrophobicContact CG1-CG 4.33Å; I289-L337 HydrophobicContact CG1-CB 4.4Å; I289-L337 HydrophobicContact CG1-CD1 4.39Å; I289-E339 HydrophobicContact CG2-CB 3.98Å
290	Y	98.9	Very high	96.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.9	177	178.2	-102.6	0	0	0	111	F75 T279 D281 F282 Y285 S292 L337 I338 E339	F75-Y290 HydrophobicContact CD1-CD2 4.18Å; F75-Y290 HydrophobicContact CD2-CD2 4.17Å; F75-Y290 AromaticContact CE1-CD2 3.89Å; F75-Y290 HydrophobicContact CE1-CD2 3.89Å; F75-Y290 HydrophobicContact CE1-CE2 4.28Å; F75-Y290 AromaticContact CE2-CD2 3.88Å; F75-Y290 HydrophobicContact CE2-CD2 3.88Å; F75-Y290 HydrophobicContact CE2-CE2 4.28Å; F75-Y290 HydrophobicContact CG-CD2 4.31Å; F75-Y290 AromaticContact CZ-CD2 3.73Å; F75-Y290 HydrophobicContact CZ-CD2 3.73Å; F75-Y290 AromaticContact CZ-CE2 3.9Å; F75-Y290 HydrophobicContact CZ-CE2 3.9Å; T279-Y290 PolarHBondContact OG1-OH 3.13Å; T279-Y290 VanDerWaalsContact OG1-OH 3.08Å; D281-Y290 PolarHBondContact OD1-OH 3.35Å; D281-Y290 PolarHBondContact OD2-OH 2.83Å; F282-Y290 HydrophobicContact CB-CE1 4.35Å; F282-Y290 HydrophobicContact CB-CE2 3.93Å; F282-Y290 AromaticContact CD2-CD1 3.6Å; F282-Y290 HydrophobicContact CD2-CD1 3.6Å; F282-Y290 AromaticContact CD2-CD2 3.89Å; F282-Y290 HydrophobicContact CD2-CD2 3.89Å; F282-Y290 AromaticContact CD2-CE1 3.54Å; F282-Y290 HydrophobicContact CD2-CE1 3.54Å; F282-Y290 AromaticContact CD2-CE2 3.83Å; F282-Y290 HydrophobicContact CD2-CE2 3.83Å; F282-Y290 AromaticContact CD2-CG 3.78Å; F282-Y290 HydrophobicContact CD2-CG 3.78Å; F282-Y290 AromaticContact CD2-CZ 3.66Å; F282-Y290 AromaticContact CE2-CD1 4Å; F282-Y290 HydrophobicContact CE2-CD1 4Å; F282-Y290 HydrophobicContact CE2-CE1 4.29Å; F282-Y290 HydrophobicContact CE2-CG 4.2Å; F282-Y290 HydrophobicContact CG-CE1 4.34Å; F282-Y290 HydrophobicContact CG-CE2 4.4Å; Y285-Y290 HydrophobicContact CD2-CD2 4.42Å; Y290-S292 WeakPolarHBondContact OH-CB 3.1Å; Y290-L337 VanDerWaalsContact CB-O 3.27Å; Y290-L337 WeakPolarHBondContact CB-O 3.27Å; Y290-L337 PolarHBondContact N-O 3.06Å; Y290-I338 HydrophobicContact CD1-CD1 3.95Å; Y290-I338 HydrophobicContact CD1-CG1 4.01Å; Y290-I338 HydrophobicContact CE1-CD1 4.42Å; Y290-I338 WeakPolarHBondContact O-CA 3.48Å; Y290-E339 PolarHBondContact O-N 2.85Å
291	S	98.3	Very high	96.8	Very high	34 Å²	34	44.4 Å²	44.4	24%	0.238	24%	0.243	C	C	.	.			trans	-153	144.4	173.7	60	0	0	0	0	107.7
292	S	97.6	Very high	96.7	Very high	13 Å²	13	42.8 Å²	42.8	9%	0.091	24%	0.235	C	C	.	.			trans	-139.1	141.7	177.1	176.9	0	0	0	0	110.8	Y290 S294 C295 M344	Y290-S292 WeakPolarHBondContact OH-CB 3.1Å; S292-S294 PolarHBondContact OG-N 3.49Å; S292-S294 VanDerWaalsContact OG-N 3.15Å; S292-S294 PolarHBondContact OG-OG 3.07Å; S292-C295 PolarHBondContact OG-N 3Å; S292-M344 PolarHBondContact N-SD 3.28Å; S292-M344 VanDerWaalsContact N-SD 3.36Å; S292-M344 VanDerWaalsContact O-SD 3.38Å
293	T	95.1	Very high	96.7	Very high	155 Å²	155	43.5 Å²	43.5	95%	0.951	24%	0.238	S	C	*	.	S	Bend	trans	-92	-8.9	172.3	52.7	0	0	0	0	112.3
294	S	96	Very high	96.7	Very high	75 Å²	75	43.5 Å²	43.5	52%	0.524	24%	0.238	S	C	.	.	S	Bend	trans	-99.9	-19.6	-177.8	58	0	0	0	0	113.8	S292	S292-S294 PolarHBondContact OG-N 3.49Å; S292-S294 VanDerWaalsContact OG-N 3.15Å; S292-S294 PolarHBondContact OG-OG 3.07Å
295	C	97.8	Very high	96.7	Very high	10 Å²	10	43.3 Å²	43.3	7%	0.068	24%	0.237	C	C	.	.	S	Bend	trans	-74	137.8	173.5	65.7	0	0	0	0	110.8	T279 S292 C345	T279-C295 HydrophobicContact CG2-CB 4Å; S292-C295 PolarHBondContact OG-N 3Å; C295-C345 HydrophobicContact CB-CB 3.63Å; C295-C345 WeakPolarHBondContact CB-SG 3.49Å; C295-C345 WeakPolarHBondContact SG-CA 3.46Å; C295-C345 WeakPolarHBondContact SG-CB 3.34Å; C295-C345 PolarHBondContact SG-N 3.39Å; C295-C345 VanDerWaalsContact SG-N 3.39Å; C295-C345 CovalentContact SG-SG 2.05Å; C295-C345 PolarHBondContact SG-SG 3.42Å
296	H	97.2	Very high	96.7	Very high	95 Å²	95	43.3 Å²	43.3	44%	0.44	24%	0.238	S	C	.	.			trans	-73.2	167.2	173	-52.5	85.1	0	0	0	110.4	E277 K301 C345 G346	E277-H296 IonicContact OE1-CE1 2.97Å; E277-H296 IonicContact OE1-ND1 3.26Å; E277-H296 PolarHBondContact OE1-ND1 2.77Å; E277-H296 VanDerWaalsContact OE1-ND1 3.17Å; E277-H296 WeakPolarHBondContact OE2-CA 3.29Å; E277-H296 VanDerWaalsContact OE2-CB 3.23Å; E277-H296 WeakPolarHBondContact OE2-CB 3.32Å; E277-H296 IonicContact OE2-CG 2.77Å; E277-H296 PolarHBondContact OE2-N 2.49Å; E277-H296 IonicContact OE2-ND1 3.81Å; E277-H296 PolarHBondContact OE2-ND1 3.26Å; H296-K301 HydrophobicContact CB-CB 3.82Å; H296-K301 HydrophobicContact CB-CG 3.65Å; H296-C345 CarbonylContact O-C 3.55Å; H296-C345 WeakPolarHBondContact O-CA 3.43Å; H296-G346 PolarHBondContact O-N 2.97Å
297	K	94.3	Very high	96.7	Very high	84 Å²	84	38.1 Å²	38.1	37%	0.365	22%	0.218	S	C	.	.			trans	-121.6	19.7	-177.8	-55.8	-179.2	-176.9	-104.5	0	112.8	K342 N343	K297-K342 PolarHBondContact NZ-O 3.18Å; K297-N343 WeakPolarHBondContact CD-O 3.49Å; K297-N343 WeakPolarHBondContact CG-O 3.38Å; K297-N343 PolarHBondContact NZ-O 2.9Å; K297-N343 PolarHBondContact O-ND2 2.68Å
298	T	91.1	Very high	96.7	Very high	53 Å²	53	35.5 Å²	35.5	33%	0.325	20%	0.203	S	C	.	.	S	Bend	trans	-109.6	147.3	-171.7	57	0	0	0	0	111.9	D300 K301	T298-D300 WeakPolarHBondContact CB-OD1 3.35Å; T298-D300 PolarHBondContact O-N 3.4Å; T298-D300 PolarHBondContact OG1-OD1 3.05Å; T298-K301 PolarHBondContact O-N 3.1Å; T298-K301 VanDerWaalsContact O-N 3.11Å; T298-K301 WeakPolarHBondContact OG1-CG 3.3Å
299	P	90.6	Very high	96.7	Very high	10 Å²	10	34.5 Å²	34.5	7%	0.065	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.9	-179.9	-28.3	32.1	0	0	0	115.1	C102 S103 I233 Y257 K301 V302 A349	C102-P299 HydrophobicContact CB-CB 3.89Å; S103-P299 WeakPolarHBondContact OG-CB 3.46Å; I233-P299 HydrophobicContact CD1-CG 4.12Å; Y257-P299 HydrophobicContact CE1-CG 3.98Å; Y257-P299 WeakPolarHBondContact OH-CD 3.35Å; P299-K301 PolarHBondContact O-N 3.5Å; P299-V302 WeakPolarHBondContact O-CG2 3.47Å; P299-A349 HydrophobicContact CB-CB 4.34Å; P299-A349 HydrophobicContact CG-CB 4.05Å
300	D	91.6	Very high	96.7	Very high	78 Å²	78	34 Å²	34	42%	0.417	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.2	-177.9	66.7	-64.2	0	0	0	113.7	T298	T298-D300 WeakPolarHBondContact CB-OD1 3.35Å; T298-D300 PolarHBondContact O-N 3.4Å; T298-D300 PolarHBondContact OG1-OD1 3.05Å
301	K	95.8	Very high	96.7	Very high	83 Å²	83	34.2 Å²	34.2	36%	0.361	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-16.7	-176.9	-60	-59.2	-176.3	-153.7	0	113.9	E277 H296 T298 P299 N303	E277-K301 WeakPolarHBondContact CB-O 3.4Å; E277-K301 WeakPolarHBondContact CG-O 3.34Å; H296-K301 HydrophobicContact CB-CB 3.82Å; H296-K301 HydrophobicContact CB-CG 3.65Å; T298-K301 PolarHBondContact O-N 3.1Å; T298-K301 VanDerWaalsContact O-N 3.11Å; T298-K301 WeakPolarHBondContact OG1-CG 3.3Å; P299-K301 PolarHBondContact O-N 3.5Å; K301-N303 PolarHBondContact O-N 2.67Å
302	V	96.3	Very high	96.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	18%	0.179	C	C	.	.			trans	-64	137.7	177.5	-51.3	0	0	0	0	109.7	W96 A275 P299 A349	W96-V302 HydrophobicContact CZ3-CG2 4Å; A275-V302 HydrophobicContact CB-CB 4.02Å; A275-V302 HydrophobicContact CB-CG2 3.76Å; P299-V302 WeakPolarHBondContact O-CG2 3.47Å; V302-A349 HydrophobicContact CG1-CB 4.26Å
303	N	98.1	Very high	96.8	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.08	20%	0.201	C	C	.	.			trans	-142.9	5.9	-169.4	63.1	17.1	0	0	0	113.3	W96 F276 V278 K301	W96-N303 PolarHBondContact N-O 3.01Å; W96-N303 VanDerWaalsContact N-O 3.16Å; F276-N303 PolarHBondContact O-N 3.44Å; F276-N303 PolarHBondContact O-OD1 2.94Å; V278-N303 WeakPolarHBondContact CB-OD1 3.39Å; V278-N303 PolarHBondContact N-OD1 3.36Å; V278-N303 PolarHBondContact O-ND2 3.44Å; K301-N303 PolarHBondContact O-N 2.67Å
304	H	98.8	Very high	96.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	134.1	-179.2	-168	57.5	0	0	0	110.6	L95 C141 A275 F276 V278 V306 N324 W326	L95-H304 HydrophobicContact CD2-CB 4.28Å; C141-H304 WeakPolarHBondContact CB-CE1 3.42Å; C141-H304 VanDerWaalsContact CB-ND1 3.27Å; C141-H304 WeakPolarHBondContact CB-ND1 3.26Å; C141-H304 PolarHBondContact SG-ND1 2.9Å; A275-H304 CarbonylContact C-O 3.59Å; A275-H304 VanDerWaalsContact CA-O 3.23Å; A275-H304 WeakPolarHBondContact CA-O 2.98Å; F276-H304 HydrophobicContact CE1-CB 4.43Å; F276-H304 AromaticContact CE1-CD2 3.71Å; F276-H304 AromaticContact CZ-CD2 4Å; F276-H304 PolarHBondContact N-O 3.01Å; F276-H304 PolarHBondContact O-N 3.25Å; V278-H304 HydrophobicContact CB-CB 4.41Å; V278-H304 HydrophobicContact CG2-CB 3.46Å; V278-H304 VanDerWaalsContact CG2-CB 3.46Å; H304-V306 VanDerWaalsContact CD2-CG1 3.47Å; H304-V306 WeakPolarHBondContact CD2-CG1 3.06Å; H304-V306 WeakPolarHBondContact NE2-CG1 3.23Å; H304-N324 PolarHBondContact NE2-OD1 3.06Å; H304-W326 AromaticContact CE1-CE2 3.67Å; H304-W326 AromaticContact CE1-CZ2 3.55Å; H304-W326 AromaticContact CE1-NE1 3.53Å; H304-W326 AromaticContact ND1-CZ2 3.93Å; H304-W326 AromaticContact NE2-CE2 3.87Å; H304-W326 AromaticContact NE2-CZ2 3.59Å
305	A	98.8	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	142.6	177.6	0	0	0	0	0	111.8	W96 C141 W142 P186 F274 A275	W96-A305 HydrophobicContact CH2-CB 4.23Å; W96-A305 HydrophobicContact CZ2-CB 3.71Å; C141-A305 PolarHBondContact SG-N 3.26Å; C141-A305 VanDerWaalsContact SG-N 3.44Å; W142-A305 HydrophobicContact CB-CB 4.22Å; P186-A305 HydrophobicContact CG-CB 4.12Å; F274-A305 CarbonylContact O-C 3.56Å; F274-A305 VanDerWaalsContact O-CA 3.32Å; F274-A305 WeakPolarHBondContact O-CA 3.28Å; A275-A305 HydrophobicContact CB-CB 4.44Å
306	V	98.9	Very high	97	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	170.8	-169.8	-70.7	0	0	0	0	110.9	S145 S273 F274 F276 H304 V322 F336	S145-V306 PolarHBondContact OG-O 2.88Å; S273-V306 WeakPolarHBondContact CA-O 3.03Å; F274-V306 HydrophobicContact CD1-CG2 4.16Å; F274-V306 HydrophobicContact CD2-CG2 3.99Å; F274-V306 HydrophobicContact CE1-CG2 3.66Å; F274-V306 HydrophobicContact CE2-CG2 3.46Å; F274-V306 VanDerWaalsContact CE2-CG2 3.46Å; F274-V306 HydrophobicContact CG-CG2 4.32Å; F274-V306 HydrophobicContact CZ-CG2 3.3Å; F274-V306 PolarHBondContact N-O 3.25Å; F274-V306 PolarHBondContact O-N 2.77Å; F276-V306 HydrophobicContact CD1-CG2 3.76Å; F276-V306 HydrophobicContact CE1-CB 4.41Å; F276-V306 HydrophobicContact CE1-CG1 3.89Å; F276-V306 HydrophobicContact CE1-CG2 3.59Å; H304-V306 VanDerWaalsContact CD2-CG1 3.47Å; H304-V306 WeakPolarHBondContact CD2-CG1 3.06Å; H304-V306 WeakPolarHBondContact NE2-CG1 3.23Å; V306-V322 HydrophobicContact CB-CG1 3.63Å; V306-V322 HydrophobicContact CG1-CG1 4.46Å; V306-V322 HydrophobicContact CG2-CG1 3.54Å; V306-F336 HydrophobicContact CG1-CE1 4.22Å; V306-F336 HydrophobicContact CG1-CZ 4.49Å; V306-F336 HydrophobicContact CG2-CZ 4.28Å
307	L	98.9	Very high	97	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.2	-174.1	-173.9	73.7	0	0	0	112.2	A149 P271 V309 V322 K323	A149-L307 HydrophobicContact CB-CD1 3.64Å; P271-L307 HydrophobicContact CB-CD1 3.84Å; P271-L307 HydrophobicContact CB-CD2 4Å; P271-L307 HydrophobicContact CB-CG 3.85Å; L307-V309 HydrophobicContact CD2-CG1 3.83Å; L307-V309 HydrophobicContact CG-CG1 3.99Å; L307-V309 PolarHBondContact O-N 3Å; L307-V322 CarbonylContact O-C 3.59Å; L307-V322 WeakPolarHBondContact O-CA 3.39Å; L307-K323 HydrophobicContact CB-CB 4.25Å; L307-K323 HydrophobicContact CD2-CD 4.42Å; L307-K323 PolarHBondContact N-O 3.37Å; L307-K323 PolarHBondContact O-N 2.86Å
308	A	98.9	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	111.7	169.5	0	0	0	0	0	109.9	V266 P271 V272 F274 W320	V266-A308 HydrophobicContact CG2-CB 4.16Å; P271-A308 CarbonylContact C-O 3.54Å; P271-A308 WeakPolarHBondContact CA-O 3.26Å; P271-A308 WeakPolarHBondContact CB-O 3.49Å; V272-A308 PolarHBondContact N-O 3.24Å; V272-A308 PolarHBondContact O-N 2.78Å; F274-A308 HydrophobicContact CD1-CB 3.94Å; F274-A308 HydrophobicContact CE1-CB 3.77Å; A308-W320 HydrophobicContact CB-CE3 4.14Å
309	V	98.9	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	6	-178	-61.1	0	0	0	0	112.9	W122 R123 V129 P271 L307 I321 K323 Y335	W122-V309 WeakPolarHBondContact CB-O 3.45Å; W122-V309 VanDerWaalsContact CD1-O 3.28Å; W122-V309 PolarHBondContact N-O 3.37Å; R123-V309 HydrophobicContact CG-CG2 4.42Å; V129-V309 HydrophobicContact CG1-CG1 3.9Å; V129-V309 HydrophobicContact CG2-CB 4.14Å; V129-V309 HydrophobicContact CG2-CG1 4.01Å; P271-V309 HydrophobicContact CB-CG1 4.19Å; P271-V309 HydrophobicContact CG-CG1 4.42Å; L307-V309 HydrophobicContact CD2-CG1 3.83Å; L307-V309 HydrophobicContact CG-CG1 3.99Å; L307-V309 PolarHBondContact O-N 3Å; V309-I321 HydrophobicContact CG2-CB 4.19Å; V309-I321 HydrophobicContact CG2-CG2 3.71Å; V309-I321 WeakPolarHBondContact CG2-O 3.39Å; V309-I321 PolarHBondContact N-O 3.34Å; V309-K323 HydrophobicContact CG1-CB 4.12Å; V309-Y335 HydrophobicContact CG2-CD1 4.15Å; V309-Y335 HydrophobicContact CG2-CE1 3.81Å
310	G	98.9	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.6	178.6	-175.7	0	0	0	0	0	112.4	V120 I321	V120-G310 CarbonylContact O-C 3.36Å; V120-G310 WeakPolarHBondContact O-CA 3.2Å; G310-I321 PolarHBondContact O-N 2.95Å
311	Y	98.9	Very high	98.3	Very high	4 Å²	4	33 Å²	33	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	165.8	176.4	61.8	-98.6	0	0	0	110.2	P117 S119 V120 V263 V266 A267 Y319 W320	P117-Y311 WeakPolarHBondContact O-CE2 3.32Å; P117-Y311 PolarHBondContact O-OH 2.94Å; S119-Y311 CarbonylContact C-O 3.56Å; S119-Y311 VanDerWaalsContact CA-O 3.28Å; S119-Y311 WeakPolarHBondContact CA-O 3.37Å; V120-Y311 HydrophobicContact CB-CD1 4.15Å; V120-Y311 HydrophobicContact CB-CE1 3.83Å; V120-Y311 HydrophobicContact CG2-CD1 4.48Å; V120-Y311 HydrophobicContact CG2-CE1 3.68Å; V120-Y311 HydrophobicContact CG2-CE2 4.31Å; V120-Y311 WeakPolarHBondContact CG2-OH 3.23Å; V120-Y311 PolarHBondContact N-O 3.04Å; V120-Y311 PolarHBondContact O-N 3.2Å; V120-Y311 VanDerWaalsContact O-O 3.06Å; V263-Y311 HydrophobicContact CG1-CE1 3.93Å; V263-Y311 HydrophobicContact CG1-CE2 4.3Å; V266-Y311 HydrophobicContact CB-CD1 4.29Å; V266-Y311 HydrophobicContact CB-CE1 4.41Å; V266-Y311 HydrophobicContact CG1-CD1 3.88Å; V266-Y311 HydrophobicContact CG1-CE1 4.19Å; A267-Y311 HydrophobicContact CB-CE1 4.1Å; A267-Y311 WeakPolarHBondContact CB-OH 3.26Å; Y311-Y319 CarbonylContact C-O 3.57Å; Y311-Y319 VanDerWaalsContact CA-O 3.23Å; Y311-Y319 WeakPolarHBondContact CA-O 3.49Å; Y311-Y319 VanDerWaalsContact CB-O 3.25Å; Y311-Y319 WeakPolarHBondContact CB-O 3.47Å; Y311-W320 HydrophobicContact CD1-CE3 4.42Å; Y311-W320 HydrophobicContact CD1-CH2 4.41Å; Y311-W320 AromaticContact CD1-CZ3 3.76Å; Y311-W320 HydrophobicContact CD1-CZ3 3.76Å; Y311-W320 HydrophobicContact CG-CZ3 4.2Å
312	G	98.8	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-156.5	173.5	0	0	0	0	0	111.3	P318 Y319 R340	G312-P318 WeakPolarHBondContact O-CA 3.2Å; G312-Y319 PolarHBondContact N-O 2.91Å; G312-Y319 PolarHBondContact O-N 2.88Å; G312-R340 PolarHBondContact O-NH2 3.23Å
313	E	98.6	Very high	98.6	Very high	119 Å²	119	29.7 Å²	29.7	56%	0.556	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	142.7	176.1	-171.9	176.4	130.9	0	0	109.6	G316 I317 Y319	E313-G316 VanDerWaalsContact OE1-CA 3.25Å; E313-G316 WeakPolarHBondContact OE1-CA 3.46Å; E313-I317 WeakPolarHBondContact CA-O 3.35Å; E313-Y319 VanDerWaalsContact C-CE1 3.48Å
314	K	98.1	Very high	98.7	Very high	130 Å²	130	29.2 Å²	29.2	57%	0.565	16%	0.157	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139	126.3	173	-173.6	175.9	-176.8	177.8	0	109.3	I289 G316 I317 Y319	I289-K314 HydrophobicContact CD1-CB 4.3Å; K314-G316 VanDerWaalsContact C-N 3.28Å; K314-G316 PolarHBondContact O-N 2.63Å; K314-I317 PolarHBondContact N-O 3.17Å; K314-I317 WeakPolarHBondContact O-CB 3.32Å; K314-I317 PolarHBondContact O-N 3.11Å; K314-Y319 HydrophobicContact CB-CD1 4.4Å; K314-Y319 HydrophobicContact CB-CE1 3.92Å
315	N	96.8	Very high	98.7	Very high	151 Å²	151	29.5 Å²	29.5	81%	0.807	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	41.7	179.9	-55.7	-17.4	0	0	0	113.2	I317	N315-I317 VanDerWaalsContact C-N 3.26Å; N315-I317 PolarHBondContact O-N 3.35Å
316	G	97.7	Very high	98.7	Very high	55 Å²	55	29.6 Å²	29.6	57%	0.567	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	0.7	-177.8	0	0	0	0	0	115	E313 K314 P318	E313-G316 VanDerWaalsContact OE1-CA 3.25Å; E313-G316 WeakPolarHBondContact OE1-CA 3.46Å; K314-G316 VanDerWaalsContact C-N 3.28Å; K314-G316 PolarHBondContact O-N 2.63Å; G316-P318 WeakPolarHBondContact O-CD 3.39Å
317	I	98.5	Very high	98.6	Very high	43 Å²	43	29.7 Å²	29.7	22%	0.221	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	107.4	-177.6	-51.9	179.5	0	0	0	109.5	T74 I289 E313 K314 N315 E339	T74-I317 HydrophobicContact CG2-CD1 3.54Å; I289-I317 HydrophobicContact CD1-CB 3.73Å; I289-I317 HydrophobicContact CD1-CG2 3.68Å; I289-I317 HydrophobicContact CG2-CG2 4.01Å; E313-I317 WeakPolarHBondContact CA-O 3.35Å; K314-I317 PolarHBondContact N-O 3.17Å; K314-I317 WeakPolarHBondContact O-CB 3.32Å; K314-I317 PolarHBondContact O-N 3.11Å; N315-I317 VanDerWaalsContact C-N 3.26Å; N315-I317 PolarHBondContact O-N 3.35Å; I317-E339 HydrophobicContact CG2-CG 4.15Å
318	P	98.7	Very high	98.6	Very high	33 Å²	33	33.2 Å²	33.2	21%	0.214	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.9	176.5	27.7	-34	0	0	0	110.7	G312 G316 R340	G312-P318 WeakPolarHBondContact O-CA 3.2Å; G316-P318 WeakPolarHBondContact O-CD 3.39Å; P318-R340 HydrophobicContact CB-CB 4.24Å; P318-R340 VanDerWaalsContact CB-NH2 3.31Å; P318-R340 WeakPolarHBondContact CG-O 3.45Å; P318-R340 PolarHBondContact O-N 3.17Å
319	Y	98.9	Very high	98.5	Very high	41 Å²	41	40.3 Å²	40.3	16%	0.161	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	157.6	-179.2	63.8	-99.6	0	0	0	113	I289 Y311 G312 E313 K314 I321 L337 I338 R340	I289-Y319 HydrophobicContact CD1-CD1 3.74Å; I289-Y319 HydrophobicContact CD1-CG 4.35Å; I289-Y319 HydrophobicContact CG1-CD1 4.1Å; I289-Y319 HydrophobicContact CG1-CG 4.33Å; Y311-Y319 CarbonylContact C-O 3.57Å; Y311-Y319 VanDerWaalsContact CA-O 3.23Å; Y311-Y319 WeakPolarHBondContact CA-O 3.49Å; Y311-Y319 VanDerWaalsContact CB-O 3.25Å; Y311-Y319 WeakPolarHBondContact CB-O 3.47Å; G312-Y319 PolarHBondContact N-O 2.91Å; G312-Y319 PolarHBondContact O-N 2.88Å; E313-Y319 VanDerWaalsContact C-CE1 3.48Å; K314-Y319 HydrophobicContact CB-CD1 4.4Å; K314-Y319 HydrophobicContact CB-CE1 3.92Å; Y319-I321 HydrophobicContact CD2-CG1 4.12Å; Y319-I321 HydrophobicContact CE2-CD1 4.26Å; Y319-I321 HydrophobicContact CE2-CG1 3.67Å; Y319-L337 HydrophobicContact CD1-CD1 4.48Å; Y319-L337 HydrophobicContact CD2-CB 4.15Å; Y319-L337 HydrophobicContact CD2-CD1 4.01Å; Y319-L337 HydrophobicContact CD2-CD2 3.75Å; Y319-L337 HydrophobicContact CD2-CG 4.19Å; Y319-L337 HydrophobicContact CE1-CD1 4.48Å; Y319-L337 HydrophobicContact CE2-CD1 4.04Å; Y319-L337 HydrophobicContact CE2-CD2 3.85Å; Y319-L337 HydrophobicContact CE2-CG 4.47Å; Y319-L337 HydrophobicContact CG-CB 4.3Å; Y319-L337 HydrophobicContact CG-CD1 4.25Å; Y319-I338 CarbonylContact C-O 3.49Å; Y319-I338 VanDerWaalsContact CA-O 3.22Å; Y319-I338 WeakPolarHBondContact CA-O 3.33Å; Y319-I338 WeakPolarHBondContact CB-O 3.23Å; Y319-R340 PolarHBondContact O-NE 3.31Å
320	W	98.9	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	146.5	163.2	-68.4	108.4	0	0	0	110.7	E259 M262 V263 V266 A308 Y311 V322 L337 I338 R340	E259-W320 HydrophobicContact CG-CZ2 4.09Å; E259-W320 PolarHBondContact OE1-NE1 2.95Å; M262-W320 HydrophobicContact CB-CH2 3.84Å; M262-W320 HydrophobicContact CB-CZ2 3.93Å; V263-W320 HydrophobicContact CB-CH2 4.24Å; V263-W320 HydrophobicContact CG2-CH2 3.59Å; V263-W320 HydrophobicContact CG2-CZ2 3.73Å; V266-W320 HydrophobicContact CB-CZ3 4.14Å; V266-W320 HydrophobicContact CG1-CZ3 4.39Å; V266-W320 HydrophobicContact CG2-CZ3 3.89Å; A308-W320 HydrophobicContact CB-CE3 4.14Å; Y311-W320 HydrophobicContact CD1-CE3 4.42Å; Y311-W320 HydrophobicContact CD1-CH2 4.41Å; Y311-W320 AromaticContact CD1-CZ3 3.76Å; Y311-W320 HydrophobicContact CD1-CZ3 3.76Å; Y311-W320 HydrophobicContact CG-CZ3 4.2Å; W320-V322 HydrophobicContact CB-CG2 3.74Å; W320-L337 VanDerWaalsContact O-CA 3.22Å; W320-L337 WeakPolarHBondContact O-CA 3.41Å; W320-I338 HydrophobicContact CB-CG2 3.79Å; W320-I338 HydrophobicContact CG-CG2 4.42Å; W320-I338 PolarHBondContact N-O 2.98Å; W320-I338 PolarHBondContact O-N 3.48Å; W320-R340 HydrophobicContact CD2-CG 4.27Å; W320-R340 VanDerWaalsContact CE2-CD 3.41Å; W320-R340 HydrophobicContact CG-CB 4.19Å; W320-R340 HydrophobicContact CG-CG 4.44Å; W320-R340 HydrophobicContact CZ2-CG 3.93Å; W320-R340 VanDerWaalsContact NE1-CG 3.35Å
321	I	98.9	Very high	98.5	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.046	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.7	167.4	-54.3	171.8	0	0	0	106.9	D121 V309 G310 Y319 Y335 L337	D121-I321 HydrophobicContact CB-CD1 4.02Å; V309-I321 HydrophobicContact CG2-CB 4.19Å; V309-I321 HydrophobicContact CG2-CG2 3.71Å; V309-I321 WeakPolarHBondContact CG2-O 3.39Å; V309-I321 PolarHBondContact N-O 3.34Å; G310-I321 PolarHBondContact O-N 2.95Å; Y319-I321 HydrophobicContact CD2-CG1 4.12Å; Y319-I321 HydrophobicContact CE2-CD1 4.26Å; Y319-I321 HydrophobicContact CE2-CG1 3.67Å; I321-Y335 HydrophobicContact CG2-CD1 4.38Å; I321-L337 HydrophobicContact CB-CD2 4.25Å; I321-L337 HydrophobicContact CG1-CD2 3.88Å; I321-L337 HydrophobicContact CG2-CD2 4.34Å
322	V	98.9	Very high	98.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.5	-167.8	-170.3	0	0	0	0	111	F274 V306 L307 W320 Y335 F336 I338	F274-V322 HydrophobicContact CE1-CG1 3.76Å; F274-V322 HydrophobicContact CE1-CG2 3.97Å; F274-V322 HydrophobicContact CZ-CB 4.45Å; F274-V322 HydrophobicContact CZ-CG1 3.73Å; F274-V322 HydrophobicContact CZ-CG2 3.82Å; V306-V322 HydrophobicContact CB-CG1 3.63Å; V306-V322 HydrophobicContact CG1-CG1 4.46Å; V306-V322 HydrophobicContact CG2-CG1 3.54Å; L307-V322 CarbonylContact O-C 3.59Å; L307-V322 WeakPolarHBondContact O-CA 3.39Å; W320-V322 HydrophobicContact CB-CG2 3.74Å; V322-Y335 CarbonylContact O-C 3.42Å; V322-Y335 WeakPolarHBondContact O-CA 3.47Å; V322-Y335 WeakPolarHBondContact O-CB 3.34Å; V322-Y335 WeakPolarHBondContact O-CD1 3.4Å; V322-F336 HydrophobicContact CB-CD1 3.91Å; V322-F336 HydrophobicContact CB-CD2 4.25Å; V322-F336 HydrophobicContact CB-CE1 3.52Å; V322-F336 HydrophobicContact CB-CE2 3.89Å; V322-F336 HydrophobicContact CB-CG 4.28Å; V322-F336 HydrophobicContact CB-CZ 3.53Å; V322-F336 HydrophobicContact CG1-CD1 4.19Å; V322-F336 HydrophobicContact CG1-CE1 3.35Å; V322-F336 HydrophobicContact CG1-CE2 4.18Å; V322-F336 HydrophobicContact CG1-CZ 3.35Å; V322-F336 HydrophobicContact CG2-CE2 4.03Å; V322-F336 HydrophobicContact CG2-CZ 4.05Å; V322-F336 PolarHBondContact N-O 3.05Å; V322-F336 PolarHBondContact O-N 3.43Å; V322-I338 HydrophobicContact CG2-CG2 3.82Å
323	K	98.9	Very high	98.5	Very high	17 Å²	17	49.7 Å²	49.7	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.4	172.7	-172.8	-178.4	173.2	-178.8	0	109.2	V129 S130 P131 V132 L307 V309 Y335	V129-K323 HydrophobicContact CG1-CD 3.96Å; S130-K323 WeakPolarHBondContact O-CE 3.42Å; S130-K323 PolarHBondContact O-NZ 2.85Å; S130-K323 PolarHBondContact OG-NZ 2.96Å; P131-K323 VanDerWaalsContact O-CE 3.31Å; P131-K323 WeakPolarHBondContact O-CE 3.44Å; P131-K323 PolarHBondContact O-NZ 3.33Å; V132-K323 HydrophobicContact CG2-CG 4.27Å; L307-K323 HydrophobicContact CB-CB 4.25Å; L307-K323 HydrophobicContact CD2-CD 4.42Å; L307-K323 PolarHBondContact N-O 3.37Å; L307-K323 PolarHBondContact O-N 2.86Å; V309-K323 HydrophobicContact CG1-CB 4.12Å; K323-Y335 HydrophobicContact CB-CD1 3.91Å; K323-Y335 HydrophobicContact CB-CE1 3.47Å; K323-Y335 VanDerWaalsContact CB-CE1 3.47Å; K323-Y335 HydrophobicContact CD-CE1 4.44Å; K323-Y335 HydrophobicContact CG-CD1 4.45Å; K323-Y335 HydrophobicContact CG-CE1 3.8Å
324	N	98.9	Very high	98.5	Very high	5 Å²	5	44 Å²	44	3%	0.027	24%	0.241	C	C	.	.			trans	-104.8	174.1	175.2	-159	4.1	0	0	0	111.2	H304 W326 W330 G334 F336	H304-N324 PolarHBondContact NE2-OD1 3.06Å; N324-W326 WeakPolarHBondContact ND2-CZ3 3.07Å; N324-W330 HydrophobicContact CB-CE3 4.03Å; N324-W330 HydrophobicContact CB-CZ3 3.76Å; N324-W330 WeakPolarHBondContact ND2-CH2 3.44Å; N324-W330 WeakPolarHBondContact ND2-CZ3 3.42Å; N324-G334 WeakPolarHBondContact CB-O 3.39Å; N324-G334 PolarHBondContact N-O 2.86Å; N324-F336 HydrophobicContact CB-CD1 4.21Å; N324-F336 HydrophobicContact CB-CE1 4.22Å
325	S	98.8	Very high	98.6	Very high	5 Å²	5	39 Å²	39	4%	0.035	22%	0.218	C	C	.	.	S	Bend	trans	-120.4	26.7	-175.8	50.8	0	0	0	0	113.2	K133 N134 Q135	K133-S325 CarbonylContact O-C 3.51Å; N134-S325 CarbonylContact C-O 3.13Å; N134-S325 VanDerWaalsContact CA-O 3.29Å; N134-S325 WeakPolarHBondContact CA-O 3.38Å; Q135-S325 PolarHBondContact N-O 3.38Å; Q135-S325 PolarHBondContact OE1-OG 2.99Å
326	W	98.8	Very high	98.7	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.011	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-106.7	27.4	178.4	-59.4	-23.6	0	0	0	113	Q81 F82 L95 V278 F282 M283 H304 N324 W330	Q81-W326 PolarHBondContact NE2-O 3.14Å; F82-W326 HydrophobicContact CE2-CB 4.23Å; F82-W326 AromaticContact CE2-CD2 3.95Å; F82-W326 HydrophobicContact CE2-CD2 3.95Å; F82-W326 AromaticContact CE2-CE3 3.73Å; F82-W326 HydrophobicContact CE2-CE3 3.73Å; F82-W326 HydrophobicContact CE2-CG 4.18Å; F82-W326 HydrophobicContact CE2-CZ3 4.44Å; F82-W326 HydrophobicContact CZ-CB 4.09Å; F82-W326 AromaticContact CZ-CD2 3.9Å; F82-W326 HydrophobicContact CZ-CD2 3.9Å; F82-W326 HydrophobicContact CZ-CE3 4.16Å; F82-W326 AromaticContact CZ-CG 3.86Å; F82-W326 HydrophobicContact CZ-CG 3.86Å; L95-W326 HydrophobicContact CD2-CZ2 4.15Å; V278-W326 HydrophobicContact CG1-CH2 4.18Å; V278-W326 HydrophobicContact CG2-CH2 4.21Å; F282-W326 AromaticContact CD1-CH2 3.89Å; F282-W326 HydrophobicContact CD1-CH2 3.89Å; F282-W326 AromaticContact CD1-CZ3 3.95Å; F282-W326 HydrophobicContact CD1-CZ3 3.95Å; F282-W326 AromaticContact CE1-CH2 3.75Å; F282-W326 HydrophobicContact CE1-CH2 3.75Å; F282-W326 AromaticContact CE1-CZ3 3.71Å; F282-W326 HydrophobicContact CE1-CZ3 3.71Å; M283-W326 HydrophobicContact CE-CE3 4.18Å; M283-W326 HydrophobicContact CE-CH2 3.69Å; M283-W326 HydrophobicContact CE-CZ2 4.12Å; M283-W326 HydrophobicContact CE-CZ3 3.71Å; M283-W326 HydrophobicContact SD-CH2 3.47Å; M283-W326 WeakPolarHBondContact SD-CH2 3.5Å; M283-W326 HydrophobicContact SD-CZ2 4.19Å; M283-W326 HydrophobicContact SD-CZ3 3.86Å; H304-W326 AromaticContact CE1-CE2 3.67Å; H304-W326 AromaticContact CE1-CZ2 3.55Å; H304-W326 AromaticContact CE1-NE1 3.53Å; H304-W326 AromaticContact ND1-CZ2 3.93Å; H304-W326 AromaticContact NE2-CE2 3.87Å; H304-W326 AromaticContact NE2-CZ2 3.59Å; N324-W326 WeakPolarHBondContact ND2-CZ3 3.07Å; W326-W330 HydrophobicContact CB-CB 4.21Å; W326-W330 HydrophobicContact CB-CG 4.24Å; W326-W330 AromaticContact CE3-CD1 3.92Å; W326-W330 AromaticContact CE3-CD2 3.81Å; W326-W330 HydrophobicContact CE3-CD2 3.81Å; W326-W330 AromaticContact CE3-CE2 3.46Å; W326-W330 VanDerWaalsContact CE3-CE2 3.46Å; W326-W330 HydrophobicContact CE3-CE3 4.47Å; W326-W330 HydrophobicContact CE3-CG 4.1Å; W326-W330 AromaticContact CE3-CZ2 3.83Å; W326-W330 HydrophobicContact CE3-CZ2 3.83Å; W326-W330 AromaticContact CE3-NE1 3.52Å; W326-W330 HydrophobicContact CZ3-CD2 4.45Å; W326-W330 AromaticContact CZ3-CE2 3.68Å; W326-W330 HydrophobicContact CZ3-CH2 4.37Å; W326-W330 AromaticContact CZ3-CZ2 3.62Å; W326-W330 HydrophobicContact CZ3-CZ2 3.62Å; W326-W330 AromaticContact CZ3-NE1 3.82Å
327	G	98.5	Very high	98.7	Very high	5 Å²	5	30.3 Å²	30.3	5%	0.052	16%	0.159	C	C	.	.			trans	80.5	161.9	179.9	0	0	0	0	0	114.3	K133 Q329 W330 G334	K133-G327 WeakPolarHBondContact O-CA 3.37Å; K133-G327 PolarHBondContact O-N 3.28Å; G327-Q329 PolarHBondContact O-N 3.12Å; G327-W330 PolarHBondContact O-N 3.36Å; G327-G334 WeakPolarHBondContact O-CA 3.39Å
328	P	98.3	Very high	98.8	Very high	78 Å²	78	28.2 Å²	28.2	51%	0.506	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.8	-171.9	29.5	-36.7	0	0	0	114	V132 N333 G334	V132-P328 HydrophobicContact CB-CB 4.37Å; P328-N333 CarbonylContact O-C 3.59Å; P328-N333 WeakPolarHBondContact O-CA 3.41Å; P328-G334 PolarHBondContact O-N 2.88Å
329	Q	97.9	Very high	98.8	Very high	149 Å²	149	27.8 Å²	27.8	70%	0.696	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-14.7	179.5	-67.7	-179.2	-3.1	0	0	113.2	G327	G327-Q329 PolarHBondContact O-N 3.12Å
330	W	98.8	Very high	98.7	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.142	C	C	.	.	S	Bend	trans	-80.3	144.4	176.2	-179.6	91.2	0	0	0	110.8	F82 F282 M283 Y285 N324 W326 G327 M332 G334 F336	F82-W330 AromaticContact CE2-CD1 3.8Å; F282-W330 HydrophobicContact CD1-CZ2 4.29Å; F282-W330 AromaticContact CE1-CH2 3.77Å; F282-W330 HydrophobicContact CE1-CH2 3.77Å; F282-W330 AromaticContact CE1-CZ2 3.76Å; F282-W330 HydrophobicContact CE1-CZ2 3.76Å; F282-W330 HydrophobicContact CE2-CH2 4.27Å; F282-W330 AromaticContact CZ-CH2 3.55Å; F282-W330 HydrophobicContact CZ-CH2 3.55Å; F282-W330 AromaticContact CZ-CZ2 3.96Å; F282-W330 HydrophobicContact CZ-CZ2 3.96Å; M283-W330 PolarHBondContact O-NE1 3.41Å; Y285-W330 AromaticContact CD1-CH2 3.83Å; Y285-W330 HydrophobicContact CD1-CH2 3.83Å; Y285-W330 HydrophobicContact CD1-CZ2 4.1Å; Y285-W330 HydrophobicContact CD1-CZ3 4.31Å; Y285-W330 HydrophobicContact CG-CH2 4.41Å; Y285-W330 HydrophobicContact CG-CZ2 4.43Å; N324-W330 HydrophobicContact CB-CE3 4.03Å; N324-W330 HydrophobicContact CB-CZ3 3.76Å; N324-W330 WeakPolarHBondContact ND2-CH2 3.44Å; N324-W330 WeakPolarHBondContact ND2-CZ3 3.42Å; W326-W330 HydrophobicContact CB-CB 4.21Å; W326-W330 HydrophobicContact CB-CG 4.24Å; W326-W330 AromaticContact CE3-CD1 3.92Å; W326-W330 AromaticContact CE3-CD2 3.81Å; W326-W330 HydrophobicContact CE3-CD2 3.81Å; W326-W330 AromaticContact CE3-CE2 3.46Å; W326-W330 VanDerWaalsContact CE3-CE2 3.46Å; W326-W330 HydrophobicContact CE3-CE3 4.47Å; W326-W330 HydrophobicContact CE3-CG 4.1Å; W326-W330 AromaticContact CE3-CZ2 3.83Å; W326-W330 HydrophobicContact CE3-CZ2 3.83Å; W326-W330 AromaticContact CE3-NE1 3.52Å; W326-W330 HydrophobicContact CZ3-CD2 4.45Å; W326-W330 AromaticContact CZ3-CE2 3.68Å; W326-W330 HydrophobicContact CZ3-CH2 4.37Å; W326-W330 AromaticContact CZ3-CZ2 3.62Å; W326-W330 HydrophobicContact CZ3-CZ2 3.62Å; W326-W330 AromaticContact CZ3-NE1 3.82Å; G327-W330 PolarHBondContact O-N 3.36Å; W330-M332 PolarHBondContact O-N 2.99Å; W330-G334 WeakPolarHBondContact O-CA 3.33Å; W330-G334 PolarHBondContact O-N 2.97Å; W330-F336 HydrophobicContact CH2-CB 3.91Å; W330-F336 AromaticContact CH2-CD1 3.85Å; W330-F336 HydrophobicContact CH2-CD1 3.85Å; W330-F336 HydrophobicContact CH2-CG 4.06Å; W330-F336 HydrophobicContact CZ3-CB 3.98Å; W330-F336 AromaticContact CZ3-CD1 3.78Å; W330-F336 HydrophobicContact CZ3-CD1 3.78Å; W330-F336 HydrophobicContact CZ3-CG 4.25Å
331	G	98.8	Very high	98.6	Very high	5 Å²	5	30.6 Å²	30.6	5%	0.052	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-132.8	177.1	0	0	0	0	0	113.8	R286	R286-G331 PolarHBondContact NH1-O 3.19Å; R286-G331 CarbonylContact O-C 3.52Å; R286-G331 VanDerWaalsContact O-O 3.13Å
332	M	98.8	Very high	98.5	Very high	63 Å²	63	35.6 Å²	35.6	31%	0.31	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-98.9	80.3	179.1	-60	178.7	66.4	0	0	110	Y285 R286 W330 G334 Y335 L337	Y285-M332 HydrophobicContact CE1-CG 4.23Å; Y285-M332 PolarHBondContact OH-SD 3.42Å; R286-M332 WeakPolarHBondContact O-CG 3.39Å; W330-M332 PolarHBondContact O-N 2.99Å; M332-G334 VanDerWaalsContact C-N 3.26Å; M332-G334 PolarHBondContact O-N 3.3Å; M332-Y335 WeakPolarHBondContact CB-O 3.48Å; M332-Y335 PolarHBondContact N-O 3.17Å; M332-Y335 WeakPolarHBondContact O-CB 3.43Å; M332-Y335 PolarHBondContact O-N 3.39Å; M332-L337 HydrophobicContact SD-CG 4.17Å
333	N	98.7	Very high	98.4	Very high	132 Å²	132	36.4 Å²	36.4	71%	0.706	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	37.9	-175.9	-56.5	-32.2	0	0	0	112.9	P328 Y335	P328-N333 CarbonylContact O-C 3.59Å; P328-N333 WeakPolarHBondContact O-CA 3.41Å; N333-Y335 WeakPolarHBondContact O-CD2 3.29Å
334	G	98.8	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-0.3	-175.4	0	0	0	0	0	115.5	N324 G327 P328 W330 M332	N324-G334 WeakPolarHBondContact CB-O 3.39Å; N324-G334 PolarHBondContact N-O 2.86Å; G327-G334 WeakPolarHBondContact O-CA 3.39Å; P328-G334 PolarHBondContact O-N 2.88Å; W330-G334 WeakPolarHBondContact O-CA 3.33Å; W330-G334 PolarHBondContact O-N 2.97Å; M332-G334 VanDerWaalsContact C-N 3.26Å; M332-G334 PolarHBondContact O-N 3.3Å
335	Y	98.9	Very high	98.3	Very high	24 Å²	24	35.8 Å²	35.8	9%	0.094	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	165.4	176.9	-64.9	-101.2	0	0	0	111.6	V129 V132 V309 I321 V322 K323 M332 N333	V129-Y335 WeakPolarHBondContact CG1-OH 3.46Å; V132-Y335 HydrophobicContact CG2-CD2 4.09Å; V132-Y335 HydrophobicContact CG2-CE2 3.5Å; V132-Y335 VanDerWaalsContact CG2-CE2 3.5Å; V309-Y335 HydrophobicContact CG2-CD1 4.15Å; V309-Y335 HydrophobicContact CG2-CE1 3.81Å; I321-Y335 HydrophobicContact CG2-CD1 4.38Å; V322-Y335 CarbonylContact O-C 3.42Å; V322-Y335 WeakPolarHBondContact O-CA 3.47Å; V322-Y335 WeakPolarHBondContact O-CB 3.34Å; V322-Y335 WeakPolarHBondContact O-CD1 3.4Å; K323-Y335 HydrophobicContact CB-CD1 3.91Å; K323-Y335 HydrophobicContact CB-CE1 3.47Å; K323-Y335 VanDerWaalsContact CB-CE1 3.47Å; K323-Y335 HydrophobicContact CD-CE1 4.44Å; K323-Y335 HydrophobicContact CG-CD1 4.45Å; K323-Y335 HydrophobicContact CG-CE1 3.8Å; M332-Y335 WeakPolarHBondContact CB-O 3.48Å; M332-Y335 PolarHBondContact N-O 3.17Å; M332-Y335 WeakPolarHBondContact O-CB 3.43Å; M332-Y335 PolarHBondContact O-N 3.39Å; N333-Y335 WeakPolarHBondContact O-CD2 3.29Å
336	F	98.9	Very high	98.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162	167.1	65.3	-80	0	0	0	110.8	F276 F282 Y285 V306 V322 N324 W330 I338	F276-F336 AromaticContact CE1-CZ 3.93Å; F276-F336 HydrophobicContact CE1-CZ 3.93Å; F276-F336 HydrophobicContact CZ-CE2 4.37Å; F276-F336 AromaticContact CZ-CZ 3.87Å; F276-F336 HydrophobicContact CZ-CZ 3.87Å; F282-F336 AromaticContact CE2-CD2 3.63Å; F282-F336 HydrophobicContact CE2-CD2 3.63Å; F282-F336 AromaticContact CE2-CE2 3.68Å; F282-F336 HydrophobicContact CE2-CE2 3.68Å; F282-F336 HydrophobicContact CE2-CG 4.07Å; F282-F336 HydrophobicContact CE2-CZ 4.15Å; F282-F336 AromaticContact CZ-CD1 3.95Å; F282-F336 HydrophobicContact CZ-CD1 3.95Å; F282-F336 AromaticContact CZ-CD2 3.84Å; F282-F336 HydrophobicContact CZ-CD2 3.84Å; F282-F336 AromaticContact CZ-CE1 3.82Å; F282-F336 HydrophobicContact CZ-CE1 3.82Å; F282-F336 AromaticContact CZ-CE2 3.71Å; F282-F336 HydrophobicContact CZ-CE2 3.71Å; F282-F336 AromaticContact CZ-CG 3.94Å; F282-F336 HydrophobicContact CZ-CG 3.94Å; F282-F336 AromaticContact CZ-CZ 3.69Å; F282-F336 HydrophobicContact CZ-CZ 3.69Å; Y285-F336 HydrophobicContact CD1-CB 3.69Å; Y285-F336 HydrophobicContact CE1-CB 3.26Å; Y285-F336 HydrophobicContact CE2-CB 4.36Å; Y285-F336 HydrophobicContact CG-CB 4.42Å; V306-F336 HydrophobicContact CG1-CE1 4.22Å; V306-F336 HydrophobicContact CG1-CZ 4.49Å; V306-F336 HydrophobicContact CG2-CZ 4.28Å; V322-F336 HydrophobicContact CB-CD1 3.91Å; V322-F336 HydrophobicContact CB-CD2 4.25Å; V322-F336 HydrophobicContact CB-CE1 3.52Å; V322-F336 HydrophobicContact CB-CE2 3.89Å; V322-F336 HydrophobicContact CB-CG 4.28Å; V322-F336 HydrophobicContact CB-CZ 3.53Å; V322-F336 HydrophobicContact CG1-CD1 4.19Å; V322-F336 HydrophobicContact CG1-CE1 3.35Å; V322-F336 HydrophobicContact CG1-CE2 4.18Å; V322-F336 HydrophobicContact CG1-CZ 3.35Å; V322-F336 HydrophobicContact CG2-CE2 4.03Å; V322-F336 HydrophobicContact CG2-CZ 4.05Å; V322-F336 PolarHBondContact N-O 3.05Å; V322-F336 PolarHBondContact O-N 3.43Å; N324-F336 HydrophobicContact CB-CD1 4.21Å; N324-F336 HydrophobicContact CB-CE1 4.22Å; W330-F336 HydrophobicContact CH2-CB 3.91Å; W330-F336 AromaticContact CH2-CD1 3.85Å; W330-F336 HydrophobicContact CH2-CD1 3.85Å; W330-F336 HydrophobicContact CH2-CG 4.06Å; W330-F336 HydrophobicContact CZ3-CB 3.98Å; W330-F336 AromaticContact CZ3-CD1 3.78Å; W330-F336 HydrophobicContact CZ3-CD1 3.78Å; W330-F336 HydrophobicContact CZ3-CG 4.25Å; F336-I338 HydrophobicContact CD2-CB 4.06Å; F336-I338 HydrophobicContact CD2-CG2 4.34Å; F336-I338 HydrophobicContact CE2-CB 3.84Å; F336-I338 HydrophobicContact CE2-CD1 4.4Å; F336-I338 HydrophobicContact CE2-CG2 3.83Å
337	L	98.9	Very high	98.1	Very high	23 Å²	23	35.4 Å²	35.4	12%	0.12	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	137.4	166.5	-46.7	-179.6	0	0	0	109	Y285 G288 I289 Y290 Y319 W320 I321 M332	Y285-L337 PolarHBondContact OH-N 3.38Å; Y285-L337 VanDerWaalsContact OH-N 3.12Å; G288-L337 WeakPolarHBondContact O-CB 3.28Å; I289-L337 HydrophobicContact CG1-CB 4.4Å; I289-L337 HydrophobicContact CG1-CD1 4.39Å; Y290-L337 VanDerWaalsContact CB-O 3.27Å; Y290-L337 WeakPolarHBondContact CB-O 3.27Å; Y290-L337 PolarHBondContact N-O 3.06Å; Y319-L337 HydrophobicContact CD1-CD1 4.48Å; Y319-L337 HydrophobicContact CD2-CB 4.15Å; Y319-L337 HydrophobicContact CD2-CD1 4.01Å; Y319-L337 HydrophobicContact CD2-CD2 3.75Å; Y319-L337 HydrophobicContact CD2-CG 4.19Å; Y319-L337 HydrophobicContact CE1-CD1 4.48Å; Y319-L337 HydrophobicContact CE2-CD1 4.04Å; Y319-L337 HydrophobicContact CE2-CD2 3.85Å; Y319-L337 HydrophobicContact CE2-CG 4.47Å; Y319-L337 HydrophobicContact CG-CB 4.3Å; Y319-L337 HydrophobicContact CG-CD1 4.25Å; W320-L337 VanDerWaalsContact O-CA 3.22Å; W320-L337 WeakPolarHBondContact O-CA 3.41Å; I321-L337 HydrophobicContact CB-CD2 4.25Å; I321-L337 HydrophobicContact CG1-CD2 3.88Å; I321-L337 HydrophobicContact CG2-CD2 4.34Å; M332-L337 HydrophobicContact SD-CG 4.17Å
338	I	98.9	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.8	176	-176.4	167.1	0	0	0	109.5	F276 Y290 Y319 W320 V322 F336 R340 M344 L347	F276-I338 HydrophobicContact CD2-CD1 4.47Å; Y290-I338 HydrophobicContact CD1-CD1 3.95Å; Y290-I338 HydrophobicContact CD1-CG1 4.01Å; Y290-I338 HydrophobicContact CE1-CD1 4.42Å; Y290-I338 WeakPolarHBondContact O-CA 3.48Å; Y319-I338 CarbonylContact C-O 3.49Å; Y319-I338 VanDerWaalsContact CA-O 3.22Å; Y319-I338 WeakPolarHBondContact CA-O 3.33Å; Y319-I338 WeakPolarHBondContact CB-O 3.23Å; W320-I338 HydrophobicContact CB-CG2 3.79Å; W320-I338 HydrophobicContact CG-CG2 4.42Å; W320-I338 PolarHBondContact N-O 2.98Å; W320-I338 PolarHBondContact O-N 3.48Å; V322-I338 HydrophobicContact CG2-CG2 3.82Å; F336-I338 HydrophobicContact CD2-CB 4.06Å; F336-I338 HydrophobicContact CD2-CG2 4.34Å; F336-I338 HydrophobicContact CE2-CB 3.84Å; F336-I338 HydrophobicContact CE2-CD1 4.4Å; F336-I338 HydrophobicContact CE2-CG2 3.83Å; I338-R340 PolarHBondContact O-N 3.45Å; I338-M344 HydrophobicContact CD1-CB 4.15Å; I338-M344 HydrophobicContact CD1-CG 3.82Å; I338-M344 HydrophobicContact CG1-CB 4Å; I338-M344 HydrophobicContact CG1-CG 3.7Å; I338-L347 HydrophobicContact CD1-CD2 4.1Å; I338-L347 HydrophobicContact CG1-CD2 4.27Å; I338-L347 HydrophobicContact CG2-CD2 4.25Å
339	E	98.8	Very high	97.6	Very high	24 Å²	24	31.6 Å²	31.6	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	129.5	-177.2	-168.3	174.9	-158.7	0	0	111.5	I289 Y290 I317 K342 M344	I289-E339 HydrophobicContact CG2-CB 3.98Å; Y290-E339 PolarHBondContact O-N 2.85Å; I317-E339 HydrophobicContact CG2-CG 4.15Å; E339-K342 VanDerWaalsContact CD-NZ 3.3Å; E339-K342 HydrophobicContact CG-CD 4.27Å; E339-K342 WeakPolarHBondContact OE1-CE 3.42Å; E339-K342 IonicContact OE1-NZ 3.65Å; E339-K342 PolarHBondContact OE1-NZ 3.16Å; E339-K342 WeakPolarHBondContact OE2-CD 3.45Å; E339-K342 IonicContact OE2-NZ 2.84Å; E339-K342 PolarHBondContact OE2-NZ 3.41Å; E339-M344 HydrophobicContact CB-CE 4.24Å; E339-M344 WeakPolarHBondContact O-CB 3.39Å; E339-M344 VanDerWaalsContact OE2-CE 3.31Å; E339-M344 WeakPolarHBondContact OE2-CE 3.08Å
340	R	98.5	Very high	97.3	Very high	38 Å²	38	24.7 Å²	24.7	14%	0.143	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	153.3	-177	174.5	171.2	64.7	78.4	1.8	111.1	E259 G312 P318 Y319 W320 I338	E259-R340 WeakPolarHBondContact OE1-CA 3.18Å; G312-R340 PolarHBondContact O-NH2 3.23Å; P318-R340 HydrophobicContact CB-CB 4.24Å; P318-R340 VanDerWaalsContact CB-NH2 3.31Å; P318-R340 WeakPolarHBondContact CG-O 3.45Å; P318-R340 PolarHBondContact O-N 3.17Å; Y319-R340 PolarHBondContact O-NE 3.31Å; W320-R340 HydrophobicContact CD2-CG 4.27Å; W320-R340 VanDerWaalsContact CE2-CD 3.41Å; W320-R340 HydrophobicContact CG-CB 4.19Å; W320-R340 HydrophobicContact CG-CG 4.44Å; W320-R340 HydrophobicContact CZ2-CG 3.93Å; W320-R340 VanDerWaalsContact NE1-CG 3.35Å; I338-R340 PolarHBondContact O-N 3.45Å
341	G	96.4	Very high	97.1	Very high	61 Å²	61	24.7 Å²	24.7	63%	0.629	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	12.1	176.5	0	0	0	0	0	113.9	E259	E259-G341 PolarHBondContact OE1-N 3.45Å; E259-G341 WeakPolarHBondContact OE2-CA 3.48Å; E259-G341 PolarHBondContact OE2-N 3.34Å
342	K	96.4	Very high	97	Very high	115 Å²	115	24.5 Å²	24.5	50%	0.5	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	3.5	-178.4	-67	-166.5	-177.8	169.5	0	113.4	E259 K297 E339 M344	E259-K342 PolarHBondContact OE2-N 2.81Å; E259-K342 VanDerWaalsContact OE2-N 3.12Å; K297-K342 PolarHBondContact NZ-O 3.18Å; E339-K342 VanDerWaalsContact CD-NZ 3.3Å; E339-K342 HydrophobicContact CG-CD 4.27Å; E339-K342 WeakPolarHBondContact OE1-CE 3.42Å; E339-K342 IonicContact OE1-NZ 3.65Å; E339-K342 PolarHBondContact OE1-NZ 3.16Å; E339-K342 WeakPolarHBondContact OE2-CD 3.45Å; E339-K342 IonicContact OE2-NZ 2.84Å; E339-K342 PolarHBondContact OE2-NZ 3.41Å; K342-M344 PolarHBondContact O-N 2.97Å
343	N	96.4	Very high	97	Very high	17 Å²	17	22.1 Å²	22.1	9%	0.091	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	50.7	-164.9	-173.8	22.8	0	0	0	110.2	Y257 E259 K297 C345 G346 L347 A348	Y257-N343 VanDerWaalsContact CD2-ND2 3.26Å; Y257-N343 WeakPolarHBondContact CD2-ND2 3.38Å; E259-N343 WeakPolarHBondContact OE2-CA 3.34Å; E259-N343 PolarHBondContact OE2-N 2.97Å; K297-N343 WeakPolarHBondContact CD-O 3.49Å; K297-N343 WeakPolarHBondContact CG-O 3.38Å; K297-N343 PolarHBondContact NZ-O 2.9Å; K297-N343 PolarHBondContact O-ND2 2.68Å; N343-C345 PolarHBondContact O-N 3.23Å; N343-G346 PolarHBondContact O-N 3.41Å; N343-G346 VanDerWaalsContact OD1-CA 3.23Å; N343-G346 WeakPolarHBondContact OD1-CA 3.45Å; N343-L347 PolarHBondContact OD1-N 3.48Å; N343-A348 PolarHBondContact OD1-N 3.42Å
344	M	98.4	Very high	97	Very high	9 Å²	9	15.9 Å²	15.9	4%	0.044	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-60.9	126.1	-174.3	-176.9	56.2	68.3	0	0	109.4	S292 I338 E339 K342 G346 L347	S292-M344 PolarHBondContact N-SD 3.28Å; S292-M344 VanDerWaalsContact N-SD 3.36Å; S292-M344 VanDerWaalsContact O-SD 3.38Å; I338-M344 HydrophobicContact CD1-CB 4.15Å; I338-M344 HydrophobicContact CD1-CG 3.82Å; I338-M344 HydrophobicContact CG1-CB 4Å; I338-M344 HydrophobicContact CG1-CG 3.7Å; E339-M344 HydrophobicContact CB-CE 4.24Å; E339-M344 WeakPolarHBondContact O-CB 3.39Å; E339-M344 VanDerWaalsContact OE2-CE 3.31Å; E339-M344 WeakPolarHBondContact OE2-CE 3.08Å; K342-M344 PolarHBondContact O-N 2.97Å; M344-G346 PolarHBondContact O-N 3.18Å; M344-L347 HydrophobicContact CB-CD2 3.93Å; M344-L347 WeakPolarHBondContact O-CB 3.41Å; M344-L347 WeakPolarHBondContact O-CD2 3.35Å; M344-L347 WeakPolarHBondContact O-CG 3.23Å; M344-L347 PolarHBondContact O-N 2.84Å; M344-L347 VanDerWaalsContact O-N 3.08Å
345	C	98.2	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	52	26.8	-177	-51	0	0	0	0	115.4	F276 E277 C295 H296 N343	F276-C345 CarbonylContact C-O 3.53Å; F276-C345 WeakPolarHBondContact CA-O 3.18Å; F276-C345 HydrophobicContact CB-CB 4.23Å; F276-C345 WeakPolarHBondContact CB-O 3.05Å; F276-C345 HydrophobicContact CD2-CB 3.95Å; E277-C345 PolarHBondContact N-O 3.09Å; E277-C345 WeakPolarHBondContact O-CB 3.25Å; C295-C345 HydrophobicContact CB-CB 3.63Å; C295-C345 WeakPolarHBondContact CB-SG 3.49Å; C295-C345 WeakPolarHBondContact SG-CA 3.46Å; C295-C345 WeakPolarHBondContact SG-CB 3.34Å; C295-C345 PolarHBondContact SG-N 3.39Å; C295-C345 VanDerWaalsContact SG-N 3.39Å; C295-C345 CovalentContact SG-SG 2.05Å; C295-C345 PolarHBondContact SG-SG 3.42Å; H296-C345 CarbonylContact O-C 3.55Å; H296-C345 WeakPolarHBondContact O-CA 3.43Å; N343-C345 PolarHBondContact O-N 3.23Å
346	G	95.9	Very high	96.9	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	78	17.1	178.9	0	0	0	0	0	114.5	H296 N343 M344 A348 A349	H296-G346 PolarHBondContact O-N 2.97Å; N343-G346 PolarHBondContact O-N 3.41Å; N343-G346 VanDerWaalsContact OD1-CA 3.23Å; N343-G346 WeakPolarHBondContact OD1-CA 3.45Å; M344-G346 PolarHBondContact O-N 3.18Å; G346-A348 PolarHBondContact O-N 2.92Å; G346-A349 WeakPolarHBondContact O-CB 3.43Å; G346-A349 PolarHBondContact O-N 2.87Å
347	L	97.3	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.8	-175.8	67.4	81.9	0	0	0	115.3	E259 M262 F274 A275 F276 I338 N343 M344	E259-L347 HydrophobicContact CG-CD1 3.96Å; M262-L347 HydrophobicContact CE-CD1 3.98Å; M262-L347 HydrophobicContact SD-CD1 4.13Å; F274-L347 WeakPolarHBondContact CB-O 3.47Å; F274-L347 HydrophobicContact CD2-CB 3.62Å; F274-L347 HydrophobicContact CE2-CB 3.56Å; F274-L347 HydrophobicContact CZ-CB 4.49Å; A275-L347 WeakPolarHBondContact O-CA 3.33Å; F276-L347 HydrophobicContact CB-CB 4.2Å; I338-L347 HydrophobicContact CD1-CD2 4.1Å; I338-L347 HydrophobicContact CG1-CD2 4.27Å; I338-L347 HydrophobicContact CG2-CD2 4.25Å; N343-L347 PolarHBondContact OD1-N 3.48Å; M344-L347 HydrophobicContact CB-CD2 3.93Å; M344-L347 WeakPolarHBondContact O-CB 3.41Å; M344-L347 WeakPolarHBondContact O-CD2 3.35Å; M344-L347 WeakPolarHBondContact O-CG 3.23Å; M344-L347 PolarHBondContact O-N 2.84Å; M344-L347 VanDerWaalsContact O-N 3.08Å
348	A	94.8	Very high	96.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	13.7	178.2	0	0	0	0	0	113	E259 M262 N343 G346	E259-A348 HydrophobicContact CB-CB 3.79Å; E259-A348 HydrophobicContact CG-CB 4.3Å; M262-A348 HydrophobicContact SD-CB 3.84Å; N343-A348 PolarHBondContact OD1-N 3.42Å; G346-A348 PolarHBondContact O-N 2.92Å
349	A	91.7	Very high	96.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	17%	0.171	C	C	.	.	S	Bend	trans	-68	-48.7	-179.2	0	0	0	0	0	112.6	C102 Y257 P299 V302 G346	C102-A349 VanDerWaalsContact SG-C 3.57Å; Y257-A349 HydrophobicContact CD1-CB 4.49Å; Y257-A349 HydrophobicContact CE1-CB 4.31Å; P299-A349 HydrophobicContact CB-CB 4.34Å; P299-A349 HydrophobicContact CG-CB 4.05Å; V302-A349 HydrophobicContact CG1-CB 4.26Å; G346-A349 WeakPolarHBondContact O-CB 3.43Å; G346-A349 PolarHBondContact O-N 2.87Å
350	C	90.9	Very high	96.3	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.034	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	84.2	177.3	38.7	0	0	0	0	110.5	C102 T232	C102-C350 HydrophobicContact CB-CB 3.94Å; C102-C350 WeakPolarHBondContact CB-SG 3.34Å; C102-C350 WeakPolarHBondContact SG-CB 3.45Å; C102-C350 PolarHBondContact SG-N 2.96Å; C102-C350 CovalentContact SG-SG 2.02Å; C102-C350 PolarHBondContact SG-SG 2.92Å; T232-C350 HydrophobicContact CG2-CB 3.95Å
351	A	95.6	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	148.9	170.2	0	0	0	0	0	109.9	I231 M262 V272 S273 F274	I231-A351 CarbonylContact C-O 3.51Å; I231-A351 WeakPolarHBondContact CA-O 3.27Å; I231-A351 HydrophobicContact CB-CB 4.17Å; I231-A351 PolarHBondContact N-O 2.86Å; I231-A351 PolarHBondContact O-N 2.92Å; I231-A351 VanDerWaalsContact O-O 3.12Å; M262-A351 HydrophobicContact CE-CB 3.88Å; M262-A351 HydrophobicContact CG-CB 3.77Å; M262-A351 HydrophobicContact SD-CB 3.77Å; V272-A351 HydrophobicContact CG1-CB 3.75Å; S273-A351 CarbonylContact O-C 3.54Å; S273-A351 WeakPolarHBondContact O-CA 3.2Å; F274-A351 HydrophobicContact CB-CB 3.94Å
352	S	96.4	Very high	96.2	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	160.7	177.5	55.4	0	0	0	0	111.4	S187 A229 S273	S187-S352 PolarHBondContact N-OG 3.11Å; A229-S352 CarbonylContact O-C 3.53Å; A229-S352 WeakPolarHBondContact O-CA 3.42Å; A229-S352 WeakPolarHBondContact O-CB 3.4Å; S273-S352 WeakPolarHBondContact CA-O 3.18Å; S273-S352 WeakPolarHBondContact CB-O 3.49Å; S273-S352 PolarHBondContact N-O 3.28Å; S273-S352 PolarHBondContact O-N 3.18Å
353	Y	98.1	Very high	96.2	Very high	14 Å²	14	22.8 Å²	22.8	6%	0.055	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154	171.4	68.6	-94.4	0	0	0	111.4	Y109 A229 I231 A265 Y269 N270 V272 I355	Y109-Y353 AromaticContact CD2-CE1 3.93Å; Y109-Y353 HydrophobicContact CD2-CE1 3.93Å; Y109-Y353 AromaticContact CE2-CE1 3.77Å; Y109-Y353 HydrophobicContact CE2-CE1 3.77Å; Y109-Y353 WeakPolarHBondContact CE2-OH 3.36Å; A229-Y353 HydrophobicContact CB-CD1 3.79Å; A229-Y353 HydrophobicContact CB-CD2 4.02Å; A229-Y353 HydrophobicContact CB-CE1 3.36Å; A229-Y353 HydrophobicContact CB-CE2 3.63Å; A229-Y353 HydrophobicContact CB-CG 4.1Å; A229-Y353 PolarHBondContact N-O 3.35Å; A229-Y353 PolarHBondContact O-N 3.35Å; I231-Y353 HydrophobicContact CD1-CD1 4.22Å; I231-Y353 HydrophobicContact CD1-CE1 4.16Å; A265-Y353 HydrophobicContact CB-CD1 4.18Å; A265-Y353 HydrophobicContact CB-CE1 3.74Å; Y269-Y353 WeakPolarHBondContact CD2-OH 3.47Å; N270-Y353 WeakPolarHBondContact ND2-CD2 3.27Å; N270-Y353 VanDerWaalsContact ND2-CE2 3.32Å; N270-Y353 WeakPolarHBondContact ND2-CE2 3.37Å; N270-Y353 WeakPolarHBondContact OD1-CB 3.31Å; N270-Y353 WeakPolarHBondContact OD1-CD2 3.35Å; V272-Y353 HydrophobicContact CG2-CD1 4.09Å; Y353-I355 HydrophobicContact CE2-CG1 4.35Å
354	P	98.3	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	147.7	178.8	34.5	-30.7	0	0	0	111.5	A149 L150 A153 F190 V225	A149-P354 HydrophobicContact CB-CG 4.32Å; L150-P354 HydrophobicContact CB-CG 3.99Å; L150-P354 HydrophobicContact CD1-CB 4.12Å; L150-P354 HydrophobicContact CD1-CG 3.96Å; A153-P354 HydrophobicContact CB-CG 4.45Å; F190-P354 HydrophobicContact CD1-CB 3.73Å; F190-P354 HydrophobicContact CD1-CG 3.91Å; F190-P354 HydrophobicContact CE1-CB 3.95Å; F190-P354 HydrophobicContact CE1-CG 3.59Å; F190-P354 HydrophobicContact CG-CB 4.1Å; F190-P354 HydrophobicContact CZ-CG 4.03Å; V225-P354 HydrophobicContact CG1-CB 4.2Å; V225-P354 HydrophobicContact CG2-CB 4Å
355	I	98.2	Very high	96	Very high	68 Å²	68	24.1 Å²	24.1	35%	0.349	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117.9	159.4	-58.2	178.9	0	0	0	106.3	K226 D227 Y353	K226-I355 HydrophobicContact CB-CG2 4.48Å; K226-I355 WeakPolarHBondContact CB-O 3.33Å; K226-I355 PolarHBondContact N-O 2.94Å; D227-I355 HydrophobicContact CB-CB 4.23Å; D227-I355 HydrophobicContact CB-CD1 4.2Å; D227-I355 PolarHBondContact N-O 3.44Å; D227-I355 PolarHBondContact O-N 3.14Å; Y353-I355 HydrophobicContact CE2-CG1 4.35Å
356	P	98.3	Very high	95.9	Very high	22 Å²	22	26 Å²	26	14%	0.143	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	149.9	-173.2	34.5	-36.5	0	0	0	110.6	L150 A153 I154 A157 F224 V358	L150-P356 HydrophobicContact CD1-CB 4.17Å; A153-P356 HydrophobicContact CB-CB 4.35Å; A153-P356 HydrophobicContact CB-CG 3.96Å; I154-P356 HydrophobicContact CG1-CB 3.85Å; A157-P356 HydrophobicContact CB-CG 4.3Å; F224-P356 WeakPolarHBondContact O-CA 3.46Å; P356-V358 HydrophobicContact CB-CG1 3.98Å; P356-V358 HydrophobicContact CG-CG1 4.36Å
357	L	98	Very high	95.9	Very high	95 Å²	95	28.2 Å²	28.2	50%	0.497	16%	0.158	S	C	.	.			trans	-96.6	108.2	165.9	178.9	68.9	0	0	0	107.1	F224 K226	F224-L357 HydrophobicContact CB-CB 3.78Å; F224-L357 HydrophobicContact CB-CD2 4.24Å; F224-L357 HydrophobicContact CB-CG 4.39Å; F224-L357 PolarHBondContact O-N 2.97Å; K226-L357 HydrophobicContact CB-CB 3.97Å; K226-L357 HydrophobicContact CB-CD1 4.49Å
358	V	92.9	Very high	95.7	Very high	131 Å²	131	30.7 Å²	30.7	79%	0.794	17%	0.172	S	C	*	.			trans	-131.5	0	-172.5	-69.8	0	0	0	0	112.7	I154 A157 T158 P356	I154-V358 HydrophobicContact CG1-CG1 4.15Å; I154-V358 HydrophobicContact CG2-CG1 4.33Å; A157-V358 HydrophobicContact CB-CG2 3.93Å; T158-V358 HydrophobicContact CG2-CB 3.52Å; T158-V358 HydrophobicContact CG2-CG1 3.6Å; T158-V358 HydrophobicContact CG2-CG2 3.94Å; P356-V358 HydrophobicContact CB-CG1 3.98Å; P356-V358 HydrophobicContact CG-CG1 4.36Å

Retrieved 358 of 358 residues in 708.9 ms (Link to these results)

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