A0A077YXN0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YXN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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	38.7	Very low	34.4	Very low	223 Å²	223	160.5 Å²	160.5	100%	1.099	85%	0.854	S	S	*	*				0	47.4	0	-63.3	-170.5	168.5	0	0	109.4
2	D	33.1	Very low	34.4	Very low	148 Å²	148	156.8 Å²	156.8	79%	0.791	84%	0.84	S	S	*	*				51.5	134.2	100.7	-46.3	-46.6	0	0	0	119.4
3	E	37.8	Very low	34.3	Very low	177 Å²	177	158 Å²	158	83%	0.827	85%	0.845	S	S	*	*			trans	88.9	92.6	163.5	-56.8	-171.8	160.5	0	0	115.3
4	E	33	Very low	34.1	Very low	195 Å²	195	153.4 Å²	153.4	91%	0.911	83%	0.832	S	S	*	*				59.9	125.5	70.2	-67	-163.1	150.1	0	0	115.1
5	G	32.2	Very low	34.3	Very low	86 Å²	86	152 Å²	152	89%	0.887	83%	0.834	S	S	*	*			trans	111.8	117.1	140.1	0	0	0	0	0	116.6
6	G	36.2	Very low	34.5	Very low	69 Å²	69	150.7 Å²	150.7	71%	0.711	83%	0.832	S	S	*	*			trans	137.7	45.6	156.1	0	0	0	0	0	116.9	H8	G6-H8 PolarHBondContact O-N 3.11Å; G6-H8 VanDerWaalsContact O-N 3.11Å
7	G	31.6	Very low	34.3	Very low	84 Å²	84	152.2 Å²	152.2	87%	0.866	83%	0.828	S	S	*	*			trans	-68.1	103.2	171.1	0	0	0	0	0	112.2	R9	G7-R9 PolarHBondContact O-N 3.35Å
8	H	37.7	Very low	34.1	Very low	168 Å²	168	153.8 Å²	153.8	78%	0.778	83%	0.828	S	S	*	*			trans	-77.6	107.2	160.2	-77.6	-71.2	0	0	0	109.4	G6 Y10	G6-H8 PolarHBondContact O-N 3.11Å; G6-H8 VanDerWaalsContact O-N 3.11Å; H8-Y10 PolarHBondContact O-N 3.38Å
9	R	32.9	Very low	34.3	Very low	234 Å²	234	152 Å²	152	88%	0.883	83%	0.829	S	S	*	*			trans	-73.9	99.3	179.8	-154.2	178	-170	180	1.6	108.7	G7 E11	G7-R9 PolarHBondContact O-N 3.35Å; R9-E11 PolarHBondContact O-N 3.2Å
10	Y	37.2	Very low	34.4	Very low	199 Å²	199	154.5 Å²	154.5	78%	0.78	83%	0.831	S	S	*	*			trans	-76.3	109.8	162.5	-67.3	-86.5	0	0	0	107.7	H8 V12	H8-Y10 PolarHBondContact O-N 3.38Å; Y10-V12 PolarHBondContact O-N 2.9Å
11	E	28.5	Very low	34.5	Very low	183 Å²	183	150.5 Å²	150.5	86%	0.855	83%	0.827	S	S	*	*			trans	-67.1	87.6	164.9	-85	-174.9	151.5	0	0	108.8	R9 L13	R9-E11 PolarHBondContact O-N 3.2Å; E11-L13 PolarHBondContact O-N 3.29Å
12	V	34	Very low	34.5	Very low	115 Å²	115	149.3 Å²	149.3	70%	0.697	82%	0.816	S	S	*	*			trans	-77	104.3	160.7	-178.8	0	0	0	0	106.4	Y10 S14	Y10-V12 PolarHBondContact O-N 2.9Å; V12-S14 PolarHBondContact O-N 3.37Å; V12-S14 PolarHBondContact O-OG 2.84Å
13	L	32.7	Very low	35	Very low	173 Å²	173	154.4 Å²	154.4	91%	0.906	82%	0.824	S	S	*	*			trans	-45.7	99	169.3	-78	157.6	0	0	0	109.8	E11	E11-L13 PolarHBondContact O-N 3.29Å
14	S	32.5	Very low	35.5	Very low	94 Å²	94	151.1 Å²	151.1	66%	0.657	82%	0.816	S	S	*	*			trans	-84.5	126	171.8	-63.6	0	0	0	0	108.1	V12 T16	V12-S14 PolarHBondContact O-N 3.37Å; V12-S14 PolarHBondContact O-OG 2.84Å; S14-T16 PolarHBondContact O-N 3.23Å
15	P	36.7	Very low	36.3	Very low	132 Å²	132	146.8 Å²	146.8	86%	0.857	80%	0.799	S	S	*	*			trans	-74.3	100.6	176.7	28	-29.2	0	0	0	109	K17	P15-K17 PolarHBondContact O-N 3Å
16	T	36.8	Very low	37.2	Very low	131 Å²	131	153.4 Å²	153.4	80%	0.804	80%	0.797	S	S	*	*			trans	-69.4	110.8	170.8	31.9	0	0	0	0	111.2	S14	S14-T16 PolarHBondContact O-N 3.23Å
17	K	31.1	Very low	38	Very low	177 Å²	177	159.3 Å²	159.3	77%	0.77	80%	0.798	S	S	*	*			trans	24.5	110.5	135.9	-67.4	178.5	176.9	176	0	117.2	P15	P15-K17 PolarHBondContact O-N 3Å
18	H	30.6	Very low	39.1	Very low	180 Å²	180	159.1 Å²	159.1	83%	0.833	78%	0.78	S	S	*	*				162.6	94.9	112.2	-89.6	-67.8	0	0	0	109.8
19	S	38.6	Very low	39.9	Very low	120 Å²	120	154.7 Å²	154.7	84%	0.839	77%	0.765	S	S	*	*			trans	-133	112.4	157	171.7	0	0	0	0	108	G21	S19-G21 PolarHBondContact O-N 3.4Å
20	K	35.5	Very low	41	Very low	201 Å²	201	150.7 Å²	150.7	87%	0.874	76%	0.758	S	S	*	*			trans	-67.4	119.5	172.6	-73.2	177.2	175.6	175.9	0	108.2
21	G	36.7	Very low	42	Very low	72 Å²	72	146.6 Å²	146.6	74%	0.742	75%	0.749	S	S	*	*			trans	48.5	104.4	147.7	0	0	0	0	0	118.6	S19	S19-G21 PolarHBondContact O-N 3.4Å
22	K	38.7	Very low	43.5	Very low	198 Å²	198	142 Å²	142	86%	0.861	73%	0.733	S	S	*	*				-145.9	121.5	122.4	-101.6	174	-174.5	179.5	0	106.9	T24	K22-T24 PolarHBondContact O-N 2.83Å
23	R	43.5	Very low	44.7	Very low	255 Å²	255	141 Å²	141	96%	0.962	73%	0.728	S	S	*	*			trans	-59.3	94.7	163.9	-92.9	178	170.2	159.6	-3.7	106	D25	R23-D25 VanDerWaalsContact C-N 3.31Å; R23-D25 PolarHBondContact O-N 3.31Å
24	T	48.7	Very low	46.1	Very low	108 Å²	108	135.3 Å²	135.3	66%	0.663	71%	0.705	S	S	*	*			trans	-66.6	102.4	161.4	33.8	0	0	0	0	105.7	K22 R26	K22-T24 PolarHBondContact O-N 2.83Å; T24-R26 PolarHBondContact O-N 3.03Å
25	D	50.1	Low	47.7	Very low	103 Å²	103	134.7 Å²	134.7	55%	0.551	70%	0.697	S	S	*	*			trans	-51.4	127.5	178.5	-154.4	-15.1	0	0	0	108.2	R23 R27 T28	R23-D25 VanDerWaalsContact C-N 3.31Å; R23-D25 PolarHBondContact O-N 3.31Å; D25-R27 PolarHBondContact O-N 3Å; D25-T28 PolarHBondContact O-N 3.03Å; D25-T28 PolarHBondContact O-OG1 2.74Å
26	R	52	Low	48.9	Very low	226 Å²	226	131.1 Å²	131.1	85%	0.853	68%	0.679	S	S	*	*	H	α-helix	trans	-51.8	-27.9	-177.4	-104.5	-179.9	171.7	-179.7	-2.9	111.6	T24 M30	T24-R26 PolarHBondContact O-N 3.03Å; R26-M30 PolarHBondContact O-N 3.36Å
27	R	52.1	Low	50.2	Low	193 Å²	193	127.4 Å²	127.4	73%	0.728	66%	0.661	S	S	*	*	H	α-helix	trans	-61.3	-40.4	172.5	-80.4	-178.9	169.3	179.4	-3.1	113.6	D25 M30 L31	D25-R27 PolarHBondContact O-N 3Å; R27-M30 PolarHBondContact O-N 3.39Å; R27-L31 VanDerWaalsContact O-CB 3.32Å; R27-L31 WeakPolarHBondContact O-CB 3.33Å; R27-L31 PolarHBondContact O-N 2.91Å
28	T	54.3	Low	52	Low	80 Å²	80	122.7 Å²	122.7	49%	0.491	65%	0.647	S	S	.	*	H	α-helix	trans	-71.4	-36.3	-178.5	-38.8	0	0	0	0	111.9	D25 L31 T32	D25-T28 PolarHBondContact O-N 3.03Å; D25-T28 PolarHBondContact O-OG1 2.74Å; T28-L31 PolarHBondContact O-N 3.48Å; T28-T32 PolarHBondContact O-N 3.06Å; T28-T32 PolarHBondContact O-OG1 2.85Å
29	V	55.8	Low	53.6	Low	75 Å²	75	117.7 Å²	117.7	46%	0.455	63%	0.63	S	S	.	*	H	α-helix	trans	-69.4	-42.8	174.1	-178	0	0	0	0	110.7	L31 T32 V33	V29-L31 PolarHBondContact O-N 2.94Å; V29-T32 WeakPolarHBondContact CA-OG1 3.22Å; V29-T32 PolarHBondContact O-N 3.45Å; V29-T32 PolarHBondContact O-OG1 3.41Å; V29-V33 WeakPolarHBondContact O-CG2 3.36Å; V29-V33 PolarHBondContact O-N 2.78Å
30	M	55.6	Low	55	Low	149 Å²	149	115.9 Å²	115.9	73%	0.734	61%	0.614	S	S	*	*	H	α-helix	trans	-62.2	-41.2	172.9	-99.3	-172.5	165.6	0	0	112.4	R26 R27 V33 A34	R26-M30 PolarHBondContact O-N 3.36Å; R27-M30 PolarHBondContact O-N 3.39Å; M30-V33 PolarHBondContact O-N 3.38Å; M30-A34 VanDerWaalsContact O-CB 3.22Å; M30-A34 WeakPolarHBondContact O-CB 3.35Å; M30-A34 PolarHBondContact O-N 3.46Å
31	L	56.7	Low	56.6	Low	113 Å²	113	108.9 Å²	108.9	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-63.2	-41.9	176.6	-99.6	144.9	0	0	0	111.9	R27 T28 V29 A34 V35	R27-L31 VanDerWaalsContact O-CB 3.32Å; R27-L31 WeakPolarHBondContact O-CB 3.33Å; R27-L31 PolarHBondContact O-N 2.91Å; T28-L31 PolarHBondContact O-N 3.48Å; V29-L31 PolarHBondContact O-N 2.94Å; L31-A34 PolarHBondContact O-N 2.87Å; L31-V35 WeakPolarHBondContact O-CB 3.39Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 3.48Å
32	T	61	Low	58.1	Low	87 Å²	87	109 Å²	109	53%	0.534	58%	0.576	S	S	.	*	H	α-helix	trans	-68.8	-38.9	177.8	33.3	0	0	0	0	112.5	T28 V29 V35 A36	T28-T32 PolarHBondContact O-N 3.06Å; T28-T32 PolarHBondContact O-OG1 2.85Å; V29-T32 WeakPolarHBondContact CA-OG1 3.22Å; V29-T32 PolarHBondContact O-N 3.45Å; V29-T32 PolarHBondContact O-OG1 3.41Å; T32-V35 PolarHBondContact O-N 2.98Å; T32-A36 WeakPolarHBondContact O-CB 3.39Å; T32-A36 PolarHBondContact O-N 2.9Å
33	V	59.5	Low	59.7	Low	95 Å²	95	104.4 Å²	104.4	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-66.3	-41.3	173.2	174.5	0	0	0	0	111.3	V29 M30 A36 A37	V29-V33 WeakPolarHBondContact O-CG2 3.36Å; V29-V33 PolarHBondContact O-N 2.78Å; M30-V33 PolarHBondContact O-N 3.38Å; V33-A36 PolarHBondContact O-N 3.44Å; V33-A37 WeakPolarHBondContact O-CB 3.3Å; V33-A37 PolarHBondContact O-N 3.5Å
34	A	61.9	Low	60.9	Low	52 Å²	52	96.5 Å²	96.5	43%	0.43	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-42.7	177	0	0	0	0	0	111.9	M30 L31 A37 T38	M30-A34 VanDerWaalsContact O-CB 3.22Å; M30-A34 WeakPolarHBondContact O-CB 3.35Å; M30-A34 PolarHBondContact O-N 3.46Å; L31-A34 PolarHBondContact O-N 2.87Å; A34-A37 PolarHBondContact O-N 2.86Å; A34-T38 WeakPolarHBondContact O-CG2 3.34Å; A34-T38 PolarHBondContact O-N 3.48Å; A34-T38 PolarHBondContact O-OG1 2.98Å; A34-T38 VanDerWaalsContact O-OG1 3.08Å
35	V	65.4	Low	62.1	Low	82 Å²	82	96.1 Å²	96.1	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-66.1	-40.5	175.7	172.4	0	0	0	0	111.1	L31 T32 T38 V39	L31-V35 WeakPolarHBondContact O-CB 3.39Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 3.48Å; T32-V35 PolarHBondContact O-N 2.98Å; V35-T38 WeakPolarHBondContact CA-OG1 3.33Å; V35-T38 PolarHBondContact O-N 3.38Å; V35-T38 PolarHBondContact O-OG1 2.93Å; V35-V39 HydrophobicContact CG1-CG2 4.29Å; V35-V39 WeakPolarHBondContact O-CB 3.18Å; V35-V39 WeakPolarHBondContact O-CG2 3.18Å; V35-V39 PolarHBondContact O-N 2.91Å
36	A	62.6	Low	63.1	Low	57 Å²	57	95.6 Å²	95.6	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-62.9	-44.3	175.5	0	0	0	0	0	111.3	T32 V33 V39 T40	T32-A36 WeakPolarHBondContact O-CB 3.39Å; T32-A36 PolarHBondContact O-N 2.9Å; V33-A36 PolarHBondContact O-N 3.44Å; A36-V39 PolarHBondContact O-N 2.93Å; A36-T40 PolarHBondContact O-N 3.02Å; A36-T40 PolarHBondContact O-OG1 3.46Å
37	A	64.8	Low	63.8	Low	52 Å²	52	87.1 Å²	87.1	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-42.2	178.1	0	0	0	0	0	112.5	V33 A34 T40 S41	V33-A37 WeakPolarHBondContact O-CB 3.3Å; V33-A37 PolarHBondContact O-N 3.5Å; A34-A37 PolarHBondContact O-N 2.86Å; A37-T40 WeakPolarHBondContact CA-OG1 3.42Å; A37-T40 PolarHBondContact O-N 3.36Å; A37-T40 PolarHBondContact O-OG1 2.88Å; A37-S41 WeakPolarHBondContact O-CB 3.37Å; A37-S41 PolarHBondContact O-N 3.33Å; A37-S41 PolarHBondContact O-OG 2.85Å
38	T	67.8	Low	64.5	Low	78 Å²	78	81.5 Å²	81.5	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-69.2	-37.7	176.6	52.3	0	0	0	0	112.3	A34 V35 S41 V42	A34-T38 WeakPolarHBondContact O-CG2 3.34Å; A34-T38 PolarHBondContact O-N 3.48Å; A34-T38 PolarHBondContact O-OG1 2.98Å; A34-T38 VanDerWaalsContact O-OG1 3.08Å; V35-T38 WeakPolarHBondContact CA-OG1 3.33Å; V35-T38 PolarHBondContact O-N 3.38Å; V35-T38 PolarHBondContact O-OG1 2.93Å; T38-S41 WeakPolarHBondContact CA-OG 3.17Å; T38-S41 PolarHBondContact O-N 2.99Å; T38-S41 PolarHBondContact O-OG 3.31Å; T38-V42 WeakPolarHBondContact O-CB 3.32Å; T38-V42 WeakPolarHBondContact O-CG2 3.25Å; T38-V42 PolarHBondContact O-N 2.97Å
39	V	65.2	Low	65.1	Low	76 Å²	76	81.5 Å²	81.5	46%	0.461	49%	0.494	S	S	.	.	H	α-helix	trans	-65.2	-44.1	174.8	171.9	0	0	0	0	110.4	V35 A36 S41 V42 I43	V35-V39 HydrophobicContact CG1-CG2 4.29Å; V35-V39 WeakPolarHBondContact O-CB 3.18Å; V35-V39 WeakPolarHBondContact O-CG2 3.18Å; V35-V39 PolarHBondContact O-N 2.91Å; A36-V39 PolarHBondContact O-N 2.93Å; V39-S41 PolarHBondContact O-N 3.41Å; V39-V42 PolarHBondContact O-N 3.49Å; V39-I43 HydrophobicContact CG1-CD1 3.85Å; V39-I43 VanDerWaalsContact O-CG1 3.25Å; V39-I43 WeakPolarHBondContact O-CG1 3.42Å; V39-I43 PolarHBondContact O-N 3.42Å
40	T	66.5	Low	65.2	Low	82 Å²	82	82.3 Å²	82.3	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-39.8	175.8	42.1	0	0	0	0	112.8	A36 A37 I43 V44	A36-T40 PolarHBondContact O-N 3.02Å; A36-T40 PolarHBondContact O-OG1 3.46Å; A37-T40 WeakPolarHBondContact CA-OG1 3.42Å; A37-T40 PolarHBondContact O-N 3.36Å; A37-T40 PolarHBondContact O-OG1 2.88Å; T40-I43 PolarHBondContact O-N 2.92Å; T40-V44 VanDerWaalsContact O-CG2 3.3Å; T40-V44 WeakPolarHBondContact O-CG2 3.47Å; T40-V44 PolarHBondContact O-N 3.08Å
41	S	68.7	Low	65.5	Low	54 Å²	54	80 Å²	80	38%	0.378	49%	0.489	S	S	.	.	H	α-helix	trans	-67.9	-38.7	178.4	64.4	0	0	0	0	111.8	A37 T38 V39 V44 I45	A37-S41 WeakPolarHBondContact O-CB 3.37Å; A37-S41 PolarHBondContact O-N 3.33Å; A37-S41 PolarHBondContact O-OG 2.85Å; T38-S41 WeakPolarHBondContact CA-OG 3.17Å; T38-S41 PolarHBondContact O-N 2.99Å; T38-S41 PolarHBondContact O-OG 3.31Å; V39-S41 PolarHBondContact O-N 3.41Å; S41-V44 PolarHBondContact O-N 2.94Å; S41-I45 WeakPolarHBondContact O-CD1 3.44Å; S41-I45 VanDerWaalsContact O-CG1 3.23Å; S41-I45 WeakPolarHBondContact O-CG1 3.5Å; S41-I45 PolarHBondContact O-N 3.34Å
42	V	69.4	Low	65.6	Low	75 Å²	75	77.9 Å²	77.9	46%	0.455	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-42.9	173.5	171.3	0	0	0	0	111.1	T38 V39 V44 I45 I46	T38-V42 WeakPolarHBondContact O-CB 3.32Å; T38-V42 WeakPolarHBondContact O-CG2 3.25Å; T38-V42 PolarHBondContact O-N 2.97Å; V39-V42 PolarHBondContact O-N 3.49Å; V42-V44 PolarHBondContact O-N 3.27Å; V42-I45 PolarHBondContact O-N 2.88Å; V42-I46 HydrophobicContact CG1-CD1 3.7Å; V42-I46 HydrophobicContact CG1-CG1 4.39Å; V42-I46 WeakPolarHBondContact O-CB 3.48Å; V42-I46 VanDerWaalsContact O-CG1 3.27Å; V42-I46 WeakPolarHBondContact O-CG1 3.23Å; V42-I46 PolarHBondContact O-N 3.46Å
43	I	71.2	Confident	65.5	Low	101 Å²	101	77.1 Å²	77.1	52%	0.518	48%	0.479	S	S	.	.	H	α-helix	trans	-62.6	-42.9	176.7	-68.3	165.7	0	0	0	111.2	V39 T40 I46 A47	V39-I43 HydrophobicContact CG1-CD1 3.85Å; V39-I43 VanDerWaalsContact O-CG1 3.25Å; V39-I43 WeakPolarHBondContact O-CG1 3.42Å; V39-I43 PolarHBondContact O-N 3.42Å; T40-I43 PolarHBondContact O-N 2.92Å; I43-I46 PolarHBondContact O-N 3.47Å; I43-A47 WeakPolarHBondContact O-CB 3.41Å; I43-A47 PolarHBondContact O-N 2.98Å
44	V	70.4	Confident	65.3	Low	89 Å²	89	77.2 Å²	77.2	54%	0.539	48%	0.476	S	S	.	.	H	α-helix	trans	-65.4	-39	177.9	173.1	0	0	0	0	111.5	T40 S41 V42 A47 T48	T40-V44 VanDerWaalsContact O-CG2 3.3Å; T40-V44 WeakPolarHBondContact O-CG2 3.47Å; T40-V44 PolarHBondContact O-N 3.08Å; S41-V44 PolarHBondContact O-N 2.94Å; V42-V44 PolarHBondContact O-N 3.27Å; V44-A47 PolarHBondContact O-N 2.89Å; V44-T48 WeakPolarHBondContact O-CB 3.48Å; V44-T48 WeakPolarHBondContact O-CG2 3.25Å; V44-T48 PolarHBondContact O-N 2.71Å; V44-T48 PolarHBondContact O-OG1 2.88Å
45	I	72.9	Confident	65.1	Low	100 Å²	100	77.4 Å²	77.4	51%	0.513	47%	0.474	S	S	.	.	H	α-helix	trans	-65.7	-45.4	175.7	-67.2	163.7	0	0	0	110.3	S41 V42 A47 T48 V49	S41-I45 WeakPolarHBondContact O-CD1 3.44Å; S41-I45 VanDerWaalsContact O-CG1 3.23Å; S41-I45 WeakPolarHBondContact O-CG1 3.5Å; S41-I45 PolarHBondContact O-N 3.34Å; V42-I45 PolarHBondContact O-N 2.88Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 3.32Å; I45-T48 WeakPolarHBondContact CA-OG1 3.26Å; I45-T48 PolarHBondContact O-N 2.92Å; I45-T48 PolarHBondContact O-OG1 3.37Å; I45-V49 HydrophobicContact CG2-CG2 4.33Å; I45-V49 WeakPolarHBondContact O-CB 3.44Å; I45-V49 VanDerWaalsContact O-CG2 3.26Å; I45-V49 WeakPolarHBondContact O-CG2 3.32Å; I45-V49 PolarHBondContact O-N 3.44Å
46	I	72	Confident	64.7	Low	92 Å²	92	76.4 Å²	76.4	47%	0.472	47%	0.471	S	S	.	.	H	α-helix	trans	-61.5	-44.2	177.5	-69.5	167.4	0	0	0	110.5	V42 I43 V49 L50	V42-I46 HydrophobicContact CG1-CD1 3.7Å; V42-I46 HydrophobicContact CG1-CG1 4.39Å; V42-I46 WeakPolarHBondContact O-CB 3.48Å; V42-I46 VanDerWaalsContact O-CG1 3.27Å; V42-I46 WeakPolarHBondContact O-CG1 3.23Å; V42-I46 PolarHBondContact O-N 3.46Å; I43-I46 PolarHBondContact O-N 3.47Å; I46-V49 PolarHBondContact O-N 2.99Å; I46-L50 HydrophobicContact CG2-CD1 3.8Å; I46-L50 WeakPolarHBondContact O-CB 3.44Å; I46-L50 PolarHBondContact O-N 3.39Å
47	A	66.6	Low	64.6	Low	47 Å²	47	76.3 Å²	76.3	39%	0.388	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-43.5	177.8	0	0	0	0	0	112.2	I43 V44 I45 L50 V51	I43-A47 WeakPolarHBondContact O-CB 3.41Å; I43-A47 PolarHBondContact O-N 2.98Å; V44-A47 PolarHBondContact O-N 2.89Å; I45-A47 VanDerWaalsContact C-N 3.33Å; I45-A47 PolarHBondContact O-N 3.32Å; A47-L50 PolarHBondContact O-N 2.93Å; A47-V51 WeakPolarHBondContact O-CB 3.25Å; A47-V51 VanDerWaalsContact O-CG2 3.25Å; A47-V51 WeakPolarHBondContact O-CG2 3.43Å; A47-V51 PolarHBondContact O-N 3.48Å
48	T	66.8	Low	64.5	Low	75 Å²	75	80.3 Å²	80.3	46%	0.46	48%	0.477	S	S	.	.	H	α-helix	trans	-67.3	-39.3	177.8	41.5	0	0	0	0	112	V44 I45 S52	V44-T48 WeakPolarHBondContact O-CB 3.48Å; V44-T48 WeakPolarHBondContact O-CG2 3.25Å; V44-T48 PolarHBondContact O-N 2.71Å; V44-T48 PolarHBondContact O-OG1 2.88Å; I45-T48 WeakPolarHBondContact CA-OG1 3.26Å; I45-T48 PolarHBondContact O-N 2.92Å; I45-T48 PolarHBondContact O-OG1 3.37Å; T48-S52 VanDerWaalsContact O-CB 3.25Å; T48-S52 WeakPolarHBondContact O-CB 3.32Å; T48-S52 PolarHBondContact O-N 2.9Å; T48-S52 PolarHBondContact O-OG 3.01Å
49	V	66.1	Low	64.1	Low	81 Å²	81	82.2 Å²	82.2	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-63.6	-44.5	173.3	173.3	0	0	0	0	110.9	I45 I46 S52 T53	I45-V49 HydrophobicContact CG2-CG2 4.33Å; I45-V49 WeakPolarHBondContact O-CB 3.44Å; I45-V49 VanDerWaalsContact O-CG2 3.26Å; I45-V49 WeakPolarHBondContact O-CG2 3.32Å; I45-V49 PolarHBondContact O-N 3.44Å; I46-V49 PolarHBondContact O-N 2.99Å; V49-S52 PolarHBondContact O-N 3.08Å; V49-T53 HydrophobicContact CG1-CG2 4.4Å; V49-T53 WeakPolarHBondContact O-CG2 2.92Å; V49-T53 PolarHBondContact O-N 3.08Å; V49-T53 PolarHBondContact O-OG1 2.74Å
50	L	58.8	Low	64.5	Low	92 Å²	92	83.7 Å²	83.7	48%	0.482	49%	0.488	S	S	.	.	H	α-helix	trans	-61	-46.8	176.2	-92.7	155.4	0	0	0	112.6	I46 A47 S52 T53 L54	I46-L50 HydrophobicContact CG2-CD1 3.8Å; I46-L50 WeakPolarHBondContact O-CB 3.44Å; I46-L50 PolarHBondContact O-N 3.39Å; A47-L50 PolarHBondContact O-N 2.93Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 2.63Å; L50-T53 WeakPolarHBondContact CA-OG1 3.32Å; L50-T53 PolarHBondContact O-N 3.45Å; L50-T53 PolarHBondContact O-OG1 2.74Å; L50-T53 VanDerWaalsContact O-OG1 3.05Å; L50-L54 HydrophobicContact CD2-CD1 4.46Å; L50-L54 WeakPolarHBondContact O-CB 3.37Å; L50-L54 WeakPolarHBondContact O-CD1 3.35Å; L50-L54 PolarHBondContact O-N 2.68Å
51	V	61.5	Low	64.9	Low	100 Å²	100	82.8 Å²	82.8	61%	0.606	48%	0.483	S	S	*	.	H	α-helix	trans	-64.9	-39.9	178	173	0	0	0	0	110.6	A47 S55	A47-V51 WeakPolarHBondContact O-CB 3.25Å; A47-V51 VanDerWaalsContact O-CG2 3.25Å; A47-V51 WeakPolarHBondContact O-CG2 3.43Å; A47-V51 PolarHBondContact O-N 3.48Å; V51-S55 WeakPolarHBondContact O-CB 3.48Å; V51-S55 PolarHBondContact O-N 2.74Å; V51-S55 PolarHBondContact O-OG 3.34Å; V51-S55 VanDerWaalsContact O-OG 3.08Å
52	S	59.3	Low	65.3	Low	69 Å²	69	83.5 Å²	83.5	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-65.3	-45.5	178	-55.2	0	0	0	0	111.5	T48 V49 L50 S55 S56	T48-S52 VanDerWaalsContact O-CB 3.25Å; T48-S52 WeakPolarHBondContact O-CB 3.32Å; T48-S52 PolarHBondContact O-N 2.9Å; T48-S52 PolarHBondContact O-OG 3.01Å; V49-S52 PolarHBondContact O-N 3.08Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 2.63Å; S52-S55 WeakPolarHBondContact CA-OG 3.42Å; S52-S55 PolarHBondContact O-N 2.76Å; S52-S55 PolarHBondContact O-OG 3.29Å; S52-S56 PolarHBondContact O-N 2.88Å; S52-S56 PolarHBondContact O-OG 3.19Å
53	T	59	Low	65.9	Low	71 Å²	71	87.2 Å²	87.2	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-67.1	-42.3	178.7	48.7	0	0	0	0	112.1	V49 L50 S56 S57	V49-T53 HydrophobicContact CG1-CG2 4.4Å; V49-T53 WeakPolarHBondContact O-CG2 2.92Å; V49-T53 PolarHBondContact O-N 3.08Å; V49-T53 PolarHBondContact O-OG1 2.74Å; L50-T53 WeakPolarHBondContact CA-OG1 3.32Å; L50-T53 PolarHBondContact O-N 3.45Å; L50-T53 PolarHBondContact O-OG1 2.74Å; L50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-S56 WeakPolarHBondContact CA-OG 3.47Å; T53-S56 PolarHBondContact O-N 2.79Å; T53-S56 PolarHBondContact O-OG 3.3Å; T53-S57 PolarHBondContact O-N 2.97Å; T53-S57 PolarHBondContact O-OG 2.97Å
54	L	54.9	Low	66.6	Low	96 Å²	96	83.8 Å²	83.8	50%	0.503	48%	0.477	S	S	.	.	H	α-helix	trans	-58.4	-48.8	172.8	-94.7	134.6	0	0	0	111.5	L50 S56 S57 E58	L50-L54 HydrophobicContact CD2-CD1 4.46Å; L50-L54 WeakPolarHBondContact O-CB 3.37Å; L50-L54 WeakPolarHBondContact O-CD1 3.35Å; L50-L54 PolarHBondContact O-N 2.68Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 2.91Å; L54-S57 WeakPolarHBondContact CA-OG 3.27Å; L54-S57 PolarHBondContact O-N 3.46Å; L54-S57 VanDerWaalsContact O-N 3.16Å; L54-S57 PolarHBondContact O-OG 3.16Å; L54-E58 PolarHBondContact O-N 2.9Å
55	S	56.8	Low	67.2	Low	57 Å²	57	81 Å²	81	40%	0.399	46%	0.461	S	S	.	.	H	α-helix	trans	-61.8	-38.2	179.4	65.6	0	0	0	0	112.9	V51 S52 L59	V51-S55 WeakPolarHBondContact O-CB 3.48Å; V51-S55 PolarHBondContact O-N 2.74Å; V51-S55 PolarHBondContact O-OG 3.34Å; V51-S55 VanDerWaalsContact O-OG 3.08Å; S52-S55 WeakPolarHBondContact CA-OG 3.42Å; S52-S55 PolarHBondContact O-N 2.76Å; S52-S55 PolarHBondContact O-OG 3.29Å; S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 PolarHBondContact O-N 3.36Å; S55-L59 VanDerWaalsContact O-N 3.08Å
56	S	57.5	Low	67.8	Low	60 Å²	60	78.8 Å²	78.8	42%	0.42	46%	0.457	S	S	.	.	H	α-helix	trans	-66.2	-41	174.7	61.3	0	0	0	0	112.5	S52 T53 L54 L59 D60	S52-S56 PolarHBondContact O-N 2.88Å; S52-S56 PolarHBondContact O-OG 3.19Å; T53-S56 WeakPolarHBondContact CA-OG 3.47Å; T53-S56 PolarHBondContact O-N 2.79Å; T53-S56 PolarHBondContact O-OG 3.3Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 2.91Å; S56-L59 PolarHBondContact O-N 2.95Å; S56-D60 PolarHBondContact O-N 3.05Å
57	S	60.3	Low	68.5	Low	56 Å²	56	75.9 Å²	75.9	39%	0.392	44%	0.442	S	S	.	.	H	α-helix	trans	-68.6	-36.5	179.4	63.3	0	0	0	0	113.1	T53 L54 T61	T53-S57 PolarHBondContact O-N 2.97Å; T53-S57 PolarHBondContact O-OG 2.97Å; L54-S57 WeakPolarHBondContact CA-OG 3.27Å; L54-S57 PolarHBondContact O-N 3.46Å; L54-S57 VanDerWaalsContact O-N 3.16Å; L54-S57 PolarHBondContact O-OG 3.16Å; S57-T61 WeakPolarHBondContact O-CB 3.47Å; S57-T61 PolarHBondContact O-N 2.92Å; S57-T61 VanDerWaalsContact O-N 3.08Å; S57-T61 PolarHBondContact O-OG1 2.86Å
58	E	61.8	Low	69.5	Low	136 Å²	136	73.7 Å²	73.7	64%	0.636	42%	0.423	S	S	*	.	H	α-helix	trans	-70.7	-40.4	175.4	-75.1	-164.1	159	0	0	112.1	L54 T61 S62	L54-E58 PolarHBondContact O-N 2.9Å; E58-T61 PolarHBondContact O-N 2.74Å; E58-S62 WeakPolarHBondContact O-CB 2.91Å; E58-S62 PolarHBondContact O-N 2.86Å
59	L	61.1	Low	70.2	Confident	117 Å²	117	70.3 Å²	70.3	61%	0.613	40%	0.403	S	S	*	.	H	α-helix	trans	-59.9	-47.9	175.7	-89.3	160	0	0	0	111.4	S55 S56 T61 S62 Y63	S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 PolarHBondContact O-N 3.36Å; S55-L59 VanDerWaalsContact O-N 3.08Å; S56-L59 PolarHBondContact O-N 2.95Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.33Å; L59-S62 PolarHBondContact O-N 2.96Å; L59-S62 PolarHBondContact O-OG 2.85Å; L59-Y63 WeakPolarHBondContact O-CB 3.48Å; L59-Y63 PolarHBondContact O-N 2.9Å
60	D	73.4	Confident	71.2	Confident	107 Å²	107	71.8 Å²	71.8	57%	0.572	41%	0.411	S	S	*	.	H	α-helix	trans	-61.1	-43	177.4	-86.8	-18.5	0	0	0	111.6	S56 Y63 L64	S56-D60 PolarHBondContact O-N 3.05Å; D60-Y63 PolarHBondContact O-N 2.72Å; D60-L64 WeakPolarHBondContact O-CB 3.15Å; D60-L64 PolarHBondContact O-N 2.89Å
61	T	74.1	Confident	72.5	Confident	64 Å²	64	73.3 Å²	73.3	39%	0.393	41%	0.414	S	S	.	.	H	α-helix	trans	-67.2	-39.4	179.1	-48.5	0	0	0	0	111.5	S57 E58 L59 L64 T65 L153	S57-T61 WeakPolarHBondContact O-CB 3.47Å; S57-T61 PolarHBondContact O-N 2.92Å; S57-T61 VanDerWaalsContact O-N 3.08Å; S57-T61 PolarHBondContact O-OG1 2.86Å; E58-T61 PolarHBondContact O-N 2.74Å; L59-T61 VanDerWaalsContact C-N 3.34Å; L59-T61 PolarHBondContact O-N 3.33Å; T61-L64 PolarHBondContact O-N 2.99Å; T61-T65 WeakPolarHBondContact O-CB 3.44Å; T61-T65 PolarHBondContact O-N 3.45Å; T61-T65 PolarHBondContact O-OG1 3.31Å; T61-L153 HydrophobicContact CG2-CD2 4.46Å
62	S	76.9	Confident	73.3	Confident	68 Å²	68	69.6 Å²	69.6	48%	0.476	39%	0.391	S	S	.	.	H	α-helix	trans	-66.7	-40.5	176.6	86.3	0	0	0	0	111.8	E58 L59 T65 A66	E58-S62 WeakPolarHBondContact O-CB 2.91Å; E58-S62 PolarHBondContact O-N 2.86Å; L59-S62 PolarHBondContact O-N 2.96Å; L59-S62 PolarHBondContact O-OG 2.85Å; S62-T65 PolarHBondContact O-N 3.49Å; S62-A66 WeakPolarHBondContact O-CB 3.35Å; S62-A66 PolarHBondContact O-N 2.68Å
63	Y	83	Confident	74	Confident	154 Å²	154	75.7 Å²	75.7	60%	0.604	41%	0.408	S	S	*	.	H	α-helix	trans	-66	-45.5	176.9	177.5	-94.8	0	0	0	111	L59 D60 T65 A66 E67	L59-Y63 WeakPolarHBondContact O-CB 3.48Å; L59-Y63 PolarHBondContact O-N 2.9Å; D60-Y63 PolarHBondContact O-N 2.72Å; Y63-T65 VanDerWaalsContact C-N 3.3Å; Y63-T65 PolarHBondContact O-N 2.85Å; Y63-A66 PolarHBondContact O-N 3.32Å; Y63-E67 VanDerWaalsContact O-CB 3.28Å; Y63-E67 WeakPolarHBondContact O-CB 3.36Å; Y63-E67 PolarHBondContact O-N 3.08Å
64	L	84.9	Confident	74.7	Confident	28 Å²	28	75.7 Å²	75.7	15%	0.147	42%	0.415	C	S	.	.	H	α-helix	trans	-58.1	-42.5	173.4	-92.6	153.3	0	0	0	111.7	D60 T61 E67 A68 Y148 K149 L153	D60-L64 WeakPolarHBondContact O-CB 3.15Å; D60-L64 PolarHBondContact O-N 2.89Å; T61-L64 PolarHBondContact O-N 2.99Å; L64-E67 PolarHBondContact O-N 3.06Å; L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.3Å; L64-Y148 HydrophobicContact CD2-CD1 3.97Å; L64-Y148 HydrophobicContact CD2-CE1 4.03Å; L64-K149 HydrophobicContact CD2-CD 3.81Å; L64-L153 HydrophobicContact CB-CD1 4.15Å
65	T	84.4	Confident	75.5	Confident	32 Å²	32	72.6 Å²	72.6	20%	0.196	40%	0.399	C	S	.	.	H	α-helix	trans	-65.3	-45.4	178.8	-57	0	0	0	0	111.3	T61 S62 Y63 A68 N69 E154	T61-T65 WeakPolarHBondContact O-CB 3.44Å; T61-T65 PolarHBondContact O-N 3.45Å; T61-T65 PolarHBondContact O-OG1 3.31Å; S62-T65 PolarHBondContact O-N 3.49Å; Y63-T65 VanDerWaalsContact C-N 3.3Å; Y63-T65 PolarHBondContact O-N 2.85Å; T65-A68 PolarHBondContact O-N 3.31Å; T65-N69 WeakPolarHBondContact O-CB 3.39Å; T65-N69 PolarHBondContact O-N 3.12Å; T65-N69 PolarHBondContact O-ND2 2.83Å; T65-E154 HydrophobicContact CG2-CB 4.33Å
66	A	84.3	Confident	76.4	Confident	53 Å²	53	71.2 Å²	71.2	44%	0.438	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-45.4	176	0	0	0	0	0	111.6	S62 Y63 A68 N69 V70	S62-A66 WeakPolarHBondContact O-CB 3.35Å; S62-A66 PolarHBondContact O-N 2.68Å; Y63-A66 PolarHBondContact O-N 3.32Å; A66-A68 VanDerWaalsContact C-N 3.34Å; A66-A68 PolarHBondContact O-N 2.9Å; A66-N69 PolarHBondContact O-N 3.47Å; A66-V70 WeakPolarHBondContact O-CG2 3.45Å; A66-V70 PolarHBondContact O-N 3.46Å; A66-V70 VanDerWaalsContact O-N 3.12Å
67	E	87.9	Confident	77.2	Confident	31 Å²	31	69.6 Å²	69.6	15%	0.145	38%	0.375	C	S	.	.	H	α-helix	trans	-58	-47	175.8	-176	-171.1	-173.5	0	0	111	Y63 L64 V70 K71 Y148 K149	Y63-E67 VanDerWaalsContact O-CB 3.28Å; Y63-E67 WeakPolarHBondContact O-CB 3.36Å; Y63-E67 PolarHBondContact O-N 3.08Å; L64-E67 PolarHBondContact O-N 3.06Å; E67-V70 PolarHBondContact O-N 3.34Å; E67-K71 HydrophobicContact CG-CD 3.93Å; E67-K71 HydrophobicContact CG-CG 4.44Å; E67-K71 WeakPolarHBondContact O-CB 3.21Å; E67-K71 PolarHBondContact O-N 2.91Å; E67-K71 WeakPolarHBondContact OE1-CE 3.35Å; E67-K71 IonicContact OE1-NZ 2.68Å; E67-K71 PolarHBondContact OE1-NZ 2.83Å; E67-Y148 HydrophobicContact CG-CE1 4.3Å; E67-Y148 PolarHBondContact OE1-OH 3.2Å; E67-K149 IonicContact OE1-NZ 3.6Å; E67-K149 PolarHBondContact OE1-NZ 3.42Å; E67-K149 IonicContact OE2-NZ 3.53Å; E67-K149 PolarHBondContact OE2-NZ 3.02Å
68	A	85.9	Confident	77.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-48.5	-179.5	0	0	0	0	0	111.7	L64 T65 A66 V70 K71 I72 F146 Y148 L153	L64-A68 WeakPolarHBondContact O-CB 3.41Å; L64-A68 PolarHBondContact O-N 3.3Å; T65-A68 PolarHBondContact O-N 3.31Å; A66-A68 VanDerWaalsContact C-N 3.34Å; A66-A68 PolarHBondContact O-N 2.9Å; A68-V70 PolarHBondContact O-N 3.44Å; A68-K71 PolarHBondContact O-N 3.42Å; A68-I72 WeakPolarHBondContact O-CB 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.5Å; A68-I72 PolarHBondContact O-N 2.84Å; A68-F146 HydrophobicContact CB-CE2 3.79Å; A68-F146 HydrophobicContact CB-CZ 3.8Å; A68-Y148 HydrophobicContact CB-CD1 3.56Å; A68-Y148 HydrophobicContact CB-CD2 4.1Å; A68-Y148 HydrophobicContact CB-CE1 4.18Å; A68-Y148 HydrophobicContact CB-CG 3.52Å; A68-L153 HydrophobicContact CB-CD1 3.73Å
69	N	83	Confident	78.1	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.027	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-25.3	179.8	-79.9	-72.3	0	0	0	113.1	T65 A66 E154 E156 K158 F159	T65-N69 WeakPolarHBondContact O-CB 3.39Å; T65-N69 PolarHBondContact O-N 3.12Å; T65-N69 PolarHBondContact O-ND2 2.83Å; A66-N69 PolarHBondContact O-N 3.47Å; N69-E154 PolarHBondContact ND2-O 2.78Å; N69-E156 HydrophobicContact CB-CG 3.96Å; N69-E156 PolarHBondContact OD1-N 3.31Å; N69-K158 VanDerWaalsContact O-CE 3.31Å; N69-K158 WeakPolarHBondContact O-CE 3.24Å; N69-K158 PolarHBondContact O-NZ 3.46Å; N69-F159 WeakPolarHBondContact OD1-CE2 3.33Å
70	V	86.1	Confident	78.7	Confident	111 Å²	111	58.7 Å²	58.7	67%	0.673	32%	0.315	S	S	*	.	H	α-helix	trans	-81.3	-41.6	173.8	172.6	0	0	0	0	111.9	A66 E67 A68	A66-V70 WeakPolarHBondContact O-CG2 3.45Å; A66-V70 PolarHBondContact O-N 3.46Å; A66-V70 VanDerWaalsContact O-N 3.12Å; E67-V70 PolarHBondContact O-N 3.34Å; A68-V70 PolarHBondContact O-N 3.44Å
71	K	86.3	Confident	79	Confident	125 Å²	125	55 Å²	55	54%	0.543	30%	0.295	S	S	.	.	H	α-helix	trans	-79.9	-37.4	-174.2	-78.2	-174.1	175	175.6	0	113.5	E67 A68 Y148	E67-K71 HydrophobicContact CG-CD 3.93Å; E67-K71 HydrophobicContact CG-CG 4.44Å; E67-K71 WeakPolarHBondContact O-CB 3.21Å; E67-K71 PolarHBondContact O-N 2.91Å; E67-K71 WeakPolarHBondContact OE1-CE 3.35Å; E67-K71 IonicContact OE1-NZ 2.68Å; E67-K71 PolarHBondContact OE1-NZ 2.83Å; A68-K71 PolarHBondContact O-N 3.42Å; K71-Y148 WeakPolarHBondContact CD-OH 3.36Å
72	I	79.6	Confident	79.3	Confident	22 Å²	22	52 Å²	52	11%	0.113	28%	0.277	C	S	.	.			trans	-75.9	127.8	175.7	-59.4	-54	0	0	0	108.1	A68 A74 D137 F146 Y148 F159	A68-I72 WeakPolarHBondContact O-CB 3.31Å; A68-I72 WeakPolarHBondContact O-CG1 3.5Å; A68-I72 PolarHBondContact O-N 2.84Å; I72-A74 WeakPolarHBondContact CG2-O 3.33Å; I72-D137 HydrophobicContact CD1-CB 3.82Å; I72-F146 HydrophobicContact CB-CE2 4.08Å; I72-F146 HydrophobicContact CB-CZ 4.28Å; I72-F146 HydrophobicContact CG1-CD2 4.22Å; I72-F146 HydrophobicContact CG1-CE2 3.58Å; I72-F146 HydrophobicContact CG1-CZ 4.23Å; I72-F146 HydrophobicContact CG2-CE2 4.42Å; I72-Y148 HydrophobicContact CD1-CD2 4.31Å; I72-Y148 HydrophobicContact CG1-CD2 4.3Å; I72-F159 HydrophobicContact CB-CZ 4.31Å; I72-F159 HydrophobicContact CG2-CE1 4.01Å; I72-F159 HydrophobicContact CG2-CZ 4.19Å; I72-F159 WeakPolarHBondContact O-CZ 3.47Å
73	K	73.6	Confident	79.2	Confident	196 Å²	196	49.8 Å²	49.8	85%	0.852	26%	0.26	S	S	*	.			trans	-104.8	-30.6	179.5	-65.2	-175	-180	-178.2	0	112.4
74	A	72.1	Confident	79	Confident	71 Å²	71	50.1 Å²	50.1	59%	0.587	26%	0.264	S	S	*	.	S	Bend	trans	-145.7	146	179.4	0	0	0	0	0	108.9	I72	I72-A74 WeakPolarHBondContact CG2-O 3.33Å
75	L	73.2	Confident	78.9	Confident	31 Å²	31	51.4 Å²	51.4	16%	0.162	27%	0.271	C	S	.	.			trans	-69.1	147.2	173.4	-63.2	170.8	0	0	0	110	G138 F146 F159 V161 L164	L75-G138 WeakPolarHBondContact CA-O 3.13Å; L75-F146 HydrophobicContact CD2-CB 3.82Å; L75-F146 HydrophobicContact CD2-CD1 4.16Å; L75-F146 HydrophobicContact CD2-CG 4.15Å; L75-F159 HydrophobicContact CD1-CB 4.23Å; L75-F159 HydrophobicContact CD2-CB 4.34Å; L75-F159 HydrophobicContact CD2-CD1 4.21Å; L75-F159 HydrophobicContact CD2-CG 4.43Å; L75-F159 HydrophobicContact CG-CB 4.29Å; L75-F159 HydrophobicContact CG-CD1 4.11Å; L75-V161 VanDerWaalsContact CD1-CA 3.5Å; L75-V161 HydrophobicContact CD1-CB 3.93Å; L75-V161 HydrophobicContact CD1-CG1 4.4Å; L75-V161 HydrophobicContact CD1-CG2 3.44Å; L75-V161 VanDerWaalsContact CD1-CG2 3.44Å; L75-V161 HydrophobicContact CD2-CG2 4.16Å; L75-V161 HydrophobicContact CG-CG2 4.43Å; L75-L164 HydrophobicContact CB-CD1 3.85Å; L75-L164 HydrophobicContact CD1-CD1 4.1Å
76	V	76	Confident	78.4	Confident	28 Å²	28	50.7 Å²	50.7	17%	0.17	27%	0.266	C	S	.	.			trans	-83.5	129.6	179	169.5	0	0	0	0	110	A78 N81 P136 D137 G138 L139 P140	V76-A78 PolarHBondContact O-N 2.9Å; V76-N81 WeakPolarHBondContact CG1-ND2 3.32Å; V76-P136 HydrophobicContact CG1-CG 3.82Å; V76-D137 WeakPolarHBondContact CG2-O 3.3Å; V76-G138 PolarHBondContact N-O 3.42Å; V76-L139 HydrophobicContact CG1-CD1 4.24Å; V76-P140 VanDerWaalsContact O-CD 3.3Å; V76-P140 WeakPolarHBondContact O-CD 3.33Å
77	N	72.4	Confident	77.8	Confident	26 Å²	26	51 Å²	51	14%	0.139	26%	0.261	C	S	.	.			trans	-78.5	115.2	167.9	-178.4	-23.1	0	0	0	109.8	S79 E80 N81 M97	N77-S79 VanDerWaalsContact C-N 3.32Å; N77-S79 PolarHBondContact O-N 3.27Å; N77-S79 WeakPolarHBondContact OD1-CB 3.28Å; N77-S79 PolarHBondContact OD1-N 3.4Å; N77-E80 HydrophobicContact CB-CB 3.94Å; N77-E80 HydrophobicContact CB-CG 3.93Å; N77-E80 PolarHBondContact ND2-OE1 3.15Å; N77-E80 PolarHBondContact O-N 3.31Å; N77-E80 PolarHBondContact OD1-N 2.93Å; N77-N81 PolarHBondContact O-N 2.89Å; N77-N81 VanDerWaalsContact O-N 3.13Å; N77-M97 WeakPolarHBondContact OD1-CE 3.37Å
78	A	72.8	Confident	76.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-43.4	-178.9	0	0	0	0	0	111.9	V76 N81 C82 A94 M97 L105 L139	V76-A78 PolarHBondContact O-N 2.9Å; A78-N81 PolarHBondContact O-N 3.13Å; A78-C82 PolarHBondContact O-N 3.2Å; A78-A94 HydrophobicContact CB-CB 3.63Å; A78-M97 HydrophobicContact CB-SD 3.79Å; A78-L105 HydrophobicContact CB-CD1 3.87Å; A78-L139 HydrophobicContact CB-CD1 3.7Å
79	S	69.7	Low	75.3	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-45.3	179.2	-60.9	0	0	0	0	111.5	N77 N81 C82 N83	N77-S79 VanDerWaalsContact C-N 3.32Å; N77-S79 PolarHBondContact O-N 3.27Å; N77-S79 WeakPolarHBondContact OD1-CB 3.28Å; N77-S79 PolarHBondContact OD1-N 3.4Å; S79-N81 VanDerWaalsContact C-N 3.28Å; S79-N81 PolarHBondContact O-N 2.68Å; S79-C82 PolarHBondContact O-N 3.18Å; S79-N83 WeakPolarHBondContact O-CB 3.24Å; S79-N83 PolarHBondContact O-N 3.13Å; S79-N83 PolarHBondContact O-ND2 2.67Å; S79-N83 PolarHBondContact O-OD1 3.2Å
80	E	72.2	Confident	74.8	Confident	78 Å²	78	58 Å²	58	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-57.9	-40.2	176.1	-78.2	170.2	-147.8	0	0	112.5	N77 N83 K84 L175	N77-E80 HydrophobicContact CB-CB 3.94Å; N77-E80 HydrophobicContact CB-CG 3.93Å; N77-E80 PolarHBondContact ND2-OE1 3.15Å; N77-E80 PolarHBondContact O-N 3.31Å; N77-E80 PolarHBondContact OD1-N 2.93Å; E80-N83 PolarHBondContact O-N 3.5Å; E80-K84 PolarHBondContact O-N 3.48Å; E80-L175 VanDerWaalsContact OE1-CD1 3.3Å; E80-L175 WeakPolarHBondContact OE1-CD1 2.98Å
81	N	80.4	Confident	74.2	Confident	30 Å²	30	52.8 Å²	52.8	16%	0.16	28%	0.281	C	S	.	.	H	α-helix	trans	-68.9	-39.3	177.3	-102.8	-20.5	0	0	0	112.8	V76 N77 A78 S79 N83 K84 L105 P136	V76-N81 WeakPolarHBondContact CG1-ND2 3.32Å; N77-N81 PolarHBondContact O-N 2.89Å; N77-N81 VanDerWaalsContact O-N 3.13Å; A78-N81 PolarHBondContact O-N 3.13Å; S79-N81 VanDerWaalsContact C-N 3.28Å; S79-N81 PolarHBondContact O-N 2.68Å; N81-N83 VanDerWaalsContact C-N 3.33Å; N81-K84 WeakPolarHBondContact O-CB 3.43Å; N81-K84 PolarHBondContact O-N 3.24Å; N81-K84 WeakPolarHBondContact OD1-CE 3.41Å; N81-K84 PolarHBondContact OD1-NZ 3.17Å; N81-L105 HydrophobicContact CB-CD2 4.02Å; N81-P136 VanDerWaalsContact ND2-CG 3.33Å; N81-P136 WeakPolarHBondContact ND2-CG 3.29Å
82	C	80.5	Confident	73.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-38	172.6	-69.8	0	0	0	0	112.1	A78 S79 K84 L85 F92 C107	A78-C82 PolarHBondContact O-N 3.2Å; S79-C82 PolarHBondContact O-N 3.18Å; C82-K84 PolarHBondContact O-N 3.26Å; C82-K84 VanDerWaalsContact O-N 3.15Å; C82-L85 VanDerWaalsContact O-CB 3.28Å; C82-L85 WeakPolarHBondContact O-CB 3.41Å; C82-L85 PolarHBondContact O-N 2.99Å; C82-F92 HydrophobicContact CB-CB 4.47Å; C82-F92 VanDerWaalsContact O-CB 3.25Å; C82-F92 WeakPolarHBondContact O-CB 3.4Å; C82-C107 WeakPolarHBondContact CA-SG 3.35Å; C82-C107 HydrophobicContact CB-CB 3.66Å; C82-C107 WeakPolarHBondContact CB-SG 3.2Å; C82-C107 WeakPolarHBondContact SG-CA 3.17Å; C82-C107 WeakPolarHBondContact SG-CB 3.34Å; C82-C107 CovalentContact SG-SG 2.04Å; C82-C107 PolarHBondContact SG-SG 2.91Å
83	N	74.1	Confident	73.7	Confident	23 Å²	23	46.5 Å²	46.5	12%	0.123	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-23.7	178.3	-66.7	-33.5	0	0	0	113.2	S79 E80 N81 L85 N86 F92 Y227	S79-N83 WeakPolarHBondContact O-CB 3.24Å; S79-N83 PolarHBondContact O-N 3.13Å; S79-N83 PolarHBondContact O-ND2 2.67Å; S79-N83 PolarHBondContact O-OD1 3.2Å; E80-N83 PolarHBondContact O-N 3.5Å; N81-N83 VanDerWaalsContact C-N 3.33Å; N83-L85 PolarHBondContact O-N 3.22Å; N83-L85 VanDerWaalsContact O-N 3.17Å; N83-N86 WeakPolarHBondContact CA-ND2 3.37Å; N83-N86 WeakPolarHBondContact O-CB 3.41Å; N83-N86 PolarHBondContact O-N 2.78Å; N83-N86 PolarHBondContact O-ND2 3.27Å; N83-N86 VanDerWaalsContact O-ND2 3.08Å; N83-F92 PolarHBondContact OD1-O 2.78Å; N83-Y227 WeakPolarHBondContact ND2-CD1 3.46Å; N83-Y227 WeakPolarHBondContact ND2-CE1 3.43Å
84	K	80.4	Confident	73.7	Confident	161 Å²	161	37.4 Å²	37.4	70%	0.7	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.7	173.5	-66.9	172.2	-174.2	168.5	0	112.9	E80 N81 C82 N86	E80-K84 PolarHBondContact O-N 3.48Å; N81-K84 WeakPolarHBondContact O-CB 3.43Å; N81-K84 PolarHBondContact O-N 3.24Å; N81-K84 WeakPolarHBondContact OD1-CE 3.41Å; N81-K84 PolarHBondContact OD1-NZ 3.17Å; C82-K84 PolarHBondContact O-N 3.26Å; C82-K84 VanDerWaalsContact O-N 3.15Å; K84-N86 VanDerWaalsContact C-N 3.32Å
85	L	81.7	Confident	73.5	Confident	54 Å²	54	35.5 Å²	35.5	28%	0.283	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.7	173.8	-57.9	178.8	0	0	0	113.2	C82 N83 N87 F92 C107 H131 L133	C82-L85 VanDerWaalsContact O-CB 3.28Å; C82-L85 WeakPolarHBondContact O-CB 3.41Å; C82-L85 PolarHBondContact O-N 2.99Å; N83-L85 PolarHBondContact O-N 3.22Å; N83-L85 VanDerWaalsContact O-N 3.17Å; L85-N87 PolarHBondContact O-N 3.05Å; L85-F92 VanDerWaalsContact C-CD2 3.47Å; L85-F92 HydrophobicContact CB-CB 4.02Å; L85-F92 HydrophobicContact CB-CD1 3.92Å; L85-F92 HydrophobicContact CB-CD2 3.63Å; L85-F92 HydrophobicContact CB-CE1 4.26Å; L85-F92 HydrophobicContact CB-CE2 4Å; L85-F92 HydrophobicContact CB-CG 3.59Å; L85-F92 HydrophobicContact CB-CZ 4.3Å; L85-F92 HydrophobicContact CD1-CD1 3.83Å; L85-F92 HydrophobicContact CD1-CE1 4.18Å; L85-F92 HydrophobicContact CD1-CG 4.26Å; L85-F92 VanDerWaalsContact O-CD2 3.26Å; L85-F92 WeakPolarHBondContact O-CD2 3.04Å; L85-F92 WeakPolarHBondContact O-CE2 3.02Å; L85-C107 HydrophobicContact CD1-CB 4.02Å; L85-H131 HydrophobicContact CD1-CB 4.26Å; L85-L133 HydrophobicContact CD1-CD1 3.93Å; L85-L133 HydrophobicContact CD1-CD2 4.24Å; L85-L133 HydrophobicContact CD1-CG 4.23Å; L85-L133 HydrophobicContact CD2-CD2 4.34Å; L85-L133 HydrophobicContact CG-CD1 4.33Å
86	N	74.9	Confident	73.2	Confident	17 Å²	17	37.2 Å²	37.2	9%	0.091	21%	0.208	C	C	.	.			trans	-55	136.8	179.8	-72.5	-17	0	0	0	111.5	N83 K84 C91 F92 T181 C221	N83-N86 WeakPolarHBondContact CA-ND2 3.37Å; N83-N86 WeakPolarHBondContact O-CB 3.41Å; N83-N86 PolarHBondContact O-N 2.78Å; N83-N86 PolarHBondContact O-ND2 3.27Å; N83-N86 VanDerWaalsContact O-ND2 3.08Å; K84-N86 VanDerWaalsContact C-N 3.32Å; N86-C91 WeakPolarHBondContact OD1-CA 3.43Å; N86-F92 PolarHBondContact OD1-N 3.33Å; N86-F92 PolarHBondContact OD1-O 2.94Å; N86-T181 HydrophobicContact CB-CG2 4.49Å; N86-C221 HydrophobicContact CB-CB 4.31Å; N86-C221 WeakPolarHBondContact CB-SG 3.28Å; N86-C221 WeakPolarHBondContact ND2-CB 3.41Å; N86-C221 PolarHBondContact ND2-SG 3.5Å
87	N	70.8	Confident	72.5	Confident	61 Å²	61	36.6 Å²	36.6	33%	0.326	20%	0.204	S	C	.	.			trans	-142.8	177.1	177.3	67.4	60.5	0	0	0	110.9	L85 S89 M90 L182	L85-N87 PolarHBondContact O-N 3.05Å; N87-S89 PolarHBondContact O-N 2.03Å; N87-S89 WeakPolarHBondContact OD1-CA 3.39Å; N87-S89 PolarHBondContact OD1-N 3.48Å; N87-S89 PolarHBondContact OD1-OG 3.45Å; N87-M90 PolarHBondContact N-O 2.84Å; N87-M90 PolarHBondContact O-N 2.76Å; N87-M90 PolarHBondContact OD1-N 2.03Å; N87-L182 CarbonylContact C-O 3.53Å
88	A	57.9	Low	72.3	Confident	76 Å²	76	38.5 Å²	38.5	63%	0.628	21%	0.213	S	C	*	.	S	Bend	trans	-52	-22	-176.9	0	0	0	0	0	115.6	L182 I184	A88-L182 CarbonylContact C-O 3.39Å; A88-L182 WeakPolarHBondContact CA-O 3.1Å; A88-L182 CarbonylContact O-C 3.54Å; A88-I184 PolarHBondContact O-N 3.14Å
89	S	62.6	Low	72.5	Confident	52 Å²	52	39 Å²	39	36%	0.364	22%	0.217	S	C	.	.	S	Bend	trans	-117.5	-22	-173.3	65.8	0	0	0	0	114	N87 T111	N87-S89 PolarHBondContact O-N 2.03Å; N87-S89 WeakPolarHBondContact OD1-CA 3.39Å; N87-S89 PolarHBondContact OD1-N 3.48Å; N87-S89 PolarHBondContact OD1-OG 3.45Å; S89-T111 WeakPolarHBondContact O-CB 3.24Å; S89-T111 PolarHBondContact O-OG1 3.04Å
90	M	72.8	Confident	72.5	Confident	54 Å²	54	47.1 Å²	47.1	27%	0.266	25%	0.254	S	S	.	.			trans	-145.2	137	-168.2	-119.2	175.1	-155.4	0	0	111.9	N87 F92 T111 C183	N87-M90 PolarHBondContact N-O 2.84Å; N87-M90 PolarHBondContact O-N 2.76Å; N87-M90 PolarHBondContact OD1-N 2.03Å; M90-F92 HydrophobicContact CB-CE2 3.98Å; M90-F92 HydrophobicContact CB-CZ 4.49Å; M90-T111 HydrophobicContact CE-CG2 4.41Å; M90-C183 PolarHBondContact O-SG 2.79Å; M90-C183 VanDerWaalsContact O-SG 3.38Å
91	C	74.8	Confident	73	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.4	177.8	-75.2	0	0	0	0	108.6	N86 S109 Y110 C183 C221	N86-C91 WeakPolarHBondContact OD1-CA 3.43Å; C91-S109 CarbonylContact O-C 3.45Å; C91-S109 WeakPolarHBondContact O-CA 3.32Å; C91-Y110 HydrophobicContact CB-CD1 4.04Å; C91-Y110 HydrophobicContact CB-CD2 3.95Å; C91-Y110 HydrophobicContact CB-CE1 3.59Å; C91-Y110 HydrophobicContact CB-CE2 3.42Å; C91-Y110 VanDerWaalsContact CB-CE2 3.42Å; C91-Y110 HydrophobicContact CB-CG 4.21Å; C91-Y110 PolarHBondContact N-O 3.4Å; C91-Y110 PolarHBondContact O-N 2.94Å; C91-C183 WeakPolarHBondContact CA-SG 3.18Å; C91-C183 HydrophobicContact CB-CB 4.15Å; C91-C183 WeakPolarHBondContact CB-SG 2.9Å; C91-C183 PolarHBondContact N-SG 3.19Å; C91-C183 WeakPolarHBondContact SG-CB 2.93Å; C91-C183 CovalentContact SG-SG 2.04Å; C91-C183 PolarHBondContact SG-SG 2.91Å; C91-C221 HydrophobicContact CB-CB 4.26Å; C91-C221 WeakPolarHBondContact SG-CA 3.27Å; C91-C221 WeakPolarHBondContact SG-CB 3.49Å; C91-C221 PolarHBondContact SG-SG 2.84Å
92	F	80.2	Confident	73.4	Confident	11 Å²	11	47.1 Å²	47.1	5%	0.048	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.9	-178.2	-67.7	-101.2	0	0	0	110	C82 N83 L85 N86 M90 C107 R108 H131	C82-F92 HydrophobicContact CB-CB 4.47Å; C82-F92 VanDerWaalsContact O-CB 3.25Å; C82-F92 WeakPolarHBondContact O-CB 3.4Å; N83-F92 PolarHBondContact OD1-O 2.78Å; L85-F92 VanDerWaalsContact C-CD2 3.47Å; L85-F92 HydrophobicContact CB-CB 4.02Å; L85-F92 HydrophobicContact CB-CD1 3.92Å; L85-F92 HydrophobicContact CB-CD2 3.63Å; L85-F92 HydrophobicContact CB-CE1 4.26Å; L85-F92 HydrophobicContact CB-CE2 4Å; L85-F92 HydrophobicContact CB-CG 3.59Å; L85-F92 HydrophobicContact CB-CZ 4.3Å; L85-F92 HydrophobicContact CD1-CD1 3.83Å; L85-F92 HydrophobicContact CD1-CE1 4.18Å; L85-F92 HydrophobicContact CD1-CG 4.26Å; L85-F92 VanDerWaalsContact O-CD2 3.26Å; L85-F92 WeakPolarHBondContact O-CD2 3.04Å; L85-F92 WeakPolarHBondContact O-CE2 3.02Å; N86-F92 PolarHBondContact OD1-N 3.33Å; N86-F92 PolarHBondContact OD1-O 2.94Å; M90-F92 HydrophobicContact CB-CE2 3.98Å; M90-F92 HydrophobicContact CB-CZ 4.49Å; F92-C107 HydrophobicContact CD1-CB 4.36Å; F92-R108 CarbonylContact C-O 3.53Å; F92-R108 VanDerWaalsContact CA-O 3.23Å; F92-R108 WeakPolarHBondContact CA-O 3.42Å; F92-H131 HydrophobicContact CE1-CB 4.22Å; F92-H131 AromaticContact CE1-CD2 3.98Å; F92-H131 AromaticContact CE1-CG 3.85Å
93	Y	74.7	Confident	73.8	Confident	5 Å²	5	50.6 Å²	50.6	2%	0.02	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.6	177.2	67.2	-73.7	0	0	0	109.8	C107 R108 Y110 Q127 D230	Y93-C107 CarbonylContact O-C 3.58Å; Y93-C107 WeakPolarHBondContact O-CA 3.39Å; Y93-R108 HydrophobicContact CD1-CB 4.07Å; Y93-R108 VanDerWaalsContact CD1-O 3.3Å; Y93-R108 WeakPolarHBondContact CD1-O 3.04Å; Y93-R108 HydrophobicContact CE1-CB 3.39Å; Y93-R108 HydrophobicContact CE2-CB 4.05Å; Y93-R108 PolarHBondContact N-O 3.38Å; Y93-R108 PolarHBondContact O-N 3.32Å; Y93-R108 WeakPolarHBondContact OH-CB 3.3Å; Y93-R108 WeakPolarHBondContact OH-CD 2.97Å; Y93-Y110 AromaticContact CD1-CD1 3.58Å; Y93-Y110 HydrophobicContact CD1-CD1 3.58Å; Y93-Y110 AromaticContact CD1-CE1 3.79Å; Y93-Y110 HydrophobicContact CD1-CE1 3.79Å; Y93-Y110 AromaticContact CE1-CD1 3.65Å; Y93-Y110 HydrophobicContact CE1-CD1 3.65Å; Y93-Y110 HydrophobicContact CE1-CE1 4.27Å; Y93-Q127 PolarHBondContact OH-NE2 2.85Å; Y93-D230 HydrophobicContact CE2-CB 4.29Å; Y93-D230 PolarHBondContact OH-OD1 3.23Å
94	A	73.7	Confident	74.5	Confident	5 Å²	5	54.1 Å²	54.1	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	125.5	169	0	0	0	0	0	108.5	A78 T96 L105	A78-A94 HydrophobicContact CB-CB 3.63Å; A94-T96 PolarHBondContact O-N 3.16Å; A94-L105 HydrophobicContact CB-CD1 4.2Å
95	S	66.8	Low	74.8	Confident	30 Å²	30	46.7 Å²	46.7	21%	0.21	26%	0.259	C	S	.	.	S	Bend	trans	-76.5	-12.9	175.3	62	0	0	0	0	113
96	T	67.7	Low	75	Confident	67 Å²	67	46.4 Å²	46.4	41%	0.411	26%	0.259	S	S	.	.			trans	-144.8	146.1	176.3	93.1	0	0	0	0	108.1	A94 L98	A94-T96 PolarHBondContact O-N 3.16Å; T96-L98 PolarHBondContact OG1-N 3.46Å; T96-L98 PolarHBondContact OG1-O 2.76Å
97	M	62.1	Low	75.5	Confident	16 Å²	16	45.6 Å²	45.6	8%	0.079	26%	0.255	C	S	.	.	S	Bend	trans	-83.5	-3	176.7	-66.7	-68.4	-82.9	0	0	113.1	N77 A78 L164	N77-M97 WeakPolarHBondContact OD1-CE 3.37Å; A78-M97 HydrophobicContact CB-SD 3.79Å; M97-L164 WeakPolarHBondContact CB-O 3.32Å; M97-L164 HydrophobicContact CE-CB 4.19Å; M97-L164 HydrophobicContact CE-CD2 3.95Å; M97-L164 WeakPolarHBondContact CG-O 3.11Å
98	L	67.3	Low	76.1	Confident	66 Å²	66	46.6 Å²	46.6	35%	0.346	25%	0.254	S	S	.	.			trans	-114.9	146.7	-173.7	-65.2	160	0	0	0	110.5	T96 P140	T96-L98 PolarHBondContact OG1-N 3.46Å; T96-L98 PolarHBondContact OG1-O 2.76Å; L98-P140 CarbonylContact C-O 3.47Å; L98-P140 VanDerWaalsContact CA-O 3.24Å; L98-P140 WeakPolarHBondContact CA-O 2.97Å; L98-P140 HydrophobicContact CD2-CB 3.64Å
99	S	76.5	Confident	77.2	Confident	10 Å²	10	43 Å²	43	7%	0.07	22%	0.224	C	C	.	.			trans	-115.7	107.2	163.8	-178.2	0	0	0	0	108.7	N101 C102 H104 L139 P140 C141	S99-N101 PolarHBondContact O-N 2.89Å; S99-N101 VanDerWaalsContact O-N 3.13Å; S99-C102 PolarHBondContact O-N 3.14Å; S99-C102 PolarHBondContact OG-N 3.16Å; S99-H104 PolarHBondContact OG-O 3.16Å; S99-L139 VanDerWaalsContact CB-CD2 3.45Å; S99-P140 PolarHBondContact N-O 2.8Å; S99-C141 WeakPolarHBondContact O-CA 3.05Å; S99-C141 WeakPolarHBondContact O-CB 3.49Å
100	E	71.3	Confident	77.7	Confident	172 Å²	172	41 Å²	41	80%	0.804	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.8	-173.4	-70.6	-177.2	158.3	0	0	113.1
101	N	81	Confident	77.5	Confident	109 Å²	109	38.6 Å²	38.6	58%	0.583	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.1	3.2	-175.2	-63.3	-20.7	0	0	0	114.2	S99 D103	S99-N101 PolarHBondContact O-N 2.89Å; S99-N101 VanDerWaalsContact O-N 3.13Å; N101-D103 WeakPolarHBondContact CB-OD2 3.27Å; N101-D103 PolarHBondContact O-N 3.13Å
102	C	88.6	Confident	76.8	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	55.2	15.7	-174.4	-61.4	0	0	0	0	115.6	S99 A135 C141 C147	S99-C102 PolarHBondContact O-N 3.14Å; S99-C102 PolarHBondContact OG-N 3.16Å; C102-A135 WeakPolarHBondContact O-CB 3.47Å; C102-C141 VanDerWaalsContact SG-CB 3.52Å; C102-C147 WeakPolarHBondContact CA-SG 3.39Å; C102-C147 HydrophobicContact CB-CB 3.58Å; C102-C147 WeakPolarHBondContact CB-SG 3.14Å; C102-C147 WeakPolarHBondContact SG-CA 3.44Å; C102-C147 WeakPolarHBondContact SG-CB 3.36Å; C102-C147 CovalentContact SG-SG 2.03Å; C102-C147 PolarHBondContact SG-SG 3.34Å
103	D	89.4	Confident	75.6	Confident	72 Å²	72	43.4 Å²	43.4	39%	0.385	22%	0.215	S	C	.	.	S	Bend	trans	-77.2	-53.1	174.6	-68.8	-41.4	0	0	0	110.1	N101 A135	N101-D103 WeakPolarHBondContact CB-OD2 3.27Å; N101-D103 PolarHBondContact O-N 3.13Å; D103-A135 PolarHBondContact O-N 3.43Å; D103-A135 VanDerWaalsContact O-N 3.17Å
104	H	89.5	Confident	74.5	Confident	98 Å²	98	43.5 Å²	43.5	45%	0.454	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.7	-169.3	-51	-50.9	0	0	0	112.5	S99 K132 L133	S99-H104 PolarHBondContact OG-O 3.16Å; H104-K132 HydrophobicContact CB-CB 4.4Å; H104-L133 CarbonylContact C-O 3.48Å; H104-L133 WeakPolarHBondContact CA-O 3.48Å
105	L	87	Confident	73.2	Confident	4 Å²	4	49 Å²	49	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122	160.1	172.8	61.2	0	0	0	108	A78 N81 A94 L133 L139	A78-L105 HydrophobicContact CB-CD1 3.87Å; N81-L105 HydrophobicContact CB-CD2 4.02Å; A94-L105 HydrophobicContact CB-CD1 4.2Å; L105-L133 HydrophobicContact CB-CB 4.46Å; L105-L133 PolarHBondContact N-O 3.34Å; L105-L133 PolarHBondContact O-N 2.91Å; L105-L139 HydrophobicContact CB-CD2 4.2Å; L105-L139 HydrophobicContact CD1-CD1 4.48Å; L105-L139 HydrophobicContact CD1-CD2 4.18Å
106	V	86	Confident	72	Confident	48 Å²	48	49.8 Å²	49.8	29%	0.291	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.5	177.3	-175.3	0	0	0	0	109.5	D130 K132	V106-D130 HydrophobicContact CG1-CB 4.03Å; V106-K132 HydrophobicContact CG2-CG 4.46Å
107	C	84.7	Confident	70.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112	172.7	-59.5	0	0	0	0	109.3	C82 L85 F92 Y93 H131	C82-C107 WeakPolarHBondContact CA-SG 3.35Å; C82-C107 HydrophobicContact CB-CB 3.66Å; C82-C107 WeakPolarHBondContact CB-SG 3.2Å; C82-C107 WeakPolarHBondContact SG-CA 3.17Å; C82-C107 WeakPolarHBondContact SG-CB 3.34Å; C82-C107 CovalentContact SG-SG 2.04Å; C82-C107 PolarHBondContact SG-SG 2.91Å; L85-C107 HydrophobicContact CD1-CB 4.02Å; F92-C107 HydrophobicContact CD1-CB 4.36Å; Y93-C107 CarbonylContact O-C 3.58Å; Y93-C107 WeakPolarHBondContact O-CA 3.39Å; C107-H131 HydrophobicContact CB-CB 4.32Å; C107-H131 PolarHBondContact N-O 3.46Å; C107-H131 PolarHBondContact O-N 2.77Å
108	R	83	Confident	69.8	Low	82 Å²	82	55.1 Å²	55.1	31%	0.309	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	143.5	172.6	-67.1	-163.1	174.5	166.3	2.9	109.4	F92 Y93	F92-R108 CarbonylContact C-O 3.53Å; F92-R108 VanDerWaalsContact CA-O 3.23Å; F92-R108 WeakPolarHBondContact CA-O 3.42Å; Y93-R108 HydrophobicContact CD1-CB 4.07Å; Y93-R108 VanDerWaalsContact CD1-O 3.3Å; Y93-R108 WeakPolarHBondContact CD1-O 3.04Å; Y93-R108 HydrophobicContact CE1-CB 3.39Å; Y93-R108 HydrophobicContact CE2-CB 4.05Å; Y93-R108 PolarHBondContact N-O 3.38Å; Y93-R108 PolarHBondContact O-N 3.32Å; Y93-R108 WeakPolarHBondContact OH-CB 3.3Å; Y93-R108 WeakPolarHBondContact OH-CD 2.97Å
109	S	82.2	Confident	68.6	Low	1 Å²	1	58.4 Å²	58.4	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.7	177	58.1	0	0	0	0	111.6	C91 G128 K129	C91-S109 CarbonylContact O-C 3.45Å; C91-S109 WeakPolarHBondContact O-CA 3.32Å; S109-G128 PolarHBondContact O-N 3.11Å; S109-G128 VanDerWaalsContact OG-C 3.26Å; S109-G128 WeakPolarHBondContact OG-CA 3.24Å; S109-K129 PolarHBondContact OG-N 3.13Å; S109-K129 PolarHBondContact OG-O 2.78Å
110	Y	73.3	Confident	67	Low	10 Å²	10	62.7 Å²	62.7	4%	0.039	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158	171.3	70.7	-97	0	0	0	111.3	C91 Y93 W112 Y125 E126 Y219 P232	C91-Y110 HydrophobicContact CB-CD1 4.04Å; C91-Y110 HydrophobicContact CB-CD2 3.95Å; C91-Y110 HydrophobicContact CB-CE1 3.59Å; C91-Y110 HydrophobicContact CB-CE2 3.42Å; C91-Y110 VanDerWaalsContact CB-CE2 3.42Å; C91-Y110 HydrophobicContact CB-CG 4.21Å; C91-Y110 PolarHBondContact N-O 3.4Å; C91-Y110 PolarHBondContact O-N 2.94Å; Y93-Y110 AromaticContact CD1-CD1 3.58Å; Y93-Y110 HydrophobicContact CD1-CD1 3.58Å; Y93-Y110 AromaticContact CD1-CE1 3.79Å; Y93-Y110 HydrophobicContact CD1-CE1 3.79Å; Y93-Y110 AromaticContact CE1-CD1 3.65Å; Y93-Y110 HydrophobicContact CE1-CD1 3.65Å; Y93-Y110 HydrophobicContact CE1-CE1 4.27Å; Y110-W112 AromaticContact CD2-NE1 3.83Å; Y110-W112 AromaticContact CE2-NE1 3.74Å; Y110-Y125 VanDerWaalsContact CB-CE2 3.44Å; Y110-Y125 HydrophobicContact CD2-CE2 4.15Å; Y110-Y125 AromaticContact CG-CE2 3.89Å; Y110-Y125 HydrophobicContact CG-CE2 3.89Å; Y110-E126 CarbonylContact C-O 3.5Å; Y110-E126 WeakPolarHBondContact CA-O 3.5Å; Y110-Y219 HydrophobicContact CE2-CE1 4.05Å; Y110-Y219 AromaticContact CE2-CZ 3.92Å; Y110-Y219 WeakPolarHBondContact CE2-OH 3.25Å; Y110-Y219 PolarHBondContact OH-OH 2.82Å; Y110-P232 HydrophobicContact CE2-CG 4.15Å
111	T	67.4	Low	65.8	Low	4 Å²	4	59.2 Å²	59.2	3%	0.025	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.5	169.7	-171	0	0	0	0	110.1	S89 M90 E126 T185	S89-T111 WeakPolarHBondContact O-CB 3.24Å; S89-T111 PolarHBondContact O-OG1 3.04Å; M90-T111 HydrophobicContact CE-CG2 4.41Å; T111-E126 HydrophobicContact CG2-CB 3.94Å; T111-E126 PolarHBondContact N-O 2.77Å; T111-E126 PolarHBondContact O-N 3.25Å; T111-T185 PolarHBondContact OG1-OG1 3.24Å
112	W	60.4	Low	64.2	Low	9 Å²	9	56.4 Å²	56.4	3%	0.034	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.6	172	-66.7	96.8	0	0	0	109.1	Y110 F114 V123 K124 Y125 T185 Y219 P232 C233	Y110-W112 AromaticContact CD2-NE1 3.83Å; Y110-W112 AromaticContact CE2-NE1 3.74Å; W112-F114 HydrophobicContact CB-CD2 4.29Å; W112-F114 HydrophobicContact CB-CE2 3.62Å; W112-F114 HydrophobicContact CB-CZ 4.34Å; W112-V123 HydrophobicContact CB-CG1 4.42Å; W112-V123 HydrophobicContact CD2-CG1 4.31Å; W112-V123 HydrophobicContact CE3-CG1 3.56Å; W112-V123 HydrophobicContact CZ3-CG1 4.17Å; W112-K124 WeakPolarHBondContact CA-O 3.37Å; W112-K124 VanDerWaalsContact CE3-C 3.47Å; W112-Y125 HydrophobicContact CD2-CD2 4.32Å; W112-Y125 AromaticContact CE2-CD2 3.8Å; W112-Y125 VanDerWaalsContact CE3-CA 3.46Å; W112-Y125 HydrophobicContact CE3-CD2 4.49Å; W112-Y125 VanDerWaalsContact CE3-N 3.32Å; W112-Y125 AromaticContact CH2-CD2 3.73Å; W112-Y125 HydrophobicContact CH2-CD2 3.73Å; W112-Y125 HydrophobicContact CH2-CG 4Å; W112-Y125 AromaticContact CZ2-CD2 3.44Å; W112-Y125 HydrophobicContact CZ2-CD2 3.44Å; W112-Y125 VanDerWaalsContact CZ2-CD2 3.44Å; W112-Y125 HydrophobicContact CZ2-CE2 4.29Å; W112-Y125 HydrophobicContact CZ2-CG 4.2Å; W112-Y125 VanDerWaalsContact CZ3-CA 3.48Å; W112-Y125 VanDerWaalsContact CZ3-CB 3.4Å; W112-Y125 HydrophobicContact CZ3-CD2 4.27Å; W112-Y125 HydrophobicContact CZ3-CG 4.32Å; W112-Y125 VanDerWaalsContact CZ3-N 3.31Å; W112-T185 PolarHBondContact O-N 2.99Å; W112-Y219 AromaticContact CD1-CE1 3.77Å; W112-Y219 AromaticContact CD1-CE2 3.53Å; W112-Y219 AromaticContact CD1-CZ 3.37Å; W112-Y219 HydrophobicContact CG-CE2 4.42Å; W112-Y219 AromaticContact NE1-CE2 3.53Å; W112-Y219 AromaticContact NE1-CZ 3.39Å; W112-Y219 PolarHBondContact NE1-OH 3.44Å; W112-Y219 VanDerWaalsContact NE1-OH 3.16Å; W112-P232 HydrophobicContact CZ2-CG 4.41Å; W112-C233 HydrophobicContact CD2-CB 4.17Å; W112-C233 HydrophobicContact CE3-CB 4.22Å; W112-C233 HydrophobicContact CH2-CB 3.44Å; W112-C233 VanDerWaalsContact CH2-CB 3.44Å; W112-C233 WeakPolarHBondContact CH2-O 3.25Å; W112-C233 HydrophobicContact CZ2-CB 3.42Å; W112-C233 VanDerWaalsContact CZ2-CB 3.42Å; W112-C233 VanDerWaalsContact CZ2-N 3.3Å; W112-C233 HydrophobicContact CZ3-CB 3.83Å
113	R	55.5	Low	62.6	Low	104 Å²	104	57.6 Å²	57.6	39%	0.392	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122	169.8	-68.8	-158.1	-167	-175.5	13.6	109.7	K124 E126	R113-K124 PolarHBondContact N-O 3.37Å; R113-K124 PolarHBondContact O-N 3.17Å; R113-E126 WeakPolarHBondContact CD-OE1 3.21Å; R113-E126 HydrophobicContact CG-CG 4.49Å; R113-E126 IonicContact CZ-OE1 3.74Å; R113-E126 IonicContact CZ-OE2 3.11Å; R113-E126 VanDerWaalsContact NE-CD 3.26Å; R113-E126 IonicContact NE-OE1 3.37Å; R113-E126 PolarHBondContact NE-OE1 3.33Å; R113-E126 IonicContact NE-OE2 2.67Å; R113-E126 PolarHBondContact NE-OE2 2.71Å; R113-E126 IonicContact NH2-OE2 2.92Å; R113-E126 PolarHBondContact NH2-OE2 3.37Å
114	F	51.2	Low	61.1	Low	7 Å²	7	60.2 Å²	60.2	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.6	173.7	-68.4	-101.5	0	0	0	108.1	W112 F121 V123 I184 L216 F249	W112-F114 HydrophobicContact CB-CD2 4.29Å; W112-F114 HydrophobicContact CB-CE2 3.62Å; W112-F114 HydrophobicContact CB-CZ 4.34Å; F114-F121 HydrophobicContact CD1-CE1 4.34Å; F114-F121 HydrophobicContact CD1-CE2 4.09Å; F114-F121 AromaticContact CD1-CZ 3.54Å; F114-F121 HydrophobicContact CD1-CZ 3.54Å; F114-F121 HydrophobicContact CE1-CE1 4.49Å; F114-F121 AromaticContact CE1-CZ 3.87Å; F114-F121 HydrophobicContact CE1-CZ 3.87Å; F114-V123 HydrophobicContact CD1-CB 4.45Å; F114-V123 HydrophobicContact CD1-CG1 4.29Å; F114-V123 HydrophobicContact CD1-CG2 3.59Å; F114-V123 HydrophobicContact CE1-CB 4.31Å; F114-V123 HydrophobicContact CE1-CG1 3.87Å; F114-V123 HydrophobicContact CE1-CG2 3.5Å; F114-V123 HydrophobicContact CE2-CG1 4.34Å; F114-V123 HydrophobicContact CZ-CG1 3.93Å; F114-V123 HydrophobicContact CZ-CG2 4.38Å; F114-I184 HydrophobicContact CD2-CB 4.41Å; F114-I184 HydrophobicContact CD2-CD1 3.78Å; F114-I184 HydrophobicContact CD2-CG1 4.03Å; F114-I184 HydrophobicContact CD2-CG2 3.6Å; F114-I184 HydrophobicContact CE2-CB 4.46Å; F114-I184 HydrophobicContact CE2-CD1 3.28Å; F114-I184 HydrophobicContact CE2-CG1 3.61Å; F114-I184 HydrophobicContact CE2-CG2 4.11Å; F114-I184 HydrophobicContact CG-CG2 4.47Å; F114-I184 HydrophobicContact CZ-CD1 3.79Å; F114-L216 HydrophobicContact CD1-CD2 4.37Å; F114-L216 HydrophobicContact CE1-CD2 4.26Å; F114-F249 HydrophobicContact CE1-CD1 4.31Å; F114-F249 AromaticContact CE1-CE1 3.76Å; F114-F249 HydrophobicContact CE1-CE1 3.76Å; F114-F249 HydrophobicContact CE1-CZ 4.04Å; F114-F249 HydrophobicContact CZ-CD1 4.12Å; F114-F249 AromaticContact CZ-CE1 3.52Å; F114-F249 HydrophobicContact CZ-CE1 3.52Å; F114-F249 HydrophobicContact CZ-CZ 4.16Å
115	K	45.3	Very low	60.2	Low	121 Å²	121	58.2 Å²	58.2	53%	0.526	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.7	172.3	-177.6	178.6	-179.7	-179.7	0	108.5	T122	K115-T122 PolarHBondContact N-O 2.83Å; K115-T122 PolarHBondContact O-N 3.01Å; K115-T122 PolarHBondContact O-OG1 3.47Å
116	I	41.8	Very low	59.4	Low	45 Å²	45	60 Å²	60	23%	0.231	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122	174.7	-51.7	-169.1	0	0	0	107.1	F121 L196 I199	I116-F121 HydrophobicContact CD1-CD2 4.04Å; I116-F121 HydrophobicContact CD1-CE2 4.03Å; I116-F121 HydrophobicContact CG1-CD2 3.8Å; I116-F121 HydrophobicContact CG1-CE2 4.05Å; I116-L196 HydrophobicContact CD1-CD1 3.86Å; I116-I199 HydrophobicContact CG2-CD1 4.04Å
117	S	42.7	Very low	59.1	Low	33 Å²	33	61.8 Å²	61.8	23%	0.231	29%	0.292	C	S	.	.			trans	-116.5	171.6	164.9	80.1	0	0	0	0	109.6	T119 Q120	S117-T119 PolarHBondContact O-N 3.41Å; S117-T119 VanDerWaalsContact O-N 3.09Å; S117-T119 PolarHBondContact OG-N 3.45Å; S117-Q120 PolarHBondContact N-O 3.13Å; S117-Q120 PolarHBondContact OG-N 2.91Å; S117-Q120 VanDerWaalsContact OG-N 3.15Å; S117-Q120 PolarHBondContact OG-O 3.34Å
118	Q	42.8	Very low	58.6	Low	163 Å²	163	62.8 Å²	62.8	76%	0.762	30%	0.302	S	S	*	.	S	Bend	trans	-55.6	-26.8	177.4	-69.8	-179.8	-11.7	0	0	113.8	I195	Q118-I195 HydrophobicContact CG-CD1 4.33Å; Q118-I195 HydrophobicContact CG-CG1 4.34Å; Q118-I195 HydrophobicContact CG-CG2 4.3Å
119	T	40.9	Very low	58.7	Low	134 Å²	134	67.1 Å²	67.1	82%	0.822	32%	0.323	S	S	*	.	S	Bend	trans	-115.9	-16.6	-173.4	55.5	0	0	0	0	114.2	S117	S117-T119 PolarHBondContact O-N 3.41Å; S117-T119 VanDerWaalsContact O-N 3.09Å; S117-T119 PolarHBondContact OG-N 3.45Å
120	Q	44.1	Very low	58.9	Low	101 Å²	101	71 Å²	71	47%	0.472	34%	0.344	S	S	.	.			trans	-144.3	139.3	-178.7	83.3	-175.5	7.7	0	0	112.6	S117 T122	S117-Q120 PolarHBondContact N-O 3.13Å; S117-Q120 PolarHBondContact OG-N 2.91Å; S117-Q120 VanDerWaalsContact OG-N 3.15Å; S117-Q120 PolarHBondContact OG-O 3.34Å; Q120-T122 HydrophobicContact CG-CG2 3.99Å
121	F	44.8	Very low	59.5	Low	99 Å²	99	74.8 Å²	74.8	43%	0.434	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.7	160.9	-179.6	-96.9	0	0	0	107.7	F114 I116 V123 L216	F114-F121 HydrophobicContact CD1-CE1 4.34Å; F114-F121 HydrophobicContact CD1-CE2 4.09Å; F114-F121 AromaticContact CD1-CZ 3.54Å; F114-F121 HydrophobicContact CD1-CZ 3.54Å; F114-F121 HydrophobicContact CE1-CE1 4.49Å; F114-F121 AromaticContact CE1-CZ 3.87Å; F114-F121 HydrophobicContact CE1-CZ 3.87Å; I116-F121 HydrophobicContact CD1-CD2 4.04Å; I116-F121 HydrophobicContact CD1-CE2 4.03Å; I116-F121 HydrophobicContact CG1-CD2 3.8Å; I116-F121 HydrophobicContact CG1-CE2 4.05Å; F121-V123 HydrophobicContact CD1-CG2 3.97Å; F121-V123 HydrophobicContact CE1-CG2 3.24Å; F121-V123 HydrophobicContact CZ-CG2 3.77Å; F121-L216 HydrophobicContact CZ-CD2 4.42Å
122	T	48.5	Very low	60.6	Low	49 Å²	49	81.7 Å²	81.7	30%	0.301	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.6	-179.9	32.1	0	0	0	0	110.6	K115 Q120	K115-T122 PolarHBondContact N-O 2.83Å; K115-T122 PolarHBondContact O-N 3.01Å; K115-T122 PolarHBondContact O-OG1 3.47Å; Q120-T122 HydrophobicContact CG-CG2 3.99Å
123	V	53.3	Low	61.9	Low	25 Å²	25	84 Å²	84	15%	0.152	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.5	175.6	-175.2	0	0	0	0	107.2	W112 F114 F121 W245 F249	W112-V123 HydrophobicContact CB-CG1 4.42Å; W112-V123 HydrophobicContact CD2-CG1 4.31Å; W112-V123 HydrophobicContact CE3-CG1 3.56Å; W112-V123 HydrophobicContact CZ3-CG1 4.17Å; F114-V123 HydrophobicContact CD1-CB 4.45Å; F114-V123 HydrophobicContact CD1-CG1 4.29Å; F114-V123 HydrophobicContact CD1-CG2 3.59Å; F114-V123 HydrophobicContact CE1-CB 4.31Å; F114-V123 HydrophobicContact CE1-CG1 3.87Å; F114-V123 HydrophobicContact CE1-CG2 3.5Å; F114-V123 HydrophobicContact CE2-CG1 4.34Å; F114-V123 HydrophobicContact CZ-CG1 3.93Å; F114-V123 HydrophobicContact CZ-CG2 4.38Å; F121-V123 HydrophobicContact CD1-CG2 3.97Å; F121-V123 HydrophobicContact CE1-CG2 3.24Å; F121-V123 HydrophobicContact CZ-CG2 3.77Å; V123-W245 HydrophobicContact CB-CH2 3.8Å; V123-W245 HydrophobicContact CB-CZ2 4.25Å; V123-W245 HydrophobicContact CG1-CH2 4.37Å; V123-W245 HydrophobicContact CG2-CH2 4.3Å; V123-W245 HydrophobicContact CG2-CZ2 4.26Å; V123-F249 HydrophobicContact CG1-CZ 4.08Å; V123-F249 HydrophobicContact CG2-CZ 4.09Å
124	K	59.4	Low	63.5	Low	128 Å²	128	85.5 Å²	85.5	56%	0.557	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.5	-178	-171.3	-173.4	172.9	-156.5	0	110.3	W112 R113 E126	W112-K124 WeakPolarHBondContact CA-O 3.37Å; W112-K124 VanDerWaalsContact CE3-C 3.47Å; R113-K124 PolarHBondContact N-O 3.37Å; R113-K124 PolarHBondContact O-N 3.17Å; K124-E126 HydrophobicContact CD-CG 4.44Å; K124-E126 IonicContact NZ-OE1 3.37Å; K124-E126 PolarHBondContact NZ-OE1 3.01Å
125	Y	69	Low	65.3	Low	55 Å²	55	85.4 Å²	85.4	22%	0.216	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.8	168.8	-178.6	-110.4	0	0	0	109.7	Y110 W112 Q127 D230	Y110-Y125 VanDerWaalsContact CB-CE2 3.44Å; Y110-Y125 HydrophobicContact CD2-CE2 4.15Å; Y110-Y125 AromaticContact CG-CE2 3.89Å; Y110-Y125 HydrophobicContact CG-CE2 3.89Å; W112-Y125 HydrophobicContact CD2-CD2 4.32Å; W112-Y125 AromaticContact CE2-CD2 3.8Å; W112-Y125 VanDerWaalsContact CE3-CA 3.46Å; W112-Y125 HydrophobicContact CE3-CD2 4.49Å; W112-Y125 VanDerWaalsContact CE3-N 3.32Å; W112-Y125 AromaticContact CH2-CD2 3.73Å; W112-Y125 HydrophobicContact CH2-CD2 3.73Å; W112-Y125 HydrophobicContact CH2-CG 4Å; W112-Y125 AromaticContact CZ2-CD2 3.44Å; W112-Y125 HydrophobicContact CZ2-CD2 3.44Å; W112-Y125 VanDerWaalsContact CZ2-CD2 3.44Å; W112-Y125 HydrophobicContact CZ2-CE2 4.29Å; W112-Y125 HydrophobicContact CZ2-CG 4.2Å; W112-Y125 VanDerWaalsContact CZ3-CA 3.48Å; W112-Y125 VanDerWaalsContact CZ3-CB 3.4Å; W112-Y125 HydrophobicContact CZ3-CD2 4.27Å; W112-Y125 HydrophobicContact CZ3-CG 4.32Å; W112-Y125 VanDerWaalsContact CZ3-N 3.31Å; Y125-Q127 HydrophobicContact CE1-CB 4Å; Y125-Q127 PolarHBondContact OH-NE2 3.36Å; Y125-Q127 PolarHBondContact OH-OE1 2.7Å; Y125-D230 PolarHBondContact OH-O 3.43Å
126	E	71.2	Confident	67.4	Low	42 Å²	42	81.2 Å²	81.2	20%	0.196	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.4	169.2	-65	-168.9	168.5	0	0	109.5	Y110 T111 R113 K124 G128	Y110-E126 CarbonylContact C-O 3.5Å; Y110-E126 WeakPolarHBondContact CA-O 3.5Å; T111-E126 HydrophobicContact CG2-CB 3.94Å; T111-E126 PolarHBondContact N-O 2.77Å; T111-E126 PolarHBondContact O-N 3.25Å; R113-E126 WeakPolarHBondContact CD-OE1 3.21Å; R113-E126 HydrophobicContact CG-CG 4.49Å; R113-E126 IonicContact CZ-OE1 3.74Å; R113-E126 IonicContact CZ-OE2 3.11Å; R113-E126 VanDerWaalsContact NE-CD 3.26Å; R113-E126 IonicContact NE-OE1 3.37Å; R113-E126 PolarHBondContact NE-OE1 3.33Å; R113-E126 IonicContact NE-OE2 2.67Å; R113-E126 PolarHBondContact NE-OE2 2.71Å; R113-E126 IonicContact NH2-OE2 2.92Å; R113-E126 PolarHBondContact NH2-OE2 3.37Å; K124-E126 HydrophobicContact CD-CG 4.44Å; K124-E126 IonicContact NZ-OE1 3.37Å; K124-E126 PolarHBondContact NZ-OE1 3.01Å; E126-G128 PolarHBondContact O-N 3.27Å
127	Q	78.8	Confident	69.7	Low	86 Å²	86	82.2 Å²	82.2	40%	0.402	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.7	168	-162	101.2	31.6	0	0	108.4	Y93 Y125	Y93-Q127 PolarHBondContact OH-NE2 2.85Å; Y125-Q127 HydrophobicContact CE1-CB 4Å; Y125-Q127 PolarHBondContact OH-NE2 3.36Å; Y125-Q127 PolarHBondContact OH-OE1 2.7Å
128	G	76	Confident	71.6	Confident	20 Å²	20	80.6 Å²	80.6	21%	0.206	39%	0.394	C	S	.	.			trans	-82	-166	169.6	0	0	0	0	0	111.7	S109 E126	S109-G128 PolarHBondContact O-N 3.11Å; S109-G128 VanDerWaalsContact OG-C 3.26Å; S109-G128 WeakPolarHBondContact OG-CA 3.24Å; E126-G128 PolarHBondContact O-N 3.27Å
129	K	84	Confident	73.5	Confident	173 Å²	173	72.9 Å²	72.9	75%	0.752	36%	0.358	S	S	*	.			trans	-86.1	145.9	176.3	-66.3	-176.8	-179.7	180	0	110.6	S109 H131	S109-K129 PolarHBondContact OG-N 3.13Å; S109-K129 PolarHBondContact OG-O 2.78Å; K129-H131 PolarHBondContact O-N 2.78Å
130	D	86	Confident	75.3	Confident	82 Å²	82	66.6 Å²	66.6	44%	0.439	32%	0.319	S	S	.	.			trans	-61.5	133.3	171.1	-68.1	1.7	0	0	0	110.6	V106	V106-D130 HydrophobicContact CG1-CB 4.03Å
131	H	87.2	Confident	77.3	Confident	90 Å²	90	62.5 Å²	62.5	42%	0.417	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.4	173.1	-89.2	40.1	0	0	0	109.5	L85 F92 C107 K129	L85-H131 HydrophobicContact CD1-CB 4.26Å; F92-H131 HydrophobicContact CE1-CB 4.22Å; F92-H131 AromaticContact CE1-CD2 3.98Å; F92-H131 AromaticContact CE1-CG 3.85Å; C107-H131 HydrophobicContact CB-CB 4.32Å; C107-H131 PolarHBondContact N-O 3.46Å; C107-H131 PolarHBondContact O-N 2.77Å; K129-H131 PolarHBondContact O-N 2.78Å
132	K	89.6	Confident	78.7	Confident	150 Å²	150	58.7 Å²	58.7	65%	0.652	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.3	176.1	-63	-175.2	180	-176.4	0	108.8	H104 V106	H104-K132 HydrophobicContact CB-CB 4.4Å; V106-K132 HydrophobicContact CG2-CG 4.46Å
133	L	88.1	Confident	79.8	Confident	58 Å²	58	62.7 Å²	62.7	30%	0.304	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	152.3	168.6	-61.6	178.7	0	0	0	109	L85 H104 L105 A135	L85-L133 HydrophobicContact CD1-CD1 3.93Å; L85-L133 HydrophobicContact CD1-CD2 4.24Å; L85-L133 HydrophobicContact CD1-CG 4.23Å; L85-L133 HydrophobicContact CD2-CD2 4.34Å; L85-L133 HydrophobicContact CG-CD1 4.33Å; H104-L133 CarbonylContact C-O 3.48Å; H104-L133 WeakPolarHBondContact CA-O 3.48Å; L105-L133 HydrophobicContact CB-CB 4.46Å; L105-L133 PolarHBondContact N-O 3.34Å; L105-L133 PolarHBondContact O-N 2.91Å; L133-A135 PolarHBondContact O-N 3.09Å
134	K	89.5	Confident	80.8	Confident	135 Å²	135	64.7 Å²	64.7	59%	0.587	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	134.4	166.2	-179.3	172.4	174.6	168.5	0	108.7	P136	K134-P136 WeakPolarHBondContact O-CD 3.22Å
135	A	88.9	Confident	81.9	Confident	4 Å²	4	61.9 Å²	61.9	3%	0.033	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-60.9	124	178.2	0	0	0	0	0	109.3	C102 D103 L133 L139	C102-A135 WeakPolarHBondContact O-CB 3.47Å; D103-A135 PolarHBondContact O-N 3.43Å; D103-A135 VanDerWaalsContact O-N 3.17Å; L133-A135 PolarHBondContact O-N 3.09Å; A135-L139 HydrophobicContact CB-CD2 4.16Å
136	P	88.5	Confident	82.7	Confident	34 Å²	34	59.3 Å²	59.3	22%	0.221	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-73.9	148.9	178.4	29.5	-33	0	0	0	110.4	V76 N81 K134 G138 L139	V76-P136 HydrophobicContact CG1-CG 3.82Å; N81-P136 VanDerWaalsContact ND2-CG 3.33Å; N81-P136 WeakPolarHBondContact ND2-CG 3.29Å; K134-P136 WeakPolarHBondContact O-CD 3.22Å; P136-G138 PolarHBondContact O-N 2.89Å; P136-L139 HydrophobicContact CG-CB 4.14Å; P136-L139 VanDerWaalsContact O-CB 3.29Å; P136-L139 WeakPolarHBondContact O-CB 3.39Å; P136-L139 PolarHBondContact O-N 3.41Å; P136-L139 VanDerWaalsContact O-N 3.16Å
137	D	89.8	Confident	83.5	Confident	65 Å²	65	57.3 Å²	57.3	35%	0.348	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	135.8	173.7	-65.2	-19.8	0	0	0	110.3	I72 V76 C147 Y148 K149	I72-D137 HydrophobicContact CD1-CB 3.82Å; V76-D137 WeakPolarHBondContact CG2-O 3.3Å; D137-C147 CarbonylContact C-O 3.58Å; D137-C147 VanDerWaalsContact CA-O 3.24Å; D137-C147 WeakPolarHBondContact CA-O 3.02Å; D137-Y148 HydrophobicContact CB-CD2 3.96Å; D137-Y148 WeakPolarHBondContact OD1-CA 3.08Å; D137-K149 PolarHBondContact OD1-N 2.04Å
138	G	83.5	Confident	84.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-2.7	-173	0	0	0	0	0	114.7	L75 V76 P136 C147	L75-G138 WeakPolarHBondContact CA-O 3.13Å; V76-G138 PolarHBondContact N-O 3.42Å; P136-G138 PolarHBondContact O-N 2.89Å; G138-C147 PolarHBondContact N-O 2.81Å
139	L	83.3	Confident	84.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.278	C	S	.	.			trans	-67.1	131.2	173.1	-173.5	71.4	0	0	0	110.3	V76 A78 S99 L105 A135 P136 C141 F146 C147	V76-L139 HydrophobicContact CG1-CD1 4.24Å; A78-L139 HydrophobicContact CB-CD1 3.7Å; S99-L139 VanDerWaalsContact CB-CD2 3.45Å; L105-L139 HydrophobicContact CB-CD2 4.2Å; L105-L139 HydrophobicContact CD1-CD1 4.48Å; L105-L139 HydrophobicContact CD1-CD2 4.18Å; A135-L139 HydrophobicContact CB-CD2 4.16Å; P136-L139 HydrophobicContact CG-CB 4.14Å; P136-L139 VanDerWaalsContact O-CB 3.29Å; P136-L139 WeakPolarHBondContact O-CB 3.39Å; P136-L139 PolarHBondContact O-N 3.41Å; P136-L139 VanDerWaalsContact O-N 3.16Å; L139-C141 PolarHBondContact O-N 2.95Å; L139-F146 CarbonylContact O-C 3.46Å; L139-F146 VanDerWaalsContact O-CA 3.24Å; L139-F146 WeakPolarHBondContact O-CA 3.14Å; L139-C147 HydrophobicContact CB-CB 4.28Å; L139-C147 PolarHBondContact O-N 3.17Å; L139-C147 PolarHBondContact O-SG 3.47Å
140	P	78.7	Confident	85	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	139.6	173.4	-27.9	37.6	0	0	0	112.4	V76 L98 S99 V161 L164	V76-P140 VanDerWaalsContact O-CD 3.3Å; V76-P140 WeakPolarHBondContact O-CD 3.33Å; L98-P140 CarbonylContact C-O 3.47Å; L98-P140 VanDerWaalsContact CA-O 3.24Å; L98-P140 WeakPolarHBondContact CA-O 2.97Å; L98-P140 HydrophobicContact CD2-CB 3.64Å; S99-P140 PolarHBondContact N-O 2.8Å; P140-V161 HydrophobicContact CB-CG1 4Å; P140-V161 HydrophobicContact CG-CG1 4.35Å; P140-L164 HydrophobicContact CG-CD1 4.24Å
141	C	85.7	Confident	85.2	Confident	14 Å²	14	53.6 Å²	53.6	10%	0.095	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	-3.2	175.3	57.8	0	0	0	0	113.5	S99 C102 L139 K145 F146 C152	S99-C141 WeakPolarHBondContact O-CA 3.05Å; S99-C141 WeakPolarHBondContact O-CB 3.49Å; C102-C141 VanDerWaalsContact SG-CB 3.52Å; L139-C141 PolarHBondContact O-N 2.95Å; C141-K145 PolarHBondContact N-O 3.03Å; C141-K145 VanDerWaalsContact SG-C 3.59Å; C141-F146 VanDerWaalsContact SG-CA 3.56Å; C141-F146 PolarHBondContact SG-N 2.84Å; C141-C152 HydrophobicContact CB-CB 3.84Å; C141-C152 WeakPolarHBondContact CB-SG 3.47Å; C141-C152 WeakPolarHBondContact SG-CA 3.26Å; C141-C152 WeakPolarHBondContact SG-CB 2.9Å; C141-C152 CovalentContact SG-SG 2.03Å; C141-C152 PolarHBondContact SG-SG 3.06Å
142	G	73.8	Confident	85.3	Confident	20 Å²	20	51.6 Å²	51.6	21%	0.206	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	-177.5	175.7	0	0	0	0	0	111.2	N144 K145	G142-N144 PolarHBondContact O-N 3.18Å; G142-K145 PolarHBondContact O-N 3.36Å
143	E	71.6	Confident	85.2	Confident	132 Å²	132	44.7 Å²	44.7	62%	0.617	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	121.6	171.7	-171.7	173.8	-173	0	0	109.3	K145 K162	E143-K145 PolarHBondContact O-N 3.04Å; E143-K162 WeakPolarHBondContact OE1-CE 3.3Å; E143-K162 IonicContact OE1-NZ 2.68Å; E143-K162 PolarHBondContact OE1-NZ 3.3Å
144	N	73.6	Confident	85.1	Confident	67 Å²	67	46.4 Å²	46.4	36%	0.358	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	32.6	-174.1	-58.7	-18.7	0	0	0	113.8	G142 A155	G142-N144 PolarHBondContact O-N 3.18Å; N144-A155 WeakPolarHBondContact O-CA 3.28Å; N144-A155 WeakPolarHBondContact O-CB 3.36Å; N144-A155 PolarHBondContact O-N 3.33Å
145	K	83.8	Confident	84.6	Confident	70 Å²	70	40.8 Å²	40.8	30%	0.304	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.8	176.8	-60.9	178.4	-168.9	-141.8	0	112.4	C141 G142 E143 C152 L153 E154	C141-K145 PolarHBondContact N-O 3.03Å; C141-K145 VanDerWaalsContact SG-C 3.59Å; G142-K145 PolarHBondContact O-N 3.36Å; E143-K145 PolarHBondContact O-N 3.04Å; K145-C152 VanDerWaalsContact CB-SG 3.59Å; K145-L153 CarbonylContact C-O 3.56Å; K145-L153 WeakPolarHBondContact CA-O 3.19Å; K145-L153 WeakPolarHBondContact CB-O 3.15Å; K145-E154 VanDerWaalsContact CE-CD 3.48Å; K145-E154 WeakPolarHBondContact CE-OE1 3.48Å; K145-E154 IonicContact NZ-OE1 2.68Å; K145-E154 PolarHBondContact NZ-OE1 3.35Å
146	F	84.1	Confident	84	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.9	174.8	66.7	-94.6	0	0	0	112.3	A68 I72 L75 L139 C141 L153 A155 F159	A68-F146 HydrophobicContact CB-CE2 3.79Å; A68-F146 HydrophobicContact CB-CZ 3.8Å; I72-F146 HydrophobicContact CB-CE2 4.08Å; I72-F146 HydrophobicContact CB-CZ 4.28Å; I72-F146 HydrophobicContact CG1-CD2 4.22Å; I72-F146 HydrophobicContact CG1-CE2 3.58Å; I72-F146 HydrophobicContact CG1-CZ 4.23Å; I72-F146 HydrophobicContact CG2-CE2 4.42Å; L75-F146 HydrophobicContact CD2-CB 3.82Å; L75-F146 HydrophobicContact CD2-CD1 4.16Å; L75-F146 HydrophobicContact CD2-CG 4.15Å; L139-F146 CarbonylContact O-C 3.46Å; L139-F146 VanDerWaalsContact O-CA 3.24Å; L139-F146 WeakPolarHBondContact O-CA 3.14Å; C141-F146 VanDerWaalsContact SG-CA 3.56Å; C141-F146 PolarHBondContact SG-N 2.84Å; F146-L153 PolarHBondContact N-O 3.37Å; F146-L153 PolarHBondContact O-N 3.11Å; F146-A155 HydrophobicContact CD1-CB 3.63Å; F146-A155 HydrophobicContact CE1-CB 3.81Å; F146-F159 HydrophobicContact CE1-CD2 4.22Å; F146-F159 HydrophobicContact CE1-CE2 4.19Å
147	C	89.2	Confident	82.9	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.1	178.8	-63	0	0	0	0	111.4	C102 D137 G138 L139 Q151	C102-C147 WeakPolarHBondContact CA-SG 3.39Å; C102-C147 HydrophobicContact CB-CB 3.58Å; C102-C147 WeakPolarHBondContact CB-SG 3.14Å; C102-C147 WeakPolarHBondContact SG-CA 3.44Å; C102-C147 WeakPolarHBondContact SG-CB 3.36Å; C102-C147 CovalentContact SG-SG 2.03Å; C102-C147 PolarHBondContact SG-SG 3.34Å; D137-C147 CarbonylContact C-O 3.58Å; D137-C147 VanDerWaalsContact CA-O 3.24Å; D137-C147 WeakPolarHBondContact CA-O 3.02Å; G138-C147 PolarHBondContact N-O 2.81Å; L139-C147 HydrophobicContact CB-CB 4.28Å; L139-C147 PolarHBondContact O-N 3.17Å; L139-C147 PolarHBondContact O-SG 3.47Å; C147-Q151 CarbonylContact C-O 3.57Å; C147-Q151 WeakPolarHBondContact CA-O 3.35Å
148	Y	91.3	Very high	81.6	Confident	10 Å²	10	55.2 Å²	55.2	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	125.6	168.3	-174.8	-110.3	0	0	0	109.3	L64 E67 A68 K71 I72 D137 Q150 Q151 L153	L64-Y148 HydrophobicContact CD2-CD1 3.97Å; L64-Y148 HydrophobicContact CD2-CE1 4.03Å; E67-Y148 HydrophobicContact CG-CE1 4.3Å; E67-Y148 PolarHBondContact OE1-OH 3.2Å; A68-Y148 HydrophobicContact CB-CD1 3.56Å; A68-Y148 HydrophobicContact CB-CD2 4.1Å; A68-Y148 HydrophobicContact CB-CE1 4.18Å; A68-Y148 HydrophobicContact CB-CG 3.52Å; K71-Y148 WeakPolarHBondContact CD-OH 3.36Å; I72-Y148 HydrophobicContact CD1-CD2 4.31Å; I72-Y148 HydrophobicContact CG1-CD2 4.3Å; D137-Y148 HydrophobicContact CB-CD2 3.96Å; D137-Y148 WeakPolarHBondContact OD1-CA 3.08Å; Y148-Q150 PolarHBondContact O-N 3.11Å; Y148-Q150 VanDerWaalsContact O-N 3.16Å; Y148-Q151 PolarHBondContact N-O 3.47Å; Y148-Q151 PolarHBondContact O-N 2.93Å; Y148-L153 HydrophobicContact CD1-CD1 4.04Å; Y148-L153 HydrophobicContact CG-CD1 4.36Å
149	K	90.2	Very high	80.2	Confident	99 Å²	99	55.9 Å²	55.9	43%	0.43	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	42.4	-176.9	-64.4	175.4	179.3	163.1	0	112.5	L64 E67 D137 Q151	L64-K149 HydrophobicContact CD2-CD 3.81Å; E67-K149 IonicContact OE1-NZ 3.6Å; E67-K149 PolarHBondContact OE1-NZ 3.42Å; E67-K149 IonicContact OE2-NZ 3.53Å; E67-K149 PolarHBondContact OE2-NZ 3.02Å; D137-K149 PolarHBondContact OD1-N 2.04Å; K149-Q151 PolarHBondContact O-N 2.83Å
150	Q	89	Confident	78.5	Confident	88 Å²	88	60.9 Å²	60.9	41%	0.411	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	15.4	-178.8	-54.5	173.5	-54.6	0	0	115.5	Y148	Y148-Q150 PolarHBondContact O-N 3.11Å; Y148-Q150 VanDerWaalsContact O-N 3.16Å
151	Q	89.5	Confident	76.8	Confident	85 Å²	85	60.8 Å²	60.8	40%	0.397	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.6	171.7	-62	-175.1	8.5	0	0	110.1	C147 Y148 K149 L153	C147-Q151 CarbonylContact C-O 3.57Å; C147-Q151 WeakPolarHBondContact CA-O 3.35Å; Y148-Q151 PolarHBondContact N-O 3.47Å; Y148-Q151 PolarHBondContact O-N 2.93Å; K149-Q151 PolarHBondContact O-N 2.83Å; Q151-L153 HydrophobicContact CB-CD2 4Å; Q151-L153 HydrophobicContact CB-CG 4.31Å; Q151-L153 PolarHBondContact O-N 3.35Å
152	C	88.8	Confident	74.3	Confident	48 Å²	48	66.1 Å²	66.1	32%	0.324	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	107.7	174.3	-175.4	0	0	0	0	109.2	C141 K145	C141-C152 HydrophobicContact CB-CB 3.84Å; C141-C152 WeakPolarHBondContact CB-SG 3.47Å; C141-C152 WeakPolarHBondContact SG-CA 3.26Å; C141-C152 WeakPolarHBondContact SG-CB 2.9Å; C141-C152 CovalentContact SG-SG 2.03Å; C141-C152 PolarHBondContact SG-SG 3.06Å; K145-C152 VanDerWaalsContact CB-SG 3.59Å
153	L	88.6	Confident	72.3	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154.2	-173.2	-56.9	-178.5	0	0	0	111.5	T61 L64 A68 K145 F146 Y148 Q151	T61-L153 HydrophobicContact CG2-CD2 4.46Å; L64-L153 HydrophobicContact CB-CD1 4.15Å; A68-L153 HydrophobicContact CB-CD1 3.73Å; K145-L153 CarbonylContact C-O 3.56Å; K145-L153 WeakPolarHBondContact CA-O 3.19Å; K145-L153 WeakPolarHBondContact CB-O 3.15Å; F146-L153 PolarHBondContact N-O 3.37Å; F146-L153 PolarHBondContact O-N 3.11Å; Y148-L153 HydrophobicContact CD1-CD1 4.04Å; Y148-L153 HydrophobicContact CG-CD1 4.36Å; Q151-L153 HydrophobicContact CB-CD2 4Å; Q151-L153 HydrophobicContact CB-CG 4.31Å; Q151-L153 PolarHBondContact O-N 3.35Å
154	E	86.8	Confident	70.6	Confident	94 Å²	94	67.7 Å²	67.7	44%	0.439	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.5	175.8	-65.7	-69.1	166.5	0	0	111.3	T65 N69 K145	T65-E154 HydrophobicContact CG2-CB 4.33Å; N69-E154 PolarHBondContact ND2-O 2.78Å; K145-E154 VanDerWaalsContact CE-CD 3.48Å; K145-E154 WeakPolarHBondContact CE-OE1 3.48Å; K145-E154 IonicContact NZ-OE1 2.68Å; K145-E154 PolarHBondContact NZ-OE1 3.35Å
155	A	77.3	Confident	68.6	Low	16 Å²	16	68.2 Å²	68.2	13%	0.132	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-96.7	135.2	177.6	0	0	0	0	0	110.8	N144 F146 F159 V161	N144-A155 WeakPolarHBondContact O-CA 3.28Å; N144-A155 WeakPolarHBondContact O-CB 3.36Å; N144-A155 PolarHBondContact O-N 3.33Å; F146-A155 HydrophobicContact CD1-CB 3.63Å; F146-A155 HydrophobicContact CE1-CB 3.81Å; A155-F159 HydrophobicContact CB-CB 4.12Å; A155-F159 HydrophobicContact CB-CD2 4.15Å; A155-V161 HydrophobicContact CB-CG2 4.27Å
156	E	76.2	Confident	66.1	Low	93 Å²	93	71.3 Å²	71.3	44%	0.435	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-63.9	153.3	166.5	-74.4	175.2	176.8	0	0	110.9	N69 K158 F159	N69-E156 HydrophobicContact CB-CG 3.96Å; N69-E156 PolarHBondContact OD1-N 3.31Å; E156-K158 HydrophobicContact CB-CD 4.5Å; E156-K158 HydrophobicContact CB-CG 4.24Å; E156-K158 PolarHBondContact O-N 3.47Å; E156-K158 VanDerWaalsContact OE2-CE 3.32Å; E156-K158 WeakPolarHBondContact OE2-CE 3.39Å; E156-K158 IonicContact OE2-NZ 2.74Å; E156-K158 PolarHBondContact OE2-NZ 3.5Å; E156-F159 PolarHBondContact O-N 3Å
157	E	65.8	Low	63.5	Low	194 Å²	194	73.7 Å²	73.7	91%	0.907	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-22.8	-176.6	-71.6	-173.1	151.4	0	0	114.7	F159	E157-F159 PolarHBondContact O-N 3.24Å
158	K	61.9	Low	60.7	Low	120 Å²	120	86 Å²	86	52%	0.522	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.8	176.7	72.3	-169	-178	-154.4	0	113.6	N69 E156	N69-K158 VanDerWaalsContact O-CE 3.31Å; N69-K158 WeakPolarHBondContact O-CE 3.24Å; N69-K158 PolarHBondContact O-NZ 3.46Å; E156-K158 HydrophobicContact CB-CD 4.5Å; E156-K158 HydrophobicContact CB-CG 4.24Å; E156-K158 PolarHBondContact O-N 3.47Å; E156-K158 VanDerWaalsContact OE2-CE 3.32Å; E156-K158 WeakPolarHBondContact OE2-CE 3.39Å; E156-K158 IonicContact OE2-NZ 2.74Å; E156-K158 PolarHBondContact OE2-NZ 3.5Å
159	F	54.9	Low	57.6	Low	13 Å²	13	89.6 Å²	89.6	6%	0.057	44%	0.435	C	S	.	.			trans	-94.3	105	177.6	-62	-72.1	0	0	0	110.7	N69 I72 L75 F146 A155 E156 E157 V161	N69-F159 WeakPolarHBondContact OD1-CE2 3.33Å; I72-F159 HydrophobicContact CB-CZ 4.31Å; I72-F159 HydrophobicContact CG2-CE1 4.01Å; I72-F159 HydrophobicContact CG2-CZ 4.19Å; I72-F159 WeakPolarHBondContact O-CZ 3.47Å; L75-F159 HydrophobicContact CD1-CB 4.23Å; L75-F159 HydrophobicContact CD2-CB 4.34Å; L75-F159 HydrophobicContact CD2-CD1 4.21Å; L75-F159 HydrophobicContact CD2-CG 4.43Å; L75-F159 HydrophobicContact CG-CB 4.29Å; L75-F159 HydrophobicContact CG-CD1 4.11Å; F146-F159 HydrophobicContact CE1-CD2 4.22Å; F146-F159 HydrophobicContact CE1-CE2 4.19Å; A155-F159 HydrophobicContact CB-CB 4.12Å; A155-F159 HydrophobicContact CB-CD2 4.15Å; E156-F159 PolarHBondContact O-N 3Å; E157-F159 PolarHBondContact O-N 3.24Å; F159-V161 HydrophobicContact CB-CG2 4.29Å; F159-V161 PolarHBondContact O-N 2.02Å
160	N	48.5	Very low	54.5	Low	105 Å²	105	91 Å²	91	56%	0.561	45%	0.451	S	S	*	.			trans	-75.8	64.6	174.6	-81.7	-42.5	0	0	0	112.3	K162 Q163	N160-K162 PolarHBondContact O-N 3.43Å; N160-K162 VanDerWaalsContact O-N 3.15Å; N160-Q163 HydrophobicContact CB-CG 4.41Å; N160-Q163 PolarHBondContact O-N 2.03Å
161	V	43.3	Very low	51.4	Low	2 Å²	2	89.2 Å²	89.2	1%	0.012	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-56.6	-32.3	179.2	-174.6	0	0	0	0	111.5	L75 P140 A155 F159 Q163 L164	L75-V161 VanDerWaalsContact CD1-CA 3.5Å; L75-V161 HydrophobicContact CD1-CB 3.93Å; L75-V161 HydrophobicContact CD1-CG1 4.4Å; L75-V161 HydrophobicContact CD1-CG2 3.44Å; L75-V161 VanDerWaalsContact CD1-CG2 3.44Å; L75-V161 HydrophobicContact CD2-CG2 4.16Å; L75-V161 HydrophobicContact CG-CG2 4.43Å; P140-V161 HydrophobicContact CB-CG1 4Å; P140-V161 HydrophobicContact CG-CG1 4.35Å; A155-V161 HydrophobicContact CB-CG2 4.27Å; F159-V161 HydrophobicContact CB-CG2 4.29Å; F159-V161 PolarHBondContact O-N 2.02Å; V161-Q163 PolarHBondContact O-N 3.17Å; V161-Q163 VanDerWaalsContact O-N 3.13Å; V161-L164 PolarHBondContact O-N 3.01Å; V161-L164 VanDerWaalsContact O-N 3.13Å
162	K	33.1	Very low	48.4	Very low	126 Å²	126	86.3 Å²	86.3	55%	0.548	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-59	-25.5	-179.6	-66.8	-169.3	179.3	-162	0	114.5	E143 N160 L164	E143-K162 WeakPolarHBondContact OE1-CE 3.3Å; E143-K162 IonicContact OE1-NZ 2.68Å; E143-K162 PolarHBondContact OE1-NZ 3.3Å; N160-K162 PolarHBondContact O-N 3.43Å; N160-K162 VanDerWaalsContact O-N 3.15Å; K162-L164 VanDerWaalsContact C-N 3.3Å; K162-L164 PolarHBondContact O-N 2.84Å
163	Q	30.5	Very low	45.6	Very low	145 Å²	145	88.5 Å²	88.5	68%	0.678	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-76.7	-16.7	-179.2	-72.4	-175.8	-14.2	0	0	113.5	N160 V161	N160-Q163 HydrophobicContact CB-CG 4.41Å; N160-Q163 PolarHBondContact O-N 2.03Å; V161-Q163 PolarHBondContact O-N 3.17Å; V161-Q163 VanDerWaalsContact O-N 3.13Å
164	L	35.8	Very low	42.4	Very low	40 Å²	40	95.6 Å²	95.6	21%	0.209	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-97.9	1.1	-180	-66.1	170.5	0	0	0	113.1	L75 M97 P140 V161 K162	L75-L164 HydrophobicContact CB-CD1 3.85Å; L75-L164 HydrophobicContact CD1-CD1 4.1Å; M97-L164 WeakPolarHBondContact CB-O 3.32Å; M97-L164 HydrophobicContact CE-CB 4.19Å; M97-L164 HydrophobicContact CE-CD2 3.95Å; M97-L164 WeakPolarHBondContact CG-O 3.11Å; P140-L164 HydrophobicContact CG-CD1 4.24Å; V161-L164 PolarHBondContact O-N 3.01Å; V161-L164 VanDerWaalsContact O-N 3.13Å; K162-L164 VanDerWaalsContact C-N 3.3Å; K162-L164 PolarHBondContact O-N 2.84Å
165	V	31.5	Very low	39.3	Very low	77 Å²	77	95.3 Å²	95.3	47%	0.467	48%	0.484	S	S	.	.	S	Bend	trans	-74	135.8	178.7	-169.2	0	0	0	0	109.2	S167	V165-S167 PolarHBondContact O-N 2.46Å
166	E	32.9	Very low	36.7	Very low	136 Å²	136	102.6 Å²	102.6	64%	0.636	52%	0.52	S	S	*	.			trans	-46	115.9	-175.3	-160.8	173.4	-152.5	0	0	112.4	R168	E166-R168 PolarHBondContact O-N 3.38Å
167	S	28.7	Very low	34.2	Very low	49 Å²	49	104.4 Å²	104.4	34%	0.343	53%	0.533	S	S	.	.			trans	-60.7	123.1	172.5	152.7	0	0	0	0	109.1	V165 S169	V165-S167 PolarHBondContact O-N 2.46Å; S167-S169 PolarHBondContact O-N 2.95Å; S167-S169 VanDerWaalsContact O-N 3.16Å; S167-S169 PolarHBondContact OG-N 2.96Å; S167-S169 VanDerWaalsContact OG-N 3.14Å; S167-S169 PolarHBondContact OG-O 2.8Å; S167-S169 PolarHBondContact OG-OG 2.83Å
168	R	29.4	Very low	32.2	Very low	259 Å²	259	98.7 Å²	98.7	98%	0.977	53%	0.526	S	S	*	.	S	Bend	trans	-66.6	-9.2	173.1	-67.9	-175.3	179.2	-176.8	0.3	113.4	E166	E166-R168 PolarHBondContact O-N 3.38Å
169	S	26.3	Very low	30.4	Very low	87 Å²	87	99.3 Å²	99.3	61%	0.608	54%	0.535	S	S	*	.	S	Bend	trans	-94.9	135.5	174.8	35.2	0	0	0	0	111.6	S167 G171	S167-S169 PolarHBondContact O-N 2.95Å; S167-S169 VanDerWaalsContact O-N 3.16Å; S167-S169 PolarHBondContact OG-N 2.96Å; S167-S169 VanDerWaalsContact OG-N 3.14Å; S167-S169 PolarHBondContact OG-O 2.8Å; S167-S169 PolarHBondContact OG-OG 2.83Å; S169-G171 PolarHBondContact O-N 3.5Å; S169-G171 VanDerWaalsContact O-N 3.13Å
170	V	25	Very low	29.2	Very low	129 Å²	129	107.7 Å²	107.7	78%	0.782	57%	0.571	S	S	*	*	S	Bend	trans	-56.9	113.5	172.6	-171.6	0	0	0	0	109
171	G	25.2	Very low	28.2	Very low	49 Å²	49	104.9 Å²	104.9	51%	0.505	56%	0.558	S	S	.	*			trans	162	98.5	179.4	0	0	0	0	0	109.4	S169	S169-G171 PolarHBondContact O-N 3.5Å; S169-G171 VanDerWaalsContact O-N 3.13Å
172	G	26	Very low	27.4	Very low	24 Å²	24	108.5 Å²	108.5	25%	0.247	58%	0.577	C	S	.	*			trans	-69.7	176.8	176.7	0	0	0	0	0	112.5	P226 Y227	G172-P226 VanDerWaalsContact CA-CB 3.49Å; G172-Y227 WeakPolarHBondContact CA-O 3.12Å
173	W	29.6	Very low	27.3	Very low	95 Å²	95	102.5 Å²	102.5	36%	0.36	55%	0.551	S	S	.	*	B	Isolated β-bridge	trans	-89.7	140	-168.5	-48.5	88.6	0	0	0	110.4	Y227	W173-Y227 PolarHBondContact N-O 3.32Å; W173-Y227 WeakPolarHBondContact O-CB 3.38Å; W173-Y227 WeakPolarHBondContact O-CD2 3.31Å; W173-Y227 PolarHBondContact O-N 3Å
174	E	22.5	Very low	27.2	Very low	155 Å²	155	96.7 Å²	96.7	72%	0.724	52%	0.524	S	S	*	.			trans	-103.8	125.1	173.8	-81.7	-175.7	160.1	0	0	109.9
175	L	21.8	Very low	26.8	Very low	88 Å²	88	97.3 Å²	97.3	46%	0.461	53%	0.53	S	S	.	.			trans	-121.6	113.9	161.7	-139.3	124.6	0	0	0	106.5	E80 D177 Y227	E80-L175 VanDerWaalsContact OE1-CD1 3.3Å; E80-L175 WeakPolarHBondContact OE1-CD1 2.98Å; L175-D177 VanDerWaalsContact C-N 3.26Å; L175-D177 PolarHBondContact O-N 2.9Å; L175-Y227 HydrophobicContact CB-CD2 4.09Å; L175-Y227 HydrophobicContact CB-CE2 3.42Å; L175-Y227 VanDerWaalsContact CB-CE2 3.42Å
176	L	22.9	Very low	26.7	Very low	168 Å²	168	96.5 Å²	96.5	88%	0.88	52%	0.522	S	S	*	.			trans	-76	81.8	173.6	-76.3	159.9	0	0	0	107.8
177	D	23.5	Very low	26.5	Very low	132 Å²	132	94.3 Å²	94.3	71%	0.706	51%	0.514	S	S	*	.			trans	-143.7	128.6	156.9	-130.4	-16.4	0	0	0	112.5	L175 D179	L175-D177 VanDerWaalsContact C-N 3.26Å; L175-D177 PolarHBondContact O-N 2.9Å; D177-D179 PolarHBondContact O-N 2.8Å
178	G	23.2	Very low	26.6	Very low	74 Å²	74	95.2 Å²	95.2	76%	0.763	51%	0.514	S	S	*	.			trans	-81.4	99	-167.6	0	0	0	0	0	111.2
179	D	24.8	Very low	26.8	Very low	132 Å²	132	88.9 Å²	88.9	71%	0.706	49%	0.493	S	S	*	.			trans	-130.1	125.3	155.8	-124.3	-17.4	0	0	0	111.4	D177 T181 T222	D177-D179 PolarHBondContact O-N 2.8Å; D179-T181 PolarHBondContact O-N 2.79Å; D179-T181 VanDerWaalsContact O-N 3.12Å; D179-T222 PolarHBondContact O-OG1 3.28Å
180	K	28.4	Very low	27.6	Very low	190 Å²	190	89.9 Å²	89.9	83%	0.826	50%	0.5	S	S	*	.			trans	-86.1	75.5	-167.9	-66	178.7	-179.7	177.5	0	110.6
181	T	28.8	Very low	28.4	Very low	45 Å²	45	89.8 Å²	89.8	28%	0.276	49%	0.49	S	S	.	.			trans	-95.6	102.4	167.2	34.3	0	0	0	0	109.8	N86 D179 S220 C221	N86-T181 HydrophobicContact CB-CG2 4.49Å; D179-T181 PolarHBondContact O-N 2.79Å; D179-T181 VanDerWaalsContact O-N 3.12Å; T181-S220 CarbonylContact O-C 3.49Å; T181-S220 WeakPolarHBondContact O-CA 3.28Å; T181-S220 WeakPolarHBondContact O-CB 3.06Å; T181-C221 PolarHBondContact O-N 2.87Å; T181-C221 PolarHBondContact O-SG 3.19Å
182	L	25.8	Very low	29.2	Very low	79 Å²	79	88.7 Å²	88.7	41%	0.414	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-71.7	138.7	175.6	-76.2	138	0	0	0	109.9	N87 A88 F218 Y219	N87-L182 CarbonylContact C-O 3.53Å; A88-L182 CarbonylContact C-O 3.39Å; A88-L182 WeakPolarHBondContact CA-O 3.1Å; A88-L182 CarbonylContact O-C 3.54Å; L182-F218 HydrophobicContact CD2-CB 3.19Å; L182-F218 HydrophobicContact CD2-CG 4.45Å; L182-F218 WeakPolarHBondContact CD2-O 3.16Å; L182-Y219 WeakPolarHBondContact CA-O 3.45Å
183	C	30.7	Very low	29.9	Very low	0 Å²	0	93.6 Å²	93.6	0%	0	49%	0.486	C	S	.	.			trans	-122.8	76.1	172.5	-70.6	0	0	0	0	110.3	M90 C91 Y219 C221	M90-C183 PolarHBondContact O-SG 2.79Å; M90-C183 VanDerWaalsContact O-SG 3.38Å; C91-C183 WeakPolarHBondContact CA-SG 3.18Å; C91-C183 HydrophobicContact CB-CB 4.15Å; C91-C183 WeakPolarHBondContact CB-SG 2.9Å; C91-C183 PolarHBondContact N-SG 3.19Å; C91-C183 WeakPolarHBondContact SG-CB 2.93Å; C91-C183 CovalentContact SG-SG 2.04Å; C91-C183 PolarHBondContact SG-SG 2.91Å; C183-Y219 HydrophobicContact CB-CD1 4.05Å; C183-Y219 HydrophobicContact CB-CE1 4.11Å; C183-Y219 PolarHBondContact N-O 2.86Å; C183-C221 PolarHBondContact SG-SG 2.81Å
184	I	27.6	Very low	30.6	Very low	23 Å²	23	95.3 Å²	95.3	12%	0.118	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	126.4	175.3	-66.6	-171.9	0	0	0	109.4	A88 F114 M186 F218 Y219	A88-I184 PolarHBondContact O-N 3.14Å; F114-I184 HydrophobicContact CD2-CB 4.41Å; F114-I184 HydrophobicContact CD2-CD1 3.78Å; F114-I184 HydrophobicContact CD2-CG1 4.03Å; F114-I184 HydrophobicContact CD2-CG2 3.6Å; F114-I184 HydrophobicContact CE2-CB 4.46Å; F114-I184 HydrophobicContact CE2-CD1 3.28Å; F114-I184 HydrophobicContact CE2-CG1 3.61Å; F114-I184 HydrophobicContact CE2-CG2 4.11Å; F114-I184 HydrophobicContact CG-CG2 4.47Å; F114-I184 HydrophobicContact CZ-CD1 3.79Å; I184-M186 HydrophobicContact CG2-CG 3.6Å; I184-F218 HydrophobicContact CB-CD1 4.47Å; I184-F218 HydrophobicContact CD1-CB 3.84Å; I184-F218 HydrophobicContact CD1-CD1 3.55Å; I184-F218 HydrophobicContact CD1-CG 4.18Å; I184-F218 HydrophobicContact CG2-CD1 4.31Å; I184-Y219 VanDerWaalsContact CD1-N 3.29Å
185	T	27.8	Very low	31.5	Very low	53 Å²	53	89.2 Å²	89.2	33%	0.325	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	101.6	163.4	-35.8	0	0	0	0	107.2	T111 W112 D187	T111-T185 PolarHBondContact OG1-OG1 3.24Å; W112-T185 PolarHBondContact O-N 2.99Å; T185-D187 PolarHBondContact O-N 3.33Å
186	M	28.9	Very low	32.4	Very low	60 Å²	60	87.5 Å²	87.5	30%	0.296	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108.8	171.6	-66.4	-172.6	83.4	0	0	108.3	I184 M188 L196 F218	I184-M186 HydrophobicContact CG2-CG 3.6Å; M186-M188 HydrophobicContact CB-CG 4.05Å; M186-M188 HydrophobicContact CB-SD 4.24Å; M186-M188 HydrophobicContact CE-CG 4.01Å; M186-M188 HydrophobicContact CE-SD 3.3Å; M186-M188 WeakPolarHBondContact CE-SD 2.73Å; M186-M188 PolarHBondContact O-N 2.88Å; M186-M188 HydrophobicContact SD-SD 3.8Å; M186-L196 HydrophobicContact CE-CD1 3.99Å; M186-F218 HydrophobicContact CE-CE1 3.81Å; M186-F218 HydrophobicContact CE-CZ 3.96Å; M186-F218 HydrophobicContact CG-CE1 4.06Å; M186-F218 HydrophobicContact SD-CD1 4.28Å; M186-F218 HydrophobicContact SD-CE1 3.24Å; M186-F218 WeakPolarHBondContact SD-CE1 3.42Å; M186-F218 HydrophobicContact SD-CZ 3.47Å; M186-F218 WeakPolarHBondContact SD-CZ 3.42Å
187	D	29.1	Very low	33.4	Very low	90 Å²	90	83.5 Å²	83.5	48%	0.481	44%	0.441	S	S	.	.			trans	-78.1	76.6	168.7	-168.4	7	0	0	0	108.1	T185	T185-D187 PolarHBondContact O-N 3.33Å
188	M	30.8	Very low	34.3	Very low	68 Å²	68	83.5 Å²	83.5	34%	0.335	44%	0.441	S	S	.	.			trans	-97	96	175.9	-76	177.1	76.2	0	0	109	M186 K193 L196	M186-M188 HydrophobicContact CB-CG 4.05Å; M186-M188 HydrophobicContact CB-SD 4.24Å; M186-M188 HydrophobicContact CE-CG 4.01Å; M186-M188 HydrophobicContact CE-SD 3.3Å; M186-M188 WeakPolarHBondContact CE-SD 2.73Å; M186-M188 PolarHBondContact O-N 2.88Å; M186-M188 HydrophobicContact SD-SD 3.8Å; M188-K193 HydrophobicContact CE-CB 3.53Å; M188-K193 HydrophobicContact CE-CD 4.48Å; M188-K193 HydrophobicContact CE-CG 3.62Å; M188-L196 HydrophobicContact CE-CB 4.29Å; M188-L196 HydrophobicContact CE-CD1 3.92Å; M188-L196 HydrophobicContact SD-CD1 4.29Å
189	K	34.7	Very low	35	Very low	125 Å²	125	84.3 Å²	84.3	54%	0.543	43%	0.427	S	S	.	.			trans	-66.3	153.8	160.8	-61.8	-176.1	178.7	-174.2	0	107.7	K191 D192 K193	K189-K191 HydrophobicContact CB-CG 4.08Å; K189-K191 PolarHBondContact O-N 3.13Å; K189-D192 WeakPolarHBondContact CB-OD2 3.36Å; K189-D192 PolarHBondContact N-OD2 3.08Å; K189-D192 WeakPolarHBondContact O-CA 3.18Å; K189-D192 WeakPolarHBondContact O-CB 3.35Å; K189-D192 PolarHBondContact O-N 2.74Å; K189-K193 PolarHBondContact O-N 3.17Å
190	S	42.6	Very low	35.5	Very low	109 Å²	109	84.6 Å²	84.6	76%	0.762	42%	0.418	S	S	*	.	H	α-helix	trans	-49.3	-37.2	-174.5	-42.3	0	0	0	0	113.6	D192 K193 E194	S190-D192 PolarHBondContact O-N 3.47Å; S190-K193 WeakPolarHBondContact O-CB 3.3Å; S190-K193 PolarHBondContact O-N 2.95Å; S190-E194 PolarHBondContact O-N 3.15Å; S190-E194 VanDerWaalsContact O-N 3.16Å
191	K	42.6	Very low	35.9	Very low	127 Å²	127	80.4 Å²	80.4	55%	0.552	40%	0.4	S	S	*	.	H	α-helix	trans	-61.8	-34.2	173.7	64.8	-178.7	-172.5	173.8	0	114.7	K189 K193 E194 I195	K189-K191 HydrophobicContact CB-CG 4.08Å; K189-K191 PolarHBondContact O-N 3.13Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K191-E194 WeakPolarHBondContact O-CB 2.97Å; K191-E194 PolarHBondContact O-N 3.49Å; K191-I195 VanDerWaalsContact O-CG1 3.24Å; K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 2.98Å
192	D	40.3	Very low	36.3	Very low	26 Å²	26	84.8 Å²	84.8	14%	0.139	42%	0.417	C	S	.	.	H	α-helix	trans	-78.2	-25.1	-179.4	-55.6	-45	0	0	0	110.4	K189 S190 L196	K189-D192 WeakPolarHBondContact CB-OD2 3.36Å; K189-D192 PolarHBondContact N-OD2 3.08Å; K189-D192 WeakPolarHBondContact O-CA 3.18Å; K189-D192 WeakPolarHBondContact O-CB 3.35Å; K189-D192 PolarHBondContact O-N 2.74Å; S190-D192 PolarHBondContact O-N 3.47Å; D192-L196 WeakPolarHBondContact O-CB 3.31Å; D192-L196 PolarHBondContact O-N 3.17Å
193	K	42.1	Very low	36.8	Very low	126 Å²	126	83.7 Å²	83.7	55%	0.548	42%	0.42	S	S	.	.	H	α-helix	trans	-67.5	-45.7	167.2	-165.3	175.5	-179.9	-175.4	0	111.8	M188 K189 S190 K191 I195 L196 D197	M188-K193 HydrophobicContact CE-CB 3.53Å; M188-K193 HydrophobicContact CE-CD 4.48Å; M188-K193 HydrophobicContact CE-CG 3.62Å; K189-K193 PolarHBondContact O-N 3.17Å; S190-K193 WeakPolarHBondContact O-CB 3.3Å; S190-K193 PolarHBondContact O-N 2.95Å; K191-K193 VanDerWaalsContact C-N 3.33Å; K193-I195 VanDerWaalsContact C-N 3.31Å; K193-I195 PolarHBondContact O-N 3.02Å; K193-L196 WeakPolarHBondContact O-CB 2.95Å; K193-L196 PolarHBondContact O-N 3.2Å; K193-L196 VanDerWaalsContact O-N 3.09Å; K193-D197 PolarHBondContact O-N 3.4Å
194	E	44.2	Very low	37.2	Very low	131 Å²	131	89.7 Å²	89.7	61%	0.612	46%	0.457	S	S	*	.	H	α-helix	trans	-60.6	-40	173.5	-133.5	175.9	-167.7	0	0	111.7	S190 K191 D197 N198	S190-E194 PolarHBondContact O-N 3.15Å; S190-E194 VanDerWaalsContact O-N 3.16Å; K191-E194 WeakPolarHBondContact O-CB 2.97Å; K191-E194 PolarHBondContact O-N 3.49Å; E194-D197 PolarHBondContact O-N 3.39Å; E194-N198 VanDerWaalsContact O-CB 3.24Å; E194-N198 WeakPolarHBondContact O-CB 3.06Å; E194-N198 PolarHBondContact O-N 3.42Å; E194-N198 PolarHBondContact O-ND2 2.68Å
195	I	40.1	Very low	37.6	Very low	27 Å²	27	93.3 Å²	93.3	14%	0.138	47%	0.473	C	S	.	.	H	α-helix	trans	-62.2	-44.4	171.7	-70.6	164.1	0	0	0	110.6	Q118 K191 K193 D197 N198 I199	Q118-I195 HydrophobicContact CG-CD1 4.33Å; Q118-I195 HydrophobicContact CG-CG1 4.34Å; Q118-I195 HydrophobicContact CG-CG2 4.3Å; K191-I195 VanDerWaalsContact O-CG1 3.24Å; K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 2.98Å; K193-I195 VanDerWaalsContact C-N 3.31Å; K193-I195 PolarHBondContact O-N 3.02Å; I195-D197 VanDerWaalsContact C-N 3.34Å; I195-D197 PolarHBondContact O-N 3.12Å; I195-N198 PolarHBondContact O-N 2.98Å; I195-I199 HydrophobicContact CG2-CD1 3.48Å; I195-I199 VanDerWaalsContact CG2-CD1 3.48Å; I195-I199 HydrophobicContact CG2-CG1 4.22Å; I195-I199 VanDerWaalsContact O-CD1 3.31Å; I195-I199 WeakPolarHBondContact O-CD1 3.23Å; I195-I199 WeakPolarHBondContact O-CG1 3.3Å; I195-I199 PolarHBondContact O-N 3.07Å
196	L	41	Very low	38	Very low	52 Å²	52	92.1 Å²	92.1	27%	0.272	47%	0.467	S	S	.	.	H	α-helix	trans	-64	-40.3	179.4	-148.9	142.4	0	0	0	111.8	I116 M186 M188 D192 K193 R200	I116-L196 HydrophobicContact CD1-CD1 3.86Å; M186-L196 HydrophobicContact CE-CD1 3.99Å; M188-L196 HydrophobicContact CE-CB 4.29Å; M188-L196 HydrophobicContact CE-CD1 3.92Å; M188-L196 HydrophobicContact SD-CD1 4.29Å; D192-L196 WeakPolarHBondContact O-CB 3.31Å; D192-L196 PolarHBondContact O-N 3.17Å; K193-L196 WeakPolarHBondContact O-CB 2.95Å; K193-L196 PolarHBondContact O-N 3.2Å; K193-L196 VanDerWaalsContact O-N 3.09Å; L196-R200 WeakPolarHBondContact O-CB 3.37Å; L196-R200 PolarHBondContact O-N 3.34Å
197	D	43.8	Very low	38.4	Very low	84 Å²	84	94.9 Å²	94.9	45%	0.449	49%	0.487	S	S	.	.	H	α-helix	trans	-68.5	-36.2	173.9	-71.6	-31	0	0	0	111.7	K193 E194 I195 R200	K193-D197 PolarHBondContact O-N 3.4Å; E194-D197 PolarHBondContact O-N 3.39Å; I195-D197 VanDerWaalsContact C-N 3.34Å; I195-D197 PolarHBondContact O-N 3.12Å; D197-R200 WeakPolarHBondContact O-CB 3.04Å; D197-R200 PolarHBondContact O-N 3.32Å
198	N	42	Very low	38.7	Very low	132 Å²	132	95.9 Å²	95.9	71%	0.706	49%	0.488	S	S	*	.	H	α-helix	trans	-71.9	-29.1	175.9	-75.7	-30	0	0	0	114	E194 I195 R200	E194-N198 VanDerWaalsContact O-CB 3.24Å; E194-N198 WeakPolarHBondContact O-CB 3.06Å; E194-N198 PolarHBondContact O-N 3.42Å; E194-N198 PolarHBondContact O-ND2 2.68Å; I195-N198 PolarHBondContact O-N 2.98Å; N198-R200 VanDerWaalsContact C-N 3.27Å
199	I	38	Very low	38.8	Very low	92 Å²	92	95.6 Å²	95.6	47%	0.472	49%	0.492	S	S	.	.	H	α-helix	trans	-82	-13.8	173.7	-52.7	154.5	0	0	0	110.5	I116 I195 K201	I116-I199 HydrophobicContact CG2-CD1 4.04Å; I195-I199 HydrophobicContact CG2-CD1 3.48Å; I195-I199 VanDerWaalsContact CG2-CD1 3.48Å; I195-I199 HydrophobicContact CG2-CG1 4.22Å; I195-I199 VanDerWaalsContact O-CD1 3.31Å; I195-I199 WeakPolarHBondContact O-CD1 3.23Å; I195-I199 WeakPolarHBondContact O-CG1 3.3Å; I195-I199 PolarHBondContact O-N 3.07Å; I199-K201 VanDerWaalsContact C-N 3.3Å; I199-K201 PolarHBondContact O-N 2.81Å
200	R	35.5	Very low	38.8	Very low	138 Å²	138	90.5 Å²	90.5	52%	0.521	47%	0.472	S	S	.	.			trans	-72.6	85	-179.5	-142.5	174.5	-178.6	179.9	-2.7	109.9	L196 D197 N198 E202 E254	L196-R200 WeakPolarHBondContact O-CB 3.37Å; L196-R200 PolarHBondContact O-N 3.34Å; D197-R200 WeakPolarHBondContact O-CB 3.04Å; D197-R200 PolarHBondContact O-N 3.32Å; N198-R200 VanDerWaalsContact C-N 3.27Å; R200-E202 PolarHBondContact O-N 2.93Å; R200-E254 IonicContact CZ-OE1 3.79Å; R200-E254 IonicContact NE-OE1 3.74Å; R200-E254 IonicContact NH2-OE1 2.93Å; R200-E254 PolarHBondContact NH2-OE1 3.15Å
201	K	36.4	Very low	38.5	Very low	102 Å²	102	86.6 Å²	86.6	44%	0.443	44%	0.443	S	S	.	.			trans	-60	133.6	-178.3	-68.8	-158.8	170.4	-162.8	0	112.1	I199 E205 T207	I199-K201 VanDerWaalsContact C-N 3.3Å; I199-K201 PolarHBondContact O-N 2.81Å; K201-E205 WeakPolarHBondContact CA-OE2 3.38Å; K201-E205 HydrophobicContact CB-CB 4.05Å; K201-E205 HydrophobicContact CD-CB 4.14Å; K201-E205 VanDerWaalsContact CD-O 3.28Å; K201-E205 WeakPolarHBondContact CD-O 3.1Å; K201-E205 HydrophobicContact CG-CB 4.35Å; K201-E205 PolarHBondContact NZ-O 2.02Å; K201-E205 VanDerWaalsContact NZ-O 3.14Å; K201-T207 PolarHBondContact NZ-OG1 3.42Å
202	E	37.9	Very low	38.2	Very low	137 Å²	137	81.2 Å²	81.2	64%	0.64	42%	0.42	S	S	*	.			trans	-66.3	159.1	167.4	-65.7	-155.8	164.6	0	0	110.5	R200 T204 E205	R200-E202 PolarHBondContact O-N 2.93Å; E202-T204 PolarHBondContact O-N 2.98Å; E202-E205 HydrophobicContact CB-CG 4.34Å; E202-E205 PolarHBondContact N-OE2 3.38Å; E202-E205 VanDerWaalsContact N-OE2 3.09Å; E202-E205 PolarHBondContact O-N 2.81Å
203	A	35.7	Very low	38	Very low	56 Å²	56	81.3 Å²	81.3	46%	0.463	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.9	-174.2	0	0	0	0	0	113.4
204	T	39.4	Very low	37.7	Very low	126 Å²	126	78.9 Å²	78.9	77%	0.773	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-17.4	177.3	46.1	0	0	0	0	113.9	E202	E202-T204 PolarHBondContact O-N 2.98Å
205	E	37.5	Very low	37.2	Very low	99 Å²	99	77 Å²	77	46%	0.463	41%	0.405	S	S	.	.			trans	-101.4	-0.2	-171.5	-59.5	-178.4	146.7	0	0	113.7	K201 E202 T207	K201-E205 WeakPolarHBondContact CA-OE2 3.38Å; K201-E205 HydrophobicContact CB-CB 4.05Å; K201-E205 HydrophobicContact CD-CB 4.14Å; K201-E205 VanDerWaalsContact CD-O 3.28Å; K201-E205 WeakPolarHBondContact CD-O 3.1Å; K201-E205 HydrophobicContact CG-CB 4.35Å; K201-E205 PolarHBondContact NZ-O 2.02Å; K201-E205 VanDerWaalsContact NZ-O 3.14Å; E202-E205 HydrophobicContact CB-CG 4.34Å; E202-E205 PolarHBondContact N-OE2 3.38Å; E202-E205 VanDerWaalsContact N-OE2 3.09Å; E202-E205 PolarHBondContact O-N 2.81Å; E205-T207 VanDerWaalsContact C-N 3.28Å; E205-T207 PolarHBondContact O-N 3.11Å
206	C	34.8	Very low	37.3	Very low	28 Å²	28	77.2 Å²	77.2	19%	0.189	41%	0.407	C	S	.	.			trans	-68	80.1	177.5	-75.4	0	0	0	0	111.6
207	T	38.4	Very low	37.1	Very low	118 Å²	118	77.2 Å²	77.2	72%	0.724	41%	0.407	S	S	*	.			trans	-86.4	-5.1	178	52.2	0	0	0	0	114.2	K201 E205	K201-T207 PolarHBondContact NZ-OG1 3.42Å; E205-T207 VanDerWaalsContact C-N 3.28Å; E205-T207 PolarHBondContact O-N 3.11Å
208	H	34.5	Very low	37.1	Very low	110 Å²	110	77.2 Å²	77.2	51%	0.509	40%	0.403	S	S	.	.	S	Bend	trans	-72.2	137.1	177	-164.6	-91.6	0	0	0	110	S210 T211	H208-S210 PolarHBondContact ND1-OG 3.43Å; H208-S210 PolarHBondContact O-N 3.33Å; H208-T211 PolarHBondContact O-N 3.27Å
209	P	32.6	Very low	37.3	Very low	62 Å²	62	71.2 Å²	71.2	40%	0.403	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-17.6	-174.4	19.4	-31.1	0	0	0	114.8	T211 L263	P209-T211 VanDerWaalsContact C-N 3.27Å; P209-T211 PolarHBondContact O-N 2.74Å; P209-L263 WeakPolarHBondContact O-CD1 3.36Å
210	S	35.5	Very low	38	Very low	18 Å²	18	67.4 Å²	67.4	13%	0.126	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.9	172.1	60.5	0	0	0	0	113.8	H208 H212	H208-S210 PolarHBondContact ND1-OG 3.43Å; H208-S210 PolarHBondContact O-N 3.33Å; S210-H212 VanDerWaalsContact C-N 3.26Å; S210-H212 PolarHBondContact O-CD2 3.36Å; S210-H212 PolarHBondContact O-N 2.73Å
211	T	36.1	Very low	38.9	Very low	27 Å²	27	61 Å²	61	17%	0.166	33%	0.329	C	S	.	.			trans	54.2	31.9	175.8	63.7	0	0	0	0	115.5	H208 P209 C257 A259	H208-T211 PolarHBondContact O-N 3.27Å; P209-T211 VanDerWaalsContact C-N 3.27Å; P209-T211 PolarHBondContact O-N 2.74Å; T211-C257 WeakPolarHBondContact O-CB 3.26Å; T211-A259 HydrophobicContact CG2-CB 3.75Å
212	H	37.2	Very low	39.7	Very low	15 Å²	15	57.8 Å²	57.8	7%	0.069	32%	0.317	C	S	.	.			trans	-138.4	149	175	-65.4	-60.8	0	0	0	111.9	S210 K255 N256 I260 Y307	S210-H212 VanDerWaalsContact C-N 3.26Å; S210-H212 PolarHBondContact O-CD2 3.36Å; S210-H212 PolarHBondContact O-N 2.73Å; H212-K255 PolarHBondContact ND1-O 2.98Å; H212-N256 PolarHBondContact CE1-OD1 2.84Å; H212-I260 VanDerWaalsContact CE1-CD1 3.42Å; H212-I260 WeakPolarHBondContact CE1-CD1 2.99Å; H212-I260 WeakPolarHBondContact CE1-CG1 3.45Å; H212-I260 VanDerWaalsContact NE2-CD1 3.29Å; H212-I260 WeakPolarHBondContact NE2-CD1 3.45Å; H212-I260 WeakPolarHBondContact NE2-CG1 3.32Å; H212-Y307 AromaticContact CD2-CE2 3.84Å; H212-Y307 AromaticContact CD2-CZ 3.86Å; H212-Y307 PolarHBondContact CD2-OH 3.32Å; H212-Y307 AromaticContact NE2-CZ 3.83Å; H212-Y307 PolarHBondContact NE2-OH 3.09Å
213	S	35.4	Very low	40.1	Very low	28 Å²	28	55.2 Å²	55.2	20%	0.196	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-84.5	125.6	152	68.8	0	0	0	0	108.6	E254	S213-E254 PolarHBondContact O-N 3.46Å; S213-E254 PolarHBondContact OG-OE2 2.81Å
214	L	35.1	Very low	40.7	Very low	75 Å²	75	53.8 Å²	53.8	39%	0.393	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.6	168.4	-66.5	171.8	0	0	0	107	F251 S290	L214-F251 HydrophobicContact CB-CB 4.45Å; L214-F251 HydrophobicContact CB-CD1 4.02Å; L214-F251 HydrophobicContact CD1-CD1 4.49Å; L214-F251 HydrophobicContact CD2-CB 4.35Å; L214-S290 VanDerWaalsContact CD1-OG 3.32Å; L214-S290 WeakPolarHBondContact CD1-OG 3.42Å
215	K	34.5	Very low	41.2	Very low	92 Å²	92	48.1 Å²	48.1	40%	0.4	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.3	163.8	-179	175.1	179.2	-170.8	0	106	D217 F251 S252 E254	K215-D217 PolarHBondContact O-N 3.48Å; K215-F251 CarbonylContact O-C 3.57Å; K215-F251 WeakPolarHBondContact O-CA 3.05Å; K215-S252 PolarHBondContact N-O 3.18Å; K215-S252 PolarHBondContact O-N 3.2Å; K215-S252 VanDerWaalsContact O-O 3.06Å; K215-E254 HydrophobicContact CB-CB 3.71Å; K215-E254 HydrophobicContact CB-CG 3.83Å; K215-E254 HydrophobicContact CD-CG 4.1Å
216	L	41.4	Very low	41.6	Very low	31 Å²	31	44.3 Å²	44.3	16%	0.162	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	109.2	167.6	-174.4	78	0	0	0	106.2	F114 F121 F218 F249 F251	F114-L216 HydrophobicContact CD1-CD2 4.37Å; F114-L216 HydrophobicContact CE1-CD2 4.26Å; F121-L216 HydrophobicContact CZ-CD2 4.42Å; L216-F218 PolarHBondContact O-N 3.38Å; L216-F249 HydrophobicContact CD1-CB 3.82Å; L216-F249 HydrophobicContact CD1-CG 4.17Å; L216-F251 HydrophobicContact CB-CD1 4.25Å; L216-F251 HydrophobicContact CB-CE1 4.15Å; L216-F251 HydrophobicContact CD1-CD1 3.79Å; L216-F251 HydrophobicContact CD1-CE1 3.19Å; L216-F251 HydrophobicContact CD1-CE2 4.36Å; L216-F251 HydrophobicContact CD1-CZ 3.52Å; L216-F251 HydrophobicContact CG-CE1 4.27Å
217	D	38	Very low	42.1	Very low	52 Å²	52	44.5 Å²	44.5	28%	0.278	24%	0.24	S	C	.	.			trans	-77	110.6	167.4	-100.5	3.2	0	0	0	105.5	K215 Y219 M250 S252	K215-D217 PolarHBondContact O-N 3.48Å; D217-Y219 PolarHBondContact O-N 2.88Å; D217-M250 CarbonylContact C-O 3.47Å; D217-M250 WeakPolarHBondContact CA-O 3.09Å; D217-M250 HydrophobicContact CB-CE 4.17Å; D217-M250 WeakPolarHBondContact CB-O 2.98Å; D217-M250 PolarHBondContact N-O 3.1Å; D217-S252 WeakPolarHBondContact OD1-CB 3.2Å; D217-S252 PolarHBondContact OD1-OG 2.93Å; D217-S252 WeakPolarHBondContact OD2-CB 3.35Å; D217-S252 PolarHBondContact OD2-OG 2.84Å
218	F	43	Very low	42.6	Very low	84 Å²	84	40.5 Å²	40.5	37%	0.368	22%	0.222	S	C	.	.			trans	-51.1	135.2	-173.6	-72	-80.6	0	0	0	111	L182 I184 M186 L216	L182-F218 HydrophobicContact CD2-CB 3.19Å; L182-F218 HydrophobicContact CD2-CG 4.45Å; L182-F218 WeakPolarHBondContact CD2-O 3.16Å; I184-F218 HydrophobicContact CB-CD1 4.47Å; I184-F218 HydrophobicContact CD1-CB 3.84Å; I184-F218 HydrophobicContact CD1-CD1 3.55Å; I184-F218 HydrophobicContact CD1-CG 4.18Å; I184-F218 HydrophobicContact CG2-CD1 4.31Å; M186-F218 HydrophobicContact CE-CE1 3.81Å; M186-F218 HydrophobicContact CE-CZ 3.96Å; M186-F218 HydrophobicContact CG-CE1 4.06Å; M186-F218 HydrophobicContact SD-CD1 4.28Å; M186-F218 HydrophobicContact SD-CE1 3.24Å; M186-F218 WeakPolarHBondContact SD-CE1 3.42Å; M186-F218 HydrophobicContact SD-CZ 3.47Å; M186-F218 WeakPolarHBondContact SD-CZ 3.42Å; L216-F218 PolarHBondContact O-N 3.38Å
219	Y	47	Very low	43.4	Very low	5 Å²	5	36.1 Å²	36.1	2%	0.02	20%	0.203	C	C	.	.			trans	-48.7	129.8	178.6	178	-75.4	0	0	0	112.2	Y110 W112 L182 C183 I184 D217 I225 P232 C233 F249	Y110-Y219 HydrophobicContact CE2-CE1 4.05Å; Y110-Y219 AromaticContact CE2-CZ 3.92Å; Y110-Y219 WeakPolarHBondContact CE2-OH 3.25Å; Y110-Y219 PolarHBondContact OH-OH 2.82Å; W112-Y219 AromaticContact CD1-CE1 3.77Å; W112-Y219 AromaticContact CD1-CE2 3.53Å; W112-Y219 AromaticContact CD1-CZ 3.37Å; W112-Y219 HydrophobicContact CG-CE2 4.42Å; W112-Y219 AromaticContact NE1-CE2 3.53Å; W112-Y219 AromaticContact NE1-CZ 3.39Å; W112-Y219 PolarHBondContact NE1-OH 3.44Å; W112-Y219 VanDerWaalsContact NE1-OH 3.16Å; L182-Y219 WeakPolarHBondContact CA-O 3.45Å; C183-Y219 HydrophobicContact CB-CD1 4.05Å; C183-Y219 HydrophobicContact CB-CE1 4.11Å; C183-Y219 PolarHBondContact N-O 2.86Å; I184-Y219 VanDerWaalsContact CD1-N 3.29Å; D217-Y219 PolarHBondContact O-N 2.88Å; Y219-I225 HydrophobicContact CD2-CD1 3.63Å; Y219-I225 HydrophobicContact CE1-CD1 4.07Å; Y219-I225 HydrophobicContact CE2-CD1 2.85Å; Y219-I225 HydrophobicContact CE2-CG1 4.33Å; Y219-I225 WeakPolarHBondContact OH-CD1 3.41Å; Y219-P232 WeakPolarHBondContact OH-CG 3.33Å; Y219-C233 WeakPolarHBondContact CE2-SG 3.18Å; Y219-F249 HydrophobicContact CD2-CD1 4.39Å; Y219-F249 HydrophobicContact CD2-CE1 4.29Å
220	S	51.9	Low	44.6	Very low	13 Å²	13	36.2 Å²	36.2	9%	0.091	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-109	157.6	169.9	93.9	0	0	0	0	111.2	T181 T222 N223	T181-S220 CarbonylContact O-C 3.49Å; T181-S220 WeakPolarHBondContact O-CA 3.28Å; T181-S220 WeakPolarHBondContact O-CB 3.06Å; S220-T222 PolarHBondContact O-N 3.47Å; S220-T222 VanDerWaalsContact O-N 3.13Å; S220-T222 PolarHBondContact OG-N 3.35Å; S220-T222 VanDerWaalsContact OG-N 3.17Å; S220-T222 PolarHBondContact OG-OG1 3.16Å; S220-N223 PolarHBondContact OG-N 3.33Å; S220-N223 PolarHBondContact OG-O 2.81Å
221	C	55.2	Low	45.7	Very low	4 Å²	4	38.5 Å²	38.5	3%	0.027	21%	0.213	C	C	.	.	S	Bend	trans	-62.2	-16.5	174.2	-25.6	0	0	0	0	113.4	N86 C91 T181 C183	N86-C221 HydrophobicContact CB-CB 4.31Å; N86-C221 WeakPolarHBondContact CB-SG 3.28Å; N86-C221 WeakPolarHBondContact ND2-CB 3.41Å; N86-C221 PolarHBondContact ND2-SG 3.5Å; C91-C221 HydrophobicContact CB-CB 4.26Å; C91-C221 WeakPolarHBondContact SG-CA 3.27Å; C91-C221 WeakPolarHBondContact SG-CB 3.49Å; C91-C221 PolarHBondContact SG-SG 2.84Å; T181-C221 PolarHBondContact O-N 2.87Å; T181-C221 PolarHBondContact O-SG 3.19Å; C183-C221 PolarHBondContact SG-SG 2.81Å
222	T	51.8	Low	46.4	Very low	33 Å²	33	37.2 Å²	37.2	20%	0.202	21%	0.205	C	C	.	.	S	Bend	trans	-120.3	-12.2	-162.9	48.2	0	0	0	0	112.9	D179 S220 Y227	D179-T222 PolarHBondContact O-OG1 3.28Å; S220-T222 PolarHBondContact O-N 3.47Å; S220-T222 VanDerWaalsContact O-N 3.13Å; S220-T222 PolarHBondContact OG-N 3.35Å; S220-T222 VanDerWaalsContact OG-N 3.17Å; S220-T222 PolarHBondContact OG-OG1 3.16Å; T222-Y227 HydrophobicContact CG2-CE1 4.07Å
223	N	47.8	Very low	47	Very low	84 Å²	84	36.7 Å²	36.7	45%	0.449	20%	0.204	S	C	.	.	S	Bend	trans	-156.9	119.4	-174.9	-156.2	-8.3	0	0	0	110.8	S220	S220-N223 PolarHBondContact OG-N 3.33Å; S220-N223 PolarHBondContact OG-O 2.81Å
224	P	47.9	Very low	47.7	Very low	26 Å²	26	40.6 Å²	40.6	17%	0.169	22%	0.217	C	C	.	.	S	Bend	cis	-97.3	30.1	7.1	34.6	-27.5	0	0	0	114.3	P248 L287	P224-P248 WeakPolarHBondContact CG-O 3.03Å; P224-L287 HydrophobicContact CB-CD2 3.57Å; P224-L287 HydrophobicContact CG-CD2 4.15Å
225	I	49.9	Very low	48.4	Very low	6 Å²	6	40.8 Å²	40.8	3%	0.031	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-99	123	-164.6	-73.6	162.1	0	0	0	111.1	Y219 P232	Y219-I225 HydrophobicContact CD2-CD1 3.63Å; Y219-I225 HydrophobicContact CE1-CD1 4.07Å; Y219-I225 HydrophobicContact CE2-CD1 2.85Å; Y219-I225 HydrophobicContact CE2-CG1 4.33Å; Y219-I225 WeakPolarHBondContact OH-CD1 3.41Å; I225-P232 HydrophobicContact CB-CB 4.08Å; I225-P232 HydrophobicContact CD1-CB 3.66Å; I225-P232 HydrophobicContact CD1-CG 4Å; I225-P232 HydrophobicContact CG1-CB 3.76Å; I225-P232 HydrophobicContact CG2-CB 3.22Å; I225-P232 HydrophobicContact CG2-CG 3.85Å
226	P	44.8	Very low	48.9	Very low	20 Å²	20	38.1 Å²	38.1	13%	0.13	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-61.7	143.1	177.1	-16.1	27.6	0	0	0	110.3	G172 V229 Y247	G172-P226 VanDerWaalsContact CA-CB 3.49Å; P226-V229 HydrophobicContact CB-CG2 3.88Å; P226-V229 HydrophobicContact CG-CG2 4.16Å; P226-V229 WeakPolarHBondContact O-CG2 3.22Å; P226-Y247 HydrophobicContact CG-CD1 4.02Å; P226-Y247 HydrophobicContact CG-CE1 3.71Å
227	Y	46.2	Very low	48.9	Very low	31 Å²	31	45.6 Å²	45.6	12%	0.122	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-60.3	141.5	175.9	-63.3	-68.4	0	0	0	111	N83 G172 W173 L175 T222	N83-Y227 WeakPolarHBondContact ND2-CD1 3.46Å; N83-Y227 WeakPolarHBondContact ND2-CE1 3.43Å; G172-Y227 WeakPolarHBondContact CA-O 3.12Å; W173-Y227 PolarHBondContact N-O 3.32Å; W173-Y227 WeakPolarHBondContact O-CB 3.38Å; W173-Y227 WeakPolarHBondContact O-CD2 3.31Å; W173-Y227 PolarHBondContact O-N 3Å; L175-Y227 HydrophobicContact CB-CD2 4.09Å; L175-Y227 HydrophobicContact CB-CE2 3.42Å; L175-Y227 VanDerWaalsContact CB-CE2 3.42Å; T222-Y227 HydrophobicContact CG2-CE1 4.07Å
228	G	48.2	Very low	48.9	Very low	34 Å²	34	45.7 Å²	45.7	35%	0.351	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	9.5	176.4	0	0	0	0	0	115.3
229	V	53.1	Low	48.6	Very low	18 Å²	18	45.9 Å²	45.9	11%	0.109	24%	0.242	C	C	.	.			trans	-85.2	119.4	175.9	-179	0	0	0	0	110.8	P226 P232 Y247	P226-V229 HydrophobicContact CB-CG2 3.88Å; P226-V229 HydrophobicContact CG-CG2 4.16Å; P226-V229 WeakPolarHBondContact O-CG2 3.22Å; V229-P232 HydrophobicContact CB-CB 4.21Å; V229-P232 HydrophobicContact CG1-CB 3.85Å; V229-Y247 HydrophobicContact CG1-CE2 3.9Å
230	D	57.2	Low	48	Very low	64 Å²	64	54.9 Å²	54.9	34%	0.342	28%	0.281	S	S	.	.	S	Bend	trans	-68.3	-37.5	-177.7	-155.2	-6.7	0	0	0	112.6	Y93 Y125	Y93-D230 HydrophobicContact CE2-CB 4.29Å; Y93-D230 PolarHBondContact OH-OD1 3.23Å; Y125-D230 PolarHBondContact OH-O 3.43Å
231	T	57.4	Low	46.9	Very low	66 Å²	66	58.1 Å²	58.1	41%	0.405	32%	0.316	S	S	.	.			trans	-131.5	76.8	-179.4	41.3	0	0	0	0	112.6	C233	T231-C233 PolarHBondContact O-N 3.08Å
232	P	50.9	Low	45.8	Very low	0 Å²	0	60 Å²	60	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-84.3	-3.3	-169	35.9	-41.5	0	0	0	114.8	Y110 W112 Y219 I225 V229 Y247	Y110-P232 HydrophobicContact CE2-CG 4.15Å; W112-P232 HydrophobicContact CZ2-CG 4.41Å; Y219-P232 WeakPolarHBondContact OH-CG 3.33Å; I225-P232 HydrophobicContact CB-CB 4.08Å; I225-P232 HydrophobicContact CD1-CB 3.66Å; I225-P232 HydrophobicContact CD1-CG 4Å; I225-P232 HydrophobicContact CG1-CB 3.76Å; I225-P232 HydrophobicContact CG2-CB 3.22Å; I225-P232 HydrophobicContact CG2-CG 3.85Å; V229-P232 HydrophobicContact CB-CB 4.21Å; V229-P232 HydrophobicContact CG1-CB 3.85Å; P232-Y247 HydrophobicContact CB-CD2 4.34Å; P232-Y247 WeakPolarHBondContact O-CB 3.23Å; P232-Y247 WeakPolarHBondContact O-CD2 3.24Å
233	C	49.5	Very low	45.2	Very low	5 Å²	5	66.4 Å²	66.4	3%	0.034	35%	0.346	C	S	.	.	S	Bend	trans	-118.5	66	163.2	-70.8	0	0	0	0	108.5	W112 Y219 T231 E235 W245 F249	W112-C233 HydrophobicContact CD2-CB 4.17Å; W112-C233 HydrophobicContact CE3-CB 4.22Å; W112-C233 HydrophobicContact CH2-CB 3.44Å; W112-C233 VanDerWaalsContact CH2-CB 3.44Å; W112-C233 WeakPolarHBondContact CH2-O 3.25Å; W112-C233 HydrophobicContact CZ2-CB 3.42Å; W112-C233 VanDerWaalsContact CZ2-CB 3.42Å; W112-C233 VanDerWaalsContact CZ2-N 3.3Å; W112-C233 HydrophobicContact CZ3-CB 3.83Å; Y219-C233 WeakPolarHBondContact CE2-SG 3.18Å; T231-C233 PolarHBondContact O-N 3.08Å; C233-E235 PolarHBondContact O-N 3.31Å; C233-W245 HydrophobicContact CB-CE3 3.67Å; C233-W245 HydrophobicContact CB-CZ3 3.9Å; C233-W245 WeakPolarHBondContact O-CZ3 3.4Å; C233-F249 HydrophobicContact CB-CZ 4.28Å; C233-F249 WeakPolarHBondContact SG-CE1 3.17Å
234	K	50.7	Low	45	Very low	109 Å²	109	66 Å²	66	47%	0.474	34%	0.339	S	S	.	.			trans	-76.1	113.8	171.9	-166.3	-177.2	-173.1	176.8	0	109	V236 W245 E246	K234-V236 HydrophobicContact CD-CG2 4.35Å; K234-V236 HydrophobicContact CG-CG2 4.26Å; K234-V236 PolarHBondContact O-N 3.05Å; K234-W245 WeakPolarHBondContact O-CA 3.16Å; K234-E246 HydrophobicContact CB-CB 4.04Å; K234-E246 WeakPolarHBondContact CB-OE2 3.23Å; K234-E246 WeakPolarHBondContact CD-OE2 3.38Å; K234-E246 PolarHBondContact O-N 2.88Å
235	E	51	Low	44.9	Very low	80 Å²	80	67.4 Å²	67.4	37%	0.374	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.3	168.9	-165.7	-168.1	146.5	0	0	108.3	C233 R243 W245	C233-E235 PolarHBondContact O-N 3.31Å; E235-R243 HydrophobicContact CG-CB 4.17Å; E235-R243 HydrophobicContact CG-CG 4.45Å; E235-R243 WeakPolarHBondContact OE1-CD 3.2Å; E235-R243 WeakPolarHBondContact OE1-CG 3.44Å; E235-R243 IonicContact OE1-CZ 3.25Å; E235-R243 VanDerWaalsContact OE1-CZ 3.25Å; E235-R243 IonicContact OE1-NE 3.23Å; E235-R243 PolarHBondContact OE1-NE 3.04Å; E235-R243 IonicContact OE1-NH1 2.69Å; E235-R243 PolarHBondContact OE1-NH1 2.95Å; E235-R243 IonicContact OE2-NH1 3.26Å; E235-R243 PolarHBondContact OE2-NH1 2.97Å; E235-W245 HydrophobicContact CB-CE3 4.12Å; E235-W245 HydrophobicContact CB-CH2 4.04Å; E235-W245 HydrophobicContact CB-CZ2 4.48Å; E235-W245 HydrophobicContact CB-CZ3 3.86Å; E235-W245 HydrophobicContact CG-CH2 4.39Å; E235-W245 HydrophobicContact CG-CZ2 4.37Å
236	V	44.2	Very low	44.9	Very low	36 Å²	36	70.2 Å²	70.2	22%	0.218	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.7	177.7	-176.1	0	0	0	0	108.2	K234 L238 Y244 E246	K234-V236 HydrophobicContact CD-CG2 4.35Å; K234-V236 HydrophobicContact CG-CG2 4.26Å; K234-V236 PolarHBondContact O-N 3.05Å; V236-L238 PolarHBondContact O-N 3.28Å; V236-Y244 HydrophobicContact CB-CD1 3.65Å; V236-Y244 HydrophobicContact CB-CE1 3.19Å; V236-Y244 HydrophobicContact CB-CE2 4.36Å; V236-Y244 HydrophobicContact CB-CG 4.48Å; V236-Y244 HydrophobicContact CG1-CD1 4.07Å; V236-Y244 HydrophobicContact CG1-CE1 3.26Å; V236-Y244 HydrophobicContact CG2-CE1 4.04Å; V236-Y244 HydrophobicContact CG2-CE2 4.46Å; V236-Y244 PolarHBondContact N-O 3.01Å; V236-Y244 WeakPolarHBondContact O-CD1 3.49Å; V236-Y244 PolarHBondContact O-N 3.38Å; V236-E246 HydrophobicContact CG2-CB 4.2Å
237	R	41.8	Very low	45.1	Very low	187 Å²	187	71 Å²	71	71%	0.706	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	113	-179.1	-165.1	176.6	-175.6	172	2.3	108.8
238	L	37.8	Very low	45.2	Very low	54 Å²	54	70.4 Å²	70.4	28%	0.283	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-55.6	178.8	-68.8	164.7	0	0	0	110.6	V236 L242 Y244 A293 L302	V236-L238 PolarHBondContact O-N 3.28Å; L238-L242 HydrophobicContact CD1-CD2 4.01Å; L238-L242 PolarHBondContact N-O 3.15Å; L238-Y244 HydrophobicContact CD1-CD1 3.49Å; L238-Y244 VanDerWaalsContact CD1-CD1 3.49Å; L238-Y244 HydrophobicContact CD1-CE1 4.29Å; L238-Y244 HydrophobicContact CD1-CG 4.06Å; L238-Y244 HydrophobicContact CD2-CD1 3.54Å; L238-Y244 HydrophobicContact CD2-CE1 3.44Å; L238-Y244 VanDerWaalsContact CD2-CE1 3.44Å; L238-Y244 HydrophobicContact CG-CD1 3.41Å; L238-Y244 VanDerWaalsContact CG-CD1 3.41Å; L238-Y244 HydrophobicContact CG-CE1 3.86Å; L238-Y244 HydrophobicContact CG-CG 4.43Å; L238-A293 HydrophobicContact CD1-CB 4.09Å; L238-L302 HydrophobicContact CB-CD1 4.25Å; L238-L302 HydrophobicContact CD1-CD1 3.73Å; L238-L302 HydrophobicContact CD2-CD1 3.49Å; L238-L302 VanDerWaalsContact CD2-CD1 3.49Å; L238-L302 HydrophobicContact CG-CD1 3.98Å
239	V	36.6	Very low	45.1	Very low	89 Å²	89	69.3 Å²	69.3	54%	0.539	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	171.9	179	-75.3	0	0	0	0	109.4	G241 L242	V239-G241 PolarHBondContact O-N 2.04Å; V239-G241 VanDerWaalsContact O-N 3.09Å; V239-L242 HydrophobicContact CG2-CB 3.65Å; V239-L242 PolarHBondContact O-N 3.09Å; V239-L242 VanDerWaalsContact O-N 3.15Å
240	K	33.6	Very low	44.5	Very low	194 Å²	194	71.8 Å²	71.8	84%	0.843	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	118.1	174.4	-99.9	-176.2	175.5	178.6	0	109.7
241	G	30	Very low	43.8	Very low	81 Å²	81	71 Å²	71	84%	0.835	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-19.9	178	0	0	0	0	0	114.9	V239	V239-G241 PolarHBondContact O-N 2.04Å; V239-G241 VanDerWaalsContact O-N 3.09Å
242	L	32.1	Very low	42.9	Very low	43 Å²	43	69.2 Å²	69.2	23%	0.225	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.2	-178.4	-129.6	111.5	0	0	0	111	L238 V239 A293	L238-L242 HydrophobicContact CD1-CD2 4.01Å; L238-L242 PolarHBondContact N-O 3.15Å; V239-L242 HydrophobicContact CG2-CB 3.65Å; V239-L242 PolarHBondContact O-N 3.09Å; V239-L242 VanDerWaalsContact O-N 3.15Å; L242-A293 HydrophobicContact CD2-CB 4Å
243	R	38.7	Very low	42.4	Very low	168 Å²	168	73.4 Å²	73.4	63%	0.634	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.1	179.4	-62.6	160	177.8	-132.6	14.8	107.3	E235	E235-R243 HydrophobicContact CG-CB 4.17Å; E235-R243 HydrophobicContact CG-CG 4.45Å; E235-R243 WeakPolarHBondContact OE1-CD 3.2Å; E235-R243 WeakPolarHBondContact OE1-CG 3.44Å; E235-R243 IonicContact OE1-CZ 3.25Å; E235-R243 VanDerWaalsContact OE1-CZ 3.25Å; E235-R243 IonicContact OE1-NE 3.23Å; E235-R243 PolarHBondContact OE1-NE 3.04Å; E235-R243 IonicContact OE1-NH1 2.69Å; E235-R243 PolarHBondContact OE1-NH1 2.95Å; E235-R243 IonicContact OE2-NH1 3.26Å; E235-R243 PolarHBondContact OE2-NH1 2.97Å
244	Y	43.7	Very low	41.8	Very low	75 Å²	75	76.5 Å²	76.5	29%	0.294	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	160.8	165.3	86.4	-77.2	0	0	0	109.9	V236 L238 E246	V236-Y244 HydrophobicContact CB-CD1 3.65Å; V236-Y244 HydrophobicContact CB-CE1 3.19Å; V236-Y244 HydrophobicContact CB-CE2 4.36Å; V236-Y244 HydrophobicContact CB-CG 4.48Å; V236-Y244 HydrophobicContact CG1-CD1 4.07Å; V236-Y244 HydrophobicContact CG1-CE1 3.26Å; V236-Y244 HydrophobicContact CG2-CE1 4.04Å; V236-Y244 HydrophobicContact CG2-CE2 4.46Å; V236-Y244 PolarHBondContact N-O 3.01Å; V236-Y244 WeakPolarHBondContact O-CD1 3.49Å; V236-Y244 PolarHBondContact O-N 3.38Å; L238-Y244 HydrophobicContact CD1-CD1 3.49Å; L238-Y244 VanDerWaalsContact CD1-CD1 3.49Å; L238-Y244 HydrophobicContact CD1-CE1 4.29Å; L238-Y244 HydrophobicContact CD1-CG 4.06Å; L238-Y244 HydrophobicContact CD2-CD1 3.54Å; L238-Y244 HydrophobicContact CD2-CE1 3.44Å; L238-Y244 VanDerWaalsContact CD2-CE1 3.44Å; L238-Y244 HydrophobicContact CG-CD1 3.41Å; L238-Y244 VanDerWaalsContact CG-CD1 3.41Å; L238-Y244 HydrophobicContact CG-CE1 3.86Å; L238-Y244 HydrophobicContact CG-CG 4.43Å; Y244-E246 HydrophobicContact CE2-CB 4.5Å
245	W	45.7	Very low	41.2	Very low	55 Å²	55	77.7 Å²	77.7	21%	0.208	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.8	173.1	-62.6	89	0	0	0	107.3	V123 C233 K234 E235 Y247 F249	V123-W245 HydrophobicContact CB-CH2 3.8Å; V123-W245 HydrophobicContact CB-CZ2 4.25Å; V123-W245 HydrophobicContact CG1-CH2 4.37Å; V123-W245 HydrophobicContact CG2-CH2 4.3Å; V123-W245 HydrophobicContact CG2-CZ2 4.26Å; C233-W245 HydrophobicContact CB-CE3 3.67Å; C233-W245 HydrophobicContact CB-CZ3 3.9Å; C233-W245 WeakPolarHBondContact O-CZ3 3.4Å; K234-W245 WeakPolarHBondContact O-CA 3.16Å; E235-W245 HydrophobicContact CB-CE3 4.12Å; E235-W245 HydrophobicContact CB-CH2 4.04Å; E235-W245 HydrophobicContact CB-CZ2 4.48Å; E235-W245 HydrophobicContact CB-CZ3 3.86Å; E235-W245 HydrophobicContact CG-CH2 4.39Å; E235-W245 HydrophobicContact CG-CZ2 4.37Å; W245-Y247 PolarHBondContact O-N 3.44Å; W245-F249 AromaticContact CD1-CE2 3.8Å; W245-F249 AromaticContact CD2-CE2 3.7Å; W245-F249 HydrophobicContact CD2-CE2 3.7Å; W245-F249 HydrophobicContact CD2-CZ 4.11Å; W245-F249 AromaticContact CE2-CE2 3.7Å; W245-F249 HydrophobicContact CE3-CE2 4.32Å; W245-F249 HydrophobicContact CE3-CZ 4.27Å; W245-F249 HydrophobicContact CG-CD2 4.39Å; W245-F249 AromaticContact CG-CE2 3.79Å; W245-F249 HydrophobicContact CG-CE2 3.79Å; W245-F249 HydrophobicContact CZ2-CE2 4.31Å; W245-F249 AromaticContact NE1-CE2 3.75Å
246	E	49.6	Very low	40.8	Very low	66 Å²	66	78.9 Å²	78.9	31%	0.308	38%	0.382	S	S	.	.	S	Bend	trans	-54.1	-35.4	-177	-170.4	170.5	-161.4	0	0	112.4	K234 V236 Y244	K234-E246 HydrophobicContact CB-CB 4.04Å; K234-E246 WeakPolarHBondContact CB-OE2 3.23Å; K234-E246 WeakPolarHBondContact CD-OE2 3.38Å; K234-E246 PolarHBondContact O-N 2.88Å; V236-E246 HydrophobicContact CG2-CB 4.2Å; Y244-E246 HydrophobicContact CE2-CB 4.5Å
247	Y	50	Low	40.6	Very low	35 Å²	35	78.8 Å²	78.8	14%	0.137	38%	0.382	C	S	.	.	S	Bend	trans	-121.7	106.5	168.2	-43.5	-96.8	0	0	0	107.7	P226 V229 P232 W245	P226-Y247 HydrophobicContact CG-CD1 4.02Å; P226-Y247 HydrophobicContact CG-CE1 3.71Å; V229-Y247 HydrophobicContact CG1-CE2 3.9Å; P232-Y247 HydrophobicContact CB-CD2 4.34Å; P232-Y247 WeakPolarHBondContact O-CB 3.23Å; P232-Y247 WeakPolarHBondContact O-CD2 3.24Å; W245-Y247 PolarHBondContact O-N 3.44Å
248	P	46.6	Very low	40.4	Very low	20 Å²	20	73.2 Å²	73.2	13%	0.13	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-76.8	144.3	-165.6	29	-33.7	0	0	0	111.4	P224 M250 L287 T289	P224-P248 WeakPolarHBondContact CG-O 3.03Å; P248-M250 PolarHBondContact O-N 2.81Å; P248-L287 HydrophobicContact CG-CD1 4.24Å; P248-L287 HydrophobicContact CG-CD2 3.96Å; P248-T289 HydrophobicContact CB-CG2 3.79Å; P248-T289 VanDerWaalsContact CB-OG1 3.24Å; P248-T289 WeakPolarHBondContact CB-OG1 3.18Å; P248-T289 HydrophobicContact CG-CG2 3.72Å; P248-T289 WeakPolarHBondContact CG-OG1 3.46Å
249	F	46	Very low	40.8	Very low	10 Å²	10	72 Å²	72	4%	0.044	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-58.4	136.7	175.4	-57	-74.1	0	0	0	110.9	F114 V123 L216 Y219 C233 W245 F251 T289	F114-F249 HydrophobicContact CE1-CD1 4.31Å; F114-F249 AromaticContact CE1-CE1 3.76Å; F114-F249 HydrophobicContact CE1-CE1 3.76Å; F114-F249 HydrophobicContact CE1-CZ 4.04Å; F114-F249 HydrophobicContact CZ-CD1 4.12Å; F114-F249 AromaticContact CZ-CE1 3.52Å; F114-F249 HydrophobicContact CZ-CE1 3.52Å; F114-F249 HydrophobicContact CZ-CZ 4.16Å; V123-F249 HydrophobicContact CG1-CZ 4.08Å; V123-F249 HydrophobicContact CG2-CZ 4.09Å; L216-F249 HydrophobicContact CD1-CB 3.82Å; L216-F249 HydrophobicContact CD1-CG 4.17Å; Y219-F249 HydrophobicContact CD2-CD1 4.39Å; Y219-F249 HydrophobicContact CD2-CE1 4.29Å; C233-F249 HydrophobicContact CB-CZ 4.28Å; C233-F249 WeakPolarHBondContact SG-CE1 3.17Å; W245-F249 AromaticContact CD1-CE2 3.8Å; W245-F249 AromaticContact CD2-CE2 3.7Å; W245-F249 HydrophobicContact CD2-CE2 3.7Å; W245-F249 HydrophobicContact CD2-CZ 4.11Å; W245-F249 AromaticContact CE2-CE2 3.7Å; W245-F249 HydrophobicContact CE3-CE2 4.32Å; W245-F249 HydrophobicContact CE3-CZ 4.27Å; W245-F249 HydrophobicContact CG-CD2 4.39Å; W245-F249 AromaticContact CG-CE2 3.79Å; W245-F249 HydrophobicContact CG-CE2 3.79Å; W245-F249 HydrophobicContact CZ2-CE2 4.31Å; W245-F249 AromaticContact NE1-CE2 3.75Å; F249-F251 HydrophobicContact CB-CD2 4.3Å; F249-F251 HydrophobicContact CB-CE2 3.71Å; F249-F251 HydrophobicContact CB-CZ 4.02Å; F249-F251 WeakPolarHBondContact O-CD2 3.46Å; F249-F251 WeakPolarHBondContact O-CE2 3.16Å; F249-F251 PolarHBondContact O-N 2.8Å; F249-T289 WeakPolarHBondContact O-CG2 3.41Å
250	M	42.5	Very low	41	Very low	70 Å²	70	68.9 Å²	68.9	35%	0.345	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-70.4	121.2	171.9	-149.2	175.8	64.7	0	0	108.3	D217 P248	D217-M250 CarbonylContact C-O 3.47Å; D217-M250 WeakPolarHBondContact CA-O 3.09Å; D217-M250 HydrophobicContact CB-CE 4.17Å; D217-M250 WeakPolarHBondContact CB-O 2.98Å; D217-M250 PolarHBondContact N-O 3.1Å; P248-M250 PolarHBondContact O-N 2.81Å
251	F	41	Very low	41.6	Very low	49 Å²	49	68.1 Å²	68.1	22%	0.215	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.8	174.1	-68.2	-90	0	0	0	108.1	L214 K215 L216 F249	L214-F251 HydrophobicContact CB-CB 4.45Å; L214-F251 HydrophobicContact CB-CD1 4.02Å; L214-F251 HydrophobicContact CD1-CD1 4.49Å; L214-F251 HydrophobicContact CD2-CB 4.35Å; K215-F251 CarbonylContact O-C 3.57Å; K215-F251 WeakPolarHBondContact O-CA 3.05Å; L216-F251 HydrophobicContact CB-CD1 4.25Å; L216-F251 HydrophobicContact CB-CE1 4.15Å; L216-F251 HydrophobicContact CD1-CD1 3.79Å; L216-F251 HydrophobicContact CD1-CE1 3.19Å; L216-F251 HydrophobicContact CD1-CE2 4.36Å; L216-F251 HydrophobicContact CD1-CZ 3.52Å; L216-F251 HydrophobicContact CG-CE1 4.27Å; F249-F251 HydrophobicContact CB-CD2 4.3Å; F249-F251 HydrophobicContact CB-CE2 3.71Å; F249-F251 HydrophobicContact CB-CZ 4.02Å; F249-F251 WeakPolarHBondContact O-CD2 3.46Å; F249-F251 WeakPolarHBondContact O-CE2 3.16Å; F249-F251 PolarHBondContact O-N 2.8Å
252	S	38.8	Very low	42.5	Very low	28 Å²	28	71.6 Å²	71.6	20%	0.196	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	141	166.6	50.7	0	0	0	0	110.2	K215 D217 E254	K215-S252 PolarHBondContact N-O 3.18Å; K215-S252 PolarHBondContact O-N 3.2Å; K215-S252 VanDerWaalsContact O-O 3.06Å; D217-S252 WeakPolarHBondContact OD1-CB 3.2Å; D217-S252 PolarHBondContact OD1-OG 2.93Å; D217-S252 WeakPolarHBondContact OD2-CB 3.35Å; D217-S252 PolarHBondContact OD2-OG 2.84Å; S252-E254 PolarHBondContact O-N 3.09Å; S252-E254 VanDerWaalsContact O-N 3.17Å
253	K	41	Very low	43.2	Very low	88 Å²	88	70.6 Å²	70.6	38%	0.383	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	108.7	173.1	-160.3	172.5	-167	164.3	0	107.5	Y307 E308	K253-Y307 PolarHBondContact NZ-OH 3.48Å; K253-Y307 VanDerWaalsContact NZ-OH 3.1Å; K253-E308 IonicContact NZ-OE1 2.81Å; K253-E308 PolarHBondContact NZ-OE1 3.22Å
254	E	35.9	Very low	43.7	Very low	69 Å²	69	68.2 Å²	68.2	32%	0.322	34%	0.335	S	S	.	.			trans	-75.9	-43.5	-175.5	-155.5	178.8	-166.3	0	0	111.4	R200 S213 K215 S252	R200-E254 IonicContact CZ-OE1 3.79Å; R200-E254 IonicContact NE-OE1 3.74Å; R200-E254 IonicContact NH2-OE1 2.93Å; R200-E254 PolarHBondContact NH2-OE1 3.15Å; S213-E254 PolarHBondContact O-N 3.46Å; S213-E254 PolarHBondContact OG-OE2 2.81Å; K215-E254 HydrophobicContact CB-CB 3.71Å; K215-E254 HydrophobicContact CB-CG 3.83Å; K215-E254 HydrophobicContact CD-CG 4.1Å; S252-E254 PolarHBondContact O-N 3.09Å; S252-E254 VanDerWaalsContact O-N 3.17Å
255	K	39	Very low	44.3	Very low	134 Å²	134	70.2 Å²	70.2	58%	0.583	35%	0.347	S	S	*	.			trans	-150.2	143.1	-177.9	-100.5	175.9	178.4	175.6	0	112.4	H212	H212-K255 PolarHBondContact ND1-O 2.98Å
256	N	43	Very low	44.6	Very low	106 Å²	106	73.1 Å²	73.1	57%	0.567	36%	0.363	S	S	*	.			trans	-95.2	94.9	177.8	-154.5	-8.4	0	0	0	108.6	H212 G258 I260	H212-N256 PolarHBondContact CE1-OD1 2.84Å; N256-G258 PolarHBondContact O-N 2.97Å; N256-I260 WeakPolarHBondContact OD1-CD1 3.44Å
257	C	40.1	Very low	44.6	Very low	34 Å²	34	70.7 Å²	70.7	23%	0.23	35%	0.352	C	S	.	.			trans	-77.5	34.9	-173	-47.6	0	0	0	0	113.8	T211 A259	T211-C257 WeakPolarHBondContact O-CB 3.26Å; C257-A259 PolarHBondContact O-N 3.26Å
258	G	37	Very low	44.8	Very low	70 Å²	70	75.2 Å²	75.2	72%	0.722	38%	0.375	S	S	*	.	S	Bend	trans	72.2	-15.5	168.8	0	0	0	0	0	117.7	N256	N256-G258 PolarHBondContact O-N 2.97Å
259	A	45.6	Very low	45.3	Very low	28 Å²	28	78.9 Å²	78.9	23%	0.231	39%	0.393	C	S	.	.			trans	-96.6	-0.2	-170.3	0	0	0	0	0	116.2	T211 C257 K261 K262 L263	T211-A259 HydrophobicContact CG2-CB 3.75Å; C257-A259 PolarHBondContact O-N 3.26Å; A259-K261 VanDerWaalsContact C-N 3.26Å; A259-K261 PolarHBondContact O-N 3.23Å; A259-K262 PolarHBondContact O-N 2.86Å; A259-L263 PolarHBondContact O-N 3.45Å
260	I	42.1	Very low	45.5	Very low	23 Å²	23	84.8 Å²	84.8	12%	0.118	42%	0.419	C	S	.	.	H	α-helix	trans	-53.8	-40.9	-179.4	-70.1	-178	0	0	0	112.9	H212 N256 K262 L263 R264 Y307	H212-I260 VanDerWaalsContact CE1-CD1 3.42Å; H212-I260 WeakPolarHBondContact CE1-CD1 2.99Å; H212-I260 WeakPolarHBondContact CE1-CG1 3.45Å; H212-I260 VanDerWaalsContact NE2-CD1 3.29Å; H212-I260 WeakPolarHBondContact NE2-CD1 3.45Å; H212-I260 WeakPolarHBondContact NE2-CG1 3.32Å; N256-I260 WeakPolarHBondContact OD1-CD1 3.44Å; I260-K262 VanDerWaalsContact C-N 3.32Å; I260-K262 PolarHBondContact O-N 2.69Å; I260-L263 PolarHBondContact O-N 2.87Å; I260-R264 HydrophobicContact CG2-CG 4.43Å; I260-R264 WeakPolarHBondContact O-CB 3.07Å; I260-R264 PolarHBondContact O-N 2.8Å; I260-Y307 WeakPolarHBondContact CD1-OH 3.38Å
261	K	45.7	Very low	45.7	Very low	179 Å²	179	83.2 Å²	83.2	78%	0.778	41%	0.414	S	S	*	.	H	α-helix	trans	-60.9	-42.8	179.6	-89.5	-173.9	174.6	-179	0	111.2	A259 Q265	A259-K261 VanDerWaalsContact C-N 3.26Å; A259-K261 PolarHBondContact O-N 3.23Å; K261-Q265 VanDerWaalsContact O-CB 3.26Å; K261-Q265 WeakPolarHBondContact O-CB 3.17Å; K261-Q265 PolarHBondContact O-N 3.29Å; K261-Q265 VanDerWaalsContact O-N 3.08Å
262	K	49.6	Very low	45.9	Very low	153 Å²	153	86.2 Å²	86.2	67%	0.665	44%	0.437	S	S	*	.	H	α-helix	trans	-66.9	-44.9	177.1	-77.9	-174.1	174.8	-178.2	0	111.7	A259 I260 Q265 E266	A259-K262 PolarHBondContact O-N 2.86Å; I260-K262 VanDerWaalsContact C-N 3.32Å; I260-K262 PolarHBondContact O-N 2.69Å; K262-Q265 PolarHBondContact O-N 2.61Å; K262-E266 WeakPolarHBondContact O-CB 3.41Å; K262-E266 WeakPolarHBondContact O-CG 2.91Å; K262-E266 PolarHBondContact O-N 3.36Å
263	L	45.1	Very low	46.1	Very low	23 Å²	23	91.2 Å²	91.2	12%	0.12	47%	0.466	C	S	.	.	H	α-helix	trans	-66	-42.8	-179.7	-167.7	73.3	0	0	0	112.3	P209 A259 I260 Q265 E266 I267	P209-L263 WeakPolarHBondContact O-CD1 3.36Å; A259-L263 PolarHBondContact O-N 3.45Å; I260-L263 PolarHBondContact O-N 2.87Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.03Å; L263-E266 PolarHBondContact O-N 3.18Å; L263-I267 HydrophobicContact CD2-CD1 4.36Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 WeakPolarHBondContact O-CB 3.44Å; L263-I267 WeakPolarHBondContact O-CD1 3.29Å; L263-I267 VanDerWaalsContact O-CG1 3.23Å; L263-I267 WeakPolarHBondContact O-CG1 3.13Å; L263-I267 PolarHBondContact O-N 2.97Å
264	R	49.4	Very low	45.9	Very low	118 Å²	118	89.1 Å²	89.1	45%	0.445	47%	0.47	S	S	.	.	H	α-helix	trans	-57.1	-46.8	171.8	-89.8	-169.2	-170.2	171.8	2.4	110.9	I260 I267 Q268 E308 L310	I260-R264 HydrophobicContact CG2-CG 4.43Å; I260-R264 WeakPolarHBondContact O-CB 3.07Å; I260-R264 PolarHBondContact O-N 2.8Å; R264-I267 PolarHBondContact O-N 3.39Å; R264-Q268 WeakPolarHBondContact O-CB 3.14Å; R264-Q268 PolarHBondContact O-N 3.28Å; R264-E308 IonicContact CZ-OE2 2.78Å; R264-E308 IonicContact NE-OE2 3.2Å; R264-E308 IonicContact NH2-OE2 2.67Å; R264-E308 PolarHBondContact NH2-OE2 3.48Å; R264-L310 HydrophobicContact CG-CD1 3.87Å
265	Q	56.4	Low	46	Very low	117 Å²	117	91.7 Å²	91.7	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-66.8	-38	-178.5	-156	164.1	12.1	0	0	111.6	K261 K262 L263 Q268 N269	K261-Q265 VanDerWaalsContact O-CB 3.26Å; K261-Q265 WeakPolarHBondContact O-CB 3.17Å; K261-Q265 PolarHBondContact O-N 3.29Å; K261-Q265 VanDerWaalsContact O-N 3.08Å; K262-Q265 PolarHBondContact O-N 2.61Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.03Å; Q265-Q268 PolarHBondContact O-N 3.3Å; Q265-N269 WeakPolarHBondContact O-CB 3.26Å; Q265-N269 PolarHBondContact O-N 2.77Å; Q265-N269 PolarHBondContact O-ND2 3.02Å; Q265-N269 PolarHBondContact O-OD1 3.18Å
266	E	52.6	Low	46.2	Very low	116 Å²	116	88.2 Å²	88.2	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-65.5	-44.2	173.1	-78.3	179.3	-171.1	0	0	112.8	K262 L263 K270	K262-E266 WeakPolarHBondContact O-CB 3.41Å; K262-E266 WeakPolarHBondContact O-CG 2.91Å; K262-E266 PolarHBondContact O-N 3.36Å; L263-E266 PolarHBondContact O-N 3.18Å; E266-K270 WeakPolarHBondContact O-CB 3.35Å; E266-K270 WeakPolarHBondContact O-CG 3.29Å; E266-K270 PolarHBondContact O-N 2.95Å
267	I	48.6	Very low	46.5	Very low	15 Å²	15	85.1 Å²	85.1	8%	0.077	46%	0.461	C	S	.	.	H	α-helix	trans	-63.8	-44.9	175.5	-68.1	164	0	0	0	109.9	L263 R264 K270 C271 L310 V312	L263-I267 HydrophobicContact CD2-CD1 4.36Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 WeakPolarHBondContact O-CB 3.44Å; L263-I267 WeakPolarHBondContact O-CD1 3.29Å; L263-I267 VanDerWaalsContact O-CG1 3.23Å; L263-I267 WeakPolarHBondContact O-CG1 3.13Å; L263-I267 PolarHBondContact O-N 2.97Å; R264-I267 PolarHBondContact O-N 3.39Å; I267-K270 PolarHBondContact O-N 3.32Å; I267-C271 WeakPolarHBondContact O-CB 3.42Å; I267-C271 PolarHBondContact O-N 3.05Å; I267-C271 PolarHBondContact O-SG 3.48Å; I267-L310 HydrophobicContact CG2-CB 4.34Å; I267-V312 HydrophobicContact CD1-CG2 3.78Å
268	Q	55.6	Low	46.8	Very low	130 Å²	130	87.8 Å²	87.8	61%	0.607	47%	0.467	S	S	*	.	H	α-helix	trans	-65.4	-42.4	-179.2	-160.4	160.2	8.7	0	0	111.1	R264 Q265 K270 C271 T272	R264-Q268 WeakPolarHBondContact O-CB 3.14Å; R264-Q268 PolarHBondContact O-N 3.28Å; Q265-Q268 PolarHBondContact O-N 3.3Å; Q268-K270 PolarHBondContact O-N 2.99Å; Q268-C271 PolarHBondContact O-N 3.17Å; Q268-T272 PolarHBondContact O-N 2.61Å; Q268-T272 PolarHBondContact O-OG1 3.02Å
269	N	56.7	Low	47.4	Very low	97 Å²	97	91.4 Å²	91.4	52%	0.519	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-40.4	173.6	-72.2	-11.3	0	0	0	112.2	Q265 T272 V273	Q265-N269 WeakPolarHBondContact O-CB 3.26Å; Q265-N269 PolarHBondContact O-N 2.77Å; Q265-N269 PolarHBondContact O-ND2 3.02Å; Q265-N269 PolarHBondContact O-OD1 3.18Å; N269-T272 VanDerWaalsContact C-OG1 3.3Å; N269-T272 VanDerWaalsContact CA-OG1 3.31Å; N269-T272 WeakPolarHBondContact CA-OG1 2.98Å; N269-T272 PolarHBondContact O-N 2.94Å; N269-T272 PolarHBondContact O-OG1 3.25Å; N269-V273 VanDerWaalsContact O-CG2 3.28Å; N269-V273 WeakPolarHBondContact O-CG2 3.11Å; N269-V273 PolarHBondContact O-N 2.87Å
270	K	49.3	Very low	47.6	Very low	133 Å²	133	90.7 Å²	90.7	58%	0.578	46%	0.456	S	S	*	.	H	α-helix	trans	-69.7	-38	175.7	-77	-172.9	176.1	-173.1	0	112.4	E266 I267 Q268 T272 V273 G274	E266-K270 WeakPolarHBondContact O-CB 3.35Å; E266-K270 WeakPolarHBondContact O-CG 3.29Å; E266-K270 PolarHBondContact O-N 2.95Å; I267-K270 PolarHBondContact O-N 3.32Å; Q268-K270 PolarHBondContact O-N 2.99Å; K270-T272 VanDerWaalsContact C-N 3.32Å; K270-T272 PolarHBondContact O-N 2.9Å; K270-V273 PolarHBondContact O-N 2.88Å; K270-G274 PolarHBondContact O-N 2.9Å
271	C	46.5	Very low	47.9	Very low	38 Å²	38	92 Å²	92	26%	0.257	48%	0.475	S	S	.	.	H	α-helix	trans	-67.3	-27.9	175.7	-80.7	0	0	0	0	114	I267 Q268 C276	I267-C271 WeakPolarHBondContact O-CB 3.42Å; I267-C271 PolarHBondContact O-N 3.05Å; I267-C271 PolarHBondContact O-SG 3.48Å; Q268-C271 PolarHBondContact O-N 3.17Å; C271-C276 WeakPolarHBondContact CA-SG 3.17Å; C271-C276 HydrophobicContact CB-CB 3.55Å; C271-C276 WeakPolarHBondContact CB-SG 2.94Å; C271-C276 WeakPolarHBondContact SG-CB 3.13Å; C271-C276 CovalentContact SG-SG 2.02Å; C271-C276 PolarHBondContact SG-SG 3.37Å
272	T	45.7	Very low	47.8	Very low	112 Å²	112	93.6 Å²	93.6	69%	0.687	48%	0.476	S	S	*	.	H	α-helix	trans	-76	-21.4	173.3	33.9	0	0	0	0	113.7	Q268 N269 K270	Q268-T272 PolarHBondContact O-N 2.61Å; Q268-T272 PolarHBondContact O-OG1 3.02Å; N269-T272 VanDerWaalsContact C-OG1 3.3Å; N269-T272 VanDerWaalsContact CA-OG1 3.31Å; N269-T272 WeakPolarHBondContact CA-OG1 2.98Å; N269-T272 PolarHBondContact O-N 2.94Å; N269-T272 PolarHBondContact O-OG1 3.25Å; K270-T272 VanDerWaalsContact C-N 3.32Å; K270-T272 PolarHBondContact O-N 2.9Å
273	V	42.8	Very low	47.6	Very low	132 Å²	132	96 Å²	96	80%	0.8	49%	0.487	S	S	*	.	H	α-helix	trans	-94.8	-20.6	-175.6	178.5	0	0	0	0	112.4	N269 K270	N269-V273 VanDerWaalsContact O-CG2 3.28Å; N269-V273 WeakPolarHBondContact O-CG2 3.11Å; N269-V273 PolarHBondContact O-N 2.87Å; K270-V273 PolarHBondContact O-N 2.88Å
274	G	37.8	Very low	47.3	Very low	45 Å²	45	98.7 Å²	98.7	46%	0.464	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.9	121	168.8	0	0	0	0	0	109.8	K270 C276	K270-G274 PolarHBondContact O-N 2.9Å; G274-C276 PolarHBondContact O-N 2.89Å
275	D	38.5	Very low	46.6	Very low	122 Å²	122	98.5 Å²	98.5	65%	0.652	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-27.3	108.2	-179.3	-78	-30.1	0	0	0	112.2	N277	D275-N277 WeakPolarHBondContact CB-ND2 2.89Å; D275-N277 PolarHBondContact O-N 3.37Å; D275-N277 PolarHBondContact O-ND2 2.87Å
276	C	41.7	Very low	45.5	Very low	62 Å²	62	101 Å²	101	42%	0.419	53%	0.526	S	S	.	.			trans	-71.4	75.9	175.4	-104.3	0	0	0	0	110.6	C271 G274 Y278	C271-C276 WeakPolarHBondContact CA-SG 3.17Å; C271-C276 HydrophobicContact CB-CB 3.55Å; C271-C276 WeakPolarHBondContact CB-SG 2.94Å; C271-C276 WeakPolarHBondContact SG-CB 3.13Å; C271-C276 CovalentContact SG-SG 2.02Å; C271-C276 PolarHBondContact SG-SG 3.37Å; G274-C276 PolarHBondContact O-N 2.89Å; C276-Y278 PolarHBondContact O-N 2.92Å
277	N	49.8	Very low	44.6	Very low	41 Å²	41	97.6 Å²	97.6	22%	0.219	51%	0.512	C	S	.	.			trans	-77.7	39.8	173.8	-77.3	-56.2	0	0	0	110.8	D275 S296 S297 K298	D275-N277 WeakPolarHBondContact CB-ND2 2.89Å; D275-N277 PolarHBondContact O-N 3.37Å; D275-N277 PolarHBondContact O-ND2 2.87Å; N277-S296 CarbonylContact O-C 3.53Å; N277-S296 VanDerWaalsContact O-CA 3.3Å; N277-S296 WeakPolarHBondContact O-CA 3.11Å; N277-S297 VanDerWaalsContact C-OG 3.22Å; N277-S297 WeakPolarHBondContact CA-OG 3.49Å; N277-S297 WeakPolarHBondContact CB-OG 3.2Å; N277-S297 PolarHBondContact O-N 2.94Å; N277-S297 PolarHBondContact O-OG 2.99Å; N277-S297 PolarHBondContact OD1-OG 2.86Å; N277-K298 HydrophobicContact CB-CG 4.46Å; N277-K298 VanDerWaalsContact ND2-CE 3.26Å; N277-K298 WeakPolarHBondContact ND2-CE 3.47Å; N277-K298 PolarHBondContact ND2-NZ 3.09Å
278	Y	46.9	Very low	43.8	Very low	90 Å²	90	103.2 Å²	103.2	35%	0.353	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	114.8	-177.1	-56.8	-81.8	0	0	0	109.7	C276 E295 F303	C276-Y278 PolarHBondContact O-N 2.92Å; Y278-E295 VanDerWaalsContact CA-O 3.32Å; Y278-E295 WeakPolarHBondContact CA-O 3.39Å; Y278-F303 HydrophobicContact CD1-CB 4.34Å; Y278-F303 HydrophobicContact CE1-CB 3.95Å; Y278-F303 HydrophobicContact CE1-CD2 4.03Å; Y278-F303 HydrophobicContact CE1-CG 4.26Å
279	K	49.6	Very low	42.8	Very low	145 Å²	145	97.3 Å²	97.3	63%	0.63	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.2	177.5	-71.4	-178.7	-178.7	174.7	0	108.8	E295	K279-E295 PolarHBondContact N-O 3.14Å; K279-E295 VanDerWaalsContact N-O 3.11Å; K279-E295 PolarHBondContact O-N 2.8Å
280	C	49.7	Very low	41.7	Very low	14 Å²	14	93.8 Å²	93.8	10%	0.095	50%	0.498	C	S	.	.			trans	-64.6	132.6	159.4	-66.5	0	0	0	0	108.5	R282 C306	C280-R282 WeakPolarHBondContact O-CG 3.33Å; C280-R282 PolarHBondContact O-N 2.67Å; C280-C306 WeakPolarHBondContact CA-SG 3.11Å; C280-C306 HydrophobicContact CB-CB 3.83Å; C280-C306 WeakPolarHBondContact CB-SG 3.31Å; C280-C306 WeakPolarHBondContact SG-CB 3.47Å; C280-C306 CovalentContact SG-SG 2.03Å; C280-C306 PolarHBondContact SG-SG 2.98Å
281	G	48.4	Very low	41.3	Very low	51 Å²	51	92.9 Å²	92.9	53%	0.526	50%	0.499	S	S	.	.			trans	-54.6	97.2	-178.2	0	0	0	0	0	110.8	K283	G281-K283 PolarHBondContact O-N 2.84Å; G281-K283 VanDerWaalsContact O-N 3.11Å
282	R	43	Very low	41.2	Very low	212 Å²	212	93.7 Å²	93.7	80%	0.8	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	12.1	-169.8	-87.6	-171.5	-178.6	-176.7	0.4	114.7	C280 N284	C280-R282 WeakPolarHBondContact O-CG 3.33Å; C280-R282 PolarHBondContact O-N 2.67Å; R282-N284 VanDerWaalsContact C-N 3.3Å; R282-N284 PolarHBondContact O-N 3.48Å
283	K	46.3	Very low	41.2	Very low	203 Å²	203	89.3 Å²	89.3	88%	0.883	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.7	-175.9	-73.4	-168.2	177.9	-176.8	0	114.5	G281	G281-K283 PolarHBondContact O-N 2.84Å; G281-K283 VanDerWaalsContact O-N 3.11Å
284	N	37.8	Very low	41.7	Very low	80 Å²	80	83 Å²	83	43%	0.428	44%	0.437	S	S	.	.			trans	-143.3	93	174.4	-109.3	-34.4	0	0	0	112.8	R282 H286 L287	R282-N284 VanDerWaalsContact C-N 3.3Å; R282-N284 PolarHBondContact O-N 3.48Å; N284-H286 PolarHBondContact O-N 2.98Å; N284-H286 VanDerWaalsContact O-N 3.09Å; N284-L287 HydrophobicContact CB-CB 4.44Å; N284-L287 HydrophobicContact CB-CD1 3.62Å; N284-L287 HydrophobicContact CB-CG 4.1Å; N284-L287 PolarHBondContact O-N 3.46Å
285	P	34.2	Very low	42.5	Very low	113 Å²	113	85.5 Å²	85.5	73%	0.734	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.7	-176.4	25.9	-32.8	0	0	0	114.8
286	H	34.6	Very low	43.2	Very low	169 Å²	169	80.1 Å²	80.1	78%	0.782	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-5	-178.8	-59.1	-59.2	0	0	0	114.3	N284 N288	N284-H286 PolarHBondContact O-N 2.98Å; N284-H286 VanDerWaalsContact O-N 3.09Å; H286-N288 PolarHBondContact O-N 3.22Å; H286-N288 VanDerWaalsContact O-N 3.14Å
287	L	33	Very low	43.9	Very low	46 Å²	46	80.4 Å²	80.4	24%	0.241	41%	0.411	C	S	.	.			trans	-86.5	86.3	175.8	-73.7	169.5	0	0	0	109.9	P224 P248 N284 T289	P224-L287 HydrophobicContact CB-CD2 3.57Å; P224-L287 HydrophobicContact CG-CD2 4.15Å; P248-L287 HydrophobicContact CG-CD1 4.24Å; P248-L287 HydrophobicContact CG-CD2 3.96Å; N284-L287 HydrophobicContact CB-CB 4.44Å; N284-L287 HydrophobicContact CB-CD1 3.62Å; N284-L287 HydrophobicContact CB-CG 4.1Å; N284-L287 PolarHBondContact O-N 3.46Å; L287-T289 HydrophobicContact CD2-CG2 4.42Å; L287-T289 PolarHBondContact O-N 2.93Å
288	N	32.3	Very low	44.1	Very low	132 Å²	132	85.6 Å²	85.6	71%	0.706	43%	0.432	S	S	*	.			trans	-77.2	42.2	175.7	-135.4	0	0	0	0	111.6	H286	H286-N288 PolarHBondContact O-N 3.22Å; H286-N288 VanDerWaalsContact O-N 3.14Å
289	T	34.4	Very low	44.5	Very low	7 Å²	7	85.3 Å²	85.3	4%	0.043	44%	0.439	C	S	.	.			trans	-102.3	106.7	-175	64.4	0	0	0	0	109	P248 F249 L287 L291	P248-T289 HydrophobicContact CB-CG2 3.79Å; P248-T289 VanDerWaalsContact CB-OG1 3.24Å; P248-T289 WeakPolarHBondContact CB-OG1 3.18Å; P248-T289 HydrophobicContact CG-CG2 3.72Å; P248-T289 WeakPolarHBondContact CG-OG1 3.46Å; F249-T289 WeakPolarHBondContact O-CG2 3.41Å; L287-T289 HydrophobicContact CD2-CG2 4.42Å; L287-T289 PolarHBondContact O-N 2.93Å; T289-L291 PolarHBondContact O-N 3.4Å
290	S	33.2	Very low	44.7	Very low	23 Å²	23	80.4 Å²	80.4	16%	0.161	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	32	-171.1	41	0	0	0	0	116.1	L214 C306	L214-S290 VanDerWaalsContact CD1-OG 3.32Å; L214-S290 WeakPolarHBondContact CD1-OG 3.42Å; S290-C306 CarbonylContact C-O 3.5Å
291	L	41.3	Very low	44.7	Very low	114 Å²	114	87.9 Å²	87.9	60%	0.597	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	28.6	175.6	-76.3	169.6	0	0	0	112.9	T289 A293	T289-L291 PolarHBondContact O-N 3.4Å; L291-A293 PolarHBondContact O-N 2.99Å
292	L	44.6	Very low	44.8	Very low	55 Å²	55	88.6 Å²	88.6	29%	0.288	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-73	124	167.5	-69.9	171.1	0	0	0	108.7	C294 F305 C306	L292-C294 PolarHBondContact O-N 2.87Å; L292-F305 CarbonylContact O-C 2.89Å; L292-F305 WeakPolarHBondContact O-CA 3.44Å; L292-C306 HydrophobicContact CB-CB 4.09Å; L292-C306 WeakPolarHBondContact O-CB 3.39Å; L292-C306 PolarHBondContact O-N 2.9Å
293	A	45.4	Very low	45.3	Very low	19 Å²	19	81 Å²	81	16%	0.157	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	133.3	177.7	0	0	0	0	0	109.9	L238 L242 L291 L302 G304	L238-A293 HydrophobicContact CD1-CB 4.09Å; L242-A293 HydrophobicContact CD2-CB 4Å; L291-A293 PolarHBondContact O-N 2.99Å; A293-L302 HydrophobicContact CB-CB 4.03Å; A293-L302 HydrophobicContact CB-CD1 4Å; A293-L302 HydrophobicContact CB-CD2 3.95Å; A293-L302 HydrophobicContact CB-CG 4.22Å; A293-G304 VanDerWaalsContact CA-O 3.25Å; A293-G304 WeakPolarHBondContact CA-O 3.45Å
294	C	53.3	Low	45.5	Very low	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.1	176.3	-44.9	0	0	0	0	110.6	L292 L302 F303 G304 F305 C311	L292-C294 PolarHBondContact O-N 2.87Å; C294-L302 CarbonylContact O-C 3.54Å; C294-L302 WeakPolarHBondContact O-CA 3.09Å; C294-F303 VanDerWaalsContact CB-O 3.27Å; C294-F303 WeakPolarHBondContact CB-O 3.18Å; C294-F303 PolarHBondContact O-N 3.31Å; C294-F303 PolarHBondContact SG-O 2.94Å; C294-G304 PolarHBondContact N-O 2.74Å; C294-G304 VanDerWaalsContact N-O 3.11Å; C294-F305 PolarHBondContact SG-O 3.3Å; C294-F305 VanDerWaalsContact SG-O 3.38Å; C294-C311 HydrophobicContact CB-CB 3.69Å; C294-C311 WeakPolarHBondContact CB-SG 3.5Å; C294-C311 WeakPolarHBondContact SG-CA 3.36Å; C294-C311 WeakPolarHBondContact SG-CB 3.24Å; C294-C311 CovalentContact SG-SG 2.02Å; C294-C311 PolarHBondContact SG-SG 3.07Å
295	E	55.1	Low	46.3	Very low	98 Å²	98	69.8 Å²	69.8	46%	0.458	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.9	176.3	-162.6	-178.9	173.6	0	0	111.6	Y278 K279 S297 G300 L302	Y278-E295 VanDerWaalsContact CA-O 3.32Å; Y278-E295 WeakPolarHBondContact CA-O 3.39Å; K279-E295 PolarHBondContact N-O 3.14Å; K279-E295 VanDerWaalsContact N-O 3.11Å; K279-E295 PolarHBondContact O-N 2.8Å; E295-S297 PolarHBondContact O-N 2.87Å; E295-G300 WeakPolarHBondContact OE1-CA 3.24Å; E295-L302 HydrophobicContact CB-CD2 3.83Å; E295-L302 HydrophobicContact CG-CD2 4.02Å
296	S	52.2	Low	47.1	Very low	8 Å²	8	64.9 Å²	64.9	6%	0.056	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	119.4	170.5	168.7	0	0	0	0	110.2	N277 K298 T299 G300 R301	N277-S296 CarbonylContact O-C 3.53Å; N277-S296 VanDerWaalsContact O-CA 3.3Å; N277-S296 WeakPolarHBondContact O-CA 3.11Å; S296-K298 PolarHBondContact O-N 3.15Å; S296-K298 PolarHBondContact OG-N 3.4Å; S296-T299 VanDerWaalsContact CB-OG1 3.24Å; S296-T299 WeakPolarHBondContact CB-OG1 3.49Å; S296-T299 PolarHBondContact O-N 2.9Å; S296-T299 PolarHBondContact OG-N 3.09Å; S296-T299 PolarHBondContact OG-OG1 2.84Å; S296-G300 VanDerWaalsContact O-CA 3.28Å; S296-G300 WeakPolarHBondContact O-CA 3.28Å; S296-G300 PolarHBondContact O-N 3.48Å; S296-R301 WeakPolarHBondContact CB-O 3.42Å; S296-R301 PolarHBondContact N-O 3.45Å
297	S	56.2	Low	47.7	Very low	69 Å²	69	57.7 Å²	57.7	48%	0.483	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.9	175.7	57.2	0	0	0	0	113.6	N277 E295	N277-S297 VanDerWaalsContact C-OG 3.22Å; N277-S297 WeakPolarHBondContact CA-OG 3.49Å; N277-S297 WeakPolarHBondContact CB-OG 3.2Å; N277-S297 PolarHBondContact O-N 2.94Å; N277-S297 PolarHBondContact O-OG 2.99Å; N277-S297 PolarHBondContact OD1-OG 2.86Å; E295-S297 PolarHBondContact O-N 2.87Å
298	K	53.7	Low	48.4	Very low	149 Å²	149	58.8 Å²	58.8	65%	0.648	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-34.5	174.9	-78.7	-177	176.2	171.1	0	113	N277 S296	N277-K298 HydrophobicContact CB-CG 4.46Å; N277-K298 VanDerWaalsContact ND2-CE 3.26Å; N277-K298 WeakPolarHBondContact ND2-CE 3.47Å; N277-K298 PolarHBondContact ND2-NZ 3.09Å; S296-K298 PolarHBondContact O-N 3.15Å; S296-K298 PolarHBondContact OG-N 3.4Å
299	T	55.6	Low	49.2	Very low	84 Å²	84	58.9 Å²	58.9	52%	0.515	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-6.9	-169.2	62.7	0	0	0	0	114.4	S296 R301	S296-T299 VanDerWaalsContact CB-OG1 3.24Å; S296-T299 WeakPolarHBondContact CB-OG1 3.49Å; S296-T299 PolarHBondContact O-N 2.9Å; S296-T299 PolarHBondContact OG-N 3.09Å; S296-T299 PolarHBondContact OG-OG1 2.84Å; T299-R301 PolarHBondContact O-N 2.94Å; T299-R301 VanDerWaalsContact O-N 3.11Å; T299-R301 WeakPolarHBondContact OG1-CB 3.3Å; T299-R301 PolarHBondContact OG1-N 3.23Å
300	G	53.5	Low	49.9	Very low	42 Å²	42	61.1 Å²	61.1	43%	0.433	32%	0.321	S	S	.	.			trans	63.5	9.9	-172.1	0	0	0	0	0	114	E295 S296	E295-G300 WeakPolarHBondContact OE1-CA 3.24Å; S296-G300 VanDerWaalsContact O-CA 3.28Å; S296-G300 WeakPolarHBondContact O-CA 3.28Å; S296-G300 PolarHBondContact O-N 3.48Å
301	R	50.2	Low	50.9	Low	172 Å²	172	60.6 Å²	60.6	65%	0.649	32%	0.317	S	S	*	.			trans	-87.9	140.4	-175.9	-74.7	-175.8	174.4	179.1	-1.6	110.1	S296 T299 F303	S296-R301 WeakPolarHBondContact CB-O 3.42Å; S296-R301 PolarHBondContact N-O 3.45Å; T299-R301 PolarHBondContact O-N 2.94Å; T299-R301 VanDerWaalsContact O-N 3.11Å; T299-R301 WeakPolarHBondContact OG1-CB 3.3Å; T299-R301 PolarHBondContact OG1-N 3.23Å; R301-F303 HydrophobicContact CB-CD2 3.96Å; R301-F303 HydrophobicContact CB-CE2 3.44Å; R301-F303 VanDerWaalsContact CB-CE2 3.44Å; R301-F303 HydrophobicContact CB-CZ 4.3Å; R301-F303 WeakPolarHBondContact O-CD2 3.45Å
302	L	51.5	Low	51.4	Low	66 Å²	66	56 Å²	56	35%	0.346	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.6	-179.1	-62.7	173.5	0	0	0	111.2	L238 A293 C294 E295	L238-L302 HydrophobicContact CB-CD1 4.25Å; L238-L302 HydrophobicContact CD1-CD1 3.73Å; L238-L302 HydrophobicContact CD2-CD1 3.49Å; L238-L302 VanDerWaalsContact CD2-CD1 3.49Å; L238-L302 HydrophobicContact CG-CD1 3.98Å; A293-L302 HydrophobicContact CB-CB 4.03Å; A293-L302 HydrophobicContact CB-CD1 4Å; A293-L302 HydrophobicContact CB-CD2 3.95Å; A293-L302 HydrophobicContact CB-CG 4.22Å; C294-L302 CarbonylContact O-C 3.54Å; C294-L302 WeakPolarHBondContact O-CA 3.09Å; E295-L302 HydrophobicContact CB-CD2 3.83Å; E295-L302 HydrophobicContact CG-CD2 4.02Å
303	F	53.9	Low	51.5	Low	53 Å²	53	56.6 Å²	56.6	23%	0.232	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	97.8	-173.9	-78.2	-78	0	0	0	111.2	Y278 C294 R301 C311 F317	Y278-F303 HydrophobicContact CD1-CB 4.34Å; Y278-F303 HydrophobicContact CE1-CB 3.95Å; Y278-F303 HydrophobicContact CE1-CD2 4.03Å; Y278-F303 HydrophobicContact CE1-CG 4.26Å; C294-F303 VanDerWaalsContact CB-O 3.27Å; C294-F303 WeakPolarHBondContact CB-O 3.18Å; C294-F303 PolarHBondContact O-N 3.31Å; C294-F303 PolarHBondContact SG-O 2.94Å; R301-F303 HydrophobicContact CB-CD2 3.96Å; R301-F303 HydrophobicContact CB-CE2 3.44Å; R301-F303 VanDerWaalsContact CB-CE2 3.44Å; R301-F303 HydrophobicContact CB-CZ 4.3Å; R301-F303 WeakPolarHBondContact O-CD2 3.45Å; F303-C311 PolarHBondContact O-SG 3.45Å; F303-C311 VanDerWaalsContact O-SG 3.39Å; F303-F317 HydrophobicContact CD1-CG 4.43Å; F303-F317 AromaticContact CE1-CD1 3.83Å; F303-F317 HydrophobicContact CE1-CD1 3.83Å; F303-F317 HydrophobicContact CE1-CE1 4.09Å; F303-F317 HydrophobicContact CE1-CG 4.17Å
304	G	49.9	Very low	51.6	Low	9 Å²	9	61 Å²	61	9%	0.093	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.8	-159	177.6	0	0	0	0	0	114	A293 C294 V312	A293-G304 VanDerWaalsContact CA-O 3.25Å; A293-G304 WeakPolarHBondContact CA-O 3.45Å; C294-G304 PolarHBondContact N-O 2.74Å; C294-G304 VanDerWaalsContact N-O 3.11Å; G304-V312 CarbonylContact C-O 3.46Å; G304-V312 WeakPolarHBondContact CA-O 3.24Å
305	F	53.4	Low	51	Low	38 Å²	38	70.4 Å²	70.4	17%	0.167	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.7	-174.9	64.2	-87.1	0	0	0	112.7	L292 C294 V312	L292-F305 CarbonylContact O-C 2.89Å; L292-F305 WeakPolarHBondContact O-CA 3.44Å; C294-F305 PolarHBondContact SG-O 3.3Å; C294-F305 VanDerWaalsContact SG-O 3.38Å; F305-V312 HydrophobicContact CD1-CB 4.34Å; F305-V312 HydrophobicContact CD2-CB 4.27Å; F305-V312 HydrophobicContact CD2-CG2 4.45Å; F305-V312 HydrophobicContact CE1-CB 3.95Å; F305-V312 HydrophobicContact CE1-CG1 3.89Å; F305-V312 HydrophobicContact CE2-CB 3.87Å; F305-V312 HydrophobicContact CE2-CG1 4.3Å; F305-V312 HydrophobicContact CE2-CG2 3.93Å; F305-V312 HydrophobicContact CG-CB 4.49Å; F305-V312 HydrophobicContact CZ-CB 3.7Å; F305-V312 HydrophobicContact CZ-CG1 3.66Å; F305-V312 HydrophobicContact CZ-CG2 4.15Å; F305-V312 PolarHBondContact N-O 3.28Å; F305-V312 PolarHBondContact O-N 3.16Å
306	C	51.3	Low	50.3	Low	10 Å²	10	69 Å²	69	7%	0.068	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.4	179.6	-81.1	0	0	0	0	112.4	C280 S290 L292 L310	C280-C306 WeakPolarHBondContact CA-SG 3.11Å; C280-C306 HydrophobicContact CB-CB 3.83Å; C280-C306 WeakPolarHBondContact CB-SG 3.31Å; C280-C306 WeakPolarHBondContact SG-CB 3.47Å; C280-C306 CovalentContact SG-SG 2.03Å; C280-C306 PolarHBondContact SG-SG 2.98Å; S290-C306 CarbonylContact C-O 3.5Å; L292-C306 HydrophobicContact CB-CB 4.09Å; L292-C306 WeakPolarHBondContact O-CB 3.39Å; L292-C306 PolarHBondContact O-N 2.9Å; C306-L310 WeakPolarHBondContact CA-O 3.48Å
307	Y	48.2	Very low	49.7	Very low	18 Å²	18	75.9 Å²	75.9	7%	0.071	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	116	177.7	178.9	-90.7	0	0	0	109.3	H212 K253 I260 N309 L310	H212-Y307 AromaticContact CD2-CE2 3.84Å; H212-Y307 AromaticContact CD2-CZ 3.86Å; H212-Y307 PolarHBondContact CD2-OH 3.32Å; H212-Y307 AromaticContact NE2-CZ 3.83Å; H212-Y307 PolarHBondContact NE2-OH 3.09Å; K253-Y307 PolarHBondContact NZ-OH 3.48Å; K253-Y307 VanDerWaalsContact NZ-OH 3.1Å; I260-Y307 WeakPolarHBondContact CD1-OH 3.38Å; Y307-N309 VanDerWaalsContact C-N 3.27Å; Y307-N309 PolarHBondContact O-N 3.19Å; Y307-L310 PolarHBondContact N-O 2.86Å; Y307-L310 WeakPolarHBondContact O-CA 3.44Å; Y307-L310 VanDerWaalsContact O-CB 3.3Å; Y307-L310 WeakPolarHBondContact O-CB 3.45Å; Y307-L310 PolarHBondContact O-N 2.84Å
308	E	47.7	Very low	48.5	Very low	68 Å²	68	78.3 Å²	78.3	32%	0.318	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	45.7	-179.9	-62.4	-175.2	173.1	0	0	113.5	K253 R264 L310	K253-E308 IonicContact NZ-OE1 2.81Å; K253-E308 PolarHBondContact NZ-OE1 3.22Å; R264-E308 IonicContact CZ-OE2 2.78Å; R264-E308 IonicContact NE-OE2 3.2Å; R264-E308 IonicContact NH2-OE2 2.67Å; R264-E308 PolarHBondContact NH2-OE2 3.48Å; E308-L310 PolarHBondContact O-N 3.46Å
309	N	49.4	Very low	47.4	Very low	134 Å²	134	79.9 Å²	79.9	72%	0.717	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	7.4	-175.2	-54.4	-56.8	0	0	0	116.5	Y307	Y307-N309 VanDerWaalsContact C-N 3.27Å; Y307-N309 PolarHBondContact O-N 3.19Å
310	L	48.2	Very low	47	Very low	54 Å²	54	79.7 Å²	79.7	28%	0.283	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.1	175.3	-60.8	167.2	0	0	0	110	R264 I267 C306 Y307 E308	R264-L310 HydrophobicContact CG-CD1 3.87Å; I267-L310 HydrophobicContact CG2-CB 4.34Å; C306-L310 WeakPolarHBondContact CA-O 3.48Å; Y307-L310 PolarHBondContact N-O 2.86Å; Y307-L310 WeakPolarHBondContact O-CA 3.44Å; Y307-L310 VanDerWaalsContact O-CB 3.3Å; Y307-L310 WeakPolarHBondContact O-CB 3.45Å; Y307-L310 PolarHBondContact O-N 2.84Å; E308-L310 PolarHBondContact O-N 3.46Å
311	C	54.2	Low	46.6	Very low	13 Å²	13	81.7 Å²	81.7	9%	0.088	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124	172.4	-179.6	0	0	0	0	111.3	C294 F303 P313	C294-C311 HydrophobicContact CB-CB 3.69Å; C294-C311 WeakPolarHBondContact CB-SG 3.5Å; C294-C311 WeakPolarHBondContact SG-CA 3.36Å; C294-C311 WeakPolarHBondContact SG-CB 3.24Å; C294-C311 CovalentContact SG-SG 2.02Å; C294-C311 PolarHBondContact SG-SG 3.07Å; F303-C311 PolarHBondContact O-SG 3.45Å; F303-C311 VanDerWaalsContact O-SG 3.39Å; C311-P313 WeakPolarHBondContact O-CD 3.46Å
312	V	51.6	Low	46.4	Very low	17 Å²	17	76.7 Å²	76.7	10%	0.103	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	104.7	174	-171.2	0	0	0	0	108.9	I267 G304 F305	I267-V312 HydrophobicContact CD1-CG2 3.78Å; G304-V312 CarbonylContact C-O 3.46Å; G304-V312 WeakPolarHBondContact CA-O 3.24Å; F305-V312 HydrophobicContact CD1-CB 4.34Å; F305-V312 HydrophobicContact CD2-CB 4.27Å; F305-V312 HydrophobicContact CD2-CG2 4.45Å; F305-V312 HydrophobicContact CE1-CB 3.95Å; F305-V312 HydrophobicContact CE1-CG1 3.89Å; F305-V312 HydrophobicContact CE2-CB 3.87Å; F305-V312 HydrophobicContact CE2-CG1 4.3Å; F305-V312 HydrophobicContact CE2-CG2 3.93Å; F305-V312 HydrophobicContact CG-CB 4.49Å; F305-V312 HydrophobicContact CZ-CB 3.7Å; F305-V312 HydrophobicContact CZ-CG1 3.66Å; F305-V312 HydrophobicContact CZ-CG2 4.15Å; F305-V312 PolarHBondContact N-O 3.28Å; F305-V312 PolarHBondContact O-N 3.16Å
313	P	47.8	Very low	46.2	Very low	67 Å²	67	77.3 Å²	77.3	44%	0.435	43%	0.425	S	S	.	.			trans	-67.7	142.9	177.8	25.6	-31.5	0	0	0	111.2	C311	C311-P313 WeakPolarHBondContact O-CD 3.46Å
314	E	46	Very low	45.7	Very low	113 Å²	113	78.8 Å²	78.8	53%	0.528	44%	0.437	S	S	.	.			trans	-66.9	138	177.8	-156.6	173.9	-157.3	0	0	110.4	G316	E314-G316 PolarHBondContact O-N 3.42Å
315	K	41.9	Very low	45.4	Very low	196 Å²	196	83.5 Å²	83.5	85%	0.852	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	106.3	177.2	-88.1	-174.6	175.2	-179.6	0	108.9
316	G	40.3	Very low	44.8	Very low	70 Å²	70	86.7 Å²	86.7	72%	0.722	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	149.7	-12.4	177.1	0	0	0	0	0	115.8	E314	E314-G316 PolarHBondContact O-N 3.42Å
317	F	38.6	Very low	44.3	Very low	152 Å²	152	92.6 Å²	92.6	67%	0.667	51%	0.513	S	S	*	.			trans	-107.5	11.5	-178.9	-91.3	-85.1	0	0	0	114.7	F303	F303-F317 HydrophobicContact CD1-CG 4.43Å; F303-F317 AromaticContact CE1-CD1 3.83Å; F303-F317 HydrophobicContact CE1-CD1 3.83Å; F303-F317 HydrophobicContact CE1-CE1 4.09Å; F303-F317 HydrophobicContact CE1-CG 4.17Å
318	I	32.9	Very low	44	Very low	120 Å²	120	98.8 Å²	98.8	62%	0.615	55%	0.55	S	S	*	.			trans	-97.6	87.1	169.1	-52.2	173.4	0	0	0	106.6
319	S	29.4	Very low	43.7	Very low	182 Å²	182	101.6 Å²	101.6	100%	1.273	57%	0.571	S	S	*	*			trans	-90.9	0	154.5	56.8	0	0	0	0	108.3

Retrieved 319 of 319 residues in 836.6 ms (Link to these results)

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