A0A087XVE3_POEFO Loading...

Small ribosomal subunit protein uS5

AlphaFold DB , UniProt , Accession A0A087XVE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 279 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	36.8	Very low	37.2	Very low	233 Å²	233	137.3 Å²	137.3	100%	1.148	86%	0.857	S	S	*	*				0	95.7	0	-86.9	73.9	169.7	0	0	106.7
2	A	38.4	Very low	37.3	Very low	86 Å²	86	146.9 Å²	146.9	71%	0.711	87%	0.865	S	S	*	*				87.8	130.7	86.3	0	0	0	0	0	109.3
3	D	36.2	Very low	37.3	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	86%	0.864	S	S	*	*			cis	-165.6	134.8	-2.3	-101	-72.4	0	0	0	103.9
4	D	42.5	Very low	37.1	Very low	150 Å²	150	136.4 Å²	136.4	80%	0.802	85%	0.849	S	S	*	*				94.1	144.2	91.3	-158.2	-105.1	0	0	0	116.1
5	A	40.6	Very low	36.8	Very low	92 Å²	92	142.2 Å²	142.2	76%	0.76	86%	0.858	S	S	*	*			trans	115.8	114.5	148	0	0	0	0	0	119.2
6	G	35.7	Very low	36.5	Very low	86 Å²	86	138.5 Å²	138.5	89%	0.887	86%	0.858	S	S	*	*			trans	156.8	84.7	157	0	0	0	0	0	113.9
7	G	37.6	Very low	36.6	Very low	76 Å²	76	136.8 Å²	136.8	78%	0.784	86%	0.861	S	S	*	*			trans	-109.3	-157.7	-168.5	0	0	0	0	0	118.4
8	R	36.5	Very low	36.3	Very low	264 Å²	264	133.9 Å²	133.9	100%	0.996	86%	0.862	S	S	*	*			trans	91	121.6	165.2	-65.6	-175.6	176.4	-175.8	0.1	119.3
9	G	35.6	Very low	36.1	Very low	76 Å²	76	131.2 Å²	131.2	78%	0.784	86%	0.861	S	S	*	*			trans	174	74.6	160.1	0	0	0	0	0	111.9
10	G	33.9	Very low	36.3	Very low	77 Å²	77	137.7 Å²	137.7	79%	0.794	87%	0.867	S	S	*	*			trans	-78.1	144.7	179.9	0	0	0	0	0	113.7
11	F	35.7	Very low	36.3	Very low	221 Å²	221	134.9 Å²	134.9	97%	0.969	86%	0.864	S	S	*	*			trans	-115.1	124.8	161.5	-91.7	-88.4	0	0	0	109.8
12	R	38.2	Very low	36.3	Very low	253 Å²	253	136 Å²	136	96%	0.955	86%	0.856	S	S	*	*			trans	-117	140.6	-174.5	-150.1	-173.9	-167.1	-170.9	3.5	107.4
13	G	37.6	Very low	36	Very low	82 Å²	82	135.3 Å²	135.3	85%	0.845	86%	0.857	S	S	*	*			trans	119.8	121.3	164.2	0	0	0	0	0	113
14	G	33.7	Very low	36.1	Very low	64 Å²	64	139.9 Å²	139.9	66%	0.66	86%	0.863	S	S	*	*			cis	128.4	106	9.3	0	0	0	0	0	111.1
15	F	32.3	Very low	36.1	Very low	224 Å²	224	136.6 Å²	136.6	98%	0.982	86%	0.864	S	S	*	*			trans	65.6	137.8	147.8	-62.6	-87.1	0	0	0	121.9
16	G	32.8	Very low	36.2	Very low	83 Å²	83	143.9 Å²	143.9	86%	0.856	87%	0.872	S	S	*	*			trans	155.4	110.6	151.1	0	0	0	0	0	115.5
17	A	37.8	Very low	36.2	Very low	109 Å²	109	143.4 Å²	143.4	90%	0.901	87%	0.867	S	S	*	*			trans	-90	163.3	-175.3	0	0	0	0	0	114.5
18	G	32	Very low	36.4	Very low	86 Å²	86	151.7 Å²	151.7	89%	0.887	88%	0.875	S	S	*	*			trans	110.4	133.6	145.6	0	0	0	0	0	117.5
19	G	31.9	Very low	36.4	Very low	81 Å²	81	142.7 Å²	142.7	84%	0.835	86%	0.864	S	S	*	*			trans	143.2	98.6	155.8	0	0	0	0	0	116.6
20	R	40	Very low	36.7	Very low	262 Å²	262	150.5 Å²	150.5	99%	0.989	87%	0.87	S	S	*	*			trans	-58	142.9	168.4	-71	170.9	171	170.6	-3.5	112.2
21	G	35.6	Very low	36.9	Very low	79 Å²	79	150.4 Å²	150.4	81%	0.814	87%	0.869	S	S	*	*			trans	-151.6	107.9	167.2	0	0	0	0	0	112.9
22	R	38	Very low	37.4	Very low	257 Å²	257	151.7 Å²	151.7	97%	0.97	87%	0.867	S	S	*	*			trans	-63.1	140	175.6	-81.8	172	162.5	171.8	-5.8	112.6
23	G	32.8	Very low	37.4	Very low	70 Å²	70	142.9 Å²	142.9	72%	0.722	86%	0.856	S	S	*	*				86.5	118.2	129.2	0	0	0	0	0	118.9
24	R	37.9	Very low	37.8	Very low	246 Å²	246	150.5 Å²	150.5	93%	0.928	86%	0.859	S	S	*	*				175.5	117.9	116.3	-99.8	172.8	171.3	177.4	-1.9	109.9
25	G	42.2	Very low	38	Very low	81 Å²	81	150.9 Å²	150.9	84%	0.835	86%	0.862	S	S	*	*			trans	-58.4	139.1	164.2	0	0	0	0	0	110.6
26	R	41.6	Very low	38.6	Very low	244 Å²	244	145 Å²	145	92%	0.921	86%	0.856	S	S	*	*			trans	-135.8	126.6	161.2	-98.5	-177.1	172.2	179.6	-2.5	108.9
27	G	37.2	Very low	39.2	Very low	76 Å²	76	152.7 Å²	152.7	78%	0.784	86%	0.859	S	S	*	*			trans	-58.7	145.8	-161.7	0	0	0	0	0	115	G29	G27-G29 VanDerWaalsContact C-N 3.27Å; G27-G29 PolarHBondContact O-N 3.36Å
28	R	40.9	Very low	39.4	Very low	250 Å²	250	151 Å²	151	94%	0.943	85%	0.851	S	S	*	*			trans	-55.5	93.8	153.2	-81.9	177.2	168	177.7	-3.9	108.4	R30	R28-R30 VanDerWaalsContact C-N 3.27Å; R28-R30 PolarHBondContact O-N 3.19Å
29	G	36.8	Very low	39.7	Very low	75 Å²	75	149.8 Å²	149.8	77%	0.773	84%	0.84	S	S	*	*			trans	-64.5	91.3	163.1	0	0	0	0	0	108.6	G27 G31	G27-G29 VanDerWaalsContact C-N 3.27Å; G27-G29 PolarHBondContact O-N 3.36Å; G29-G31 PolarHBondContact O-N 3.41Å
30	R	40.9	Very low	40.2	Very low	240 Å²	240	155.5 Å²	155.5	91%	0.906	84%	0.841	S	S	*	*			trans	-59.6	94.7	159.2	-88.5	-179.3	169.8	175.1	-3	106.4	R28 R32	R28-R30 VanDerWaalsContact C-N 3.27Å; R28-R30 PolarHBondContact O-N 3.19Å; R30-R32 VanDerWaalsContact C-N 3.34Å; R30-R32 PolarHBondContact O-N 3.44Å
31	G	38.3	Very low	40.7	Very low	75 Å²	75	148 Å²	148	77%	0.773	83%	0.829	S	S	*	*			trans	-56.4	102.7	165.6	0	0	0	0	0	107.8	G29 G33	G29-G31 PolarHBondContact O-N 3.41Å; G31-G33 PolarHBondContact O-N 3.35Å
32	R	46.5	Very low	41.4	Very low	248 Å²	248	152.7 Å²	152.7	94%	0.936	83%	0.83	S	S	*	*			trans	-61.6	79.4	155.9	-95	178.5	165.8	175.9	-4.2	106.1	R30 R34	R30-R32 VanDerWaalsContact C-N 3.34Å; R30-R32 PolarHBondContact O-N 3.44Å; R32-R34 VanDerWaalsContact C-N 3.34Å; R32-R34 PolarHBondContact O-N 3.22Å
33	G	39	Very low	42.5	Very low	69 Å²	69	148.2 Å²	148.2	71%	0.711	83%	0.825	S	S	*	*			trans	-61.3	103.2	164	0	0	0	0	0	106.2	G31 G35	G31-G33 PolarHBondContact O-N 3.35Å; G33-G35 PolarHBondContact O-N 3.02Å
34	R	45.9	Very low	44.6	Very low	242 Å²	242	154.4 Å²	154.4	91%	0.913	83%	0.832	S	S	*	*			trans	-37.3	116.1	172.8	-75.6	173	169.2	175.3	-4.5	108.2	R32 A36	R32-R34 VanDerWaalsContact C-N 3.34Å; R32-R34 PolarHBondContact O-N 3.22Å; R34-A36 PolarHBondContact O-N 2.8Å
35	G	37.3	Very low	46.9	Very low	71 Å²	71	149.7 Å²	149.7	73%	0.732	82%	0.821	S	S	*	*			trans	-47.1	117.8	169.7	0	0	0	0	0	107.3	G33 R37	G33-G35 PolarHBondContact O-N 3.02Å; G35-R37 PolarHBondContact O-N 3.38Å
36	A	45.8	Very low	49.3	Very low	102 Å²	102	148 Å²	148	84%	0.843	79%	0.789	S	S	*	*			trans	-61.1	87.8	162.1	0	0	0	0	0	105.3	R34 G38	R34-A36 PolarHBondContact O-N 2.8Å; A36-G38 PolarHBondContact O-N 3.28Å
37	R	44.1	Very low	51.7	Low	244 Å²	244	141.7 Å²	141.7	92%	0.921	78%	0.777	S	S	*	*			trans	-60.5	83.6	151.3	-102.7	-177.6	171.9	174.8	-3	103.9	G35 G39	G35-R37 PolarHBondContact O-N 3.38Å; R37-G39 PolarHBondContact O-N 3.1Å
38	G	42.8	Very low	54.3	Low	72 Å²	72	139 Å²	139	74%	0.742	75%	0.746	S	S	*	*			trans	-60.5	78.4	150.3	0	0	0	0	0	105.2	A36 K40	A36-G38 PolarHBondContact O-N 3.28Å; G38-K40 PolarHBondContact O-N 3.36Å
39	G	37.6	Very low	56.7	Low	62 Å²	62	132.8 Å²	132.8	64%	0.639	74%	0.736	S	S	*	*			trans	-55.6	113.9	159.4	0	0	0	0	0	104.3	R37 S41	R37-G39 PolarHBondContact O-N 3.1Å; G39-S41 PolarHBondContact O-N 3.42Å
40	K	42.3	Very low	59.4	Low	201 Å²	201	130.9 Å²	130.9	87%	0.874	71%	0.709	S	S	*	*			trans	-37	113.7	149.9	-104.5	174.5	168.3	180	0	104.8	G38 E42	G38-K40 PolarHBondContact O-N 3.36Å; K40-E42 VanDerWaalsContact C-N 3.3Å; K40-E42 PolarHBondContact O-N 2.93Å
41	S	50.3	Low	61.9	Low	105 Å²	105	125 Å²	125	73%	0.734	69%	0.69	S	S	*	*			trans	-55.1	107	171.4	44.9	0	0	0	0	105	G39 D43	G39-S41 PolarHBondContact O-N 3.42Å; S41-D43 PolarHBondContact O-N 3.21Å
42	E	50.4	Low	64.5	Low	177 Å²	177	121.6 Å²	121.6	83%	0.827	65%	0.654	S	S	*	*			trans	-46.8	129.7	163.5	-66.4	179.2	154.9	0	0	105.9	K40 K44	K40-E42 VanDerWaalsContact C-N 3.3Å; K40-E42 PolarHBondContact O-N 2.93Å; E42-K44 PolarHBondContact O-N 3.33Å
43	D	61.6	Low	66.8	Low	163 Å²	163	109.8 Å²	109.8	87%	0.872	61%	0.61	S	S	*	*			trans	-58.1	92.5	178.1	-69.6	-48.4	0	0	0	107.4	S41 E45	S41-D43 PolarHBondContact O-N 3.21Å; D43-E45 PolarHBondContact O-N 3.49Å
44	K	77.4	Confident	69.4	Low	199 Å²	199	108.2 Å²	108.2	87%	0.865	58%	0.582	S	S	*	*			trans	-67.3	115.7	-170.9	-158.6	176.6	-171.2	179.7	0	105.7	E42 W46	E42-K44 PolarHBondContact O-N 3.33Å; K44-W46 PolarHBondContact O-N 3.43Å; K44-W46 VanDerWaalsContact O-N 3.12Å
45	E	87	Confident	71.7	Confident	147 Å²	147	96.7 Å²	96.7	69%	0.687	54%	0.538	S	S	*	.			trans	-52.6	123.4	-179.1	-163.4	-163.1	144.5	0	0	109.3	D43 V47 K57	D43-E45 PolarHBondContact O-N 3.49Å; E45-V47 PolarHBondContact O-N 2.98Å; E45-K57 IonicContact OE1-NZ 2.75Å; E45-K57 PolarHBondContact OE1-NZ 3.31Å
46	W	91.6	Very high	74.4	Confident	47 Å²	47	93.3 Å²	93.3	18%	0.178	50%	0.504	C	S	.	.			trans	-67	118.3	-177.8	168.7	41	0	0	0	109.9	K44 P48 V56 K57 E76 E78 I79 F82	K44-W46 PolarHBondContact O-N 3.43Å; K44-W46 VanDerWaalsContact O-N 3.12Å; W46-P48 HydrophobicContact CZ2-CB 4.03Å; W46-V56 HydrophobicContact CH2-CB 4.34Å; W46-V56 HydrophobicContact CH2-CG1 4.11Å; W46-V56 HydrophobicContact CZ3-CG1 4.4Å; W46-K57 HydrophobicContact CZ3-CB 4.31Å; W46-K57 WeakPolarHBondContact O-CE 3.08Å; W46-K57 PolarHBondContact O-NZ 2.89Å; W46-E76 WeakPolarHBondContact CZ2-OE2 3.34Å; W46-E76 PolarHBondContact NE1-OE2 2.97Å; W46-E78 HydrophobicContact CB-CB 4.41Å; W46-E78 HydrophobicContact CB-CG 4.31Å; W46-E78 HydrophobicContact CD2-CB 3.4Å; W46-E78 HydrophobicContact CD2-CG 4.17Å; W46-E78 VanDerWaalsContact CE2-CB 3.42Å; W46-E78 HydrophobicContact CE3-CB 3.91Å; W46-E78 HydrophobicContact CG-CB 3.61Å; W46-E78 HydrophobicContact CG-CG 3.82Å; W46-E78 HydrophobicContact CH2-CB 4.42Å; W46-E78 HydrophobicContact CZ2-CB 3.97Å; W46-E78 HydrophobicContact CZ3-CB 4.38Å; W46-I79 HydrophobicContact CH2-CB 4.4Å; W46-I79 HydrophobicContact CH2-CG1 3.68Å; W46-I79 HydrophobicContact CZ2-CG1 3.68Å; W46-F82 HydrophobicContact CZ3-CB 4.21Å
47	V	91.4	Very high	76.6	Confident	110 Å²	110	91.6 Å²	91.6	67%	0.667	48%	0.477	S	S	*	.			trans	-105.9	106.5	173.1	-178.4	0	0	0	0	108.3	E45	E45-V47 PolarHBondContact O-N 2.98Å
48	P	93	Very high	78.9	Confident	20 Å²	20	83 Å²	83	13%	0.13	45%	0.45	C	S	.	.			trans	-71.1	138.3	-175.4	27.2	-34.5	0	0	0	111.5	W46 R54 K57 E76	W46-P48 HydrophobicContact CZ2-CB 4.03Å; P48-R54 HydrophobicContact CB-CG 4.16Å; P48-R54 HydrophobicContact CG-CB 4.45Å; P48-R54 HydrophobicContact CG-CG 3.78Å; P48-K57 VanDerWaalsContact CD-CD 3.48Å; P48-K57 HydrophobicContact CG-CB 4.05Å; P48-K57 HydrophobicContact CG-CD 3.88Å; P48-E76 WeakPolarHBondContact CA-OE2 3.43Å
49	V	91.5	Very high	81.3	Confident	120 Å²	120	86.4 Å²	86.4	73%	0.727	45%	0.448	S	S	*	.			trans	-104.4	-24.2	-179.9	-63.6	0	0	0	0	112	E76	V49-E76 HydrophobicContact CG2-CG 4.47Å; V49-E76 VanDerWaalsContact CG2-OE1 3.3Å; V49-E76 WeakPolarHBondContact CG2-OE1 3.32Å; V49-E76 PolarHBondContact N-OE1 2.96Å; V49-E76 VanDerWaalsContact N-OE1 3.11Å
50	T	93.1	Very high	84	Confident	34 Å²	34	87.2 Å²	87.2	21%	0.209	43%	0.434	C	S	.	.	S	Bend	trans	-88.4	161.3	178.7	60	0	0	0	0	112.4	L52 G53 R54 K75 E76	T50-L52 VanDerWaalsContact C-N 3.3Å; T50-G53 PolarHBondContact OG1-N 3.17Å; T50-R54 PolarHBondContact O-N 2.86Å; T50-R54 PolarHBondContact O-NE 2.93Å; T50-K75 HydrophobicContact CG2-CB 4.37Å; T50-E76 WeakPolarHBondContact CB-OE1 3.38Å; T50-E76 HydrophobicContact CG2-CG 4.45Å; T50-E76 VanDerWaalsContact CG2-OE1 3.23Å; T50-E76 WeakPolarHBondContact CG2-OE1 3.42Å; T50-E76 PolarHBondContact N-OE1 3.39Å; T50-E76 PolarHBondContact OG1-OE1 2.97Å
51	K	93	Very high	86.4	Confident	118 Å²	118	77.7 Å²	77.7	51%	0.513	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-43.7	169.4	-66.4	179.8	179.2	-175	0	110.5	R54 L55 Y252 L259	K51-R54 PolarHBondContact O-N 2.67Å; K51-L55 WeakPolarHBondContact O-CG 3.49Å; K51-L55 PolarHBondContact O-N 3.04Å; K51-L55 VanDerWaalsContact O-N 3.09Å; K51-Y252 HydrophobicContact CB-CD1 4.43Å; K51-Y252 HydrophobicContact CB-CE1 3.86Å; K51-L259 HydrophobicContact CB-CD1 4.2Å; K51-L259 HydrophobicContact CB-CD2 3.96Å; K51-L259 HydrophobicContact CD-CD1 4.29Å; K51-L259 HydrophobicContact CG-CD1 4.42Å; K51-L259 HydrophobicContact CG-CD2 4.28Å
52	L	94	Very high	88.3	Confident	3 Å²	3	80.7 Å²	80.7	2%	0.016	39%	0.392	C	S	.	.	H	α-helix	trans	-61.6	-49.1	178.2	-172.7	63.1	0	0	0	111.8	T50 R54 L55 V56 I61 I67 L72 I74 I79	T50-L52 VanDerWaalsContact C-N 3.3Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.17Å; L52-L55 PolarHBondContact O-N 3.41Å; L52-L55 VanDerWaalsContact O-N 3.16Å; L52-V56 HydrophobicContact CD1-CG2 4.48Å; L52-V56 WeakPolarHBondContact O-CG2 3.5Å; L52-V56 PolarHBondContact O-N 3.49Å; L52-I61 HydrophobicContact CD1-CD1 3.57Å; L52-I67 HydrophobicContact CD1-CD1 4.07Å; L52-I67 HydrophobicContact CD1-CG1 4.24Å; L52-I67 HydrophobicContact CD2-CD1 4.41Å; L52-I67 HydrophobicContact CD2-CG2 4.15Å; L52-I67 HydrophobicContact CG-CD1 4.48Å; L52-L72 HydrophobicContact CD1-CD1 4.01Å; L52-L72 HydrophobicContact CD2-CB 4.48Å; L52-I74 HydrophobicContact CD2-CG1 4.29Å; L52-I79 HydrophobicContact CB-CD1 4.38Å; L52-I79 HydrophobicContact CD2-CD1 3.97Å; L52-I79 HydrophobicContact CG-CD1 4Å
53	G	94.3	Very high	90.4	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-57.9	-40.2	178.7	0	0	0	0	0	112.6	T50 V56 K57	T50-G53 PolarHBondContact OG1-N 3.17Å; G53-V56 PolarHBondContact O-N 3.14Å; G53-K57 WeakPolarHBondContact O-CB 3.43Å; G53-K57 PolarHBondContact O-N 2.94Å
54	R	93.3	Very high	91.9	Very high	35 Å²	35	67.3 Å²	67.3	13%	0.132	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-48.5	174.7	-75.9	-179.9	-77.7	159.8	-9.8	112.1	P48 T50 K51 L52 V56 K57 D58 T262	P48-R54 HydrophobicContact CB-CG 4.16Å; P48-R54 HydrophobicContact CG-CB 4.45Å; P48-R54 HydrophobicContact CG-CG 3.78Å; T50-R54 PolarHBondContact O-N 2.86Å; T50-R54 PolarHBondContact O-NE 2.93Å; K51-R54 PolarHBondContact O-N 2.67Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.17Å; R54-V56 VanDerWaalsContact C-N 3.26Å; R54-V56 PolarHBondContact O-N 3.49Å; R54-K57 PolarHBondContact O-N 3.24Å; R54-D58 WeakPolarHBondContact O-CB 3.29Å; R54-D58 VanDerWaalsContact O-CG 3.23Å; R54-D58 PolarHBondContact O-N 3.09Å; R54-D58 VanDerWaalsContact O-OD2 3.13Å; R54-T262 PolarHBondContact NH1-OG1 3.18Å
55	L	94.1	Very high	92.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-35.9	177.8	-68.2	179.8	0	0	0	113	K51 L52 M59 K60 I61 P251 Y252 F255 L259	K51-L55 WeakPolarHBondContact O-CG 3.49Å; K51-L55 PolarHBondContact O-N 3.04Å; K51-L55 VanDerWaalsContact O-N 3.09Å; L52-L55 PolarHBondContact O-N 3.41Å; L52-L55 VanDerWaalsContact O-N 3.16Å; L55-M59 PolarHBondContact O-N 3.26Å; L55-K60 HydrophobicContact CB-CB 4.34Å; L55-K60 HydrophobicContact CD2-CB 4.03Å; L55-K60 HydrophobicContact CD2-CG 4.13Å; L55-K60 WeakPolarHBondContact O-CB 3.45Å; L55-K60 PolarHBondContact O-N 3.32Å; L55-I61 HydrophobicContact CB-CD1 3.8Å; L55-I61 HydrophobicContact CB-CG1 4.11Å; L55-I61 HydrophobicContact CD1-CD1 4.11Å; L55-I61 PolarHBondContact O-N 3.47Å; L55-P251 HydrophobicContact CD1-CB 4.31Å; L55-Y252 HydrophobicContact CD1-CD1 3.88Å; L55-Y252 HydrophobicContact CD1-CE1 4.13Å; L55-F255 HydrophobicContact CD2-CB 3.51Å; L55-F255 HydrophobicContact CD2-CD2 4.21Å; L55-F255 HydrophobicContact CD2-CG 4.06Å; L55-L259 HydrophobicContact CD1-CD1 4.24Å; L55-L259 HydrophobicContact CD2-CD1 4.5Å; L55-L259 HydrophobicContact CD2-CD2 4.01Å; L55-L259 HydrophobicContact CD2-CG 4.01Å; L55-L259 HydrophobicContact CG-CD1 4.5Å; L55-L259 HydrophobicContact CG-CD2 4.01Å; L55-L259 HydrophobicContact CG-CG 4.34Å
56	V	94.5	Very high	93	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-72.2	-49.1	177.3	173.3	0	0	0	0	110.8	W46 L52 G53 R54 D58 M59 I61 I67 I79 F82 F83	W46-V56 HydrophobicContact CH2-CB 4.34Å; W46-V56 HydrophobicContact CH2-CG1 4.11Å; W46-V56 HydrophobicContact CZ3-CG1 4.4Å; L52-V56 HydrophobicContact CD1-CG2 4.48Å; L52-V56 WeakPolarHBondContact O-CG2 3.5Å; L52-V56 PolarHBondContact O-N 3.49Å; G53-V56 PolarHBondContact O-N 3.14Å; R54-V56 VanDerWaalsContact C-N 3.26Å; R54-V56 PolarHBondContact O-N 3.49Å; V56-D58 VanDerWaalsContact C-N 3.26Å; V56-D58 PolarHBondContact O-N 3.2Å; V56-M59 PolarHBondContact O-N 2.89Å; V56-M59 VanDerWaalsContact O-N 3.08Å; V56-I61 HydrophobicContact CG2-CB 4.33Å; V56-I61 HydrophobicContact CG2-CD1 4.34Å; V56-I67 HydrophobicContact CG2-CD1 4.16Å; V56-I79 HydrophobicContact CG1-CG2 4.32Å; V56-I79 HydrophobicContact CG2-CG2 4.03Å; V56-F82 HydrophobicContact CG1-CB 4.12Å; V56-F82 HydrophobicContact CG1-CD1 3.51Å; V56-F82 HydrophobicContact CG1-CE1 4.11Å; V56-F82 HydrophobicContact CG1-CG 3.89Å; V56-F83 HydrophobicContact CB-CE2 4.41Å; V56-F83 HydrophobicContact CB-CZ 4.5Å; V56-F83 HydrophobicContact CG1-CD2 4.43Å; V56-F83 HydrophobicContact CG1-CE2 3.62Å; V56-F83 HydrophobicContact CG1-CZ 3.8Å; V56-F83 HydrophobicContact CG2-CE2 3.86Å; V56-F83 HydrophobicContact CG2-CZ 4.06Å
57	K	92.3	Very high	93.2	Very high	67 Å²	67	56.7 Å²	56.7	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-59.2	-38.6	178.3	-175.6	171.6	179.7	176.2	0	111.9	E45 W46 P48 G53 R54 M59	E45-K57 IonicContact OE1-NZ 2.75Å; E45-K57 PolarHBondContact OE1-NZ 3.31Å; W46-K57 HydrophobicContact CZ3-CB 4.31Å; W46-K57 WeakPolarHBondContact O-CE 3.08Å; W46-K57 PolarHBondContact O-NZ 2.89Å; P48-K57 VanDerWaalsContact CD-CD 3.48Å; P48-K57 HydrophobicContact CG-CB 4.05Å; P48-K57 HydrophobicContact CG-CD 3.88Å; G53-K57 WeakPolarHBondContact O-CB 3.43Å; G53-K57 PolarHBondContact O-N 2.94Å; R54-K57 PolarHBondContact O-N 3.24Å; K57-M59 PolarHBondContact O-N 3.18Å
58	D	92.4	Very high	93.3	Very high	63 Å²	63	53.7 Å²	53.7	34%	0.337	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	12.5	-179.2	-58.7	-30.3	0	0	0	113.2	R54 V56 K60 H258	R54-D58 WeakPolarHBondContact O-CB 3.29Å; R54-D58 VanDerWaalsContact O-CG 3.23Å; R54-D58 PolarHBondContact O-N 3.09Å; R54-D58 VanDerWaalsContact O-OD2 3.13Å; V56-D58 VanDerWaalsContact C-N 3.26Å; V56-D58 PolarHBondContact O-N 3.2Å; D58-K60 HydrophobicContact CB-CG 4.4Å; D58-K60 PolarHBondContact O-N 3.08Å; D58-H258 IonicContact OD2-CE1 3.14Å; D58-H258 PolarHBondContact OD2-CE1 2.99Å; D58-H258 IonicContact OD2-NE2 3.79Å
59	M	92.7	Very high	93.4	Very high	143 Å²	143	58.4 Å²	58.4	70%	0.704	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	31	177.5	-61.7	-172.8	-75.4	0	0	114.8	L55 V56 K57 F82	L55-M59 PolarHBondContact O-N 3.26Å; V56-M59 PolarHBondContact O-N 2.89Å; V56-M59 VanDerWaalsContact O-N 3.08Å; K57-M59 PolarHBondContact O-N 3.18Å; M59-F82 HydrophobicContact CG-CZ 4.08Å
60	K	93.1	Very high	93.6	Very high	80 Å²	80	55.6 Å²	55.6	35%	0.348	26%	0.261	S	S	.	.			trans	-80.8	-36.6	174.6	-60.1	-55.7	-177	-172.6	0	112.1	L55 D58 F255	L55-K60 HydrophobicContact CB-CB 4.34Å; L55-K60 HydrophobicContact CD2-CB 4.03Å; L55-K60 HydrophobicContact CD2-CG 4.13Å; L55-K60 WeakPolarHBondContact O-CB 3.45Å; L55-K60 PolarHBondContact O-N 3.32Å; D58-K60 HydrophobicContact CB-CG 4.4Å; D58-K60 PolarHBondContact O-N 3.08Å; K60-F255 HydrophobicContact CB-CD1 4.16Å; K60-F255 HydrophobicContact CB-CD2 3.9Å; K60-F255 HydrophobicContact CB-CE1 4.13Å; K60-F255 HydrophobicContact CB-CE2 3.87Å; K60-F255 HydrophobicContact CB-CG 4.06Å; K60-F255 HydrophobicContact CB-CZ 3.99Å; K60-F255 HydrophobicContact CD-CD1 4.06Å; K60-F255 HydrophobicContact CD-CE1 3.99Å; K60-F255 HydrophobicContact CG-CD1 4.21Å; K60-F255 HydrophobicContact CG-CE1 4.41Å; K60-F255 HydrophobicContact CG-CG 4.36Å; K60-F255 WeakPolarHBondContact O-CE2 3.41Å
61	I	93.7	Very high	93.6	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.286	C	S	.	.	S	Bend	trans	-96.6	119.2	171.7	-65.6	171.5	0	0	0	107.1	L52 L55 V56 T63 E66 I67 F83 P251	L52-I61 HydrophobicContact CD1-CD1 3.57Å; L55-I61 HydrophobicContact CB-CD1 3.8Å; L55-I61 HydrophobicContact CB-CG1 4.11Å; L55-I61 HydrophobicContact CD1-CD1 4.11Å; L55-I61 PolarHBondContact O-N 3.47Å; V56-I61 HydrophobicContact CG2-CB 4.33Å; V56-I61 HydrophobicContact CG2-CD1 4.34Å; I61-T63 WeakPolarHBondContact CG2-O 3.43Å; I61-E66 HydrophobicContact CG2-CB 4.21Å; I61-E66 WeakPolarHBondContact CG2-OE2 3.33Å; I61-I67 HydrophobicContact CG2-CD1 4.27Å; I61-I67 HydrophobicContact CG2-CG1 3.93Å; I61-F83 HydrophobicContact CG2-CZ 4.02Å; I61-P251 HydrophobicContact CD1-CB 3.97Å; I61-P251 HydrophobicContact CD1-CG 4.4Å; I61-P251 HydrophobicContact CG1-CB 4.07Å; I61-P251 HydrophobicContact CG1-CG 4.45Å
62	K	90.6	Very high	93.7	Very high	167 Å²	167	54.7 Å²	54.7	73%	0.726	27%	0.268	S	S	*	.			trans	-89.5	-29.6	-172.9	-68.3	-179.8	-177.4	175.3	0	112.7	E66 F83	K62-E66 PolarHBondContact N-OE2 3.16Å; K62-F83 WeakPolarHBondContact O-CE1 3.44Å
63	T	94.1	Very high	93.8	Very high	53 Å²	53	58.6 Å²	58.6	33%	0.325	29%	0.294	S	S	.	.			trans	-136.8	154.5	-172.4	90.8	0	0	0	0	112.1	I61 E65 E66	I61-T63 WeakPolarHBondContact CG2-O 3.43Å; T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 WeakPolarHBondContact CB-OE2 3.49Å; T63-E65 PolarHBondContact O-N 2.9Å; T63-E65 PolarHBondContact OG1-OE2 3.32Å; T63-E66 PolarHBondContact O-N 2.88Å
64	L	93.3	Very high	93.9	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-71.4	-26.4	179.9	-175.4	59.6	0	0	0	111.5	E66 I67 Y68 I74 I80 F83 L84	L64-E66 VanDerWaalsContact C-N 3.29Å; L64-E66 PolarHBondContact O-N 3.3Å; L64-I67 HydrophobicContact CD1-CB 4.41Å; L64-I67 HydrophobicContact CD1-CD1 4.02Å; L64-I67 WeakPolarHBondContact O-CB 3.5Å; L64-I67 PolarHBondContact O-N 3.09Å; L64-I67 VanDerWaalsContact O-N 3.09Å; L64-Y68 HydrophobicContact CD1-CE2 4.46Å; L64-Y68 HydrophobicContact CD2-CE2 3.8Å; L64-Y68 WeakPolarHBondContact CD2-OH 3.48Å; L64-Y68 HydrophobicContact CG-CD2 4.23Å; L64-Y68 HydrophobicContact CG-CE1 4.49Å; L64-Y68 HydrophobicContact CG-CE2 3.56Å; L64-Y68 WeakPolarHBondContact O-CD2 3.5Å; L64-Y68 PolarHBondContact O-N 3.41Å; L64-I74 HydrophobicContact CD1-CD1 3.97Å; L64-I80 HydrophobicContact CD1-CD1 3.65Å; L64-I80 HydrophobicContact CD2-CD1 3.99Å; L64-I80 HydrophobicContact CG-CD1 4.5Å; L64-F83 HydrophobicContact CB-CB 4.41Å; L64-F83 HydrophobicContact CB-CD2 4.29Å; L64-F83 HydrophobicContact CB-CG 4.27Å; L64-F83 HydrophobicContact CD1-CD2 4.16Å; L64-L84 HydrophobicContact CD2-CD1 3.61Å; L64-L84 HydrophobicContact CD2-CG 4.18Å
65	E	93.3	Very high	94	Very high	107 Å²	107	65.2 Å²	65.2	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-64	-32.8	177.4	-57.3	81.5	-178.4	0	0	112.4	T63 I67 Y68 L69	T63-E65 VanDerWaalsContact C-N 3.27Å; T63-E65 WeakPolarHBondContact CB-OE2 3.49Å; T63-E65 PolarHBondContact O-N 2.9Å; T63-E65 PolarHBondContact OG1-OE2 3.32Å; E65-I67 VanDerWaalsContact C-N 3.26Å; E65-I67 PolarHBondContact O-N 2.77Å; E65-Y68 PolarHBondContact O-N 2.93Å; E65-L69 WeakPolarHBondContact O-CB 3.49Å; E65-L69 PolarHBondContact O-N 3.31Å
66	E	93.4	Very high	94	Very high	64 Å²	64	66 Å²	66	30%	0.299	33%	0.328	S	S	.	.	H	α-helix	trans	-60	-39.5	172.6	-69.4	174.3	-170.2	0	0	110.9	I61 K62 T63 L64 L69 Y70	I61-E66 HydrophobicContact CG2-CB 4.21Å; I61-E66 WeakPolarHBondContact CG2-OE2 3.33Å; K62-E66 PolarHBondContact N-OE2 3.16Å; T63-E66 PolarHBondContact O-N 2.88Å; L64-E66 VanDerWaalsContact C-N 3.29Å; L64-E66 PolarHBondContact O-N 3.3Å; E66-L69 PolarHBondContact O-N 3.39Å; E66-Y70 VanDerWaalsContact O-CD2 3.32Å; E66-Y70 WeakPolarHBondContact O-CD2 3.4Å; E66-Y70 PolarHBondContact O-N 2.96Å
67	I	95.4	Very high	94.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-41.4	177.5	-55.6	-175.6	0	0	0	110.2	L52 V56 I61 L64 E65 S71 L72 I74 I79 F83	L52-I67 HydrophobicContact CD1-CD1 4.07Å; L52-I67 HydrophobicContact CD1-CG1 4.24Å; L52-I67 HydrophobicContact CD2-CD1 4.41Å; L52-I67 HydrophobicContact CD2-CG2 4.15Å; L52-I67 HydrophobicContact CG-CD1 4.48Å; V56-I67 HydrophobicContact CG2-CD1 4.16Å; I61-I67 HydrophobicContact CG2-CD1 4.27Å; I61-I67 HydrophobicContact CG2-CG1 3.93Å; L64-I67 HydrophobicContact CD1-CB 4.41Å; L64-I67 HydrophobicContact CD1-CD1 4.02Å; L64-I67 WeakPolarHBondContact O-CB 3.5Å; L64-I67 PolarHBondContact O-N 3.09Å; L64-I67 VanDerWaalsContact O-N 3.09Å; E65-I67 VanDerWaalsContact C-N 3.26Å; E65-I67 PolarHBondContact O-N 2.77Å; I67-S71 PolarHBondContact O-N 2.83Å; I67-L72 HydrophobicContact CG2-CB 3.93Å; I67-L72 PolarHBondContact O-N 2.96Å; I67-L72 VanDerWaalsContact O-N 3.08Å; I67-I74 HydrophobicContact CG2-CD1 4.06Å; I67-I74 HydrophobicContact CG2-CG1 3.89Å; I67-I79 HydrophobicContact CD1-CG2 4.04Å; I67-F83 HydrophobicContact CD1-CE2 3.87Å
68	Y	95.1	Very high	94.2	Very high	47 Å²	47	67.1 Å²	67.1	18%	0.184	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-40.3	177.9	-64.4	-39.3	0	0	0	113.1	L64 E65 Y70 S71 H122 I148 P150	L64-Y68 HydrophobicContact CD1-CE2 4.46Å; L64-Y68 HydrophobicContact CD2-CE2 3.8Å; L64-Y68 WeakPolarHBondContact CD2-OH 3.48Å; L64-Y68 HydrophobicContact CG-CD2 4.23Å; L64-Y68 HydrophobicContact CG-CE1 4.49Å; L64-Y68 HydrophobicContact CG-CE2 3.56Å; L64-Y68 WeakPolarHBondContact O-CD2 3.5Å; L64-Y68 PolarHBondContact O-N 3.41Å; E65-Y68 PolarHBondContact O-N 2.93Å; Y68-Y70 VanDerWaalsContact C-N 3.28Å; Y68-Y70 PolarHBondContact O-N 3.31Å; Y68-S71 PolarHBondContact O-N 2.73Å; Y68-H122 AromaticContact CE2-CD2 3.92Å; Y68-H122 AromaticContact CE2-NE2 3.94Å; Y68-I148 WeakPolarHBondContact OH-CG2 3.46Å; Y68-I148 PolarHBondContact OH-O 3.4Å; Y68-P150 HydrophobicContact CD1-CG 4.4Å; Y68-P150 HydrophobicContact CD2-CB 3.92Å; Y68-P150 HydrophobicContact CD2-CG 3.66Å; Y68-P150 HydrophobicContact CE2-CB 3.84Å; Y68-P150 HydrophobicContact CE2-CG 3.86Å; Y68-P150 HydrophobicContact CG-CG 3.95Å
69	L	94.8	Very high	94.3	Very high	118 Å²	118	64.1 Å²	64.1	62%	0.618	32%	0.32	S	S	*	.	H	α-helix	trans	-56.2	-44.1	179.4	-179.7	64.4	0	0	0	111.7	E65 E66 S71	E65-L69 WeakPolarHBondContact O-CB 3.49Å; E65-L69 PolarHBondContact O-N 3.31Å; E66-L69 PolarHBondContact O-N 3.39Å; L69-S71 VanDerWaalsContact C-N 3.33Å
70	Y	95.1	Very high	94.4	Very high	62 Å²	62	57.3 Å²	57.3	24%	0.243	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	6	178.5	-67.1	-74.7	0	0	0	114	E66 Y68 L72 T248 K249 P251	E66-Y70 VanDerWaalsContact O-CD2 3.32Å; E66-Y70 WeakPolarHBondContact O-CD2 3.4Å; E66-Y70 PolarHBondContact O-N 2.96Å; Y68-Y70 VanDerWaalsContact C-N 3.28Å; Y68-Y70 PolarHBondContact O-N 3.31Å; Y70-L72 PolarHBondContact O-N 3.44Å; Y70-T248 WeakPolarHBondContact OH-CB 3.39Å; Y70-T248 PolarHBondContact OH-O 3.02Å; Y70-T248 PolarHBondContact OH-OG1 2.94Å; Y70-K249 PolarHBondContact OH-N 3.4Å; Y70-K249 PolarHBondContact OH-O 2.75Å; Y70-P251 HydrophobicContact CD2-CG 4.01Å; Y70-P251 VanDerWaalsContact CE2-CD 3.45Å; Y70-P251 HydrophobicContact CE2-CG 4.24Å
71	S	94.4	Very high	94.4	Very high	105 Å²	105	56.1 Å²	56.1	73%	0.734	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	39.3	-179.9	-61.5	0	0	0	0	113.2	I67 Y68 L69	I67-S71 PolarHBondContact O-N 2.83Å; Y68-S71 PolarHBondContact O-N 2.73Å; L69-S71 VanDerWaalsContact C-N 3.33Å
72	L	94.6	Very high	94.4	Very high	27 Å²	27	60.8 Å²	60.8	14%	0.141	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-76.4	132.5	-176.6	-59.8	-179	0	0	0	110.7	L52 I67 Y70 I74 Y252	L52-L72 HydrophobicContact CD1-CD1 4.01Å; L52-L72 HydrophobicContact CD2-CB 4.48Å; I67-L72 HydrophobicContact CG2-CB 3.93Å; I67-L72 PolarHBondContact O-N 2.96Å; I67-L72 VanDerWaalsContact O-N 3.08Å; Y70-L72 PolarHBondContact O-N 3.44Å; L72-I74 PolarHBondContact O-N 3.31Å; L72-Y252 HydrophobicContact CD1-CE2 4.21Å; L72-Y252 HydrophobicContact CD2-CD2 4.14Å; L72-Y252 HydrophobicContact CD2-CE2 3.61Å; L72-Y252 HydrophobicContact CG-CE2 4.49Å
73	P	95.6	Very high	94.5	Very high	85 Å²	85	55 Å²	55	55%	0.552	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-74.9	118.6	-178.3	28.7	-34	0	0	0	111.5
74	I	96.2	Very high	94.3	Very high	22 Å²	22	53.8 Å²	53.8	11%	0.113	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-79.4	120.3	173.9	-54	179.1	0	0	0	108.8	L52 L64 I67 L72 E76 I79 I80 L146	L52-I74 HydrophobicContact CD2-CG1 4.29Å; L64-I74 HydrophobicContact CD1-CD1 3.97Å; I67-I74 HydrophobicContact CG2-CD1 4.06Å; I67-I74 HydrophobicContact CG2-CG1 3.89Å; L72-I74 PolarHBondContact O-N 3.31Å; I74-E76 WeakPolarHBondContact CG2-O 3.35Å; I74-I79 HydrophobicContact CG2-CB 4.17Å; I74-I79 HydrophobicContact CG2-CD1 4.19Å; I74-I79 HydrophobicContact CG2-CG2 4.29Å; I74-I80 HydrophobicContact CD1-CD1 3.56Å; I74-I80 HydrophobicContact CD1-CG1 4.34Å; I74-I80 HydrophobicContact CG2-CG1 4.22Å; I74-L146 HydrophobicContact CG2-CD2 4.16Å
75	K	95.6	Very high	93.8	Very high	152 Å²	152	55.3 Å²	55.3	66%	0.661	29%	0.288	S	S	*	.			trans	-117	-9.6	-177.8	-65.3	-175.1	179.4	-179.7	0	114.1	T50 L146	T50-K75 HydrophobicContact CG2-CB 4.37Å; K75-L146 VanDerWaalsContact C-CD2 3.43Å
76	E	94.9	Very high	93.5	Very high	16 Å²	16	56.6 Å²	56.6	8%	0.075	31%	0.308	C	S	.	.			trans	-119.1	125.6	179	-63.1	174.3	-145.8	0	0	107.3	W46 P48 V49 T50 I74 E78 I79 L146	W46-E76 WeakPolarHBondContact CZ2-OE2 3.34Å; W46-E76 PolarHBondContact NE1-OE2 2.97Å; P48-E76 WeakPolarHBondContact CA-OE2 3.43Å; V49-E76 HydrophobicContact CG2-CG 4.47Å; V49-E76 VanDerWaalsContact CG2-OE1 3.3Å; V49-E76 WeakPolarHBondContact CG2-OE1 3.32Å; V49-E76 PolarHBondContact N-OE1 2.96Å; V49-E76 VanDerWaalsContact N-OE1 3.11Å; T50-E76 WeakPolarHBondContact CB-OE1 3.38Å; T50-E76 HydrophobicContact CG2-CG 4.45Å; T50-E76 VanDerWaalsContact CG2-OE1 3.23Å; T50-E76 WeakPolarHBondContact CG2-OE1 3.42Å; T50-E76 PolarHBondContact N-OE1 3.39Å; T50-E76 PolarHBondContact OG1-OE1 2.97Å; I74-E76 WeakPolarHBondContact CG2-O 3.35Å; E76-E78 PolarHBondContact O-N 2.86Å; E76-I79 HydrophobicContact CB-CD1 3.92Å; E76-I79 HydrophobicContact CB-CG1 4.09Å; E76-I79 WeakPolarHBondContact O-CB 3.22Å; E76-I79 PolarHBondContact O-N 3.11Å; E76-L146 VanDerWaalsContact C-CD2 3.47Å
77	S	94.8	Very high	93.2	Very high	13 Å²	13	55.1 Å²	55.1	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-69.3	-25.7	-179	42.3	0	0	0	0	112.2	I79 I80 D81	S77-I79 PolarHBondContact O-N 3.18Å; S77-I80 WeakPolarHBondContact O-CB 3.33Å; S77-I80 PolarHBondContact O-N 2.61Å; S77-D81 PolarHBondContact O-N 3.43Å; S77-D81 VanDerWaalsContact O-N 3.14Å
78	E	94.9	Very high	93.1	Very high	79 Å²	79	56.5 Å²	56.5	37%	0.369	32%	0.318	S	S	.	.	H	α-helix	trans	-62.8	-27.3	179.4	-62.6	86	164	0	0	111.7	W46 E76 I80 D81 F82	W46-E78 HydrophobicContact CB-CB 4.41Å; W46-E78 HydrophobicContact CB-CG 4.31Å; W46-E78 HydrophobicContact CD2-CB 3.4Å; W46-E78 HydrophobicContact CD2-CG 4.17Å; W46-E78 VanDerWaalsContact CE2-CB 3.42Å; W46-E78 HydrophobicContact CE3-CB 3.91Å; W46-E78 HydrophobicContact CG-CB 3.61Å; W46-E78 HydrophobicContact CG-CG 3.82Å; W46-E78 HydrophobicContact CH2-CB 4.42Å; W46-E78 HydrophobicContact CZ2-CB 3.97Å; W46-E78 HydrophobicContact CZ3-CB 4.38Å; E76-E78 PolarHBondContact O-N 2.86Å; E78-I80 VanDerWaalsContact C-N 3.3Å; E78-I80 PolarHBondContact O-N 2.78Å; E78-D81 PolarHBondContact O-N 3.12Å; E78-F82 WeakPolarHBondContact O-CB 3.45Å; E78-F82 PolarHBondContact O-N 3.07Å
79	I	95	Very high	93.1	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-43.5	171.4	-67	167.9	0	0	0	110.6	W46 L52 V56 I67 I74 E76 S77 F82 F83	W46-I79 HydrophobicContact CH2-CB 4.4Å; W46-I79 HydrophobicContact CH2-CG1 3.68Å; W46-I79 HydrophobicContact CZ2-CG1 3.68Å; L52-I79 HydrophobicContact CB-CD1 4.38Å; L52-I79 HydrophobicContact CD2-CD1 3.97Å; L52-I79 HydrophobicContact CG-CD1 4Å; V56-I79 HydrophobicContact CG1-CG2 4.32Å; V56-I79 HydrophobicContact CG2-CG2 4.03Å; I67-I79 HydrophobicContact CD1-CG2 4.04Å; I74-I79 HydrophobicContact CG2-CB 4.17Å; I74-I79 HydrophobicContact CG2-CD1 4.19Å; I74-I79 HydrophobicContact CG2-CG2 4.29Å; E76-I79 HydrophobicContact CB-CD1 3.92Å; E76-I79 HydrophobicContact CB-CG1 4.09Å; E76-I79 WeakPolarHBondContact O-CB 3.22Å; E76-I79 PolarHBondContact O-N 3.11Å; S77-I79 PolarHBondContact O-N 3.18Å; I79-F82 PolarHBondContact O-N 3.4Å; I79-F83 HydrophobicContact CG2-CD2 4.29Å; I79-F83 HydrophobicContact CG2-CE2 4.1Å; I79-F83 WeakPolarHBondContact O-CD2 3.38Å; I79-F83 PolarHBondContact O-N 3.45Å
80	I	94.9	Very high	93.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-72.8	-36.1	179.3	-64.3	-57.3	0	0	0	110.8	L64 I74 S77 E78 F82 F83 L84 L88 K145 I148	L64-I80 HydrophobicContact CD1-CD1 3.65Å; L64-I80 HydrophobicContact CD2-CD1 3.99Å; L64-I80 HydrophobicContact CG-CD1 4.5Å; I74-I80 HydrophobicContact CD1-CD1 3.56Å; I74-I80 HydrophobicContact CD1-CG1 4.34Å; I74-I80 HydrophobicContact CG2-CG1 4.22Å; S77-I80 WeakPolarHBondContact O-CB 3.33Å; S77-I80 PolarHBondContact O-N 2.61Å; E78-I80 VanDerWaalsContact C-N 3.3Å; E78-I80 PolarHBondContact O-N 2.78Å; I80-F82 VanDerWaalsContact C-N 3.28Å; I80-F82 PolarHBondContact O-N 3.09Å; I80-F83 PolarHBondContact O-N 3.49Å; I80-L84 PolarHBondContact O-N 3.4Å; I80-L88 HydrophobicContact CG2-CD1 3.6Å; I80-K145 HydrophobicContact CB-CB 4.29Å; I80-K145 WeakPolarHBondContact CG1-O 3.26Å; I80-K145 HydrophobicContact CG2-CB 4.22Å; I80-K145 HydrophobicContact CG2-CG 4.41Å; I80-I148 HydrophobicContact CD1-CG2 3.45Å; I80-I148 VanDerWaalsContact CD1-CG2 3.45Å; I80-I148 HydrophobicContact CG1-CG2 3.88Å; I80-I148 HydrophobicContact CG2-CD1 4.3Å; I80-I148 HydrophobicContact CG2-CG2 4.25Å
81	D	93.5	Very high	93.2	Very high	55 Å²	55	58.3 Å²	58.3	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-33.7	175.6	-67.4	-26.6	0	0	0	112.1	S77 E78 G85 K145	S77-D81 PolarHBondContact O-N 3.43Å; S77-D81 VanDerWaalsContact O-N 3.14Å; E78-D81 PolarHBondContact O-N 3.12Å; D81-G85 WeakPolarHBondContact O-CA 3.49Å; D81-G85 PolarHBondContact O-N 3.48Å; D81-K145 WeakPolarHBondContact OD1-CD 3.23Å; D81-K145 WeakPolarHBondContact OD1-CE 3.3Å; D81-K145 IonicContact OD1-NZ 3.6Å; D81-K145 PolarHBondContact OD1-NZ 3.48Å; D81-K145 IonicContact OD2-NZ 3.66Å; D81-K145 PolarHBondContact OD2-NZ 3.21Å
82	F	92.9	Very high	93.3	Very high	99 Å²	99	55.8 Å²	55.8	43%	0.434	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-42.5	174.3	-176.2	-94.1	0	0	0	112.5	W46 V56 M59 E78 I79 I80	W46-F82 HydrophobicContact CZ3-CB 4.21Å; V56-F82 HydrophobicContact CG1-CB 4.12Å; V56-F82 HydrophobicContact CG1-CD1 3.51Å; V56-F82 HydrophobicContact CG1-CE1 4.11Å; V56-F82 HydrophobicContact CG1-CG 3.89Å; M59-F82 HydrophobicContact CG-CZ 4.08Å; E78-F82 WeakPolarHBondContact O-CB 3.45Å; E78-F82 PolarHBondContact O-N 3.07Å; I79-F82 PolarHBondContact O-N 3.4Å; I80-F82 VanDerWaalsContact C-N 3.28Å; I80-F82 PolarHBondContact O-N 3.09Å
83	F	92.9	Very high	93.3	Very high	45 Å²	45	55.6 Å²	55.6	20%	0.197	31%	0.307	C	S	.	.	H	α-helix	trans	-86.2	-43.1	-177.7	-69.4	-63.8	0	0	0	114	V56 I61 K62 L64 I67 I79 I80	V56-F83 HydrophobicContact CB-CE2 4.41Å; V56-F83 HydrophobicContact CB-CZ 4.5Å; V56-F83 HydrophobicContact CG1-CD2 4.43Å; V56-F83 HydrophobicContact CG1-CE2 3.62Å; V56-F83 HydrophobicContact CG1-CZ 3.8Å; V56-F83 HydrophobicContact CG2-CE2 3.86Å; V56-F83 HydrophobicContact CG2-CZ 4.06Å; I61-F83 HydrophobicContact CG2-CZ 4.02Å; K62-F83 WeakPolarHBondContact O-CE1 3.44Å; L64-F83 HydrophobicContact CB-CB 4.41Å; L64-F83 HydrophobicContact CB-CD2 4.29Å; L64-F83 HydrophobicContact CB-CG 4.27Å; L64-F83 HydrophobicContact CD1-CD2 4.16Å; I67-F83 HydrophobicContact CD1-CE2 3.87Å; I79-F83 HydrophobicContact CG2-CD2 4.29Å; I79-F83 HydrophobicContact CG2-CE2 4.1Å; I79-F83 WeakPolarHBondContact O-CD2 3.38Å; I79-F83 PolarHBondContact O-N 3.45Å; I80-F83 PolarHBondContact O-N 3.49Å
84	L	90.2	Very high	93.2	Very high	28 Å²	28	56 Å²	56	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-119.4	3.2	-167.8	-60.8	177.6	0	0	0	113.1	L64 I80 S86 G87 L88 H122 I148	L64-L84 HydrophobicContact CD2-CD1 3.61Å; L64-L84 HydrophobicContact CD2-CG 4.18Å; I80-L84 PolarHBondContact O-N 3.4Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 3.3Å; L84-S86 VanDerWaalsContact O-N 3.08Å; L84-G87 PolarHBondContact O-N 3.4Å; L84-L88 HydrophobicContact CB-CD1 3.7Å; L84-L88 HydrophobicContact CB-CD2 4.1Å; L84-L88 HydrophobicContact CB-CG 3.7Å; L84-L88 HydrophobicContact CD1-CD2 4.23Å; L84-L88 WeakPolarHBondContact O-CG 3.34Å; L84-L88 PolarHBondContact O-N 3.47Å; L84-L88 VanDerWaalsContact O-N 3.11Å; L84-H122 HydrophobicContact CD1-CB 4.14Å; L84-I148 HydrophobicContact CD1-CD1 3.93Å
85	G	82.3	Confident	93.2	Very high	38 Å²	38	58.3 Å²	58.3	39%	0.392	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34	-166.7	0	0	0	0	0	116	D81	D81-G85 WeakPolarHBondContact O-CA 3.49Å; D81-G85 PolarHBondContact O-N 3.48Å
86	S	86	Confident	93.1	Very high	133 Å²	133	54.5 Å²	54.5	93%	0.93	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-23	177.9	59.6	0	0	0	0	114.1	L84	L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 3.3Å; L84-S86 VanDerWaalsContact O-N 3.08Å
87	G	88.4	Confident	93.2	Very high	34 Å²	34	57.4 Å²	57.4	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-18.3	-173.5	0	0	0	0	0	114.5	L84 K89	L84-G87 PolarHBondContact O-N 3.4Å; G87-K89 PolarHBondContact O-N 3.47Å
88	L	93.6	Very high	93.3	Very high	28 Å²	28	58.8 Å²	58.8	15%	0.147	33%	0.325	C	S	.	.			trans	-73.9	125.4	-176.5	-69.7	168.8	0	0	0	111.7	I80 L84 I116 D118 I148	I80-L88 HydrophobicContact CG2-CD1 3.6Å; L84-L88 HydrophobicContact CB-CD1 3.7Å; L84-L88 HydrophobicContact CB-CD2 4.1Å; L84-L88 HydrophobicContact CB-CG 3.7Å; L84-L88 HydrophobicContact CD1-CD2 4.23Å; L84-L88 WeakPolarHBondContact O-CG 3.34Å; L84-L88 PolarHBondContact O-N 3.47Å; L84-L88 VanDerWaalsContact O-N 3.11Å; L88-I116 HydrophobicContact CB-CG2 4.27Å; L88-I116 HydrophobicContact CD1-CG2 4.45Å; L88-I116 HydrophobicContact CD2-CG2 3.58Å; L88-I116 HydrophobicContact CG-CG2 4.3Å; L88-D118 HydrophobicContact CD2-CB 4.27Å; L88-I148 HydrophobicContact CD2-CD1 3.67Å
89	K	95.5	Very high	93.4	Very high	122 Å²	122	60.4 Å²	60.4	53%	0.53	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.9	167.1	-54.1	-163.2	-166.9	168.5	0	109.7	G87 I116 G117 Y119	G87-K89 PolarHBondContact O-N 3.47Å; K89-I116 WeakPolarHBondContact O-CA 3.43Å; K89-G117 PolarHBondContact N-O 3.35Å; K89-G117 PolarHBondContact O-N 2.81Å; K89-G117 VanDerWaalsContact O-N 3.08Å; K89-Y119 HydrophobicContact CB-CE2 4.07Å; K89-Y119 HydrophobicContact CD-CE2 3.65Å; K89-Y119 HydrophobicContact CG-CE2 3.94Å
90	D	95	Very high	93.4	Very high	89 Å²	89	67.2 Å²	67.2	48%	0.476	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.8	171.9	64.7	-71	0	0	0	111.6	V114 A115 I116 I141	D90-V114 HydrophobicContact CB-CG1 4.22Å; D90-A115 WeakPolarHBondContact CA-O 3.41Å; D90-I116 HydrophobicContact CB-CD1 4.25Å; D90-I116 HydrophobicContact CB-CG1 3.71Å; D90-I141 HydrophobicContact CB-CG1 4.36Å
91	E	95.8	Very high	93.6	Very high	54 Å²	54	73.3 Å²	73.3	25%	0.252	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.6	173.5	-170.8	176.2	-174.5	0	0	110.5	L93 V114 A115 K198 M202	E91-L93 PolarHBondContact O-N 3Å; E91-V114 WeakPolarHBondContact O-CA 3.18Å; E91-A115 PolarHBondContact N-O 3.08Å; E91-A115 PolarHBondContact O-N 3.45Å; E91-K198 WeakPolarHBondContact OE1-CD 3.35Å; E91-K198 WeakPolarHBondContact OE1-CE 3.32Å; E91-K198 IonicContact OE1-NZ 3.65Å; E91-K198 PolarHBondContact OE1-NZ 2.64Å; E91-K198 WeakPolarHBondContact OE2-CD 3.4Å; E91-K198 WeakPolarHBondContact OE2-CG 3.35Å; E91-M202 HydrophobicContact CB-CE 3.19Å; E91-M202 HydrophobicContact CG-CE 4.39Å
92	V	96.1	Very high	93.7	Very high	52 Å²	52	73.3 Å²	73.3	32%	0.315	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113	175.9	-173.4	0	0	0	0	108.9	I95 V114 I137	V92-I95 HydrophobicContact CG1-CD1 4.24Å; V92-I95 HydrophobicContact CG1-CG1 3.94Å; V92-V114 HydrophobicContact CG2-CG2 4.21Å; V92-I137 HydrophobicContact CG2-CG2 4.11Å
93	L	94.6	Very high	93.9	Very high	24 Å²	24	81.3 Å²	81.3	13%	0.126	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-49.6	-178.3	-63.9	177.5	0	0	0	112	E91 F113 A115 L125 K198 L219 A223	E91-L93 PolarHBondContact O-N 3Å; L93-F113 HydrophobicContact CB-CB 4.24Å; L93-F113 PolarHBondContact N-O 3.2Å; L93-A115 HydrophobicContact CD1-CB 4.17Å; L93-A115 HydrophobicContact CD2-CB 4.36Å; L93-A115 HydrophobicContact CG-CB 4.21Å; L93-L125 HydrophobicContact CD1-CD1 4.07Å; L93-K198 HydrophobicContact CD2-CB 4.16Å; L93-K198 HydrophobicContact CD2-CD 3.91Å; L93-L219 HydrophobicContact CB-CD2 4.29Å; L93-A223 HydrophobicContact CD1-CB 4.1Å
94	K	93.8	Very high	94	Very high	92 Å²	92	84 Å²	84	40%	0.4	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	142.6	179.8	-177.4	164.4	177.6	171.7	0	111	F113 L219	K94-F113 PolarHBondContact O-N 2.84Å; K94-L219 HydrophobicContact CB-CD1 3.76Å; K94-L219 HydrophobicContact CB-CD2 3.86Å; K94-L219 HydrophobicContact CB-CG 4.4Å; K94-L219 HydrophobicContact CD-CB 4.16Å; K94-L219 HydrophobicContact CD-CD1 3.73Å; K94-L219 HydrophobicContact CD-CG 4.36Å; K94-L219 HydrophobicContact CG-CD1 4.37Å
95	I	95.7	Very high	94.2	Very high	71 Å²	71	84 Å²	84	36%	0.364	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132	167.3	-59.4	160	0	0	0	107.2	V92 F110 K111 V133 I137	V92-I95 HydrophobicContact CG1-CD1 4.24Å; V92-I95 HydrophobicContact CG1-CG1 3.94Å; I95-F110 HydrophobicContact CG2-CB 4.32Å; I95-F110 HydrophobicContact CG2-CD1 4.3Å; I95-K111 WeakPolarHBondContact CA-O 3.47Å; I95-V133 HydrophobicContact CD1-CG1 3.76Å; I95-V133 HydrophobicContact CG2-CG1 4.29Å; I95-I137 HydrophobicContact CD1-CD1 4.09Å
96	M	94.6	Very high	94.9	Very high	72 Å²	72	88.2 Å²	88.2	36%	0.355	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124	-178.4	-166	172.3	76.4	0	0	110.1	V98 K111	M96-V98 HydrophobicContact CE-CG1 3.83Å; M96-V98 PolarHBondContact O-N 3.22Å; M96-K111 PolarHBondContact N-O 2.84Å; M96-K111 PolarHBondContact O-N 3.25Å
97	P	96.6	Very high	95.3	Very high	77 Å²	77	88.4 Å²	88.4	50%	0.5	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.9	169.7	29.5	-32.3	0	0	0	108.9	R109 F110	P97-R109 WeakPolarHBondContact CA-O 3.48Å; P97-F110 HydrophobicContact CB-CD1 4.26Å; P97-F110 HydrophobicContact CB-CE1 4.14Å
98	V	96.4	Very high	95.7	Very high	42 Å²	42	90 Å²	90	26%	0.255	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.9	173.4	-66	0	0	0	0	108.4	M96 R109 K111	M96-V98 HydrophobicContact CE-CG1 3.83Å; M96-V98 PolarHBondContact O-N 3.22Å; V98-R109 HydrophobicContact CG2-CB 4.03Å; V98-R109 WeakPolarHBondContact CG2-O 3.47Å; V98-R109 PolarHBondContact N-O 2.68Å; V98-R109 PolarHBondContact O-N 3.46Å; V98-K111 HydrophobicContact CG1-CB 4.31Å
99	Q	96.6	Very high	95.9	Very high	113 Å²	113	94 Å²	94	53%	0.528	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.9	-171.9	-49.6	-173.4	-6.4	0	0	110	Q106 T108	Q99-Q106 VanDerWaalsContact OE1-OE1 3.08Å; Q99-T108 HydrophobicContact CG-CG2 3.86Å
100	K	96.9	Very high	96	Very high	143 Å²	143	91.1 Å²	91.1	62%	0.622	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.7	170.1	179.3	177.6	178.7	178.2	0	108.5	R107	K100-R107 PolarHBondContact N-O 3.32Å; K100-R107 PolarHBondContact O-N 3.44Å
101	Q	97.4	Very high	96.1	Very high	128 Å²	128	89.8 Å²	89.8	60%	0.598	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.4	171.9	-168.7	64.8	9.3	0	0	110
102	T	96.9	Very high	96.2	Very high	56 Å²	56	87.2 Å²	87.2	34%	0.344	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	171.7	173.9	72.2	0	0	0	0	109.9	A104 G105 R107	T102-A104 PolarHBondContact O-N 3.3Å; T102-A104 PolarHBondContact OG1-N 3.3Å; T102-G105 WeakPolarHBondContact CA-O 2.94Å; T102-G105 WeakPolarHBondContact CB-O 3.39Å; T102-G105 PolarHBondContact N-O 3.45Å; T102-G105 PolarHBondContact O-N 2.65Å; T102-G105 PolarHBondContact OG1-O 2.89Å; T102-R107 HydrophobicContact CG2-CB 4.11Å
103	R	96.1	Very high	96.2	Very high	266 Å²	266	85 Å²	85	100%	1.004	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.7	175.7	-68.6	-177.4	173.3	-175.2	-3	112.5
104	A	95.3	Very high	96.3	Very high	101 Å²	101	83.8 Å²	83.8	84%	0.835	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	40.5	179.2	0	0	0	0	0	112.2	T102	T102-A104 PolarHBondContact O-N 3.3Å; T102-A104 PolarHBondContact OG1-N 3.3Å
105	G	95.3	Very high	96.5	Very high	29 Å²	29	79.4 Å²	79.4	30%	0.299	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	88.5	-163.5	177.8	0	0	0	0	0	114.9	T102	T102-G105 WeakPolarHBondContact CA-O 2.94Å; T102-G105 WeakPolarHBondContact CB-O 3.39Å; T102-G105 PolarHBondContact N-O 3.45Å; T102-G105 PolarHBondContact O-N 2.65Å; T102-G105 PolarHBondContact OG1-O 2.89Å
106	Q	95.4	Very high	96.6	Very high	127 Å²	127	76.2 Å²	76.2	59%	0.593	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.8	-174.7	-71.5	175.1	-8.1	0	0	111.9	Q99	Q99-Q106 VanDerWaalsContact OE1-OE1 3.08Å
107	R	95.5	Very high	96.6	Very high	137 Å²	137	72.8 Å²	72.8	52%	0.517	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.6	170.2	-177.6	169.8	173.9	166.6	-7.3	110	K100 T102 K131	K100-R107 PolarHBondContact N-O 3.32Å; K100-R107 PolarHBondContact O-N 3.44Å; T102-R107 HydrophobicContact CG2-CB 4.11Å; R107-K131 VanDerWaalsContact NH2-CE 3.3Å
108	T	96.1	Very high	96.5	Very high	66 Å²	66	70.3 Å²	70.3	41%	0.405	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	148	179.6	66.4	0	0	0	0	111.6	Q99	Q99-T108 HydrophobicContact CG-CG2 3.86Å
109	R	97.5	Very high	96.4	Very high	113 Å²	113	73 Å²	73	43%	0.426	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.9	168.6	-71.5	-167.8	-71.4	178.3	-2.5	108.5	P97 V98 C129 S130	P97-R109 WeakPolarHBondContact CA-O 3.48Å; V98-R109 HydrophobicContact CG2-CB 4.03Å; V98-R109 WeakPolarHBondContact CG2-O 3.47Å; V98-R109 PolarHBondContact N-O 2.68Å; V98-R109 PolarHBondContact O-N 3.46Å; R109-C129 VanDerWaalsContact CB-SG 3.56Å; R109-S130 WeakPolarHBondContact CA-O 3.07Å; R109-S130 WeakPolarHBondContact CB-O 3.32Å
110	F	97.5	Very high	96.2	Very high	61 Å²	61	72.4 Å²	72.4	27%	0.268	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.7	177.9	-61.1	-81.3	0	0	0	110	I95 P97 C129 S130 K131 V133 A136	I95-F110 HydrophobicContact CG2-CB 4.32Å; I95-F110 HydrophobicContact CG2-CD1 4.3Å; P97-F110 HydrophobicContact CB-CD1 4.26Å; P97-F110 HydrophobicContact CB-CE1 4.14Å; F110-C129 VanDerWaalsContact O-CA 3.28Å; F110-C129 WeakPolarHBondContact O-CA 3.5Å; F110-S130 PolarHBondContact N-O 2.97Å; F110-S130 PolarHBondContact O-N 3.42Å; F110-K131 WeakPolarHBondContact CD2-O 3.36Å; F110-V133 HydrophobicContact CB-CG2 3.99Å; F110-V133 HydrophobicContact CD1-CG2 3.8Å; F110-V133 HydrophobicContact CD2-CG2 3.66Å; F110-V133 HydrophobicContact CE1-CG2 4.16Å; F110-V133 HydrophobicContact CE2-CG2 4.04Å; F110-V133 HydrophobicContact CG-CG2 3.51Å; F110-V133 HydrophobicContact CZ-CG2 4.28Å; F110-A136 WeakPolarHBondContact O-CB 3.49Å
111	K	97.3	Very high	96	Very high	61 Å²	61	65.9 Å²	65.9	27%	0.265	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.3	172.2	-172.6	177.6	-176.8	178.9	0	108.7	I95 M96 V98 F113 V127 K128 C129	I95-K111 WeakPolarHBondContact CA-O 3.47Å; M96-K111 PolarHBondContact N-O 2.84Å; M96-K111 PolarHBondContact O-N 3.25Å; V98-K111 HydrophobicContact CG1-CB 4.31Å; K111-F113 HydrophobicContact CD-CE2 3.84Å; K111-F113 HydrophobicContact CD-CZ 3.81Å; K111-F113 HydrophobicContact CG-CE2 3.96Å; K111-F113 HydrophobicContact CG-CZ 4.29Å; K111-V127 HydrophobicContact CD-CG1 4.22Å; K111-V127 HydrophobicContact CG-CG1 4.03Å; K111-K128 CarbonylContact C-O 3.46Å; K111-K128 WeakPolarHBondContact CA-O 3.34Å; K111-C129 HydrophobicContact CB-CB 4.42Å
112	A	97.6	Very high	95.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.9	175.2	0	0	0	0	0	109.9	V127 K128 A136 I137 A140	A112-V127 WeakPolarHBondContact O-CA 3.08Å; A112-K128 PolarHBondContact N-O 3.3Å; A112-K128 PolarHBondContact O-N 3.11Å; A112-K128 VanDerWaalsContact O-N 3.17Å; A112-A136 HydrophobicContact CB-CB 3.96Å; A112-I137 HydrophobicContact CB-CG1 4.12Å; A112-A140 HydrophobicContact CB-CB 4.25Å
113	F	97.3	Very high	95.9	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.022	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.3	168.3	-64.8	-96	0	0	0	107.9	L93 K94 K111 V127 L219	L93-F113 HydrophobicContact CB-CB 4.24Å; L93-F113 PolarHBondContact N-O 3.2Å; K94-F113 PolarHBondContact O-N 2.84Å; K111-F113 HydrophobicContact CD-CE2 3.84Å; K111-F113 HydrophobicContact CD-CZ 3.81Å; K111-F113 HydrophobicContact CG-CE2 3.96Å; K111-F113 HydrophobicContact CG-CZ 4.29Å; F113-V127 HydrophobicContact CD1-CB 4.33Å; F113-V127 HydrophobicContact CD1-CG1 3.97Å; F113-V127 HydrophobicContact CD1-CG2 3.44Å; F113-V127 VanDerWaalsContact CD1-CG2 3.44Å; F113-V127 HydrophobicContact CE1-CB 4.43Å; F113-V127 HydrophobicContact CE1-CG1 3.75Å; F113-V127 HydrophobicContact CE1-CG2 3.72Å; F113-V127 HydrophobicContact CG-CG2 4.39Å; F113-V127 HydrophobicContact CZ-CG1 4.2Å; F113-L219 HydrophobicContact CG-CD2 4.48Å
114	V	97.4	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.5	-178.5	-179	0	0	0	0	108.4	D90 E91 V92 I116 G126 A140 I141	D90-V114 HydrophobicContact CB-CG1 4.22Å; E91-V114 WeakPolarHBondContact O-CA 3.18Å; V92-V114 HydrophobicContact CG2-CG2 4.21Å; V114-I116 HydrophobicContact CG1-CG1 4.46Å; V114-G126 PolarHBondContact N-O 3.44Å; V114-G126 PolarHBondContact O-N 3.17Å; V114-A140 HydrophobicContact CB-CB 4Å; V114-A140 HydrophobicContact CG2-CB 3.56Å; V114-I141 HydrophobicContact CG1-CG1 3.92Å
115	A	97	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	144.4	168.4	0	0	0	0	0	108.9	D90 E91 L93 G124 L199 M202	D90-A115 WeakPolarHBondContact CA-O 3.41Å; E91-A115 PolarHBondContact N-O 3.08Å; E91-A115 PolarHBondContact O-N 3.45Å; L93-A115 HydrophobicContact CD1-CB 4.17Å; L93-A115 HydrophobicContact CD2-CB 4.36Å; L93-A115 HydrophobicContact CG-CB 4.21Å; A115-G124 WeakPolarHBondContact CA-O 3.34Å; A115-L199 HydrophobicContact CB-CD2 3.59Å; A115-M202 HydrophobicContact CB-CE 4.41Å; A115-M202 HydrophobicContact CB-SD 3.56Å; A115-M202 VanDerWaalsContact CB-SD 3.56Å
116	I	96.8	Very high	96.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.1	173.6	-79.9	179.8	0	0	0	107.9	L88 K89 D90 V114 V123 G124 I141 A144 K145 I148	L88-I116 HydrophobicContact CB-CG2 4.27Å; L88-I116 HydrophobicContact CD1-CG2 4.45Å; L88-I116 HydrophobicContact CD2-CG2 3.58Å; L88-I116 HydrophobicContact CG-CG2 4.3Å; K89-I116 WeakPolarHBondContact O-CA 3.43Å; D90-I116 HydrophobicContact CB-CD1 4.25Å; D90-I116 HydrophobicContact CB-CG1 3.71Å; V114-I116 HydrophobicContact CG1-CG1 4.46Å; I116-V123 CarbonylContact O-C 3.56Å; I116-V123 WeakPolarHBondContact O-CA 3.15Å; I116-G124 PolarHBondContact N-O 3.1Å; I116-G124 PolarHBondContact O-N 3.01Å; I116-I141 HydrophobicContact CD1-CB 4.4Å; I116-I141 HydrophobicContact CD1-CG2 3.85Å; I116-I141 WeakPolarHBondContact CD1-O 3.48Å; I116-A144 HydrophobicContact CB-CB 4.09Å; I116-A144 HydrophobicContact CD1-CB 3.71Å; I116-A144 HydrophobicContact CG1-CB 3.92Å; I116-K145 HydrophobicContact CD1-CG 3.79Å; I116-I148 HydrophobicContact CG2-CD1 4.44Å
117	G	95.9	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	168.1	167.8	0	0	0	0	0	113	K89 H122	K89-G117 PolarHBondContact N-O 3.35Å; K89-G117 PolarHBondContact O-N 2.81Å; K89-G117 VanDerWaalsContact O-N 3.08Å; G117-H122 WeakPolarHBondContact CA-O 3.32Å
118	D	94.2	Very high	96.3	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.134	16%	0.157	C	C	.	.			trans	-106.8	4.6	-176.1	69.7	-17	0	0	0	113.1	L88 N120 G121 H122	L88-D118 HydrophobicContact CD2-CB 4.27Å; D118-N120 PolarHBondContact O-N 3.25Å; D118-N120 VanDerWaalsContact O-N 3.08Å; D118-N120 WeakPolarHBondContact OD1-CA 3.42Å; D118-N120 PolarHBondContact OD1-N 3.14Å; D118-G121 PolarHBondContact OD1-N 3.23Å; D118-H122 PolarHBondContact N-O 3.28Å; D118-H122 WeakPolarHBondContact OD1-CB 3.43Å; D118-H122 IonicContact OD1-CG 3.72Å; D118-H122 PolarHBondContact OD1-N 3.41Å; D118-H122 IonicContact OD1-ND1 3.77Å; D118-H122 IonicContact OD2-CE1 2.9Å; D118-H122 IonicContact OD2-CG 2.74Å; D118-H122 IonicContact OD2-ND1 2.81Å; D118-H122 PolarHBondContact OD2-ND1 3.33Å
119	Y	94.2	Very high	96.4	Very high	100 Å²	100	32.1 Å²	32.1	39%	0.392	15%	0.151	S	C	.	.	S	Bend	trans	58.7	13.2	-172.4	-59.6	-98.7	0	0	0	113.7	K89 M201 M202 G204	K89-Y119 HydrophobicContact CB-CE2 4.07Å; K89-Y119 HydrophobicContact CD-CE2 3.65Å; K89-Y119 HydrophobicContact CG-CE2 3.94Å; Y119-M201 WeakPolarHBondContact CD1-O 3.4Å; Y119-M201 HydrophobicContact CE1-CB 4.4Å; Y119-M202 VanDerWaalsContact CA-O 3.28Å; Y119-M202 WeakPolarHBondContact CA-O 3.47Å; Y119-M202 PolarHBondContact N-O 3.41Å; Y119-G204 VanDerWaalsContact O-CA 3.23Å; Y119-G204 WeakPolarHBondContact O-CA 3.18Å
120	N	93	Very high	96.4	Very high	99 Å²	99	27.8 Å²	27.8	53%	0.529	14%	0.138	S	C	.	.	S	Bend	trans	-135.5	36.6	-174.1	-165.1	29.8	0	0	0	112.8	D118 R153	D118-N120 PolarHBondContact O-N 3.25Å; D118-N120 VanDerWaalsContact O-N 3.08Å; D118-N120 WeakPolarHBondContact OD1-CA 3.42Å; D118-N120 PolarHBondContact OD1-N 3.14Å; N120-R153 PolarHBondContact OD1-NH2 3.02Å
121	G	92.7	Very high	96.3	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	16%	0.155	C	C	.	.	S	Bend	trans	94.2	14.3	173.5	0	0	0	0	0	114.6	D118 P150 V151 A203	D118-G121 PolarHBondContact OD1-N 3.23Å; G121-P150 CarbonylContact O-C 3.59Å; G121-P150 WeakPolarHBondContact O-CA 3.45Å; G121-V151 PolarHBondContact O-N 3.39Å; G121-A203 VanDerWaalsContact CA-O 3.27Å; G121-A203 WeakPolarHBondContact CA-O 3.41Å; G121-A203 PolarHBondContact N-O 3.24Å; G121-A203 VanDerWaalsContact N-O 3.15Å
122	H	95.7	Very high	96.2	Very high	16 Å²	16	34.7 Å²	34.7	7%	0.074	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.9	168.5	-57.8	94.4	0	0	0	110.6	Y68 L84 G117 D118 I148	Y68-H122 AromaticContact CE2-CD2 3.92Å; Y68-H122 AromaticContact CE2-NE2 3.94Å; L84-H122 HydrophobicContact CD1-CB 4.14Å; G117-H122 WeakPolarHBondContact CA-O 3.32Å; D118-H122 PolarHBondContact N-O 3.28Å; D118-H122 WeakPolarHBondContact OD1-CB 3.43Å; D118-H122 IonicContact OD1-CG 3.72Å; D118-H122 PolarHBondContact OD1-N 3.41Å; D118-H122 IonicContact OD1-ND1 3.77Å; D118-H122 IonicContact OD2-CE1 2.9Å; D118-H122 IonicContact OD2-CG 2.74Å; D118-H122 IonicContact OD2-ND1 2.81Å; D118-H122 PolarHBondContact OD2-ND1 3.33Å; H122-I148 HydrophobicContact CB-CD1 3.85Å; H122-I148 HydrophobicContact CB-CG1 4.01Å
123	V	96.9	Very high	96.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.2	174.4	71.5	0	0	0	0	110.5	I116 I148 V149 V151 L199 M202 A203 F227 I230	I116-V123 CarbonylContact O-C 3.56Å; I116-V123 WeakPolarHBondContact O-CA 3.15Å; V123-I148 WeakPolarHBondContact O-CA 3.35Å; V123-V149 PolarHBondContact N-O 3.17Å; V123-V149 PolarHBondContact O-N 3.3Å; V123-V151 HydrophobicContact CB-CG2 4.43Å; V123-V151 HydrophobicContact CG1-CG2 3.73Å; V123-L199 HydrophobicContact CG2-CD2 4.18Å; V123-M202 HydrophobicContact CG2-CB 4.21Å; V123-A203 HydrophobicContact CB-CB 4.27Å; V123-A203 HydrophobicContact CG1-CB 4.37Å; V123-F227 HydrophobicContact CG1-CD2 4.18Å; V123-F227 HydrophobicContact CG1-CE2 4.01Å; V123-F227 WeakPolarHBondContact O-CE2 3.23Å; V123-I230 HydrophobicContact CG1-CD1 4.37Å; V123-I230 HydrophobicContact CG1-CG2 3.76Å
124	G	96.9	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.2	177.1	0	0	0	0	0	110.7	A115 I116 A144	A115-G124 WeakPolarHBondContact CA-O 3.34Å; I116-G124 PolarHBondContact N-O 3.1Å; I116-G124 PolarHBondContact O-N 3.01Å; G124-A144 WeakPolarHBondContact CA-O 3.41Å
125	L	97.3	Very high	96.1	Very high	18 Å²	18	41.8 Å²	41.8	9%	0.094	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.1	175.9	-178.7	69.4	0	0	0	109.9	L93 S147 A223 K224 F227	L93-L125 HydrophobicContact CD1-CD1 4.07Å; L125-S147 PolarHBondContact N-OG 2.81Å; L125-S147 PolarHBondContact O-OG 3.07Å; L125-A223 HydrophobicContact CD1-CB 4.44Å; L125-A223 HydrophobicContact CD2-CB 4.35Å; L125-K224 HydrophobicContact CD2-CB 4.43Å; L125-K224 HydrophobicContact CD2-CG 3.8Å; L125-F227 HydrophobicContact CB-CB 4.38Å; L125-F227 HydrophobicContact CB-CD1 4.41Å; L125-F227 HydrophobicContact CB-CD2 3.74Å; L125-F227 HydrophobicContact CB-CE2 4.11Å; L125-F227 HydrophobicContact CB-CG 3.91Å; L125-F227 HydrophobicContact CD2-CB 3.97Å; L125-F227 HydrophobicContact CD2-CG 4.29Å
126	G	97.1	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.9	-179.2	0	0	0	0	0	111.9	V114 A140	V114-G126 PolarHBondContact N-O 3.44Å; V114-G126 PolarHBondContact O-N 3.17Å; G126-A140 WeakPolarHBondContact CA-O 3.43Å
127	V	97.3	Very high	96.1	Very high	38 Å²	38	43.4 Å²	43.4	23%	0.23	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	115.5	175.8	-173.4	0	0	0	0	109.4	K111 A112 F113 L143	K111-V127 HydrophobicContact CD-CG1 4.22Å; K111-V127 HydrophobicContact CG-CG1 4.03Å; A112-V127 WeakPolarHBondContact O-CA 3.08Å; F113-V127 HydrophobicContact CD1-CB 4.33Å; F113-V127 HydrophobicContact CD1-CG1 3.97Å; F113-V127 HydrophobicContact CD1-CG2 3.44Å; F113-V127 VanDerWaalsContact CD1-CG2 3.44Å; F113-V127 HydrophobicContact CE1-CB 4.43Å; F113-V127 HydrophobicContact CE1-CG1 3.75Å; F113-V127 HydrophobicContact CE1-CG2 3.72Å; F113-V127 HydrophobicContact CG-CG2 4.39Å; F113-V127 HydrophobicContact CZ-CG1 4.2Å; V127-L143 WeakPolarHBondContact O-CD1 3.39Å
128	K	97.8	Very high	96.1	Very high	89 Å²	89	51 Å²	51	39%	0.387	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.4	177.7	-167	72.2	179.2	-172.8	0	110.8	K111 A112 A140 L143	K111-K128 CarbonylContact C-O 3.46Å; K111-K128 WeakPolarHBondContact CA-O 3.34Å; A112-K128 PolarHBondContact N-O 3.3Å; A112-K128 PolarHBondContact O-N 3.11Å; A112-K128 VanDerWaalsContact O-N 3.17Å; K128-A140 HydrophobicContact CB-CB 3.91Å; K128-L143 HydrophobicContact CB-CD1 4.22Å; K128-L143 HydrophobicContact CD-CD1 3.71Å
129	C	96.8	Very high	96.3	Very high	40 Å²	40	50.5 Å²	50.5	27%	0.27	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124	174	-176.8	0	0	0	0	109.9	R109 F110 K111	R109-C129 VanDerWaalsContact CB-SG 3.56Å; F110-C129 VanDerWaalsContact O-CA 3.28Å; F110-C129 WeakPolarHBondContact O-CA 3.5Å; K111-C129 HydrophobicContact CB-CB 4.42Å
130	S	97.1	Very high	96.4	Very high	23 Å²	23	45.8 Å²	45.8	16%	0.161	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	169.2	-178.8	-60.5	0	0	0	0	110.8	R109 F110 E132 T135	R109-S130 WeakPolarHBondContact CA-O 3.07Å; R109-S130 WeakPolarHBondContact CB-O 3.32Å; F110-S130 PolarHBondContact N-O 2.97Å; F110-S130 PolarHBondContact O-N 3.42Å; S130-E132 VanDerWaalsContact C-N 3.33Å; S130-T135 VanDerWaalsContact CB-OG1 3.29Å; S130-T135 WeakPolarHBondContact CB-OG1 3.49Å
131	K	95.7	Very high	96.6	Very high	140 Å²	140	42.6 Å²	42.6	61%	0.609	22%	0.221	S	C	*	.	S	Bend	trans	-68.5	-34.5	176.2	-67.7	-178.7	-179.5	177.1	0	112.1	R107 F110	R107-K131 VanDerWaalsContact NH2-CE 3.3Å; F110-K131 WeakPolarHBondContact CD2-O 3.36Å
132	E	95.8	Very high	96.8	Very high	126 Å²	126	46.1 Å²	46.1	59%	0.589	24%	0.237	S	C	*	.	S	Bend	trans	-112.1	149.8	-179.6	-63.1	170.4	-172.4	0	0	110.5	S130 T135 A136	S130-E132 VanDerWaalsContact C-N 3.33Å; E132-T135 HydrophobicContact CB-CG2 4.39Å; E132-T135 PolarHBondContact O-OG1 2.74Å; E132-A136 PolarHBondContact O-N 3.11Å; E132-A136 VanDerWaalsContact O-N 3.11Å
133	V	96.7	Very high	96.8	Very high	53 Å²	53	48.3 Å²	48.3	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-48.1	-178.5	178	0	0	0	0	111.3	I95 F110 T135 A136 I137	I95-V133 HydrophobicContact CD1-CG1 3.76Å; I95-V133 HydrophobicContact CG2-CG1 4.29Å; F110-V133 HydrophobicContact CB-CG2 3.99Å; F110-V133 HydrophobicContact CD1-CG2 3.8Å; F110-V133 HydrophobicContact CD2-CG2 3.66Å; F110-V133 HydrophobicContact CE1-CG2 4.16Å; F110-V133 HydrophobicContact CE2-CG2 4.04Å; F110-V133 HydrophobicContact CG-CG2 3.51Å; F110-V133 HydrophobicContact CZ-CG2 4.28Å; V133-T135 VanDerWaalsContact C-N 3.31Å; V133-T135 PolarHBondContact O-N 3.08Å; V133-A136 WeakPolarHBondContact O-CB 3.3Å; V133-A136 PolarHBondContact O-N 2.63Å; V133-A136 VanDerWaalsContact O-N 3.09Å; V133-I137 HydrophobicContact CG1-CD1 3.81Å; V133-I137 HydrophobicContact CG1-CG1 4.38Å; V133-I137 WeakPolarHBondContact O-CG1 3.48Å; V133-I137 PolarHBondContact O-N 2.95Å
134	A	96.1	Very high	96.9	Very high	46 Å²	46	48.3 Å²	48.3	38%	0.38	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-39.6	-177.7	0	0	0	0	0	112.3	I137 R138	A134-I137 PolarHBondContact O-N 2.84Å; A134-R138 WeakPolarHBondContact O-CG 3.45Å; A134-R138 PolarHBondContact O-N 3.04Å
135	T	96.8	Very high	96.8	Very high	55 Å²	55	50 Å²	50	34%	0.337	26%	0.257	S	S	.	.	H	α-helix	trans	-71.7	-31.4	176.5	58.6	0	0	0	0	112.4	S130 E132 V133 G139	S130-T135 VanDerWaalsContact CB-OG1 3.29Å; S130-T135 WeakPolarHBondContact CB-OG1 3.49Å; E132-T135 HydrophobicContact CB-CG2 4.39Å; E132-T135 PolarHBondContact O-OG1 2.74Å; V133-T135 VanDerWaalsContact C-N 3.31Å; V133-T135 PolarHBondContact O-N 3.08Å; T135-G139 PolarHBondContact O-N 2.79Å; T135-G139 VanDerWaalsContact O-N 3.12Å
136	A	97.4	Very high	96.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-44.1	172.1	0	0	0	0	0	111.4	F110 A112 E132 V133 G139 A140	F110-A136 WeakPolarHBondContact O-CB 3.49Å; A112-A136 HydrophobicContact CB-CB 3.96Å; E132-A136 PolarHBondContact O-N 3.11Å; E132-A136 VanDerWaalsContact O-N 3.11Å; V133-A136 WeakPolarHBondContact O-CB 3.3Å; V133-A136 PolarHBondContact O-N 2.63Å; V133-A136 VanDerWaalsContact O-N 3.09Å; A136-G139 PolarHBondContact O-N 2.76Å; A136-A140 VanDerWaalsContact O-CB 3.26Å; A136-A140 WeakPolarHBondContact O-CB 3.44Å; A136-A140 PolarHBondContact O-N 3.3Å
137	I	97.2	Very high	96.7	Very high	38 Å²	38	53.3 Å²	53.3	20%	0.195	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-52.3	179.5	-65.4	168.1	0	0	0	110.5	V92 I95 A112 V133 A134 G139 A140 I141	V92-I137 HydrophobicContact CG2-CG2 4.11Å; I95-I137 HydrophobicContact CD1-CD1 4.09Å; A112-I137 HydrophobicContact CB-CG1 4.12Å; V133-I137 HydrophobicContact CG1-CD1 3.81Å; V133-I137 HydrophobicContact CG1-CG1 4.38Å; V133-I137 WeakPolarHBondContact O-CG1 3.48Å; V133-I137 PolarHBondContact O-N 2.95Å; A134-I137 PolarHBondContact O-N 2.84Å; I137-G139 VanDerWaalsContact C-N 3.3Å; I137-G139 PolarHBondContact O-N 2.74Å; I137-A140 WeakPolarHBondContact O-CA 3.37Å; I137-A140 WeakPolarHBondContact O-CB 3.43Å; I137-A140 PolarHBondContact O-N 2.87Å; I137-I141 HydrophobicContact CG2-CD1 3.92Å; I137-I141 HydrophobicContact CG2-CG1 4.45Å; I137-I141 WeakPolarHBondContact O-CG1 3.5Å; I137-I141 PolarHBondContact O-N 3.04Å
138	R	96.6	Very high	96.6	Very high	158 Å²	158	51.8 Å²	51.8	60%	0.596	27%	0.268	S	S	*	.	H	α-helix	trans	-56.1	-44.7	178	-68.8	-178.4	-168.2	112.2	0	112.2	A134 A140 I141 I142	A134-R138 WeakPolarHBondContact O-CG 3.45Å; A134-R138 PolarHBondContact O-N 3.04Å; R138-A140 VanDerWaalsContact C-N 3.33Å; R138-A140 PolarHBondContact O-N 2.45Å; R138-I141 PolarHBondContact O-N 3.1Å; R138-I142 WeakPolarHBondContact O-CG1 3.37Å; R138-I142 PolarHBondContact O-N 2.71Å; R138-I142 VanDerWaalsContact O-N 3.17Å
139	G	96.8	Very high	96.5	Very high	16 Å²	16	49.4 Å²	49.4	17%	0.165	26%	0.261	C	S	.	.	H	α-helix	trans	-68.7	-29.4	176.9	0	0	0	0	0	113.7	T135 A136 I137 L143	T135-G139 PolarHBondContact O-N 2.79Å; T135-G139 VanDerWaalsContact O-N 3.12Å; A136-G139 PolarHBondContact O-N 2.76Å; I137-G139 VanDerWaalsContact C-N 3.3Å; I137-G139 PolarHBondContact O-N 2.74Å; G139-L143 WeakPolarHBondContact O-CG 3.46Å; G139-L143 PolarHBondContact O-N 2.99Å; G139-L143 VanDerWaalsContact O-N 3.14Å
140	A	97.5	Very high	96.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-73.1	-38.3	174.7	0	0	0	0	0	111.6	A112 V114 G126 K128 A136 I137 R138 L143 A144	A112-A140 HydrophobicContact CB-CB 4.25Å; V114-A140 HydrophobicContact CB-CB 4Å; V114-A140 HydrophobicContact CG2-CB 3.56Å; G126-A140 WeakPolarHBondContact CA-O 3.43Å; K128-A140 HydrophobicContact CB-CB 3.91Å; A136-A140 VanDerWaalsContact O-CB 3.26Å; A136-A140 WeakPolarHBondContact O-CB 3.44Å; A136-A140 PolarHBondContact O-N 3.3Å; I137-A140 WeakPolarHBondContact O-CA 3.37Å; I137-A140 WeakPolarHBondContact O-CB 3.43Å; I137-A140 PolarHBondContact O-N 2.87Å; R138-A140 VanDerWaalsContact C-N 3.33Å; R138-A140 PolarHBondContact O-N 2.45Å; A140-L143 PolarHBondContact O-N 3.06Å; A140-A144 WeakPolarHBondContact O-CB 3.26Å; A140-A144 PolarHBondContact O-N 2.87Å
141	I	96.8	Very high	96.4	Very high	33 Å²	33	48 Å²	48	17%	0.169	25%	0.25	C	C	.	.	H	α-helix	trans	-57.9	-49.9	172.9	-69.6	167	0	0	0	110.1	D90 V114 I116 I137 R138 L143 A144 K145	D90-I141 HydrophobicContact CB-CG1 4.36Å; V114-I141 HydrophobicContact CG1-CG1 3.92Å; I116-I141 HydrophobicContact CD1-CB 4.4Å; I116-I141 HydrophobicContact CD1-CG2 3.85Å; I116-I141 WeakPolarHBondContact CD1-O 3.48Å; I137-I141 HydrophobicContact CG2-CD1 3.92Å; I137-I141 HydrophobicContact CG2-CG1 4.45Å; I137-I141 WeakPolarHBondContact O-CG1 3.5Å; I137-I141 PolarHBondContact O-N 3.04Å; R138-I141 PolarHBondContact O-N 3.1Å; I141-L143 VanDerWaalsContact C-N 3.34Å; I141-L143 PolarHBondContact O-N 2.99Å; I141-A144 WeakPolarHBondContact O-CB 3.47Å; I141-A144 PolarHBondContact O-N 3.35Å; I141-A144 VanDerWaalsContact O-N 3.13Å; I141-K145 WeakPolarHBondContact O-CG 3.24Å; I141-K145 PolarHBondContact O-N 3.12Å
142	I	96.5	Very high	96.4	Very high	79 Å²	79	42.4 Å²	42.4	41%	0.405	23%	0.225	S	C	.	.	H	α-helix	trans	-58.3	-46.7	177.6	-66.6	166.5	0	0	0	110.9	R138 A144 K145 L146	R138-I142 WeakPolarHBondContact O-CG1 3.37Å; R138-I142 PolarHBondContact O-N 2.71Å; R138-I142 VanDerWaalsContact O-N 3.17Å; I142-A144 VanDerWaalsContact C-N 3.32Å; I142-A144 PolarHBondContact O-N 2.88Å; I142-K145 PolarHBondContact O-N 3.19Å; I142-L146 HydrophobicContact CG2-CD1 4.41Å; I142-L146 WeakPolarHBondContact O-CG 3.18Å; I142-L146 PolarHBondContact O-N 2.87Å; I142-L146 VanDerWaalsContact O-N 3.11Å
143	L	96.9	Very high	96.3	Very high	62 Å²	62	39.7 Å²	39.7	33%	0.325	21%	0.21	S	C	.	.	H	α-helix	trans	-64.9	-33.9	177.6	-74.9	179.7	0	0	0	113.2	V127 K128 G139 A140 I141 L146 S147	V127-L143 WeakPolarHBondContact O-CD1 3.39Å; K128-L143 HydrophobicContact CB-CD1 4.22Å; K128-L143 HydrophobicContact CD-CD1 3.71Å; G139-L143 WeakPolarHBondContact O-CG 3.46Å; G139-L143 PolarHBondContact O-N 2.99Å; G139-L143 VanDerWaalsContact O-N 3.14Å; A140-L143 PolarHBondContact O-N 3.06Å; I141-L143 VanDerWaalsContact C-N 3.34Å; I141-L143 PolarHBondContact O-N 2.99Å; L143-L146 HydrophobicContact CD2-CD1 4.37Å; L143-L146 PolarHBondContact O-N 3.29Å; L143-S147 WeakPolarHBondContact O-CB 3.28Å; L143-S147 PolarHBondContact O-N 3.28Å; L143-S147 VanDerWaalsContact O-N 3.1Å; L143-S147 PolarHBondContact O-OG 3Å; L143-S147 VanDerWaalsContact O-OG 3.07Å
144	A	96.9	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-38.7	176.4	0	0	0	0	0	111.5	I116 G124 A140 I141 I142 S147 I148	I116-A144 HydrophobicContact CB-CB 4.09Å; I116-A144 HydrophobicContact CD1-CB 3.71Å; I116-A144 HydrophobicContact CG1-CB 3.92Å; G124-A144 WeakPolarHBondContact CA-O 3.41Å; A140-A144 WeakPolarHBondContact O-CB 3.26Å; A140-A144 PolarHBondContact O-N 2.87Å; I141-A144 WeakPolarHBondContact O-CB 3.47Å; I141-A144 PolarHBondContact O-N 3.35Å; I141-A144 VanDerWaalsContact O-N 3.13Å; I142-A144 VanDerWaalsContact C-N 3.32Å; I142-A144 PolarHBondContact O-N 2.88Å; A144-S147 CarbonylContact O-C 3.55Å; A144-S147 PolarHBondContact O-N 3.37Å; A144-S147 PolarHBondContact O-OG 3.13Å; A144-I148 PolarHBondContact O-N 2.83Å
145	K	96.3	Very high	96.1	Very high	36 Å²	36	38.6 Å²	38.6	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-47.3	172.7	-67.5	177.9	-179.7	-176.1	0	110.9	I80 D81 I116 I141 I142 S147 I148	I80-K145 HydrophobicContact CB-CB 4.29Å; I80-K145 WeakPolarHBondContact CG1-O 3.26Å; I80-K145 HydrophobicContact CG2-CB 4.22Å; I80-K145 HydrophobicContact CG2-CG 4.41Å; D81-K145 WeakPolarHBondContact OD1-CD 3.23Å; D81-K145 WeakPolarHBondContact OD1-CE 3.3Å; D81-K145 IonicContact OD1-NZ 3.6Å; D81-K145 PolarHBondContact OD1-NZ 3.48Å; D81-K145 IonicContact OD2-NZ 3.66Å; D81-K145 PolarHBondContact OD2-NZ 3.21Å; I116-K145 HydrophobicContact CD1-CG 3.79Å; I141-K145 WeakPolarHBondContact O-CG 3.24Å; I141-K145 PolarHBondContact O-N 3.12Å; I142-K145 PolarHBondContact O-N 3.19Å; K145-S147 PolarHBondContact O-N 3.39Å; K145-I148 WeakPolarHBondContact O-CB 3.29Å; K145-I148 WeakPolarHBondContact O-CG2 3.48Å; K145-I148 PolarHBondContact O-N 3.22Å
146	L	96.1	Very high	95.8	Very high	50 Å²	50	43.6 Å²	43.6	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-26.8	178.6	-65.9	176.6	0	0	0	113.7	I74 K75 E76 I142 L143	I74-L146 HydrophobicContact CG2-CD2 4.16Å; K75-L146 VanDerWaalsContact C-CD2 3.43Å; E76-L146 VanDerWaalsContact C-CD2 3.47Å; I142-L146 HydrophobicContact CG2-CD1 4.41Å; I142-L146 WeakPolarHBondContact O-CG 3.18Å; I142-L146 PolarHBondContact O-N 2.87Å; I142-L146 VanDerWaalsContact O-N 3.11Å; L143-L146 HydrophobicContact CD2-CD1 4.37Å; L143-L146 PolarHBondContact O-N 3.29Å
147	S	95.8	Very high	95.5	Very high	38 Å²	38	45.9 Å²	45.9	27%	0.266	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	19	180	68.3	0	0	0	0	113.5	L125 L143 A144 K145 V149 F227	L125-S147 PolarHBondContact N-OG 2.81Å; L125-S147 PolarHBondContact O-OG 3.07Å; L143-S147 WeakPolarHBondContact O-CB 3.28Å; L143-S147 PolarHBondContact O-N 3.28Å; L143-S147 VanDerWaalsContact O-N 3.1Å; L143-S147 PolarHBondContact O-OG 3Å; L143-S147 VanDerWaalsContact O-OG 3.07Å; A144-S147 CarbonylContact O-C 3.55Å; A144-S147 PolarHBondContact O-N 3.37Å; A144-S147 PolarHBondContact O-OG 3.13Å; K145-S147 PolarHBondContact O-N 3.39Å; S147-V149 PolarHBondContact O-N 3.14Å; S147-F227 VanDerWaalsContact O-CZ 3.3Å; S147-F227 WeakPolarHBondContact O-CZ 3.49Å
148	I	94.9	Very high	95	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	25%	0.254	C	S	.	.			trans	-72	128.7	-178.6	-158.7	168.3	0	0	0	111.1	Y68 I80 L84 L88 I116 H122 V123 A144 K145	Y68-I148 WeakPolarHBondContact OH-CG2 3.46Å; Y68-I148 PolarHBondContact OH-O 3.4Å; I80-I148 HydrophobicContact CD1-CG2 3.45Å; I80-I148 VanDerWaalsContact CD1-CG2 3.45Å; I80-I148 HydrophobicContact CG1-CG2 3.88Å; I80-I148 HydrophobicContact CG2-CD1 4.3Å; I80-I148 HydrophobicContact CG2-CG2 4.25Å; L84-I148 HydrophobicContact CD1-CD1 3.93Å; L88-I148 HydrophobicContact CD2-CD1 3.67Å; I116-I148 HydrophobicContact CG2-CD1 4.44Å; H122-I148 HydrophobicContact CB-CD1 3.85Å; H122-I148 HydrophobicContact CB-CG1 4.01Å; V123-I148 WeakPolarHBondContact O-CA 3.35Å; A144-I148 PolarHBondContact O-N 2.83Å; K145-I148 WeakPolarHBondContact O-CB 3.29Å; K145-I148 WeakPolarHBondContact O-CG2 3.48Å; K145-I148 PolarHBondContact O-N 3.22Å
149	V	95.1	Very high	94.5	Very high	39 Å²	39	50.7 Å²	50.7	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.9	-173.4	175.5	0	0	0	0	109	V123 S147 F227	V123-V149 PolarHBondContact N-O 3.17Å; V123-V149 PolarHBondContact O-N 3.3Å; S147-V149 PolarHBondContact O-N 3.14Å; V149-F227 HydrophobicContact CB-CZ 4.2Å; V149-F227 HydrophobicContact CG2-CE1 4.36Å; V149-F227 HydrophobicContact CG2-CZ 3.77Å
150	P	96.1	Very high	94.1	Very high	27 Å²	27	55.6 Å²	55.6	18%	0.175	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	146.6	175.2	32.5	-36	0	0	0	110.4	Y68 G121 Y234	Y68-P150 HydrophobicContact CD1-CG 4.4Å; Y68-P150 HydrophobicContact CD2-CB 3.92Å; Y68-P150 HydrophobicContact CD2-CG 3.66Å; Y68-P150 HydrophobicContact CE2-CB 3.84Å; Y68-P150 HydrophobicContact CE2-CG 3.86Å; Y68-P150 HydrophobicContact CG-CG 3.95Å; G121-P150 CarbonylContact O-C 3.59Å; G121-P150 WeakPolarHBondContact O-CA 3.45Å; P150-Y234 HydrophobicContact CB-CD2 4.27Å; P150-Y234 HydrophobicContact CB-CE2 3.77Å; P150-Y234 HydrophobicContact CG-CD2 4.12Å; P150-Y234 HydrophobicContact CG-CE2 4.09Å; P150-Y234 WeakPolarHBondContact O-CD2 3.15Å
151	V	96.1	Very high	93.7	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.03	31%	0.309	C	S	.	.			trans	-115	121.7	-178	-175.3	0	0	0	0	109.9	G121 V123 R153 A203 I205 I230	G121-V151 PolarHBondContact O-N 3.39Å; V123-V151 HydrophobicContact CB-CG2 4.43Å; V123-V151 HydrophobicContact CG1-CG2 3.73Å; V151-R153 PolarHBondContact O-N 2.88Å; V151-A203 HydrophobicContact CB-CB 4.36Å; V151-A203 HydrophobicContact CG1-CB 4.19Å; V151-A203 HydrophobicContact CG2-CB 3.87Å; V151-I205 HydrophobicContact CG1-CD1 4.06Å; V151-I205 HydrophobicContact CG1-CG1 4.47Å; V151-I230 HydrophobicContact CB-CG2 3.99Å; V151-I230 HydrophobicContact CG1-CG2 3.65Å; V151-I230 HydrophobicContact CG2-CG2 3.25Å
152	R	95.3	Very high	93.4	Very high	23 Å²	23	64.9 Å²	64.9	9%	0.087	34%	0.336	C	S	.	.			trans	-81.3	120	176.3	-166.9	176.3	174.4	-159.7	-1.5	108.8	P167 T233 Y234 T238 D240 L241	R152-P167 HydrophobicContact CB-CG 4.35Å; R152-P167 HydrophobicContact CG-CG 4.15Å; R152-P167 WeakPolarHBondContact O-CD 3.35Å; R152-T233 PolarHBondContact N-OG1 2.89Å; R152-T233 VanDerWaalsContact N-OG1 3.11Å; R152-Y234 HydrophobicContact CB-CD1 3.93Å; R152-Y234 HydrophobicContact CB-CD2 3.76Å; R152-Y234 HydrophobicContact CB-CE1 3.76Å; R152-Y234 HydrophobicContact CB-CE2 3.62Å; R152-Y234 HydrophobicContact CB-CG 3.91Å; R152-Y234 HydrophobicContact CG-CD1 4.2Å; R152-Y234 HydrophobicContact CG-CE1 3.84Å; R152-T238 PolarHBondContact NH1-OG1 2.79Å; R152-T238 PolarHBondContact NH2-OG1 3.46Å; R152-D240 IonicContact CZ-OD2 3.99Å; R152-D240 IonicContact NH2-OD1 2.62Å; R152-D240 PolarHBondContact NH2-OD1 3.28Å; R152-D240 IonicContact NH2-OD2 2.63Å; R152-D240 PolarHBondContact NH2-OD2 3Å; R152-L241 VanDerWaalsContact NH1-CD1 3.27Å
153	R	95.3	Very high	93.4	Very high	70 Å²	70	63.2 Å²	63.2	26%	0.264	33%	0.331	S	S	.	.			trans	-100.4	151.7	171.7	-63.2	179.3	-68	-177.8	-5.9	109.7	N120 V151 P163 T165 G204 I205	N120-R153 PolarHBondContact OD1-NH2 3.02Å; V151-R153 PolarHBondContact O-N 2.88Å; R153-P163 HydrophobicContact CB-CB 3.64Å; R153-T165 CarbonylContact C-O 3.52Å; R153-T165 WeakPolarHBondContact CA-O 3.48Å; R153-G204 WeakPolarHBondContact CD-O 3.45Å; R153-G204 PolarHBondContact NH1-O 3.3Å; R153-I205 HydrophobicContact CG-CG1 4.33Å
154	G	93.5	Very high	93.2	Very high	8 Å²	8	60.5 Å²	60.5	8%	0.082	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-145.2	-160.4	-178.3	0	0	0	0	0	112.2	P163 H164 T165	G154-P163 CarbonylContact O-C 3.57Å; G154-P163 WeakPolarHBondContact O-CA 3.48Å; G154-H164 PolarHBondContact O-N 3.31Å; G154-T165 PolarHBondContact N-O 3.49Å; G154-T165 PolarHBondContact O-N 3.12Å
155	Y	93.8	Very high	93.2	Very high	67 Å²	67	60.5 Å²	60.5	26%	0.263	32%	0.316	S	S	.	.			trans	-122.6	150	-177.3	-56.6	-89.2	0	0	0	109.1	K159 G161 P163	Y155-K159 HydrophobicContact CD1-CB 4.45Å; Y155-K159 HydrophobicContact CD2-CB 4.06Å; Y155-K159 HydrophobicContact CD2-CD 4.48Å; Y155-K159 HydrophobicContact CD2-CG 3.79Å; Y155-K159 HydrophobicContact CE2-CB 4.14Å; Y155-K159 HydrophobicContact CE2-CG 4.23Å; Y155-K159 HydrophobicContact CG-CB 4.23Å; Y155-K159 HydrophobicContact CG-CG 4.1Å; Y155-G161 PolarHBondContact OH-O 3.2Å; Y155-P163 HydrophobicContact CE2-CB 4.44Å; Y155-P163 HydrophobicContact CE2-CG 4.06Å; Y155-P163 WeakPolarHBondContact OH-CD 3.44Å
156	W	91.7	Very high	93.1	Very high	161 Å²	161	58.8 Å²	58.8	61%	0.61	31%	0.309	S	S	*	.	S	Bend	trans	-75.8	-39.7	174.4	180	69	0	0	0	112.7	T165 A184 P185	W156-T165 HydrophobicContact CB-CG2 4.13Å; W156-A184 WeakPolarHBondContact CB-O 3.45Å; W156-P185 HydrophobicContact CD2-CB 3.93Å; W156-P185 HydrophobicContact CD2-CG 4.46Å; W156-P185 HydrophobicContact CE3-CB 3.65Å; W156-P185 HydrophobicContact CE3-CG 4.49Å; W156-P185 HydrophobicContact CH2-CB 4.38Å; W156-P185 HydrophobicContact CZ3-CB 3.88Å
157	G	89.5	Confident	93.1	Very high	48 Å²	48	58 Å²	58	50%	0.495	31%	0.307	S	S	.	.	S	Bend	trans	-146.7	-101.4	-179.8	0	0	0	0	0	110.5	K159	G157-K159 PolarHBondContact O-N 2.78Å
158	N	87.9	Confident	93	Very high	135 Å²	135	57.1 Å²	57.1	72%	0.722	30%	0.3	S	S	*	.	S	Bend	trans	-60.4	131.8	178.5	-71.3	-2.1	0	0	0	111.7	I160	N158-I160 HydrophobicContact CB-CD1 3.77Å; N158-I160 HydrophobicContact CB-CG1 4Å; N158-I160 PolarHBondContact O-N 2.89Å
159	K	86.6	Confident	93	Very high	162 Å²	162	62.8 Å²	62.8	70%	0.704	33%	0.325	S	S	*	.			trans	-81.6	58.2	-179.2	-60	-177.5	-177.5	178.6	0	111.6	Y155 G157	Y155-K159 HydrophobicContact CD1-CB 4.45Å; Y155-K159 HydrophobicContact CD2-CB 4.06Å; Y155-K159 HydrophobicContact CD2-CD 4.48Å; Y155-K159 HydrophobicContact CD2-CG 3.79Å; Y155-K159 HydrophobicContact CE2-CB 4.14Å; Y155-K159 HydrophobicContact CE2-CG 4.23Å; Y155-K159 HydrophobicContact CG-CB 4.23Å; Y155-K159 HydrophobicContact CG-CG 4.1Å; G157-K159 PolarHBondContact O-N 2.78Å
160	I	86.9	Confident	93.1	Very high	118 Å²	118	61.2 Å²	61.2	61%	0.605	32%	0.315	S	S	*	.			trans	-104	129.9	-177	-58.7	167.5	0	0	0	109.7	N158 R186	N158-I160 HydrophobicContact CB-CD1 3.77Å; N158-I160 HydrophobicContact CB-CG1 4Å; N158-I160 PolarHBondContact O-N 2.89Å; I160-R186 PolarHBondContact O-NH1 3.41Å
161	G	89.1	Confident	93.1	Very high	58 Å²	58	63.2 Å²	63.2	60%	0.598	33%	0.327	S	S	*	.	S	Bend	trans	74.5	-150.6	178.3	0	0	0	0	0	113	Y155	Y155-G161 PolarHBondContact OH-O 3.2Å
162	K	92.1	Very high	93.2	Very high	171 Å²	171	63 Å²	63	74%	0.743	33%	0.326	S	S	*	.	S	Bend	trans	-81.3	147.8	179.4	-63.9	-179.3	-178.8	179	0	111.4	H164 R186	K162-H164 PolarHBondContact O-N 3Å; K162-R186 PolarHBondContact O-NH1 2.82Å
163	P	94.8	Very high	93.2	Very high	44 Å²	44	70.3 Å²	70.3	29%	0.286	35%	0.353	S	S	.	.			trans	-56.6	135.2	170.3	-21.1	32	0	0	0	111	R153 G154 Y155	R153-P163 HydrophobicContact CB-CB 3.64Å; G154-P163 CarbonylContact O-C 3.57Å; G154-P163 WeakPolarHBondContact O-CA 3.48Å; Y155-P163 HydrophobicContact CE2-CB 4.44Å; Y155-P163 HydrophobicContact CE2-CG 4.06Å; Y155-P163 WeakPolarHBondContact OH-CD 3.44Å
164	H	94.6	Very high	93.3	Very high	5 Å²	5	68.2 Å²	68.2	2%	0.023	35%	0.349	C	S	.	.			trans	-132.8	-19.8	-169.2	70.7	97.6	0	0	0	113.9	G154 K162 A184 R186 D206 D207	G154-H164 PolarHBondContact O-N 3.31Å; K162-H164 PolarHBondContact O-N 3Å; H164-A184 PolarHBondContact CE1-O 3.27Å; H164-R186 VanDerWaalsContact CE1-CG 3.42Å; H164-R186 WeakPolarHBondContact CE1-CG 3.39Å; H164-R186 WeakPolarHBondContact NE2-CG 3.36Å; H164-D206 HydrophobicContact CB-CB 4.33Å; H164-D206 PolarHBondContact O-N 3.17Å; H164-D207 IonicContact CE1-OD2 2.71Å; H164-D207 IonicContact CG-OD2 3.3Å; H164-D207 IonicContact ND1-OD2 2.71Å; H164-D207 PolarHBondContact ND1-OD2 3.09Å; H164-D207 PolarHBondContact O-N 3.4Å
165	T	95.7	Very high	93.4	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-127.4	-180	-176.8	-166.1	0	0	0	0	111.5	R153 G154 W156 P183 A184 D207	R153-T165 CarbonylContact C-O 3.52Å; R153-T165 WeakPolarHBondContact CA-O 3.48Å; G154-T165 PolarHBondContact N-O 3.49Å; G154-T165 PolarHBondContact O-N 3.12Å; W156-T165 HydrophobicContact CB-CG2 4.13Å; T165-P183 HydrophobicContact CG2-CB 4.08Å; T165-P183 WeakPolarHBondContact OG1-CA 3.42Å; T165-A184 PolarHBondContact OG1-N 3.26Å; T165-A184 VanDerWaalsContact OG1-N 3.09Å; T165-D207 WeakPolarHBondContact CA-O 3.46Å; T165-D207 WeakPolarHBondContact CB-O 3.18Å; T165-D207 PolarHBondContact OG1-O 2.88Å
166	V	95.2	Very high	93.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.384	C	S	.	.			trans	-71.9	143.2	173.3	-68.7	0	0	0	0	110.8	C168 L181 P183 I205	V166-C168 PolarHBondContact O-N 3.11Å; V166-L181 HydrophobicContact CG1-CB 4.17Å; V166-L181 HydrophobicContact CG1-CD1 4.11Å; V166-L181 HydrophobicContact CG2-CB 4.22Å; V166-P183 HydrophobicContact CG2-CB 4.31Å; V166-P183 HydrophobicContact CG2-CG 3.92Å; V166-P183 WeakPolarHBondContact O-CB 3.27Å; V166-P183 WeakPolarHBondContact O-CG 3.38Å; V166-I205 HydrophobicContact CG1-CD1 3.81Å
167	P	94.4	Very high	93.8	Very high	34 Å²	34	63.2 Å²	63.2	22%	0.221	36%	0.355	C	S	.	.	S	Bend	trans	-71.7	-29.9	-174.3	27.3	-36.1	0	0	0	113.6	R152	R152-P167 HydrophobicContact CB-CG 4.35Å; R152-P167 HydrophobicContact CG-CG 4.15Å; R152-P167 WeakPolarHBondContact O-CD 3.35Å
168	C	93.8	Very high	94.1	Very high	19 Å²	19	64.2 Å²	64.2	13%	0.128	35%	0.349	C	S	.	.	S	Bend	trans	-145.5	170.4	178.1	62.6	0	0	0	0	110	V166 V170 Y236	V166-C168 PolarHBondContact O-N 3.11Å; C168-V170 PolarHBondContact O-N 3.01Å; C168-V170 VanDerWaalsContact O-N 3.14Å; C168-V170 VanDerWaalsContact SG-CG1 3.54Å; C168-Y236 HydrophobicContact CB-CD1 4.14Å; C168-Y236 HydrophobicContact CB-CE1 4.25Å; C168-Y236 WeakPolarHBondContact SG-CD1 2.96Å
169	K	96.2	Very high	94.6	Very high	125 Å²	125	57.9 Å²	57.9	54%	0.543	32%	0.315	S	S	.	.			trans	-71.8	107.3	173.7	-64.3	178.4	-173.1	172.3	0	108.7	L181 I182	K169-L181 WeakPolarHBondContact CA-O 3.34Å; K169-I182 HydrophobicContact CG-CG1 4.44Å; K169-I182 HydrophobicContact CG-CG2 4.31Å
170	V	96.3	Very high	95.1	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.03	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.1	-179.7	-66	0	0	0	0	111.1	C168 R180 L181 A229 T233	C168-V170 PolarHBondContact O-N 3.01Å; C168-V170 VanDerWaalsContact O-N 3.14Å; C168-V170 VanDerWaalsContact SG-CG1 3.54Å; V170-R180 CarbonylContact O-C 3.33Å; V170-R180 WeakPolarHBondContact O-CA 3.31Å; V170-L181 HydrophobicContact CG2-CB 3.7Å; V170-L181 HydrophobicContact CG2-CD1 3.88Å; V170-L181 HydrophobicContact CG2-CG 4.06Å; V170-L181 PolarHBondContact N-O 2.71Å; V170-L181 VanDerWaalsContact N-O 3.12Å; V170-L181 PolarHBondContact O-N 2.7Å; V170-A229 HydrophobicContact CG2-CB 4.44Å; V170-A229 WeakPolarHBondContact CG2-O 3.41Å; V170-T233 HydrophobicContact CG1-CG2 4.33Å; V170-T233 HydrophobicContact CG2-CG2 4.12Å
171	T	96.9	Very high	95.6	Very high	69 Å²	69	49.5 Å²	49.5	42%	0.423	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.9	178.4	52	0	0	0	0	110.6	L178 V179 R180	T171-L178 HydrophobicContact CG2-CD2 4Å; T171-V179 CarbonylContact C-O 3.57Å; T171-V179 WeakPolarHBondContact CA-O 3.13Å; T171-R180 HydrophobicContact CG2-CB 3.93Å; T171-R180 HydrophobicContact CG2-CG 3.7Å
172	G	97.2	Very high	96	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.4	171.9	0	0	0	0	0	111.9	L178 V179 A225 D228	G172-L178 WeakPolarHBondContact O-CA 3.37Å; G172-V179 PolarHBondContact N-O 3.3Å; G172-V179 PolarHBondContact O-N 2.87Å; G172-A225 CarbonylContact C-O 3.56Å; G172-A225 WeakPolarHBondContact CA-O 3.43Å; G172-D228 WeakPolarHBondContact CA-OD2 3.5Å
173	R	96.6	Very high	96.2	Very high	176 Å²	176	41.5 Å²	41.5	66%	0.664	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.5	-176.1	-174.7	-179.4	176.5	-178	1	111.5	G175 V177 D228	R173-G175 PolarHBondContact NE-O 3.03Å; R173-V177 WeakPolarHBondContact CA-O 3.46Å; R173-D228 PolarHBondContact N-OD2 3.33Å
174	C	96.9	Very high	96.3	Very high	27 Å²	27	39.4 Å²	39.4	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	116.8	167.4	-170.3	0	0	0	0	109.8	S176 V177 N221 K224 A225	C174-S176 PolarHBondContact O-N 2.85Å; C174-V177 PolarHBondContact N-O 2.91Å; C174-V177 PolarHBondContact O-N 2.85Å; C174-V177 VanDerWaalsContact O-N 3.07Å; C174-N221 HydrophobicContact CB-CB 4.4Å; C174-N221 WeakPolarHBondContact CB-O 3.34Å; C174-K224 HydrophobicContact CB-CB 3.92Å; C174-A225 HydrophobicContact CB-CB 3.86Å
175	G	95.4	Very high	96.3	Very high	52 Å²	52	40.9 Å²	40.9	54%	0.536	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-126.1	-171	0	0	0	0	0	111.6	R173	R173-G175 PolarHBondContact NE-O 3.03Å
176	S	95.4	Very high	96.2	Very high	78 Å²	78	47.1 Å²	47.1	55%	0.545	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.3	174.7	60.3	0	0	0	0	113.9	C174 G214	C174-S176 PolarHBondContact O-N 2.85Å; S176-G214 WeakPolarHBondContact O-CA 3.34Å
177	V	97.6	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127.4	-176.7	-172.7	0	0	0	0	110	R173 C174 V179 R213 C215 T216 N221 F222 A225	R173-V177 WeakPolarHBondContact CA-O 3.46Å; C174-V177 PolarHBondContact N-O 2.91Å; C174-V177 PolarHBondContact O-N 2.85Å; C174-V177 VanDerWaalsContact O-N 3.07Å; V177-V179 HydrophobicContact CG1-CG2 4.25Å; V177-R213 WeakPolarHBondContact CA-O 3.46Å; V177-C215 VanDerWaalsContact CG2-O 3.23Å; V177-C215 WeakPolarHBondContact CG2-O 3.45Å; V177-T216 HydrophobicContact CG1-CG2 4.19Å; V177-N221 HydrophobicContact CG2-CB 4.11Å; V177-F222 HydrophobicContact CG1-CB 4.43Å; V177-F222 HydrophobicContact CG1-CD2 3.77Å; V177-A225 HydrophobicContact CB-CB 4.43Å; V177-A225 HydrophobicContact CG1-CB 4.23Å
178	L	97.1	Very high	96	Very high	70 Å²	70	51.2 Å²	51.2	37%	0.366	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.9	175.1	-163	161.5	0	0	0	108.4	T171 G172 A212 R213	T171-L178 HydrophobicContact CG2-CD2 4Å; G172-L178 WeakPolarHBondContact O-CA 3.37Å; L178-A212 CarbonylContact O-C 3.58Å; L178-A212 VanDerWaalsContact O-CA 3.3Å; L178-A212 WeakPolarHBondContact O-CA 3.23Å; L178-R213 PolarHBondContact N-O 3.49Å; L178-R213 PolarHBondContact O-N 2.86Å
179	V	97.8	Very high	96.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.2	177	-178.6	0	0	0	0	108.5	T171 G172 V177 L181 A212 F222 A225	T171-V179 CarbonylContact C-O 3.57Å; T171-V179 WeakPolarHBondContact CA-O 3.13Å; G172-V179 PolarHBondContact N-O 3.3Å; G172-V179 PolarHBondContact O-N 2.87Å; V177-V179 HydrophobicContact CG1-CG2 4.25Å; V179-L181 HydrophobicContact CG1-CD2 4.25Å; V179-A212 HydrophobicContact CG2-CB 4.49Å; V179-F222 HydrophobicContact CG2-CD2 3.7Å; V179-F222 HydrophobicContact CG2-CE2 3.63Å; V179-A225 HydrophobicContact CB-CB 4.47Å; V179-A225 HydrophobicContact CG2-CB 3.84Å
180	R	97.6	Very high	96.1	Very high	104 Å²	104	46.8 Å²	46.8	39%	0.392	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.9	176.1	-172	176.9	-169.6	-176	7.6	109.2	V170 T171 I182 T210 S211	V170-R180 CarbonylContact O-C 3.33Å; V170-R180 WeakPolarHBondContact O-CA 3.31Å; T171-R180 HydrophobicContact CG2-CB 3.93Å; T171-R180 HydrophobicContact CG2-CG 3.7Å; R180-I182 HydrophobicContact CG-CD1 4.39Å; R180-I182 HydrophobicContact CG-CG1 3.95Å; R180-T210 WeakPolarHBondContact O-CA 3.06Å; R180-S211 PolarHBondContact N-O 2.87Å; R180-S211 PolarHBondContact O-N 3.43Å
181	L	97.3	Very high	96.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.8	169.8	-52.4	179.6	0	0	0	108.1	V166 K169 V170 V179 L200 T210 A229 I230	V166-L181 HydrophobicContact CG1-CB 4.17Å; V166-L181 HydrophobicContact CG1-CD1 4.11Å; V166-L181 HydrophobicContact CG2-CB 4.22Å; K169-L181 WeakPolarHBondContact CA-O 3.34Å; V170-L181 HydrophobicContact CG2-CB 3.7Å; V170-L181 HydrophobicContact CG2-CD1 3.88Å; V170-L181 HydrophobicContact CG2-CG 4.06Å; V170-L181 PolarHBondContact N-O 2.71Å; V170-L181 VanDerWaalsContact N-O 3.12Å; V170-L181 PolarHBondContact O-N 2.7Å; V179-L181 HydrophobicContact CG1-CD2 4.25Å; L181-L200 HydrophobicContact CD1-CD2 3.91Å; L181-L200 HydrophobicContact CD2-CD1 4.09Å; L181-L200 HydrophobicContact CD2-CD2 4.01Å; L181-T210 HydrophobicContact CD2-CG2 3.73Å; L181-A229 HydrophobicContact CD1-CB 3.89Å; L181-A229 HydrophobicContact CG-CB 3.98Å; L181-I230 HydrophobicContact CD1-CG1 4.01Å
182	I	97	Very high	96.1	Very high	42 Å²	42	48.2 Å²	48.2	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.9	-177.1	-59.4	170.5	0	0	0	107.6	K169 R180 Y209	K169-I182 HydrophobicContact CG-CG1 4.44Å; K169-I182 HydrophobicContact CG-CG2 4.31Å; R180-I182 HydrophobicContact CG-CD1 4.39Å; R180-I182 HydrophobicContact CG-CG1 3.95Å; I182-Y209 PolarHBondContact N-O 2.85Å; I182-Y209 PolarHBondContact O-N 2.88Å
183	P	96.4	Very high	96	Very high	20 Å²	20	50.1 Å²	50.1	13%	0.13	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	139.9	176.4	-19.9	27.9	0	0	0	111.5	T165 V166	T165-P183 HydrophobicContact CG2-CB 4.08Å; T165-P183 WeakPolarHBondContact OG1-CA 3.42Å; V166-P183 HydrophobicContact CG2-CB 4.31Å; V166-P183 HydrophobicContact CG2-CG 3.92Å; V166-P183 WeakPolarHBondContact O-CB 3.27Å; V166-P183 WeakPolarHBondContact O-CG 3.38Å
184	A	96.1	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	30%	0.295	C	S	.	.			trans	-129.2	150.5	-178.9	0	0	0	0	0	111.4	W156 H164 T165 T188 D207 Y209	W156-A184 WeakPolarHBondContact CB-O 3.45Å; H164-A184 PolarHBondContact CE1-O 3.27Å; T165-A184 PolarHBondContact OG1-N 3.26Å; T165-A184 VanDerWaalsContact OG1-N 3.09Å; A184-T188 HydrophobicContact CB-CG2 4.14Å; A184-D207 HydrophobicContact CB-CB 4.15Å; A184-Y209 HydrophobicContact CB-CD2 3.66Å; A184-Y209 HydrophobicContact CB-CE2 3.72Å; A184-Y209 HydrophobicContact CB-CG 4.22Å
185	P	95.2	Very high	95.7	Very high	36 Å²	36	46.3 Å²	46.3	23%	0.234	29%	0.293	C	S	.	.			trans	-63.6	159.6	177.4	23.1	-28.9	0	0	0	112.3	W156 G187 T188	W156-P185 HydrophobicContact CD2-CB 3.93Å; W156-P185 HydrophobicContact CD2-CG 4.46Å; W156-P185 HydrophobicContact CE3-CB 3.65Å; W156-P185 HydrophobicContact CE3-CG 4.49Å; W156-P185 HydrophobicContact CH2-CB 4.38Å; W156-P185 HydrophobicContact CZ3-CB 3.88Å; P185-G187 PolarHBondContact O-N 3.46Å; P185-T188 WeakPolarHBondContact CD-OG1 3.42Å; P185-T188 WeakPolarHBondContact CG-OG1 3.48Å; P185-T188 WeakPolarHBondContact O-CB 3.42Å; P185-T188 PolarHBondContact O-N 2.92Å; P185-T188 PolarHBondContact O-OG1 3.15Å
186	R	93.3	Very high	95.7	Very high	130 Å²	130	43.9 Å²	43.9	49%	0.491	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	134.2	-179.3	-65.7	-166.6	81.5	97.3	16	111.4	I160 K162 H164 D207	I160-R186 PolarHBondContact O-NH1 3.41Å; K162-R186 PolarHBondContact O-NH1 2.82Å; H164-R186 VanDerWaalsContact CE1-CG 3.42Å; H164-R186 WeakPolarHBondContact CE1-CG 3.39Å; H164-R186 WeakPolarHBondContact NE2-CG 3.36Å; R186-D207 WeakPolarHBondContact CA-OD2 3.49Å
187	G	92.7	Very high	95.7	Very high	76 Å²	76	44.4 Å²	44.4	78%	0.784	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	6.7	177.3	0	0	0	0	0	114.5	P185 G189 D207	P185-G187 PolarHBondContact O-N 3.46Å; G187-G189 VanDerWaalsContact C-N 3.28Å; G187-D207 WeakPolarHBondContact CA-OD1 3.28Å; G187-D207 PolarHBondContact N-OD1 2.9Å; G187-D207 PolarHBondContact N-OD2 2.95Å
188	T	94.2	Very high	95.6	Very high	44 Å²	44	47.4 Å²	47.4	27%	0.27	27%	0.274	S	S	.	.			trans	-68.8	-32.3	171.5	-54.1	0	0	0	0	111.3	A184 P185 V191 D207 Y209	A184-T188 HydrophobicContact CB-CG2 4.14Å; P185-T188 WeakPolarHBondContact CD-OG1 3.42Å; P185-T188 WeakPolarHBondContact CG-OG1 3.48Å; P185-T188 WeakPolarHBondContact O-CB 3.42Å; P185-T188 PolarHBondContact O-N 2.92Å; P185-T188 PolarHBondContact O-OG1 3.15Å; T188-V191 HydrophobicContact CG2-CG2 4.11Å; T188-D207 PolarHBondContact N-OD1 3.36Å; T188-Y209 HydrophobicContact CG2-CD1 4.38Å; T188-Y209 HydrophobicContact CG2-CE1 3.56Å; T188-Y209 HydrophobicContact CG2-CE2 4.45Å
189	G	95.3	Very high	95.6	Very high	27 Å²	27	44 Å²	44	28%	0.278	26%	0.256	S	S	.	.			trans	70.4	-173.3	-166.8	0	0	0	0	0	112.7	G187 V191 D206 D207 C208	G187-G189 VanDerWaalsContact C-N 3.28Å; G189-V191 PolarHBondContact O-N 2.92Å; G189-D206 CarbonylContact C-O 3.57Å; G189-D206 WeakPolarHBondContact CA-O 3.4Å; G189-D207 PolarHBondContact N-OD1 3.29Å; G189-D207 WeakPolarHBondContact O-CA 3.23Å; G189-C208 PolarHBondContact O-N 3.01Å
190	I	96.9	Very high	95.5	Very high	24 Å²	24	44 Å²	44	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	103.9	-178.7	-51.3	173.2	0	0	0	109.9	S192 K197 L200 M201 I205 D206	I190-S192 WeakPolarHBondContact CG2-OG 3.37Å; I190-S192 PolarHBondContact O-N 2.86Å; I190-K197 HydrophobicContact CB-CG 4.24Å; I190-K197 HydrophobicContact CG2-CG 4.07Å; I190-L200 HydrophobicContact CD1-CB 4.05Å; I190-L200 HydrophobicContact CG2-CB 4.14Å; I190-L200 HydrophobicContact CG2-CD1 3.7Å; I190-M201 HydrophobicContact CD1-CB 4.29Å; I190-M201 HydrophobicContact CD1-CG 3.35Å; I190-I205 VanDerWaalsContact CD1-O 3.27Å; I190-I205 WeakPolarHBondContact CD1-O 3.47Å; I190-D206 VanDerWaalsContact CG1-O 3.3Å; I190-D206 WeakPolarHBondContact CG1-O 3.41Å; I190-D206 PolarHBondContact N-O 3.06Å
191	V	96.8	Very high	95.4	Very high	75 Å²	75	42.4 Å²	42.4	46%	0.455	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	88	174.9	-174.2	0	0	0	0	108.8	T188 G189 C208 Y209 T210	T188-V191 HydrophobicContact CG2-CG2 4.11Å; G189-V191 PolarHBondContact O-N 2.92Å; V191-C208 PolarHBondContact N-O 2.95Å; V191-Y209 HydrophobicContact CB-CD1 3.99Å; V191-Y209 HydrophobicContact CG1-CD1 4.49Å; V191-Y209 HydrophobicContact CG2-CD1 3.95Å; V191-Y209 HydrophobicContact CG2-CE1 3.99Å; V191-T210 PolarHBondContact O-N 2.9Å; V191-T210 PolarHBondContact O-OG1 2.81Å
192	S	94.8	Very high	95.3	Very high	29 Å²	29	42.5 Å²	42.5	20%	0.203	25%	0.254	C	S	.	.	S	Bend	trans	-153.8	164.7	179.7	72.7	0	0	0	0	113.5	I190 K197 T210	I190-S192 WeakPolarHBondContact CG2-OG 3.37Å; I190-S192 PolarHBondContact O-N 2.86Å; S192-K197 WeakPolarHBondContact OG-CA 3.47Å; S192-K197 WeakPolarHBondContact OG-CB 3.41Å; S192-K197 PolarHBondContact OG-N 3.44Å; S192-K197 VanDerWaalsContact OG-N 3.12Å; S192-T210 WeakPolarHBondContact CA-OG1 3.49Å; S192-T210 WeakPolarHBondContact CB-OG1 3.35Å
193	A	94.8	Very high	95.2	Very high	42 Å²	42	40.5 Å²	40.5	35%	0.347	24%	0.244	S	C	.	.			trans	-61.9	155.7	168.9	0	0	0	0	0	111.1	V195 P196 K197 F222	A193-V195 PolarHBondContact O-N 3.38Å; A193-P196 VanDerWaalsContact O-CD 3.31Å; A193-P196 WeakPolarHBondContact O-CD 3.43Å; A193-K197 WeakPolarHBondContact O-CB 3.47Å; A193-K197 PolarHBondContact O-N 2.91Å; A193-F222 HydrophobicContact CB-CE1 3.88Å; A193-F222 HydrophobicContact CB-CZ 4.02Å
194	P	94.4	Very high	95.1	Very high	98 Å²	98	39.8 Å²	39.8	64%	0.636	24%	0.24	S	C	*	.	H	α-helix	trans	-55	-33.1	-171.8	-28.7	34.7	0	0	0	115.5	K198	P194-K198 WeakPolarHBondContact O-CG 3.33Å; P194-K198 PolarHBondContact O-N 3.11Å
195	V	93.8	Very high	95.1	Very high	25 Å²	25	39.9 Å²	39.9	15%	0.152	24%	0.241	C	C	.	.	H	α-helix	trans	-72.9	-57.1	-177.2	173.1	0	0	0	0	111.8	A193 K197 K198 L199 L219 F222 A223	A193-V195 PolarHBondContact O-N 3.38Å; V195-K197 PolarHBondContact O-N 3.44Å; V195-K198 PolarHBondContact O-N 2.72Å; V195-L199 PolarHBondContact O-N 3.09Å; V195-L219 HydrophobicContact CG1-CD2 4.48Å; V195-L219 HydrophobicContact CG1-CG 4.12Å; V195-L219 HydrophobicContact CG2-CD1 3.47Å; V195-L219 VanDerWaalsContact CG2-CD1 3.47Å; V195-L219 HydrophobicContact CG2-CG 3.85Å; V195-F222 HydrophobicContact CB-CD1 4.23Å; V195-F222 HydrophobicContact CB-CE1 4.43Å; V195-F222 HydrophobicContact CG1-CD1 4.4Å; V195-A223 HydrophobicContact CG1-CB 4Å
196	P	95.3	Very high	95.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-34.7	170.8	-23.9	27.9	0	0	0	113.4	A193 K198 L199 L200 F222 T226	A193-P196 VanDerWaalsContact O-CD 3.31Å; A193-P196 WeakPolarHBondContact O-CD 3.43Å; P196-K198 VanDerWaalsContact C-N 3.31Å; P196-K198 PolarHBondContact O-N 3.08Å; P196-L199 PolarHBondContact O-N 3.29Å; P196-L199 VanDerWaalsContact O-N 3.16Å; P196-L200 WeakPolarHBondContact O-CG 3.5Å; P196-L200 PolarHBondContact O-N 2.92Å; P196-F222 HydrophobicContact CG-CD1 4.16Å; P196-F222 HydrophobicContact CG-CD2 4.42Å; P196-F222 HydrophobicContact CG-CE1 3.44Å; P196-F222 VanDerWaalsContact CG-CE1 3.44Å; P196-F222 HydrophobicContact CG-CE2 3.74Å; P196-F222 HydrophobicContact CG-CZ 3.2Å; P196-T226 HydrophobicContact CB-CG2 3.81Å
197	K	95.9	Very high	95.2	Very high	88 Å²	88	36.5 Å²	36.5	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-55.3	-48.1	179.1	-165.8	172	-179.3	172.7	0	111.3	I190 S192 A193 V195 L199 L200 M201	I190-K197 HydrophobicContact CB-CG 4.24Å; I190-K197 HydrophobicContact CG2-CG 4.07Å; S192-K197 WeakPolarHBondContact OG-CA 3.47Å; S192-K197 WeakPolarHBondContact OG-CB 3.41Å; S192-K197 PolarHBondContact OG-N 3.44Å; S192-K197 VanDerWaalsContact OG-N 3.12Å; A193-K197 WeakPolarHBondContact O-CB 3.47Å; A193-K197 PolarHBondContact O-N 2.91Å; V195-K197 PolarHBondContact O-N 3.44Å; K197-L199 PolarHBondContact O-N 2.9Å; K197-L200 PolarHBondContact O-N 2.82Å; K197-M201 HydrophobicContact CG-CE 4.16Å; K197-M201 HydrophobicContact CG-SD 4.32Å; K197-M201 WeakPolarHBondContact O-CB 3.36Å; K197-M201 VanDerWaalsContact O-CG 3.25Å; K197-M201 WeakPolarHBondContact O-CG 3.25Å; K197-M201 PolarHBondContact O-N 3.43Å
198	K	95.7	Very high	95.4	Very high	63 Å²	63	32.9 Å²	32.9	27%	0.274	19%	0.193	S	C	.	.	H	α-helix	trans	-60	-45	177.5	-69.9	171.1	175.6	-153.7	0	112.2	E91 L93 P194 V195 P196 L200 M201 M202	E91-K198 WeakPolarHBondContact OE1-CD 3.35Å; E91-K198 WeakPolarHBondContact OE1-CE 3.32Å; E91-K198 IonicContact OE1-NZ 3.65Å; E91-K198 PolarHBondContact OE1-NZ 2.64Å; E91-K198 WeakPolarHBondContact OE2-CD 3.4Å; E91-K198 WeakPolarHBondContact OE2-CG 3.35Å; L93-K198 HydrophobicContact CD2-CB 4.16Å; L93-K198 HydrophobicContact CD2-CD 3.91Å; P194-K198 WeakPolarHBondContact O-CG 3.33Å; P194-K198 PolarHBondContact O-N 3.11Å; V195-K198 PolarHBondContact O-N 2.72Å; P196-K198 VanDerWaalsContact C-N 3.31Å; P196-K198 PolarHBondContact O-N 3.08Å; K198-L200 PolarHBondContact O-N 3.06Å; K198-M201 HydrophobicContact CB-CE 4.42Å; K198-M201 HydrophobicContact CG-CE 4.03Å; K198-M201 PolarHBondContact O-N 2.78Å; K198-M202 WeakPolarHBondContact O-CB 3.44Å; K198-M202 WeakPolarHBondContact O-CG 3.37Å; K198-M202 PolarHBondContact O-N 2.87Å
199	L	95.8	Very high	95.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-41.3	177.4	-71.1	171.6	0	0	0	112.8	A115 V123 V195 P196 K197 A203 A223 T226 I230	A115-L199 HydrophobicContact CB-CD2 3.59Å; V123-L199 HydrophobicContact CG2-CD2 4.18Å; V195-L199 PolarHBondContact O-N 3.09Å; P196-L199 PolarHBondContact O-N 3.29Å; P196-L199 VanDerWaalsContact O-N 3.16Å; K197-L199 PolarHBondContact O-N 2.9Å; L199-A203 WeakPolarHBondContact O-CB 3.38Å; L199-A203 PolarHBondContact O-N 2.9Å; L199-A223 HydrophobicContact CD1-CB 4.18Å; L199-A223 WeakPolarHBondContact CD1-O 3.37Å; L199-T226 HydrophobicContact CB-CG2 4.25Å; L199-T226 HydrophobicContact CD1-CG2 4.01Å; L199-I230 HydrophobicContact CB-CD1 4.33Å
200	L	96.3	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.4	-38.2	178.4	-67.9	171.1	0	0	0	112.1	L181 I190 P196 K197 K198 A203 G204 I205 C208 T210 I230	L181-L200 HydrophobicContact CD1-CD2 3.91Å; L181-L200 HydrophobicContact CD2-CD1 4.09Å; L181-L200 HydrophobicContact CD2-CD2 4.01Å; I190-L200 HydrophobicContact CD1-CB 4.05Å; I190-L200 HydrophobicContact CG2-CB 4.14Å; I190-L200 HydrophobicContact CG2-CD1 3.7Å; P196-L200 WeakPolarHBondContact O-CG 3.5Å; P196-L200 PolarHBondContact O-N 2.92Å; K197-L200 PolarHBondContact O-N 2.82Å; K198-L200 PolarHBondContact O-N 3.06Å; L200-A203 WeakPolarHBondContact O-CB 3.5Å; L200-A203 PolarHBondContact O-N 3.33Å; L200-G204 PolarHBondContact O-N 3.22Å; L200-I205 HydrophobicContact CD2-CD1 3.68Å; L200-I205 PolarHBondContact O-N 3.09Å; L200-I205 VanDerWaalsContact O-N 3.09Å; L200-C208 HydrophobicContact CD1-CB 4.41Å; L200-T210 HydrophobicContact CD1-CG2 3.73Å; L200-I230 HydrophobicContact CD2-CD1 4.02Å; L200-I230 HydrophobicContact CD2-CG1 4.18Å
201	M	95.8	Very high	95.7	Very high	71 Å²	71	38 Å²	38	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-61.5	-47.2	173	-72.3	-175	-57.8	0	0	111.1	Y119 I190 K197 K198 A203 G204	Y119-M201 WeakPolarHBondContact CD1-O 3.4Å; Y119-M201 HydrophobicContact CE1-CB 4.4Å; I190-M201 HydrophobicContact CD1-CB 4.29Å; I190-M201 HydrophobicContact CD1-CG 3.35Å; K197-M201 HydrophobicContact CG-CE 4.16Å; K197-M201 HydrophobicContact CG-SD 4.32Å; K197-M201 WeakPolarHBondContact O-CB 3.36Å; K197-M201 VanDerWaalsContact O-CG 3.25Å; K197-M201 WeakPolarHBondContact O-CG 3.25Å; K197-M201 PolarHBondContact O-N 3.43Å; K198-M201 HydrophobicContact CB-CE 4.42Å; K198-M201 HydrophobicContact CG-CE 4.03Å; K198-M201 PolarHBondContact O-N 2.78Å; M201-A203 VanDerWaalsContact C-N 3.27Å; M201-A203 PolarHBondContact O-N 2.94Å; M201-G204 PolarHBondContact O-N 3.08Å
202	M	95.4	Very high	95.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-33.6	177.3	-76.2	-176.6	167	0	0	113	E91 A115 Y119 V123 K198 G204	E91-M202 HydrophobicContact CB-CE 3.19Å; E91-M202 HydrophobicContact CG-CE 4.39Å; A115-M202 HydrophobicContact CB-CE 4.41Å; A115-M202 HydrophobicContact CB-SD 3.56Å; A115-M202 VanDerWaalsContact CB-SD 3.56Å; Y119-M202 VanDerWaalsContact CA-O 3.28Å; Y119-M202 WeakPolarHBondContact CA-O 3.47Å; Y119-M202 PolarHBondContact N-O 3.41Å; V123-M202 HydrophobicContact CG2-CB 4.21Å; K198-M202 WeakPolarHBondContact O-CB 3.44Å; K198-M202 WeakPolarHBondContact O-CG 3.37Å; K198-M202 PolarHBondContact O-N 2.87Å; M202-G204 PolarHBondContact O-N 3.47Å
203	A	95	Very high	95.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.4	172.6	0	0	0	0	0	113.6	G121 V123 V151 L199 L200 M201 I205 I230	G121-A203 VanDerWaalsContact CA-O 3.27Å; G121-A203 WeakPolarHBondContact CA-O 3.41Å; G121-A203 PolarHBondContact N-O 3.24Å; G121-A203 VanDerWaalsContact N-O 3.15Å; V123-A203 HydrophobicContact CB-CB 4.27Å; V123-A203 HydrophobicContact CG1-CB 4.37Å; V151-A203 HydrophobicContact CB-CB 4.36Å; V151-A203 HydrophobicContact CG1-CB 4.19Å; V151-A203 HydrophobicContact CG2-CB 3.87Å; L199-A203 WeakPolarHBondContact O-CB 3.38Å; L199-A203 PolarHBondContact O-N 2.9Å; L200-A203 WeakPolarHBondContact O-CB 3.5Å; L200-A203 PolarHBondContact O-N 3.33Å; M201-A203 VanDerWaalsContact C-N 3.27Å; M201-A203 PolarHBondContact O-N 2.94Å; A203-I205 HydrophobicContact CB-CD1 4.25Å; A203-I205 HydrophobicContact CB-CG1 4.38Å; A203-I230 HydrophobicContact CB-CD1 4.38Å
204	G	94.6	Very high	95.7	Very high	5 Å²	5	45.3 Å²	45.3	5%	0.052	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	26.4	-177.7	0	0	0	0	0	113.9	Y119 R153 L200 M201 M202	Y119-G204 VanDerWaalsContact O-CA 3.23Å; Y119-G204 WeakPolarHBondContact O-CA 3.18Å; R153-G204 WeakPolarHBondContact CD-O 3.45Å; R153-G204 PolarHBondContact NH1-O 3.3Å; L200-G204 PolarHBondContact O-N 3.22Å; M201-G204 PolarHBondContact O-N 3.08Å; M202-G204 PolarHBondContact O-N 3.47Å
205	I	95.9	Very high	95.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.233	C	C	.	.			trans	-90.1	120.2	172.4	-65	166.4	0	0	0	108	V151 R153 V166 I190 L200 A203 C208	V151-I205 HydrophobicContact CG1-CD1 4.06Å; V151-I205 HydrophobicContact CG1-CG1 4.47Å; R153-I205 HydrophobicContact CG-CG1 4.33Å; V166-I205 HydrophobicContact CG1-CD1 3.81Å; I190-I205 VanDerWaalsContact CD1-O 3.27Å; I190-I205 WeakPolarHBondContact CD1-O 3.47Å; L200-I205 HydrophobicContact CD2-CD1 3.68Å; L200-I205 PolarHBondContact O-N 3.09Å; L200-I205 VanDerWaalsContact O-N 3.09Å; A203-I205 HydrophobicContact CB-CD1 4.25Å; A203-I205 HydrophobicContact CB-CG1 4.38Å; I205-C208 HydrophobicContact CG2-CB 3.98Å
206	D	94.8	Very high	95.7	Very high	86 Å²	86	45.3 Å²	45.3	46%	0.46	24%	0.243	S	C	.	.			trans	-84.3	-43.4	-177	-58.9	-42.1	0	0	0	111.4	H164 G189 I190	H164-D206 HydrophobicContact CB-CB 4.33Å; H164-D206 PolarHBondContact O-N 3.17Å; G189-D206 CarbonylContact C-O 3.57Å; G189-D206 WeakPolarHBondContact CA-O 3.4Å; I190-D206 VanDerWaalsContact CG1-O 3.3Å; I190-D206 WeakPolarHBondContact CG1-O 3.41Å; I190-D206 PolarHBondContact N-O 3.06Å
207	D	96.1	Very high	95.6	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.043	28%	0.277	C	S	.	.			trans	-125.6	125.1	-173.1	-56.1	-70.9	0	0	0	110.8	H164 T165 A184 R186 G187 T188 G189	H164-D207 IonicContact CE1-OD2 2.71Å; H164-D207 IonicContact CG-OD2 3.3Å; H164-D207 IonicContact ND1-OD2 2.71Å; H164-D207 PolarHBondContact ND1-OD2 3.09Å; H164-D207 PolarHBondContact O-N 3.4Å; T165-D207 WeakPolarHBondContact CA-O 3.46Å; T165-D207 WeakPolarHBondContact CB-O 3.18Å; T165-D207 PolarHBondContact OG1-O 2.88Å; A184-D207 HydrophobicContact CB-CB 4.15Å; R186-D207 WeakPolarHBondContact CA-OD2 3.49Å; G187-D207 WeakPolarHBondContact CA-OD1 3.28Å; G187-D207 PolarHBondContact N-OD1 2.9Å; G187-D207 PolarHBondContact N-OD2 2.95Å; T188-D207 PolarHBondContact N-OD1 3.36Å; G189-D207 PolarHBondContact N-OD1 3.29Å; G189-D207 WeakPolarHBondContact O-CA 3.23Å
208	C	96.8	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	134.2	175	-169	0	0	0	0	111	G189 V191 L200 I205	G189-C208 PolarHBondContact O-N 3.01Å; V191-C208 PolarHBondContact N-O 2.95Å; L200-C208 HydrophobicContact CD1-CB 4.41Å; I205-C208 HydrophobicContact CG2-CB 3.98Å
209	Y	97.6	Very high	95.4	Very high	100 Å²	100	46.2 Å²	46.2	39%	0.392	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.1	161.5	-66.1	-59	0	0	0	109.1	I182 A184 T188 V191	I182-Y209 PolarHBondContact N-O 2.85Å; I182-Y209 PolarHBondContact O-N 2.88Å; A184-Y209 HydrophobicContact CB-CD2 3.66Å; A184-Y209 HydrophobicContact CB-CE2 3.72Å; A184-Y209 HydrophobicContact CB-CG 4.22Å; T188-Y209 HydrophobicContact CG2-CD1 4.38Å; T188-Y209 HydrophobicContact CG2-CE1 3.56Å; T188-Y209 HydrophobicContact CG2-CE2 4.45Å; V191-Y209 HydrophobicContact CB-CD1 3.99Å; V191-Y209 HydrophobicContact CG1-CD1 4.49Å; V191-Y209 HydrophobicContact CG2-CD1 3.95Å; V191-Y209 HydrophobicContact CG2-CE1 3.99Å
210	T	97.4	Very high	95.3	Very high	37 Å²	37	46.9 Å²	46.9	23%	0.227	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.7	175.2	67.1	0	0	0	0	110.7	R180 L181 V191 S192 L200	R180-T210 WeakPolarHBondContact O-CA 3.06Å; L181-T210 HydrophobicContact CD2-CG2 3.73Å; V191-T210 PolarHBondContact O-N 2.9Å; V191-T210 PolarHBondContact O-OG1 2.81Å; S192-T210 WeakPolarHBondContact CA-OG1 3.49Å; S192-T210 WeakPolarHBondContact CB-OG1 3.35Å; L200-T210 HydrophobicContact CD1-CG2 3.73Å
211	S	96.7	Very high	95.3	Very high	66 Å²	66	49.9 Å²	49.9	46%	0.462	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.9	170.2	178.8	0	0	0	0	108.1	R180	R180-S211 PolarHBondContact N-O 2.87Å; R180-S211 PolarHBondContact O-N 3.43Å
212	A	95.9	Very high	95.4	Very high	46 Å²	46	47.2 Å²	47.2	38%	0.38	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.1	-179.8	0	0	0	0	0	110.3	L178 V179 T216 F222	L178-A212 CarbonylContact O-C 3.58Å; L178-A212 VanDerWaalsContact O-CA 3.3Å; L178-A212 WeakPolarHBondContact O-CA 3.23Å; V179-A212 HydrophobicContact CG2-CB 4.49Å; A212-T216 HydrophobicContact CB-CG2 3.66Å; A212-F222 HydrophobicContact CB-CE2 3.7Å; A212-F222 HydrophobicContact CB-CZ 4.22Å
213	R	95.9	Very high	95.4	Very high	206 Å²	206	47.1 Å²	47.1	78%	0.777	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.4	176.4	-168.7	176.7	-178	-176.4	1.3	109.9	V177 L178	V177-R213 WeakPolarHBondContact CA-O 3.46Å; L178-R213 PolarHBondContact N-O 3.49Å; L178-R213 PolarHBondContact O-N 2.86Å
214	G	95.3	Very high	95.5	Very high	47 Å²	47	51.3 Å²	51.3	49%	0.485	30%	0.296	S	S	.	.	S	Bend	trans	97.8	-162.2	-178.1	0	0	0	0	0	113.1	S176 T216	S176-G214 WeakPolarHBondContact O-CA 3.34Å; G214-T216 VanDerWaalsContact C-N 3.35Å; G214-T216 PolarHBondContact O-N 2.85Å
215	C	94.8	Very high	95.7	Very high	65 Å²	65	51 Å²	51	44%	0.439	29%	0.294	S	S	.	.			trans	-82.3	74.5	-175.2	-171.7	0	0	0	0	112.5	V177 A217 T218	V177-C215 VanDerWaalsContact CG2-O 3.23Å; V177-C215 WeakPolarHBondContact CG2-O 3.45Å; C215-A217 PolarHBondContact O-N 3.33Å; C215-T218 PolarHBondContact O-N 3.37Å; C215-T218 PolarHBondContact O-OG1 2.85Å
216	T	93.2	Very high	95.7	Very high	58 Å²	58	51 Å²	51	36%	0.356	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17	-178.3	54.5	0	0	0	0	114.1	V177 A212 G214 T218 F222	V177-T216 HydrophobicContact CG1-CG2 4.19Å; A212-T216 HydrophobicContact CB-CG2 3.66Å; G214-T216 VanDerWaalsContact C-N 3.35Å; G214-T216 PolarHBondContact O-N 2.85Å; T216-T218 PolarHBondContact O-N 3.49Å; T216-F222 HydrophobicContact CG2-CD2 4.15Å; T216-F222 HydrophobicContact CG2-CE2 3.98Å; T216-F222 HydrophobicContact CG2-CZ 4.42Å
217	A	93.3	Very high	95.8	Very high	87 Å²	87	48.4 Å²	48.4	72%	0.719	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.5	173.4	0	0	0	0	0	112.7	C215 L219	C215-A217 PolarHBondContact O-N 3.33Å; A217-L219 PolarHBondContact O-N 2.96Å
218	T	94.2	Very high	95.8	Very high	58 Å²	58	50 Å²	50	36%	0.356	29%	0.287	S	S	.	.			trans	-78.9	84.3	174.9	58.8	0	0	0	0	111.6	C215 T216 G220 N221 F222	C215-T218 PolarHBondContact O-N 3.37Å; C215-T218 PolarHBondContact O-OG1 2.85Å; T216-T218 PolarHBondContact O-N 3.49Å; T218-G220 PolarHBondContact O-N 3.35Å; T218-N221 PolarHBondContact O-N 3Å; T218-F222 PolarHBondContact O-N 2.8Å
219	L	93.6	Very high	95.8	Very high	27 Å²	27	50 Å²	50	14%	0.141	29%	0.287	C	S	.	.	H	α-helix	trans	-48	-41.5	-175.3	-173.4	151.3	0	0	0	113.8	L93 K94 F113 V195 A217 N221 F222 A223	L93-L219 HydrophobicContact CB-CD2 4.29Å; K94-L219 HydrophobicContact CB-CD1 3.76Å; K94-L219 HydrophobicContact CB-CD2 3.86Å; K94-L219 HydrophobicContact CB-CG 4.4Å; K94-L219 HydrophobicContact CD-CB 4.16Å; K94-L219 HydrophobicContact CD-CD1 3.73Å; K94-L219 HydrophobicContact CD-CG 4.36Å; K94-L219 HydrophobicContact CG-CD1 4.37Å; F113-L219 HydrophobicContact CG-CD2 4.48Å; V195-L219 HydrophobicContact CG1-CD2 4.48Å; V195-L219 HydrophobicContact CG1-CG 4.12Å; V195-L219 HydrophobicContact CG2-CD1 3.47Å; V195-L219 VanDerWaalsContact CG2-CD1 3.47Å; V195-L219 HydrophobicContact CG2-CG 3.85Å; A217-L219 PolarHBondContact O-N 2.96Å; L219-N221 PolarHBondContact O-N 3.07Å; L219-F222 PolarHBondContact O-N 2.83Å; L219-A223 WeakPolarHBondContact O-CB 3.46Å; L219-A223 PolarHBondContact O-N 3.25Å
220	G	93.6	Very high	95.7	Very high	14 Å²	14	45.2 Å²	45.2	14%	0.144	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-39	-178.8	0	0	0	0	0	114	T218 K224	T218-G220 PolarHBondContact O-N 3.35Å; G220-K224 WeakPolarHBondContact O-CB 3.34Å; G220-K224 VanDerWaalsContact O-CG 3.25Å; G220-K224 WeakPolarHBondContact O-CG 3.35Å; G220-K224 PolarHBondContact O-N 3.46Å
221	N	96.2	Very high	95.6	Very high	62 Å²	62	45 Å²	45	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-77.4	-37.2	175.9	-67.2	-18	0	0	0	110.4	C174 V177 T218 L219 K224 A225	C174-N221 HydrophobicContact CB-CB 4.4Å; C174-N221 WeakPolarHBondContact CB-O 3.34Å; V177-N221 HydrophobicContact CG2-CB 4.11Å; T218-N221 PolarHBondContact O-N 3Å; L219-N221 PolarHBondContact O-N 3.07Å; N221-K224 PolarHBondContact O-N 2.97Å; N221-A225 VanDerWaalsContact O-CB 3.32Å; N221-A225 WeakPolarHBondContact O-CB 3.37Å; N221-A225 PolarHBondContact O-N 3.08Å
222	F	96.9	Very high	95.5	Very high	16 Å²	16	45.5 Å²	45.5	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-44.4	179.4	-171.7	-143.9	0	0	0	112.9	V177 V179 A193 V195 P196 A212 T216 T218 L219 A225 T226	V177-F222 HydrophobicContact CG1-CB 4.43Å; V177-F222 HydrophobicContact CG1-CD2 3.77Å; V179-F222 HydrophobicContact CG2-CD2 3.7Å; V179-F222 HydrophobicContact CG2-CE2 3.63Å; A193-F222 HydrophobicContact CB-CE1 3.88Å; A193-F222 HydrophobicContact CB-CZ 4.02Å; V195-F222 HydrophobicContact CB-CD1 4.23Å; V195-F222 HydrophobicContact CB-CE1 4.43Å; V195-F222 HydrophobicContact CG1-CD1 4.4Å; P196-F222 HydrophobicContact CG-CD1 4.16Å; P196-F222 HydrophobicContact CG-CD2 4.42Å; P196-F222 HydrophobicContact CG-CE1 3.44Å; P196-F222 VanDerWaalsContact CG-CE1 3.44Å; P196-F222 HydrophobicContact CG-CE2 3.74Å; P196-F222 HydrophobicContact CG-CZ 3.2Å; A212-F222 HydrophobicContact CB-CE2 3.7Å; A212-F222 HydrophobicContact CB-CZ 4.22Å; T216-F222 HydrophobicContact CG2-CD2 4.15Å; T216-F222 HydrophobicContact CG2-CE2 3.98Å; T216-F222 HydrophobicContact CG2-CZ 4.42Å; T218-F222 PolarHBondContact O-N 2.8Å; L219-F222 PolarHBondContact O-N 2.83Å; F222-A225 PolarHBondContact O-N 3.02Å; F222-T226 PolarHBondContact O-N 3.18Å; F222-T226 PolarHBondContact O-OG1 2.73Å
223	A	96.4	Very high	95.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-44.5	174.2	0	0	0	0	0	111.6	L93 L125 V195 L199 L219 T226 F227	L93-A223 HydrophobicContact CD1-CB 4.1Å; L125-A223 HydrophobicContact CD1-CB 4.44Å; L125-A223 HydrophobicContact CD2-CB 4.35Å; V195-A223 HydrophobicContact CG1-CB 4Å; L199-A223 HydrophobicContact CD1-CB 4.18Å; L199-A223 WeakPolarHBondContact CD1-O 3.37Å; L219-A223 WeakPolarHBondContact O-CB 3.46Å; L219-A223 PolarHBondContact O-N 3.25Å; A223-T226 PolarHBondContact O-N 2.92Å; A223-F227 WeakPolarHBondContact O-CB 3.3Å; A223-F227 PolarHBondContact O-N 3.09Å
224	K	96.9	Very high	95.3	Very high	87 Å²	87	39.4 Å²	39.4	38%	0.378	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-41.3	176.7	-76.2	179.8	175.3	-162.8	0	113.1	L125 C174 G220 N221 T226 F227 D228	L125-K224 HydrophobicContact CD2-CB 4.43Å; L125-K224 HydrophobicContact CD2-CG 3.8Å; C174-K224 HydrophobicContact CB-CB 3.92Å; G220-K224 WeakPolarHBondContact O-CB 3.34Å; G220-K224 VanDerWaalsContact O-CG 3.25Å; G220-K224 WeakPolarHBondContact O-CG 3.35Å; G220-K224 PolarHBondContact O-N 3.46Å; N221-K224 PolarHBondContact O-N 2.97Å; K224-T226 VanDerWaalsContact C-N 3.3Å; K224-T226 PolarHBondContact O-N 3.02Å; K224-F227 PolarHBondContact O-N 3.3Å; K224-D228 WeakPolarHBondContact O-CB 3.21Å; K224-D228 PolarHBondContact O-N 3.29Å
225	A	97.4	Very high	95.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-37.5	176.7	0	0	0	0	0	111.3	G172 C174 V177 V179 N221 F222 A229	G172-A225 CarbonylContact C-O 3.56Å; G172-A225 WeakPolarHBondContact CA-O 3.43Å; C174-A225 HydrophobicContact CB-CB 3.86Å; V177-A225 HydrophobicContact CB-CB 4.43Å; V177-A225 HydrophobicContact CG1-CB 4.23Å; V179-A225 HydrophobicContact CB-CB 4.47Å; V179-A225 HydrophobicContact CG2-CB 3.84Å; N221-A225 VanDerWaalsContact O-CB 3.32Å; N221-A225 WeakPolarHBondContact O-CB 3.37Å; N221-A225 PolarHBondContact O-N 3.08Å; F222-A225 PolarHBondContact O-N 3.02Å; A225-A229 PolarHBondContact O-N 3.38Å
226	T	96.9	Very high	95	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-46.8	174.2	-51.3	0	0	0	0	111.1	P196 L199 F222 A223 K224 D228 A229 I230	P196-T226 HydrophobicContact CB-CG2 3.81Å; L199-T226 HydrophobicContact CB-CG2 4.25Å; L199-T226 HydrophobicContact CD1-CG2 4.01Å; F222-T226 PolarHBondContact O-N 3.18Å; F222-T226 PolarHBondContact O-OG1 2.73Å; A223-T226 PolarHBondContact O-N 2.92Å; K224-T226 VanDerWaalsContact C-N 3.3Å; K224-T226 PolarHBondContact O-N 3.02Å; T226-D228 VanDerWaalsContact C-N 3.31Å; T226-D228 PolarHBondContact O-N 2.96Å; T226-A229 WeakPolarHBondContact O-CB 3.19Å; T226-A229 PolarHBondContact O-N 2.99Å; T226-A229 VanDerWaalsContact O-N 3.09Å; T226-I230 HydrophobicContact CG2-CD1 4.31Å; T226-I230 WeakPolarHBondContact O-CG1 3.27Å; T226-I230 PolarHBondContact O-N 2.84Å; T226-I230 VanDerWaalsContact O-N 3.08Å
227	F	96.9	Very high	95	Very high	33 Å²	33	47.6 Å²	47.6	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-40.8	176.9	-177.4	-97.8	0	0	0	112.2	V123 L125 S147 V149 A223 K224 A229 I230 S231	V123-F227 HydrophobicContact CG1-CD2 4.18Å; V123-F227 HydrophobicContact CG1-CE2 4.01Å; V123-F227 WeakPolarHBondContact O-CE2 3.23Å; L125-F227 HydrophobicContact CB-CB 4.38Å; L125-F227 HydrophobicContact CB-CD1 4.41Å; L125-F227 HydrophobicContact CB-CD2 3.74Å; L125-F227 HydrophobicContact CB-CE2 4.11Å; L125-F227 HydrophobicContact CB-CG 3.91Å; L125-F227 HydrophobicContact CD2-CB 3.97Å; L125-F227 HydrophobicContact CD2-CG 4.29Å; S147-F227 VanDerWaalsContact O-CZ 3.3Å; S147-F227 WeakPolarHBondContact O-CZ 3.49Å; V149-F227 HydrophobicContact CB-CZ 4.2Å; V149-F227 HydrophobicContact CG2-CE1 4.36Å; V149-F227 HydrophobicContact CG2-CZ 3.77Å; A223-F227 WeakPolarHBondContact O-CB 3.3Å; A223-F227 PolarHBondContact O-N 3.09Å; K224-F227 PolarHBondContact O-N 3.3Å; F227-A229 VanDerWaalsContact C-N 3.33Å; F227-A229 PolarHBondContact O-N 2.97Å; F227-I230 PolarHBondContact O-N 3.48Å; F227-S231 PolarHBondContact O-N 3.32Å
228	D	97	Very high	94.9	Very high	41 Å²	41	44.3 Å²	44.3	22%	0.219	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-33.3	174	179.1	61.1	0	0	0	112.8	G172 R173 K224 T226 I230 S231 K232	G172-D228 WeakPolarHBondContact CA-OD2 3.5Å; R173-D228 PolarHBondContact N-OD2 3.33Å; K224-D228 WeakPolarHBondContact O-CB 3.21Å; K224-D228 PolarHBondContact O-N 3.29Å; T226-D228 VanDerWaalsContact C-N 3.31Å; T226-D228 PolarHBondContact O-N 2.96Å; D228-I230 VanDerWaalsContact C-N 3.33Å; D228-S231 WeakPolarHBondContact CA-OG 3.25Å; D228-S231 PolarHBondContact O-OG 3.48Å; D228-K232 WeakPolarHBondContact O-CD 3.36Å; D228-K232 VanDerWaalsContact O-CG 3.26Å; D228-K232 WeakPolarHBondContact O-CG 3.47Å; D228-K232 PolarHBondContact O-N 3.16Å; D228-K232 VanDerWaalsContact OD1-CE 3.24Å; D228-K232 WeakPolarHBondContact OD1-CE 3.38Å; D228-K232 IonicContact OD1-NZ 3.98Å; D228-K232 PolarHBondContact OD1-NZ 3.45Å; D228-K232 WeakPolarHBondContact OD2-CE 3.43Å; D228-K232 IonicContact OD2-NZ 3.04Å; D228-K232 PolarHBondContact OD2-NZ 3.41Å
229	A	96.6	Very high	94.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-40.2	173.6	0	0	0	0	0	111.1	V170 L181 A225 T226 F227	V170-A229 HydrophobicContact CG2-CB 4.44Å; V170-A229 WeakPolarHBondContact CG2-O 3.41Å; L181-A229 HydrophobicContact CD1-CB 3.89Å; L181-A229 HydrophobicContact CG-CB 3.98Å; A225-A229 PolarHBondContact O-N 3.38Å; T226-A229 WeakPolarHBondContact O-CB 3.19Å; T226-A229 PolarHBondContact O-N 2.99Å; T226-A229 VanDerWaalsContact O-N 3.09Å; F227-A229 VanDerWaalsContact C-N 3.33Å; F227-A229 PolarHBondContact O-N 2.97Å
230	I	95.3	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-45.5	179.5	-66.4	169.6	0	0	0	111	V123 V151 L181 L199 L200 A203 T226 F227 D228 K232 T233	V123-I230 HydrophobicContact CG1-CD1 4.37Å; V123-I230 HydrophobicContact CG1-CG2 3.76Å; V151-I230 HydrophobicContact CB-CG2 3.99Å; V151-I230 HydrophobicContact CG1-CG2 3.65Å; V151-I230 HydrophobicContact CG2-CG2 3.25Å; L181-I230 HydrophobicContact CD1-CG1 4.01Å; L199-I230 HydrophobicContact CB-CD1 4.33Å; L200-I230 HydrophobicContact CD2-CD1 4.02Å; L200-I230 HydrophobicContact CD2-CG1 4.18Å; A203-I230 HydrophobicContact CB-CD1 4.38Å; T226-I230 HydrophobicContact CG2-CD1 4.31Å; T226-I230 WeakPolarHBondContact O-CG1 3.27Å; T226-I230 PolarHBondContact O-N 2.84Å; T226-I230 VanDerWaalsContact O-N 3.08Å; F227-I230 PolarHBondContact O-N 3.48Å; D228-I230 VanDerWaalsContact C-N 3.33Å; I230-K232 PolarHBondContact O-N 3.49Å; I230-T233 VanDerWaalsContact O-CB 3.31Å; I230-T233 WeakPolarHBondContact O-CB 3.37Å; I230-T233 VanDerWaalsContact O-CG2 3.23Å; I230-T233 WeakPolarHBondContact O-CG2 3.21Å; I230-T233 PolarHBondContact O-N 3.36Å; I230-T233 VanDerWaalsContact O-N 3.09Å; I230-T233 PolarHBondContact O-OG1 3.14Å
231	S	94.3	Very high	94.6	Very high	31 Å²	31	52.2 Å²	52.2	22%	0.217	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-34.8	179.3	63.3	0	0	0	0	112.6	F227 D228 T233	F227-S231 PolarHBondContact O-N 3.32Å; D228-S231 WeakPolarHBondContact CA-OG 3.25Å; D228-S231 PolarHBondContact O-OG 3.48Å; S231-T233 PolarHBondContact O-N 2.88Å
232	K	95.1	Very high	94.5	Very high	77 Å²	77	57.8 Å²	57.8	34%	0.335	28%	0.283	S	S	.	.	H	α-helix	trans	-70.9	-7.6	177.9	-73.9	170.9	178.9	166	0	114.6	D228 I230 Y234 S235 Y236	D228-K232 WeakPolarHBondContact O-CD 3.36Å; D228-K232 VanDerWaalsContact O-CG 3.26Å; D228-K232 WeakPolarHBondContact O-CG 3.47Å; D228-K232 PolarHBondContact O-N 3.16Å; D228-K232 VanDerWaalsContact OD1-CE 3.24Å; D228-K232 WeakPolarHBondContact OD1-CE 3.38Å; D228-K232 IonicContact OD1-NZ 3.98Å; D228-K232 PolarHBondContact OD1-NZ 3.45Å; D228-K232 WeakPolarHBondContact OD2-CE 3.43Å; D228-K232 IonicContact OD2-NZ 3.04Å; D228-K232 PolarHBondContact OD2-NZ 3.41Å; I230-K232 PolarHBondContact O-N 3.49Å; K232-Y234 VanDerWaalsContact C-N 3.29Å; K232-Y234 PolarHBondContact O-N 3.12Å; K232-S235 PolarHBondContact O-N 2.84Å; K232-S235 VanDerWaalsContact O-N 3.12Å; K232-Y236 PolarHBondContact O-N 2.87Å
233	T	94.2	Very high	94.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-36.3	177.7	58.3	0	0	0	0	112.7	R152 V170 I230 S231	R152-T233 PolarHBondContact N-OG1 2.89Å; R152-T233 VanDerWaalsContact N-OG1 3.11Å; V170-T233 HydrophobicContact CG1-CG2 4.33Å; V170-T233 HydrophobicContact CG2-CG2 4.12Å; I230-T233 VanDerWaalsContact O-CB 3.31Å; I230-T233 WeakPolarHBondContact O-CB 3.37Å; I230-T233 VanDerWaalsContact O-CG2 3.23Å; I230-T233 WeakPolarHBondContact O-CG2 3.21Å; I230-T233 PolarHBondContact O-N 3.36Å; I230-T233 VanDerWaalsContact O-N 3.09Å; I230-T233 PolarHBondContact O-OG1 3.14Å; S231-T233 PolarHBondContact O-N 2.88Å
234	Y	92.8	Very high	94.2	Very high	124 Å²	124	74.6 Å²	74.6	49%	0.486	36%	0.359	S	S	.	.	H	α-helix	trans	-83	-23.8	171.9	-83.6	-72.9	0	0	0	113.4	P150 R152 K232 Y236	P150-Y234 HydrophobicContact CB-CD2 4.27Å; P150-Y234 HydrophobicContact CB-CE2 3.77Å; P150-Y234 HydrophobicContact CG-CD2 4.12Å; P150-Y234 HydrophobicContact CG-CE2 4.09Å; P150-Y234 WeakPolarHBondContact O-CD2 3.15Å; R152-Y234 HydrophobicContact CB-CD1 3.93Å; R152-Y234 HydrophobicContact CB-CD2 3.76Å; R152-Y234 HydrophobicContact CB-CE1 3.76Å; R152-Y234 HydrophobicContact CB-CE2 3.62Å; R152-Y234 HydrophobicContact CB-CG 3.91Å; R152-Y234 HydrophobicContact CG-CD1 4.2Å; R152-Y234 HydrophobicContact CG-CE1 3.84Å; K232-Y234 VanDerWaalsContact C-N 3.29Å; K232-Y234 PolarHBondContact O-N 3.12Å; Y234-Y236 PolarHBondContact O-N 2.85Å
235	S	91.8	Very high	94	Very high	97 Å²	97	75.2 Å²	75.2	68%	0.678	37%	0.37	S	S	*	.	H	α-helix	trans	-70.7	-18	176.7	-49.9	0	0	0	0	113.2	K232	K232-S235 PolarHBondContact O-N 2.84Å; K232-S235 VanDerWaalsContact O-N 3.12Å
236	Y	91.6	Very high	93.8	Very high	130 Å²	130	81.4 Å²	81.4	51%	0.51	41%	0.408	S	S	.	.	S	Bend	trans	-82.9	116.8	179.7	-154.8	-88.4	0	0	0	110.9	C168 K232 Y234 T238	C168-Y236 HydrophobicContact CB-CD1 4.14Å; C168-Y236 HydrophobicContact CB-CE1 4.25Å; C168-Y236 WeakPolarHBondContact SG-CD1 2.96Å; K232-Y236 PolarHBondContact O-N 2.87Å; Y234-Y236 PolarHBondContact O-N 2.85Å; Y236-T238 HydrophobicContact CD1-CG2 3.9Å; Y236-T238 HydrophobicContact CE1-CG2 4.49Å
237	L	93.2	Very high	93.6	Very high	116 Å²	116	90.4 Å²	90.4	61%	0.607	45%	0.447	S	S	*	.			trans	-75.6	128.3	176.1	-173.9	65.5	0	0	0	110.1	L241	L237-L241 HydrophobicContact CD1-CB 4.08Å
238	T	91.7	Very high	93.5	Very high	17 Å²	17	92.9 Å²	92.9	10%	0.104	47%	0.465	C	S	.	.			trans	-126.7	154.6	-179.8	48.1	0	0	0	0	109.6	R152 Y236 D240 L241 W242	R152-T238 PolarHBondContact NH1-OG1 2.79Å; R152-T238 PolarHBondContact NH2-OG1 3.46Å; Y236-T238 HydrophobicContact CD1-CG2 3.9Å; Y236-T238 HydrophobicContact CE1-CG2 4.49Å; T238-D240 WeakPolarHBondContact CB-OD1 3.49Å; T238-D240 PolarHBondContact O-N 2.86Å; T238-D240 VanDerWaalsContact O-N 3.1Å; T238-D240 PolarHBondContact OG1-OD1 3Å; T238-L241 WeakPolarHBondContact O-CA 3.17Å; T238-L241 WeakPolarHBondContact O-CB 3.46Å; T238-L241 PolarHBondContact O-N 3.04Å; T238-W242 VanDerWaalsContact O-CD1 3.31Å
239	P	92.9	Very high	93.3	Very high	92 Å²	92	97.5 Å²	97.5	60%	0.597	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-57.6	-27	-175	-28.4	36.1	0	0	0	115.9	L241 W242	P239-L241 PolarHBondContact O-N 3.02Å; P239-W242 HydrophobicContact CB-CD2 4.14Å; P239-W242 HydrophobicContact CB-CE3 4.28Å; P239-W242 HydrophobicContact CB-CZ2 4.37Å; P239-W242 HydrophobicContact CB-CZ3 4.46Å; P239-W242 HydrophobicContact CG-CH2 4.27Å; P239-W242 HydrophobicContact CG-CZ2 3.99Å; P239-W242 WeakPolarHBondContact O-CB 3.38Å; P239-W242 PolarHBondContact O-N 3.43Å
240	D	90.1	Very high	93.2	Very high	91 Å²	91	99.1 Å²	99.1	49%	0.487	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-66.7	-18.5	173.8	62.1	-32	0	0	0	113.7	R152 T238	R152-D240 IonicContact CZ-OD2 3.99Å; R152-D240 IonicContact NH2-OD1 2.62Å; R152-D240 PolarHBondContact NH2-OD1 3.28Å; R152-D240 IonicContact NH2-OD2 2.63Å; R152-D240 PolarHBondContact NH2-OD2 3Å; T238-D240 WeakPolarHBondContact CB-OD1 3.49Å; T238-D240 PolarHBondContact O-N 2.86Å; T238-D240 VanDerWaalsContact O-N 3.1Å; T238-D240 PolarHBondContact OG1-OD1 3Å
241	L	92	Very high	93.1	Very high	83 Å²	83	99.3 Å²	99.3	44%	0.435	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-103	8.1	176.4	-61.8	-179.8	0	0	0	113.3	R152 L237 T238 P239 K243	R152-L241 VanDerWaalsContact NH1-CD1 3.27Å; L237-L241 HydrophobicContact CD1-CB 4.08Å; T238-L241 WeakPolarHBondContact O-CA 3.17Å; T238-L241 WeakPolarHBondContact O-CB 3.46Å; T238-L241 PolarHBondContact O-N 3.04Å; P239-L241 PolarHBondContact O-N 3.02Å; L241-K243 PolarHBondContact O-N 2.88Å
242	W	94.4	Very high	93.1	Very high	178 Å²	178	101.2 Å²	101.2	67%	0.674	50%	0.499	S	S	*	.			trans	-75.7	-10.7	178	-70.8	-0.7	0	0	0	114.2	T238 P239 E244	T238-W242 VanDerWaalsContact O-CD1 3.31Å; P239-W242 HydrophobicContact CB-CD2 4.14Å; P239-W242 HydrophobicContact CB-CE3 4.28Å; P239-W242 HydrophobicContact CB-CZ2 4.37Å; P239-W242 HydrophobicContact CB-CZ3 4.46Å; P239-W242 HydrophobicContact CG-CH2 4.27Å; P239-W242 HydrophobicContact CG-CZ2 3.99Å; P239-W242 WeakPolarHBondContact O-CB 3.38Å; P239-W242 PolarHBondContact O-N 3.43Å; W242-E244 PolarHBondContact O-N 2.89Å
243	K	94.1	Very high	93	Very high	178 Å²	178	103.2 Å²	103.2	77%	0.774	51%	0.51	S	S	*	.	S	Bend	trans	-60.7	137.4	175.1	-64.9	-175.6	179.3	-176	0	109.4	L241 T245	L241-K243 PolarHBondContact O-N 2.88Å; K243-T245 PolarHBondContact O-N 3.26Å
244	E	93.1	Very high	93	Very high	192 Å²	192	109 Å²	109	90%	0.897	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-56.3	131.9	177.8	-68	-177	173.8	0	0	110.8	W242	W242-E244 PolarHBondContact O-N 2.89Å
245	T	93.1	Very high	93	Very high	100 Å²	100	105 Å²	105	61%	0.613	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-80.8	130.6	-178.5	53.9	0	0	0	0	110.2	K243 F247	K243-T245 PolarHBondContact O-N 3.26Å; T245-F247 PolarHBondContact O-N 3.25Å
246	V	93.6	Very high	93.1	Very high	130 Å²	130	104 Å²	104	79%	0.788	51%	0.511	S	S	*	.			trans	-80.4	115.9	170	-178.6	0	0	0	0	108.9	T248	V246-T248 PolarHBondContact O-N 2.82Å
247	F	92.3	Very high	93.1	Very high	188 Å²	188	103.5 Å²	103.5	83%	0.825	52%	0.518	S	S	*	.			trans	-76	113.9	176.1	-62.1	-69.1	0	0	0	110.1	T245	T245-F247 PolarHBondContact O-N 3.25Å
248	T	93.8	Very high	93	Very high	86 Å²	86	100.1 Å²	100.1	53%	0.528	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-91.4	166.6	171.3	46.9	0	0	0	0	110.3	Y70 V246	Y70-T248 WeakPolarHBondContact OH-CB 3.39Å; Y70-T248 PolarHBondContact OH-O 3.02Å; Y70-T248 PolarHBondContact OH-OG1 2.94Å; V246-T248 PolarHBondContact O-N 2.82Å
249	K	93.8	Very high	92.9	Very high	137 Å²	137	100 Å²	100	60%	0.596	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-74.7	136.6	178.3	-68.1	179.9	-178.1	175.6	0	109.8	Y70	Y70-K249 PolarHBondContact OH-N 3.4Å; Y70-K249 PolarHBondContact OH-O 2.75Å
250	S	93.8	Very high	92.7	Very high	34 Å²	34	99 Å²	99	24%	0.238	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-62.2	147.8	176.2	75.6	0	0	0	0	111.6	Y252 Q253 E254	S250-Y252 PolarHBondContact O-N 3.27Å; S250-Y252 VanDerWaalsContact O-N 3.09Å; S250-Q253 WeakPolarHBondContact O-CA 3.04Å; S250-Q253 WeakPolarHBondContact O-CB 3.18Å; S250-Q253 PolarHBondContact O-N 3.2Å; S250-Q253 WeakPolarHBondContact OG-CB 3.31Å; S250-Q253 PolarHBondContact OG-N 3.19Å; S250-E254 PolarHBondContact O-N 2.75Å
251	P	94.1	Very high	92.6	Very high	5 Å²	5	102.9 Å²	102.9	3%	0.032	51%	0.509	C	S	.	.	H	α-helix	trans	-55.8	-31.3	176.8	-28.3	33.8	0	0	0	113	L55 I61 Y70 F255	L55-P251 HydrophobicContact CD1-CB 4.31Å; I61-P251 HydrophobicContact CD1-CB 3.97Å; I61-P251 HydrophobicContact CD1-CG 4.4Å; I61-P251 HydrophobicContact CG1-CB 4.07Å; I61-P251 HydrophobicContact CG1-CG 4.45Å; Y70-P251 HydrophobicContact CD2-CG 4.01Å; Y70-P251 VanDerWaalsContact CE2-CD 3.45Å; Y70-P251 HydrophobicContact CE2-CG 4.24Å; P251-F255 HydrophobicContact CB-CD2 4.4Å; P251-F255 WeakPolarHBondContact O-CB 3.39Å; P251-F255 VanDerWaalsContact O-CD2 3.29Å; P251-F255 WeakPolarHBondContact O-CD2 3.39Å; P251-F255 PolarHBondContact O-N 2.93Å
252	Y	93.4	Very high	91.9	Very high	70 Å²	70	100.9 Å²	100.9	28%	0.275	50%	0.501	S	S	.	.	H	α-helix	trans	-68.8	-36.4	175.4	-66.8	-29.6	0	0	0	112.9	K51 L55 L72 S250 T256 L259	K51-Y252 HydrophobicContact CB-CD1 4.43Å; K51-Y252 HydrophobicContact CB-CE1 3.86Å; L55-Y252 HydrophobicContact CD1-CD1 3.88Å; L55-Y252 HydrophobicContact CD1-CE1 4.13Å; L72-Y252 HydrophobicContact CD1-CE2 4.21Å; L72-Y252 HydrophobicContact CD2-CD2 4.14Å; L72-Y252 HydrophobicContact CD2-CE2 3.61Å; L72-Y252 HydrophobicContact CG-CE2 4.49Å; S250-Y252 PolarHBondContact O-N 3.27Å; S250-Y252 VanDerWaalsContact O-N 3.09Å; Y252-T256 PolarHBondContact O-N 3.09Å; Y252-T256 PolarHBondContact O-OG1 3.36Å; Y252-L259 HydrophobicContact CD1-CD1 4.15Å
253	Q	93.7	Very high	90.7	Very high	120 Å²	120	97.6 Å²	97.6	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-74.5	-45.2	176.8	-173.4	178.6	4.2	0	0	111.2	S250 T256	S250-Q253 WeakPolarHBondContact O-CA 3.04Å; S250-Q253 WeakPolarHBondContact O-CB 3.18Å; S250-Q253 PolarHBondContact O-N 3.2Å; S250-Q253 WeakPolarHBondContact OG-CB 3.31Å; S250-Q253 PolarHBondContact OG-N 3.19Å; Q253-T256 PolarHBondContact O-N 3.2Å; Q253-T256 PolarHBondContact O-OG1 3.33Å
254	E	93.6	Very high	88.9	Confident	120 Å²	120	93.2 Å²	93.2	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-64	-42.5	-178.9	-172.8	174.9	173.3	0	0	112.3	S250	S250-E254 PolarHBondContact O-N 2.75Å
255	F	93.9	Very high	87.1	Confident	41 Å²	41	92.7 Å²	92.7	18%	0.18	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	27.2	-177.7	-56.2	-63.7	0	0	0	113.2	L55 K60 P251 D257 H258 L259	L55-F255 HydrophobicContact CD2-CB 3.51Å; L55-F255 HydrophobicContact CD2-CD2 4.21Å; L55-F255 HydrophobicContact CD2-CG 4.06Å; K60-F255 HydrophobicContact CB-CD1 4.16Å; K60-F255 HydrophobicContact CB-CD2 3.9Å; K60-F255 HydrophobicContact CB-CE1 4.13Å; K60-F255 HydrophobicContact CB-CE2 3.87Å; K60-F255 HydrophobicContact CB-CG 4.06Å; K60-F255 HydrophobicContact CB-CZ 3.99Å; K60-F255 HydrophobicContact CD-CD1 4.06Å; K60-F255 HydrophobicContact CD-CE1 3.99Å; K60-F255 HydrophobicContact CG-CD1 4.21Å; K60-F255 HydrophobicContact CG-CE1 4.41Å; K60-F255 HydrophobicContact CG-CG 4.36Å; K60-F255 WeakPolarHBondContact O-CE2 3.41Å; P251-F255 HydrophobicContact CB-CD2 4.4Å; P251-F255 WeakPolarHBondContact O-CB 3.39Å; P251-F255 VanDerWaalsContact O-CD2 3.29Å; P251-F255 WeakPolarHBondContact O-CD2 3.39Å; P251-F255 PolarHBondContact O-N 2.93Å; F255-D257 PolarHBondContact O-N 3.31Å; F255-H258 HydrophobicContact CB-CB 4.31Å; F255-H258 PolarHBondContact O-N 2.87Å; F255-L259 WeakPolarHBondContact O-CG 3.42Å; F255-L259 PolarHBondContact O-N 3.12Å
256	T	93	Very high	85	Confident	75 Å²	75	94.5 Å²	94.5	46%	0.46	48%	0.481	S	S	.	.	H	α-helix	trans	-56.9	-46.5	178.7	-71.3	0	0	0	0	111.9	Y252 Q253 H258 L259 A260	Y252-T256 PolarHBondContact O-N 3.09Å; Y252-T256 PolarHBondContact O-OG1 3.36Å; Q253-T256 PolarHBondContact O-N 3.2Å; Q253-T256 PolarHBondContact O-OG1 3.33Å; T256-H258 VanDerWaalsContact C-N 3.31Å; T256-H258 PolarHBondContact O-N 3.03Å; T256-L259 PolarHBondContact O-N 2.61Å; T256-A260 PolarHBondContact O-N 2.9Å
257	D	91.8	Very high	82.4	Confident	120 Å²	120	92.6 Å²	92.6	64%	0.642	47%	0.474	S	S	*	.	H	α-helix	trans	-64	-37.9	-178.9	-61.7	-29.1	0	0	0	112.3	F255 A260 K261	F255-D257 PolarHBondContact O-N 3.31Å; D257-A260 PolarHBondContact O-N 2.62Å; D257-K261 WeakPolarHBondContact O-CG 3.41Å; D257-K261 PolarHBondContact O-N 3.17Å; D257-K261 VanDerWaalsContact O-N 3.1Å
258	H	90.9	Very high	80.1	Confident	45 Å²	45	88.3 Å²	88.3	21%	0.208	46%	0.463	C	S	.	.	H	α-helix	trans	-67	-42.7	176.5	-179.3	-98.7	0	0	0	111.4	D58 F255 T256 A260 K261 T262	D58-H258 IonicContact OD2-CE1 3.14Å; D58-H258 PolarHBondContact OD2-CE1 2.99Å; D58-H258 IonicContact OD2-NE2 3.79Å; F255-H258 HydrophobicContact CB-CB 4.31Å; F255-H258 PolarHBondContact O-N 2.87Å; T256-H258 VanDerWaalsContact C-N 3.31Å; T256-H258 PolarHBondContact O-N 3.03Å; H258-A260 VanDerWaalsContact C-N 3.29Å; H258-A260 PolarHBondContact O-N 3.32Å; H258-K261 PolarHBondContact O-N 2.96Å; H258-T262 WeakPolarHBondContact O-CG2 3.49Å; H258-T262 PolarHBondContact O-N 2.98Å; H258-T262 PolarHBondContact O-OG1 2.74Å
259	L	90.1	Very high	77.5	Confident	15 Å²	15	91.9 Å²	91.9	8%	0.079	47%	0.474	C	S	.	.	H	α-helix	trans	-63.7	-34.9	174.7	-75.2	174.1	0	0	0	112.3	K51 L55 Y252 F255 T256 T262 H263	K51-L259 HydrophobicContact CB-CD1 4.2Å; K51-L259 HydrophobicContact CB-CD2 3.96Å; K51-L259 HydrophobicContact CD-CD1 4.29Å; K51-L259 HydrophobicContact CG-CD1 4.42Å; K51-L259 HydrophobicContact CG-CD2 4.28Å; L55-L259 HydrophobicContact CD1-CD1 4.24Å; L55-L259 HydrophobicContact CD2-CD1 4.5Å; L55-L259 HydrophobicContact CD2-CD2 4.01Å; L55-L259 HydrophobicContact CD2-CG 4.01Å; L55-L259 HydrophobicContact CG-CD1 4.5Å; L55-L259 HydrophobicContact CG-CD2 4.01Å; L55-L259 HydrophobicContact CG-CG 4.34Å; Y252-L259 HydrophobicContact CD1-CD1 4.15Å; F255-L259 WeakPolarHBondContact O-CG 3.42Å; F255-L259 PolarHBondContact O-N 3.12Å; T256-L259 PolarHBondContact O-N 2.61Å; L259-T262 WeakPolarHBondContact CA-OG1 3.36Å; L259-T262 PolarHBondContact O-OG1 2.67Å; L259-H263 WeakPolarHBondContact O-CB 3.3Å; L259-H263 PolarHBondContact O-N 3.34Å
260	A	89.1	Confident	75	Confident	71 Å²	71	97.2 Å²	97.2	59%	0.587	49%	0.49	S	S	*	.	H	α-helix	trans	-65.6	-44	175.3	0	0	0	0	0	111.7	T256 D257 H258 H263	T256-A260 PolarHBondContact O-N 2.9Å; D257-A260 PolarHBondContact O-N 2.62Å; H258-A260 VanDerWaalsContact C-N 3.29Å; H258-A260 PolarHBondContact O-N 3.32Å; A260-H263 PolarHBondContact O-N 3.04Å
261	K	86.8	Confident	72.3	Confident	172 Å²	172	98.6 Å²	98.6	75%	0.748	51%	0.51	S	S	*	.	H	α-helix	trans	-66.3	-41.9	178.1	-70	173.2	-175.7	179.3	0	113.1	D257 H258 H263	D257-K261 WeakPolarHBondContact O-CG 3.41Å; D257-K261 PolarHBondContact O-N 3.17Å; D257-K261 VanDerWaalsContact O-N 3.1Å; H258-K261 PolarHBondContact O-N 2.96Å; K261-H263 VanDerWaalsContact C-N 3.34Å
262	T	78.7	Confident	69.7	Low	42 Å²	42	106.6 Å²	106.6	26%	0.258	55%	0.547	S	S	.	.	H	α-helix	trans	-82.9	-10.1	-180	57.2	0	0	0	0	113.2	R54 H258 L259 T264	R54-T262 PolarHBondContact NH1-OG1 3.18Å; H258-T262 WeakPolarHBondContact O-CG2 3.49Å; H258-T262 PolarHBondContact O-N 2.98Å; H258-T262 PolarHBondContact O-OG1 2.74Å; L259-T262 WeakPolarHBondContact CA-OG1 3.36Å; L259-T262 PolarHBondContact O-OG1 2.67Å; T262-T264 PolarHBondContact O-N 3.36Å
263	H	68.4	Low	67.2	Low	108 Å²	108	109.7 Å²	109.7	50%	0.5	57%	0.573	S	S	.	*			trans	-78.6	60.4	171.5	-171.2	-77.6	0	0	0	109.8	L259 A260 K261 R265	L259-H263 WeakPolarHBondContact O-CB 3.3Å; L259-H263 PolarHBondContact O-N 3.34Å; A260-H263 PolarHBondContact O-N 3.04Å; K261-H263 VanDerWaalsContact C-N 3.34Å; H263-R265 PolarHBondContact O-N 3.45Å
264	T	56.7	Low	65.2	Low	86 Å²	86	110.1 Å²	110.1	53%	0.528	58%	0.584	S	S	.	*			trans	-69.9	113.8	164.9	23	0	0	0	0	108	T262 V266	T262-T264 PolarHBondContact O-N 3.36Å; T264-V266 PolarHBondContact O-N 2.99Å
265	R	54.4	Low	63	Low	182 Å²	182	109.9 Å²	109.9	69%	0.687	59%	0.592	S	S	*	*			trans	-57.5	121.8	160.9	-72.1	-179.2	173.5	173.2	-0.9	106.1	H263 S267 V268	H263-R265 PolarHBondContact O-N 3.45Å; R265-S267 WeakPolarHBondContact CB-OG 3.38Å; R265-S267 PolarHBondContact O-N 2.77Å; R265-V268 PolarHBondContact O-N 2.86Å
266	V	48.5	Very low	61.1	Low	137 Å²	137	111.9 Å²	111.9	83%	0.83	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.5	-16.1	177.8	177.3	0	0	0	0	112.8	T264	T264-V266 PolarHBondContact O-N 2.99Å
267	S	40.9	Very low	59.1	Low	90 Å²	90	114.4 Å²	114.4	63%	0.629	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-17.5	175.5	59.4	0	0	0	0	116.4	R265	R265-S267 WeakPolarHBondContact CB-OG 3.38Å; R265-S267 PolarHBondContact O-N 2.77Å
268	V	42.5	Very low	57.4	Low	98 Å²	98	115.5 Å²	115.5	59%	0.594	65%	0.646	S	S	*	*	S	Bend	trans	-89.6	-21.3	-171.8	-177	0	0	0	0	113.4	R265 R270	R265-V268 PolarHBondContact O-N 2.86Å; V268-R270 VanDerWaalsContact C-N 3.32Å; V268-R270 PolarHBondContact O-N 3.5Å
269	Q	39.4	Very low	55.6	Low	162 Å²	162	122.2 Å²	122.2	76%	0.757	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-5.8	-177	-77.6	178.4	-14.8	0	0	114.9	G271	Q269-G271 VanDerWaalsContact C-N 3.32Å
270	R	40.9	Very low	53.9	Low	248 Å²	248	127.6 Å²	127.6	94%	0.936	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-0.4	173	-88.5	-170.5	-173.7	-161.1	1.3	114.6	V268	V268-R270 VanDerWaalsContact C-N 3.32Å; V268-R270 PolarHBondContact O-N 3.5Å
271	G	37.8	Very low	52	Low	64 Å²	64	130.5 Å²	130.5	66%	0.66	74%	0.736	S	S	*	*	S	Bend	trans	-110.6	1.5	-169.6	0	0	0	0	0	117.2	Q269	Q269-G271 VanDerWaalsContact C-N 3.32Å
272	Q	40.1	Very low	50.1	Low	172 Å²	172	128.2 Å²	128.2	80%	0.804	74%	0.735	S	S	*	*			trans	-126.1	69.8	-178	-71.7	-176	-9.7	0	0	111.7
273	T	39.7	Very low	48.4	Very low	136 Å²	136	133.3 Å²	133.3	83%	0.834	76%	0.763	S	S	*	*			trans	-84.2	103.7	146.8	50.9	0	0	0	0	106.5
274	V	51.4	Low	47.1	Very low	128 Å²	128	134.9 Å²	134.9	78%	0.776	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.6	123.9	171.2	-170.8	0	0	0	0	107.1	A276	V274-A276 PolarHBondContact O-N 2.99Å
275	P	47.4	Very low	46.5	Very low	115 Å²	115	138.1 Å²	138.1	75%	0.747	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-66.5	132.1	174.3	26.1	-29.8	0	0	0	108.9
276	A	53.9	Low	45.9	Very low	84 Å²	84	135 Å²	135	69%	0.694	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-59	141.8	176.3	0	0	0	0	0	110.2	V274 T278	V274-A276 PolarHBondContact O-N 2.99Å; A276-T278 PolarHBondContact O-N 3.44Å
277	P	51.1	Low	45.7	Very low	128 Å²	128	134.8 Å²	134.8	83%	0.831	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.4	117.2	175.3	27.5	-30.8	0	0	0	108.9	S279	P277-S279 PolarHBondContact O-N 3.24Å
278	T	56.3	Low	46.1	Very low	142 Å²	142	138.6 Å²	138.6	87%	0.871	82%	0.817	S	S	*	*			trans	-74	112.3	167.6	48.9	0	0	0	0	108.2	A276	A276-T278 PolarHBondContact O-N 3.44Å
279	S	53.3	Low	46.5	Very low	186 Å²	186	142.3 Å²	142.3	100%	1.301	84%	0.837	S	S	*	*			trans	-74.7	0	161.3	52.2	0	0	0	0	111.1	P277	P277-S279 PolarHBondContact O-N 3.24Å

Retrieved 279 of 279 residues in 158.1 ms (Link to these results)

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