A0A077ZD36_TRITR Loading...

NARG2 C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD36, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 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	29.5	Very low	29.6	Very low	237 Å²	237	166.4 Å²	166.4	100%	1.167	86%	0.861	S	S	*	*				0	95.3	0	-84.4	-178.7	-81.6	0	0	106.8
2	V	36.8	Very low	29.2	Very low	144 Å²	144	161.3 Å²	161.3	87%	0.873	85%	0.851	S	S	*	*			trans	-102.2	109.4	169.5	-177.9	0	0	0	0	103.9	E4	V2-E4 PolarHBondContact O-N 2.97Å
3	E	30.6	Very low	29	Very low	184 Å²	184	158.2 Å²	158.2	86%	0.86	83%	0.834	S	S	*	*			trans	-63.7	114.7	-177.4	-72.5	178.9	149.4	0	0	109.4	L5	E3-L5 PolarHBondContact O-N 3.13Å
4	E	33.8	Very low	28.5	Very low	190 Å²	190	151.9 Å²	151.9	89%	0.888	83%	0.825	S	S	*	*			trans	-66.6	110.9	169.2	-69.8	-177.4	164.2	0	0	108.4	V2	V2-E4 PolarHBondContact O-N 2.97Å
5	L	32.4	Very low	28.4	Very low	154 Å²	154	150 Å²	150	81%	0.806	82%	0.82	S	S	*	*			trans	-62.6	125.6	175.8	-78	164.4	0	0	0	109.8	E3 G7	E3-L5 PolarHBondContact O-N 3.13Å; L5-G7 PolarHBondContact O-N 3.02Å
6	P	26.5	Very low	28.2	Very low	129 Å²	129	152.8 Å²	152.8	84%	0.838	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	117.2	-178.2	28.2	-32.2	0	0	0	109.8
7	G	30.3	Very low	28.1	Very low	70 Å²	70	154 Å²	154	72%	0.722	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	150.3	-17.6	167.6	0	0	0	0	0	116.7	L5	L5-G7 PolarHBondContact O-N 3.02Å
8	Y	27.3	Very low	27.9	Very low	216 Å²	216	149.9 Å²	149.9	85%	0.847	82%	0.822	S	S	*	*			trans	-114.2	95.1	-177.8	-70.6	-84.8	0	0	0	110.9	N10	Y8-N10 PolarHBondContact O-N 2.75Å
9	K	26.5	Very low	27.7	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.857	82%	0.821	S	S	*	*			trans	-70.8	114.7	158.4	-105.6	-178.5	174.3	-179.6	0	106.7	I11	K9-I11 PolarHBondContact O-N 3.17Å
10	N	28	Very low	27.8	Very low	155 Å²	155	151.9 Å²	151.9	83%	0.829	82%	0.821	S	S	*	*			trans	-53.2	109.9	163.1	-73.2	-32.7	0	0	0	107.5	Y8 S12	Y8-N10 PolarHBondContact O-N 2.75Å; N10-S12 PolarHBondContact O-N 3.19Å
11	I	23.4	Very low	27.8	Very low	154 Å²	154	148.2 Å²	148.2	79%	0.79	82%	0.818	S	S	*	*			trans	-79.2	87.4	172.7	-58.8	175	0	0	0	105.2	K9 I13	K9-I11 PolarHBondContact O-N 3.17Å; I11-I13 PolarHBondContact O-N 3.19Å
12	S	25.8	Very low	27.6	Very low	106 Å²	106	146.7 Å²	146.7	74%	0.741	81%	0.805	S	S	*	*			trans	-65.2	108.9	160.9	48.2	0	0	0	0	106.9	N10	N10-S12 PolarHBondContact O-N 3.19Å
13	I	25.8	Very low	27.3	Very low	121 Å²	121	148.3 Å²	148.3	62%	0.621	81%	0.808	S	S	*	*			trans	-63	141.8	163.1	-58.6	172	0	0	0	105.2	I11 E185	I11-I13 PolarHBondContact O-N 3.19Å; I13-E185 WeakPolarHBondContact CA-OE2 3.47Å; I13-E185 WeakPolarHBondContact CB-OE2 3.46Å; I13-E185 WeakPolarHBondContact CG2-OE2 3.31Å
14	G	22.5	Very low	27	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	80%	0.803	S	S	*	*			trans	-146	112.2	-174.7	0	0	0	0	0	108.1	E185	G14-E185 PolarHBondContact N-OE1 2.84Å
15	V	27.6	Very low	26.8	Very low	124 Å²	124	140.5 Å²	140.5	75%	0.752	80%	0.801	S	S	*	*			trans	-114.2	129.2	165.4	-177	0	0	0	0	109	E185	V15-E185 PolarHBondContact N-OE1 3.22Å
16	Q	24.5	Very low	26.4	Very low	195 Å²	195	137.8 Å²	137.8	91%	0.911	80%	0.8	S	S	*	*			trans	-69.4	137.9	-172.7	-74	-160.6	-24.6	0	0	113.7
17	K	26.9	Very low	26.4	Very low	173 Å²	173	137 Å²	137	75%	0.752	80%	0.798	S	S	*	*			trans	-57.4	141.5	178.3	-88.2	178.9	168.4	175.1	0	115.1	D184	K17-D184 WeakPolarHBondContact CE-OD2 3.01Å; K17-D184 IonicContact NZ-OD2 3.61Å
18	G	24.3	Very low	26.7	Very low	80 Å²	80	138.9 Å²	138.9	83%	0.825	80%	0.798	S	S	*	*			trans	-120	123.4	152.4	0	0	0	0	0	109.6
19	D	24.6	Very low	26.9	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	80%	0.796	S	S	*	*			trans	-77.9	162.9	-170.7	-165.3	13.1	0	0	0	113.9
20	K	29	Very low	27.2	Very low	190 Å²	190	134 Å²	134	83%	0.826	79%	0.794	S	S	*	*			trans	108.2	118.9	158.5	-58.3	176.5	-176.9	179.5	0	119
21	G	27.1	Very low	27.1	Very low	74 Å²	74	138.5 Å²	138.5	76%	0.763	80%	0.799	S	S	*	*				133.4	89.3	109.5	0	0	0	0	0	118.4
22	K	24.9	Very low	27.3	Very low	206 Å²	206	139.4 Å²	139.4	90%	0.896	80%	0.8	S	S	*	*			trans	-13	132.5	154.2	-64.3	174.4	177	-179.9	0	117.6
23	L	31.7	Very low	27.5	Very low	177 Å²	177	140.6 Å²	140.6	93%	0.927	80%	0.802	S	S	*	*			trans	-149.1	121.6	144.7	-102.2	128.1	0	0	0	112.4
24	S	23.8	Very low	27.5	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	81%	0.813	S	S	*	*			trans	-97.8	144.7	170.3	55	0	0	0	0	110.2
25	A	28.9	Very low	28.2	Very low	103 Å²	103	146 Å²	146	85%	0.851	82%	0.815	S	S	*	*			trans	176.3	113.8	136.9	0	0	0	0	0	113.8
26	A	25	Very low	28.7	Very low	96 Å²	96	145.5 Å²	145.5	79%	0.793	82%	0.816	S	S	*	*			trans	8.2	133.8	145.1	0	0	0	0	0	123.7
27	S	27.2	Very low	29.3	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	81%	0.811	S	S	*	*				146.8	164.7	123.7	-64	0	0	0	0	112.3
28	P	36	Very low	29.7	Very low	110 Å²	110	141.2 Å²	141.2	71%	0.714	82%	0.817	S	S	*	*			cis	-121.7	-173.7	-40.7	41.8	-25.6	0	0	0	111.5
29	P	32.4	Very low	30.6	Very low	125 Å²	125	144.8 Å²	144.8	81%	0.812	81%	0.806	S	S	*	*			trans	-99.3	129.5	-160.9	36.1	-28.2	0	0	0	114.2
30	F	31.4	Very low	31.5	Very low	186 Å²	186	142.3 Å²	142.3	82%	0.816	81%	0.806	S	S	*	*			trans	-100.5	131.5	164.8	-88.8	-88.1	0	0	0	110.6	H32	F30-H32 PolarHBondContact O-CD2 3.17Å; F30-H32 VanDerWaalsContact O-CD2 3.31Å; F30-H32 PolarHBondContact O-N 3.2Å; F30-H32 VanDerWaalsContact O-N 3.12Å
31	R	25.3	Very low	32.7	Very low	249 Å²	249	140.7 Å²	140.7	94%	0.94	80%	0.801	S	S	*	*			trans	-63.6	106.7	179.8	-75.3	177.3	171.8	168.9	-2.9	110.1
32	H	29.3	Very low	34.2	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.796	79%	0.785	S	S	*	*			trans	-75.2	122.6	170.4	-75.8	-88.2	0	0	0	110.3	F30 N34	F30-H32 PolarHBondContact O-CD2 3.17Å; F30-H32 VanDerWaalsContact O-CD2 3.31Å; F30-H32 PolarHBondContact O-N 3.2Å; F30-H32 VanDerWaalsContact O-N 3.12Å; H32-N34 PolarHBondContact O-N 3.07Å
33	V	30.2	Very low	36	Very low	131 Å²	131	134.8 Å²	134.8	79%	0.794	76%	0.759	S	S	*	*			trans	-67.7	116.4	164.1	174.9	0	0	0	0	107	I35	V33-I35 VanDerWaalsContact C-N 3.33Å; V33-I35 PolarHBondContact O-N 2.99Å
34	N	25.3	Very low	37.5	Very low	159 Å²	159	128.9 Å²	128.9	85%	0.85	74%	0.736	S	S	*	*			trans	-67.2	84.4	178.9	-79.1	-31.2	0	0	0	110.9	H32	H32-N34 PolarHBondContact O-N 3.07Å
35	I	36.1	Very low	39.4	Very low	146 Å²	146	131.7 Å²	131.7	75%	0.749	74%	0.737	S	S	*	*			trans	-82.7	117.5	150.5	-59.4	175.7	0	0	0	104.8	V33 G37	V33-I35 VanDerWaalsContact C-N 3.33Å; V33-I35 PolarHBondContact O-N 2.99Å; I35-G37 PolarHBondContact O-N 2.94Å
36	S	39.5	Very low	41.2	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	73%	0.729	S	S	*	*			trans	-27.8	100.8	-177.2	55.8	0	0	0	0	112.9	K38	S36-K38 VanDerWaalsContact C-N 3.33Å; S36-K38 PolarHBondContact O-N 3.1Å
37	G	35.8	Very low	42.9	Very low	78 Å²	78	134.2 Å²	134.2	80%	0.804	71%	0.713	S	S	*	*			trans	-72.9	75.2	-165.6	0	0	0	0	0	114.1	I35	I35-G37 PolarHBondContact O-N 2.94Å
38	K	36.3	Very low	44.3	Very low	201 Å²	201	137.4 Å²	137.4	87%	0.874	72%	0.715	S	S	*	*			trans	-92.4	90.4	144.3	-71	-171	177.5	-173.4	0	106.3	S36 A40	S36-K38 VanDerWaalsContact C-N 3.33Å; S36-K38 PolarHBondContact O-N 3.1Å; K38-A40 PolarHBondContact O-N 2.87Å
39	R	42.6	Very low	45.3	Very low	154 Å²	154	138.9 Å²	138.9	58%	0.581	71%	0.713	S	S	*	*			trans	-51	126.8	156.6	-166.6	176.8	-166.7	-176.1	2	104.4	E41 D193	R39-E41 HydrophobicContact CB-CG 4.16Å; R39-E41 HydrophobicContact CG-CG 4.33Å; R39-E41 PolarHBondContact O-N 3.36Å; R39-D193 IonicContact NH2-OD2 3.93Å
40	A	43.9	Very low	46.6	Very low	98 Å²	98	137.9 Å²	137.9	81%	0.81	71%	0.706	S	S	*	*			trans	-65.3	87.5	169.1	0	0	0	0	0	105.4	K38 E42	K38-A40 PolarHBondContact O-N 2.87Å; A40-E42 PolarHBondContact O-N 2.91Å
41	E	54.6	Low	48	Very low	156 Å²	156	133.3 Å²	133.3	73%	0.729	69%	0.687	S	S	*	*			trans	-77	110.6	173	-72.6	-177.9	175.6	0	0	105.4	R39 N43	R39-E41 HydrophobicContact CB-CG 4.16Å; R39-E41 HydrophobicContact CG-CG 4.33Å; R39-E41 PolarHBondContact O-N 3.36Å; E41-N43 PolarHBondContact O-N 3.34Å; E41-N43 VanDerWaalsContact O-N 3.14Å
42	E	59.2	Low	49.6	Very low	91 Å²	91	127.4 Å²	127.4	43%	0.425	67%	0.672	S	S	.	*			trans	-62.8	113.1	174	-67.5	-177.9	-170.4	0	0	107.7	A40 F47 L189 T191	A40-E42 PolarHBondContact O-N 2.91Å; E42-F47 HydrophobicContact CB-CE2 3.97Å; E42-F47 HydrophobicContact CB-CZ 4.13Å; E42-F47 HydrophobicContact CG-CZ 4.34Å; E42-L189 HydrophobicContact CB-CD2 3.95Å; E42-T191 HydrophobicContact CB-CG2 4.26Å; E42-T191 HydrophobicContact CG-CG2 4.43Å; E42-T191 WeakPolarHBondContact OE2-CB 3.21Å; E42-T191 WeakPolarHBondContact OE2-CG2 3.15Å
43	N	62	Low	50.9	Low	66 Å²	66	125.1 Å²	125.1	35%	0.353	67%	0.673	S	S	.	*			trans	-83	118.7	175.7	179.3	5.1	0	0	0	109	E41 E45 E46 F47	E41-N43 PolarHBondContact O-N 3.34Å; E41-N43 VanDerWaalsContact O-N 3.14Å; N43-E45 PolarHBondContact O-N 3.24Å; N43-E45 VanDerWaalsContact O-N 3.13Å; N43-E45 PolarHBondContact OD1-N 3.31Å; N43-E45 VanDerWaalsContact OD1-N 3.07Å; N43-E46 HydrophobicContact CB-CG 4.01Å; N43-E46 WeakPolarHBondContact O-CB 3.42Å; N43-E46 PolarHBondContact O-N 3.36Å; N43-F47 WeakPolarHBondContact O-CD2 3.46Å; N43-F47 WeakPolarHBondContact O-CE2 3.11Å
44	A	62.1	Low	52.6	Low	52 Å²	52	122.8 Å²	122.8	43%	0.43	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-54.2	-32.4	178.6	0	0	0	0	0	112.9	E46 F47	A44-E46 VanDerWaalsContact C-N 3.25Å; A44-E46 PolarHBondContact O-N 2.96Å; A44-F47 PolarHBondContact O-N 3.12Å; A44-F47 VanDerWaalsContact O-N 3.15Å
45	E	64.6	Low	54.5	Low	168 Å²	168	124 Å²	124	79%	0.785	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-68.6	-20.7	178.9	-59.5	-177.9	161	0	0	113.6	N43 F47	N43-E45 PolarHBondContact O-N 3.24Å; N43-E45 VanDerWaalsContact O-N 3.13Å; N43-E45 PolarHBondContact OD1-N 3.31Å; N43-E45 VanDerWaalsContact OD1-N 3.07Å; E45-F47 VanDerWaalsContact C-N 3.25Å
46	E	67.2	Low	55.9	Low	145 Å²	145	118.4 Å²	118.4	68%	0.678	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-77.7	-13.4	175.3	-68	-179.8	-174	0	0	112.4	N43 A44	N43-E46 HydrophobicContact CB-CG 4.01Å; N43-E46 WeakPolarHBondContact O-CB 3.42Å; N43-E46 PolarHBondContact O-N 3.36Å; A44-E46 VanDerWaalsContact C-N 3.25Å; A44-E46 PolarHBondContact O-N 2.96Å
47	F	59.6	Low	57.4	Low	107 Å²	107	117.5 Å²	117.5	47%	0.469	62%	0.622	S	S	.	*	S	Bend	trans	-95.7	118.2	179.2	-61.4	-89.6	0	0	0	110.4	E42 N43 A44 E45 L189	E42-F47 HydrophobicContact CB-CE2 3.97Å; E42-F47 HydrophobicContact CB-CZ 4.13Å; E42-F47 HydrophobicContact CG-CZ 4.34Å; N43-F47 WeakPolarHBondContact O-CD2 3.46Å; N43-F47 WeakPolarHBondContact O-CE2 3.11Å; A44-F47 PolarHBondContact O-N 3.12Å; A44-F47 VanDerWaalsContact O-N 3.15Å; E45-F47 VanDerWaalsContact C-N 3.25Å; F47-L189 HydrophobicContact CD2-CD1 4.26Å; F47-L189 HydrophobicContact CE2-CD1 4.2Å; F47-L189 HydrophobicContact CE2-CD2 4.48Å
48	H	56.4	Low	59.5	Low	179 Å²	179	115.1 Å²	115.1	83%	0.829	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-72.4	135.4	166.9	-63.2	-53.4	0	0	0	109.9
49	Q	58.7	Low	61.9	Low	141 Å²	141	111.7 Å²	111.7	66%	0.659	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-53.3	140.7	166.4	-71.1	-172.6	3.2	0	0	109.1	E51	Q49-E51 HydrophobicContact CB-CB 4.42Å; Q49-E51 HydrophobicContact CB-CG 4.48Å; Q49-E51 PolarHBondContact O-N 3.2Å
50	P	59.4	Low	64.1	Low	104 Å²	104	105 Å²	105	68%	0.675	55%	0.551	S	S	*	*	S	Bend	trans	-60.6	-3.8	177.2	-20.6	30.8	0	0	0	114.3	M52 Q56	P50-M52 PolarHBondContact O-N 3.13Å; P50-Q56 PolarHBondContact O-NE2 3.03Å; P50-Q56 VanDerWaalsContact O-NE2 3.16Å
51	E	60.1	Low	66.4	Low	90 Å²	90	106.6 Å²	106.6	42%	0.421	55%	0.545	S	S	.	.			trans	-101.5	64.7	-160.4	-52.2	-157.8	-161.3	0	0	111.8	Q49 P53 R72	Q49-E51 HydrophobicContact CB-CB 4.42Å; Q49-E51 HydrophobicContact CB-CG 4.48Å; Q49-E51 PolarHBondContact O-N 3.2Å; E51-P53 VanDerWaalsContact O-CD 3.31Å; E51-P53 WeakPolarHBondContact O-CD 3.42Å; E51-R72 VanDerWaalsContact CD-NH1 3.32Å; E51-R72 IonicContact OE1-CZ 3.62Å; E51-R72 IonicContact OE1-NH1 2.88Å; E51-R72 IonicContact OE1-NH2 2.74Å; E51-R72 PolarHBondContact OE1-NH2 3.49Å; E51-R72 IonicContact OE2-CZ 2.61Å; E51-R72 IonicContact OE2-NH1 3.98Å; E51-R72 PolarHBondContact OE2-NH1 3.33Å; E51-R72 IonicContact OE2-NH2 3.7Å; E51-R72 PolarHBondContact OE2-NH2 2.98Å
52	M	58.8	Low	68.2	Low	125 Å²	125	101.2 Å²	101.2	62%	0.616	52%	0.518	S	S	*	.			trans	-88.6	111.1	158.1	-67.9	-62.1	-68.5	0	0	108	P50 G54 R55	P50-M52 PolarHBondContact O-N 3.13Å; M52-G54 PolarHBondContact O-N 3.36Å; M52-R55 PolarHBondContact O-N 3.15Å
53	P	57.6	Low	69.8	Low	125 Å²	125	101 Å²	101	81%	0.812	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	135.2	174.8	-21.5	31.4	0	0	0	110.4	E51	E51-P53 VanDerWaalsContact O-CD 3.31Å; E51-P53 WeakPolarHBondContact O-CD 3.42Å
54	G	64.8	Low	71.2	Confident	82 Å²	82	99.2 Å²	99.2	85%	0.845	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-9.3	177.7	0	0	0	0	0	116.6	M52	M52-G54 PolarHBondContact O-N 3.36Å
55	R	66.1	Low	72.7	Confident	183 Å²	183	103.5 Å²	103.5	69%	0.691	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-19.9	169.9	-75.7	-165	175.8	-172.1	1.1	114	M52 N74	M52-R55 PolarHBondContact O-N 3.15Å; R55-N74 PolarHBondContact O-OD1 3.43Å
56	Q	65.5	Low	74.1	Confident	29 Å²	29	100.7 Å²	100.7	14%	0.136	52%	0.518	C	S	.	.			trans	-74.3	124.1	-178.8	-68.3	169.5	1.9	0	0	111.5	P50 Y59 N74	P50-Q56 PolarHBondContact O-NE2 3.03Å; P50-Q56 VanDerWaalsContact O-NE2 3.16Å; Q56-Y59 HydrophobicContact CB-CE2 4.44Å; Q56-Y59 PolarHBondContact OE1-OH 2.82Å; Q56-Y59 VanDerWaalsContact OE1-OH 3.05Å; Q56-N74 WeakPolarHBondContact CA-OD1 3.39Å; Q56-N74 WeakPolarHBondContact CG-OD1 3.3Å
57	Q	71.2	Confident	75.4	Confident	94 Å²	94	95.6 Å²	95.6	44%	0.439	49%	0.494	S	S	.	.			trans	-113.9	-19.6	-173.7	-69.7	175.8	-4.9	0	0	113	S73 S75	Q57-S73 PolarHBondContact N-O 3.23Å; Q57-S75 PolarHBondContact OE1-OG 2.7Å
58	C	79.9	Confident	77.1	Confident	27 Å²	27	95.6 Å²	95.6	18%	0.182	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.9	-179.3	-65.9	0	0	0	0	111.4	S73 K92	C58-S73 PolarHBondContact N-O 2.9Å; C58-S73 PolarHBondContact O-N 2.9Å; C58-K92 PolarHBondContact SG-NZ 3.14Å
59	Y	86.1	Confident	78.8	Confident	129 Å²	129	88.5 Å²	88.5	51%	0.506	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.9	172.9	-64.3	-92.8	0	0	0	106.8	Q56 L70 V71 R72	Q56-Y59 HydrophobicContact CB-CE2 4.44Å; Q56-Y59 PolarHBondContact OE1-OH 2.82Å; Q56-Y59 VanDerWaalsContact OE1-OH 3.05Å; Y59-L70 HydrophobicContact CD1-CD1 4.44Å; Y59-V71 WeakPolarHBondContact CA-O 3.43Å; Y59-R72 HydrophobicContact CD1-CG 3.69Å; Y59-R72 HydrophobicContact CE1-CG 3.71Å
60	D	88.3	Confident	80.2	Confident	15 Å²	15	86.8 Å²	86.8	8%	0.08	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.7	176	-73.2	-49.3	0	0	0	110.1	L70 V71 R126	D60-L70 CarbonylContact O-C 3.57Å; D60-L70 WeakPolarHBondContact O-CA 3.41Å; D60-V71 HydrophobicContact CB-CB 4.27Å; D60-V71 PolarHBondContact N-O 3Å; D60-V71 PolarHBondContact O-N 2.88Å; D60-R126 WeakPolarHBondContact OD1-CD 3.15Å; D60-R126 IonicContact OD1-CZ 3.5Å; D60-R126 IonicContact OD1-NE 2.63Å; D60-R126 IonicContact OD1-NH1 3.38Å; D60-R126 PolarHBondContact OD1-NH1 2.88Å; D60-R126 WeakPolarHBondContact OD2-CD 3.36Å; D60-R126 VanDerWaalsContact OD2-CG 3.24Å; D60-R126 WeakPolarHBondContact OD2-CG 3.33Å; D60-R126 IonicContact OD2-NH1 2.65Å
61	L	91.7	Very high	81.6	Confident	130 Å²	130	83.1 Å²	83.1	68%	0.681	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	118.1	172.5	-168.7	69.6	0	0	0	108.8	T68 L69	L61-T68 HydrophobicContact CD1-CG2 3.68Å; L61-T68 HydrophobicContact CG-CG2 4.22Å; L61-L69 WeakPolarHBondContact CA-O 3.35Å
62	W	92.3	Very high	82.8	Confident	43 Å²	43	83.7 Å²	83.7	16%	0.163	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.9	179.3	-66.3	5.6	0	0	0	110.1	T68 L69 V71 F123 L124 F170	W62-T68 CarbonylContact O-C 3.57Å; W62-T68 WeakPolarHBondContact O-CA 3.29Å; W62-L69 HydrophobicContact CB-CB 4.28Å; W62-L69 PolarHBondContact N-O 2.95Å; W62-L69 PolarHBondContact O-N 3.34Å; W62-V71 HydrophobicContact CD2-CG2 3.73Å; W62-V71 HydrophobicContact CE3-CG2 3.9Å; W62-V71 HydrophobicContact CG-CG2 4.12Å; W62-V71 HydrophobicContact CZ2-CG2 4.39Å; W62-V71 HydrophobicContact CZ3-CG2 4.32Å; W62-F123 AromaticContact CH2-CD1 3.81Å; W62-F123 HydrophobicContact CH2-CD1 3.81Å; W62-F123 AromaticContact CH2-CE1 3.33Å; W62-F123 HydrophobicContact CH2-CE1 3.33Å; W62-F123 HydrophobicContact CH2-CZ 4.35Å; W62-F123 HydrophobicContact CZ2-CD1 4.14Å; W62-F123 AromaticContact CZ2-CE1 3.58Å; W62-F123 HydrophobicContact CZ2-CE1 3.58Å; W62-F123 HydrophobicContact CZ2-CZ 4.27Å; W62-F123 HydrophobicContact CZ3-CE1 4.24Å; W62-L124 HydrophobicContact CH2-CD2 3.23Å; W62-L124 HydrophobicContact CH2-CG 4.22Å; W62-L124 HydrophobicContact CZ2-CD2 3.96Å; W62-L124 HydrophobicContact CZ3-CD2 3.85Å; W62-F170 HydrophobicContact CZ3-CE1 4.04Å
63	A	93.5	Very high	84.1	Confident	88 Å²	88	78.4 Å²	78.4	73%	0.727	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.5	166.1	0	0	0	0	0	108	F67	A63-F67 CarbonylContact C-O 3.58Å; A63-F67 WeakPolarHBondContact CA-O 3.16Å
64	L	92.3	Very high	85.3	Confident	28 Å²	28	75.3 Å²	75.3	15%	0.147	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	92.2	175.9	-176.2	62.3	0	0	0	108.9	E66 F67 L69 F170 L173 H174 L177	L64-E66 PolarHBondContact O-N 3.07Å; L64-E66 VanDerWaalsContact O-N 3.13Å; L64-F67 PolarHBondContact N-O 2.74Å; L64-F67 PolarHBondContact O-N 3.25Å; L64-L69 HydrophobicContact CB-CD1 4.21Å; L64-L69 HydrophobicContact CD2-CD1 4.42Å; L64-F170 HydrophobicContact CD1-CD1 4.34Å; L64-L173 HydrophobicContact CD2-CB 4.45Å; L64-L173 HydrophobicContact CD2-CD2 4.1Å; L64-L173 HydrophobicContact CD2-CG 4.05Å; L64-H174 HydrophobicContact CD2-CB 3.96Å; L64-H174 HydrophobicContact CG-CB 4.34Å; L64-L177 HydrophobicContact CD2-CD1 4Å
65	K	92.7	Very high	86.2	Confident	141 Å²	141	72.3 Å²	72.3	61%	0.613	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	-112.3	-173	-58.2	178.4	-176.2	167.8	0	110.7	H174	K65-H174 PolarHBondContact NZ-CE1 3.44Å; K65-H174 PolarHBondContact NZ-ND1 3.3Å; K65-H174 VanDerWaalsContact NZ-ND1 3.11Å
66	E	93.9	Very high	87.3	Confident	110 Å²	110	67 Å²	67	51%	0.514	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-12.4	178.8	64	-89.1	-155.5	0	0	114.6	L64 H174	L64-E66 PolarHBondContact O-N 3.07Å; L64-E66 VanDerWaalsContact O-N 3.13Å; E66-H174 VanDerWaalsContact CD-NE2 3.33Å; E66-H174 IonicContact OE1-CD2 2.83Å; E66-H174 IonicContact OE1-CE1 2.93Å; E66-H174 IonicContact OE1-NE2 3.94Å; E66-H174 PolarHBondContact OE1-NE2 3.18Å; E66-H174 IonicContact OE2-NE2 3.43Å; E66-H174 PolarHBondContact OE2-NE2 2.95Å
67	F	94.7	Very high	88.4	Confident	37 Å²	37	66.7 Å²	66.7	16%	0.162	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.1	-177	-60.3	-71.2	0	0	0	112.2	A63 L64 L69 H174 L177 R178	A63-F67 CarbonylContact C-O 3.58Å; A63-F67 WeakPolarHBondContact CA-O 3.16Å; L64-F67 PolarHBondContact N-O 2.74Å; L64-F67 PolarHBondContact O-N 3.25Å; F67-L69 HydrophobicContact CB-CD2 4.15Å; F67-L69 HydrophobicContact CB-CG 4.36Å; F67-H174 AromaticContact CD2-CD2 3.81Å; F67-H174 AromaticContact CE2-CD2 3.72Å; F67-H174 AromaticContact CE2-NE2 3.77Å; F67-L177 HydrophobicContact CD2-CB 3.95Å; F67-L177 HydrophobicContact CD2-CD1 4.33Å; F67-L177 HydrophobicContact CE1-CB 4.45Å; F67-L177 HydrophobicContact CE2-CB 3.88Å; F67-L177 HydrophobicContact CG-CB 4.28Å; F67-L177 HydrophobicContact CG-CD1 4.45Å; F67-L177 HydrophobicContact CZ-CB 4.16Å; F67-R178 HydrophobicContact CE2-CB 4.44Å; F67-R178 HydrophobicContact CZ-CB 4.32Å
68	T	94.5	Very high	89.3	Confident	107 Å²	107	67.8 Å²	67.8	66%	0.656	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.5	164.9	-56.8	0	0	0	0	108.2	L61 W62	L61-T68 HydrophobicContact CD1-CG2 3.68Å; L61-T68 HydrophobicContact CG-CG2 4.22Å; W62-T68 CarbonylContact O-C 3.57Å; W62-T68 WeakPolarHBondContact O-CA 3.29Å
69	L	92	Very high	89.7	Confident	30 Å²	30	69.4 Å²	69.4	16%	0.157	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.6	-174.2	-54	171.3	0	0	0	109.7	L61 W62 L64 F67 L177	L61-L69 WeakPolarHBondContact CA-O 3.35Å; W62-L69 HydrophobicContact CB-CB 4.28Å; W62-L69 PolarHBondContact N-O 2.95Å; W62-L69 PolarHBondContact O-N 3.34Å; L64-L69 HydrophobicContact CB-CD1 4.21Å; L64-L69 HydrophobicContact CD2-CD1 4.42Å; F67-L69 HydrophobicContact CB-CD2 4.15Å; F67-L69 HydrophobicContact CB-CG 4.36Å; L69-L177 HydrophobicContact CD1-CD1 3.62Å; L69-L177 HydrophobicContact CD2-CD1 3.76Å; L69-L177 HydrophobicContact CD2-CD2 3.82Å; L69-L177 HydrophobicContact CD2-CG 4.45Å; L69-L177 HydrophobicContact CG-CD1 4.25Å
70	L	89.7	Confident	89.9	Confident	106 Å²	106	71.9 Å²	71.9	56%	0.555	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	105.3	164.7	-179.9	64.9	0	0	0	108.6	Y59 D60 R72	Y59-L70 HydrophobicContact CD1-CD1 4.44Å; D60-L70 CarbonylContact O-C 3.57Å; D60-L70 WeakPolarHBondContact O-CA 3.41Å; L70-R72 HydrophobicContact CG-CG 4.29Å
71	V	87.6	Confident	89.8	Confident	26 Å²	26	74.9 Å²	74.9	16%	0.158	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.5	176	-177.2	0	0	0	0	108.8	Y59 D60 W62 L124	Y59-V71 WeakPolarHBondContact CA-O 3.43Å; D60-V71 HydrophobicContact CB-CB 4.27Å; D60-V71 PolarHBondContact N-O 3Å; D60-V71 PolarHBondContact O-N 2.88Å; W62-V71 HydrophobicContact CD2-CG2 3.73Å; W62-V71 HydrophobicContact CE3-CG2 3.9Å; W62-V71 HydrophobicContact CG-CG2 4.12Å; W62-V71 HydrophobicContact CZ2-CG2 4.39Å; W62-V71 HydrophobicContact CZ3-CG2 4.32Å; V71-L124 HydrophobicContact CG1-CD2 4.11Å
72	R	85.6	Confident	89.5	Confident	103 Å²	103	75.1 Å²	75.1	39%	0.389	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.7	175.5	-62.8	-175.6	-74.3	168.2	-2.2	109	E51 Y59 L70	E51-R72 VanDerWaalsContact CD-NH1 3.32Å; E51-R72 IonicContact OE1-CZ 3.62Å; E51-R72 IonicContact OE1-NH1 2.88Å; E51-R72 IonicContact OE1-NH2 2.74Å; E51-R72 PolarHBondContact OE1-NH2 3.49Å; E51-R72 IonicContact OE2-CZ 2.61Å; E51-R72 IonicContact OE2-NH1 3.98Å; E51-R72 PolarHBondContact OE2-NH1 3.33Å; E51-R72 IonicContact OE2-NH2 3.7Å; E51-R72 PolarHBondContact OE2-NH2 2.98Å; Y59-R72 HydrophobicContact CD1-CG 3.69Å; Y59-R72 HydrophobicContact CE1-CG 3.71Å; L70-R72 HydrophobicContact CG-CG 4.29Å
73	S	85.6	Confident	88.9	Confident	13 Å²	13	75.6 Å²	75.6	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.4	-177.2	67.3	0	0	0	0	114.2	Q57 C58 L124 K125	Q57-S73 PolarHBondContact N-O 3.23Å; C58-S73 PolarHBondContact N-O 2.9Å; C58-S73 PolarHBondContact O-N 2.9Å; S73-L124 WeakPolarHBondContact CB-O 3.41Å; S73-L124 PolarHBondContact OG-O 2.88Å; S73-K125 WeakPolarHBondContact OG-CA 3.22Å
74	N	83.9	Confident	88.3	Confident	60 Å²	60	77 Å²	77	32%	0.321	39%	0.387	S	S	.	.			trans	-104.4	143.1	175	-62.3	-11.3	0	0	0	109.8	R55 Q56 K125	R55-N74 PolarHBondContact O-OD1 3.43Å; Q56-N74 WeakPolarHBondContact CA-OD1 3.39Å; Q56-N74 WeakPolarHBondContact CG-OD1 3.3Å; N74-K125 WeakPolarHBondContact O-CD 3.05Å; N74-K125 WeakPolarHBondContact O-CE 3.42Å; N74-K125 WeakPolarHBondContact O-CG 3.27Å
75	S	84.2	Confident	88	Confident	19 Å²	19	80.8 Å²	80.8	13%	0.133	41%	0.412	C	S	.	.			trans	-69.4	153.9	164.5	66	0	0	0	0	110.3	Q57 G77 K92	Q57-S75 PolarHBondContact OE1-OG 2.7Å; S75-G77 VanDerWaalsContact C-N 3.3Å; S75-K92 VanDerWaalsContact CA-CE 3.49Å
76	D	88.3	Confident	87.7	Confident	73 Å²	73	76.2 Å²	76.2	39%	0.39	41%	0.405	S	S	.	.	S	Bend	trans	-79	-24.2	166.3	-63	-40.5	0	0	0	110.6	V93 S94 L95 K125	D76-V93 PolarHBondContact N-O 2.88Å; D76-V93 VanDerWaalsContact N-O 3.17Å; D76-S94 VanDerWaalsContact OD2-CA 3.23Å; D76-S94 WeakPolarHBondContact OD2-CA 3.38Å; D76-L95 HydrophobicContact CB-CB 3.84Å; D76-L95 PolarHBondContact OD2-N 3.28Å; D76-K125 IonicContact OD1-NZ 3.13Å; D76-K125 PolarHBondContact OD1-NZ 3.46Å; D76-K125 IonicContact OD2-NZ 3.64Å; D76-K125 PolarHBondContact OD2-NZ 3.48Å
77	G	88.6	Confident	87.5	Confident	21 Å²	21	76.4 Å²	76.4	22%	0.216	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.2	-164.9	170.6	0	0	0	0	0	112.6	S75 V93	S75-G77 VanDerWaalsContact C-N 3.3Å; G77-V93 VanDerWaalsContact C-CG2 3.5Å; G77-V93 PolarHBondContact N-O 3.25Å; G77-V93 WeakPolarHBondContact O-CG2 3.48Å; G77-V93 PolarHBondContact O-N 3.33Å
78	F	89.6	Confident	87.3	Confident	117 Å²	117	79.3 Å²	79.3	51%	0.513	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.8	174.6	-61.4	-84.5	0	0	0	110.4	T90 C91 K92	F78-T90 HydrophobicContact CB-CG2 3.83Å; F78-T90 HydrophobicContact CD1-CG2 3.97Å; F78-T90 HydrophobicContact CG-CG2 4.2Å; F78-C91 CarbonylContact C-O 3.53Å; F78-C91 VanDerWaalsContact CA-O 3.29Å; F78-C91 WeakPolarHBondContact CA-O 3.49Å; F78-K92 HydrophobicContact CD1-CB 4.43Å; F78-K92 HydrophobicContact CE1-CB 4.33Å
79	M	89.2	Confident	87.1	Confident	61 Å²	61	76.7 Å²	76.7	30%	0.3	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.3	175.1	-175.4	171.9	65.2	0	0	109.1	C91 V93 L129 T147	M79-C91 PolarHBondContact N-O 3.47Å; M79-C91 PolarHBondContact O-N 2.79Å; M79-V93 HydrophobicContact CB-CG1 3.55Å; M79-V93 HydrophobicContact CE-CG1 4.33Å; M79-L129 HydrophobicContact CE-CD1 3.28Å; M79-T147 HydrophobicContact CE-CG2 4.17Å
80	R	90.2	Very high	87	Confident	182 Å²	182	79.7 Å²	79.7	69%	0.687	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.7	170.9	-69	174.5	72.6	171.8	5.8	108.6	E88 E89	R80-E88 IonicContact CZ-OE2 3.85Å; R80-E88 IonicContact NE-OE2 3.25Å; R80-E88 IonicContact NH2-OE2 2.76Å; R80-E88 PolarHBondContact NH2-OE2 2.67Å; R80-E89 WeakPolarHBondContact CA-O 3.22Å
81	R	84.9	Confident	87	Confident	78 Å²	78	74.7 Å²	74.7	29%	0.294	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.9	177.5	-171.8	-178.9	75.8	158.9	4.1	109	D83 E88 E89	R81-D83 IonicContact CZ-OD1 3.68Å; R81-D83 IonicContact NE-OD1 3.03Å; R81-D83 IonicContact NH2-OD1 3.63Å; R81-D83 PolarHBondContact NH2-OD1 2.8Å; R81-E88 CarbonylContact O-C 3.56Å; R81-E88 WeakPolarHBondContact O-CA 3.31Å; R81-E89 HydrophobicContact CB-CG 4.32Å; R81-E89 IonicContact CZ-OE1 2.93Å; R81-E89 PolarHBondContact N-O 3.28Å; R81-E89 IonicContact NE-OE1 3.55Å; R81-E89 PolarHBondContact NE-OE1 3.08Å; R81-E89 IonicContact NH2-OE1 2.77Å; R81-E89 PolarHBondContact NH2-OE1 2.97Å; R81-E89 WeakPolarHBondContact O-CG 3.28Å; R81-E89 PolarHBondContact O-N 3.13Å
82	K	85.4	Confident	87.2	Confident	134 Å²	134	74.1 Å²	74.1	58%	0.583	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.7	166.1	-71.2	-178.4	-179.7	-176.6	0	108.9	I87 E88	K82-I87 WeakPolarHBondContact CA-O 3.39Å; K82-E88 HydrophobicContact CD-CG 4.38Å; K82-E88 WeakPolarHBondContact CE-OE1 3.48Å; K82-E88 HydrophobicContact CG-CG 3.7Å; K82-E88 IonicContact NZ-OE1 3.56Å
83	D	80.3	Confident	87.5	Confident	54 Å²	54	69.9 Å²	69.9	29%	0.289	38%	0.377	S	S	.	.			trans	-71.4	174.3	172	-79.6	-33.7	0	0	0	111.9	R81 T85 G86 I87 E89	R81-D83 IonicContact CZ-OD1 3.68Å; R81-D83 IonicContact NE-OD1 3.03Å; R81-D83 IonicContact NH2-OD1 3.63Å; R81-D83 PolarHBondContact NH2-OD1 2.8Å; D83-T85 PolarHBondContact O-N 2.86Å; D83-G86 WeakPolarHBondContact O-CA 3.35Å; D83-G86 PolarHBondContact O-N 2.87Å; D83-I87 PolarHBondContact N-O 3.03Å; D83-E89 WeakPolarHBondContact OD2-CG 3.44Å
84	A	81.4	Confident	87.9	Confident	117 Å²	117	69.2 Å²	69.2	97%	0.967	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.9	177	0	0	0	0	0	113.4	G86	A84-G86 VanDerWaalsContact C-N 3.31Å
85	T	86.8	Confident	88.3	Confident	107 Å²	107	70.4 Å²	70.4	66%	0.656	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.7	175.1	60.5	0	0	0	0	113.7	D83 I87	D83-T85 PolarHBondContact O-N 2.86Å; T85-I87 VanDerWaalsContact C-N 3.25Å; T85-I87 PolarHBondContact O-N 3.04Å; T85-I87 WeakPolarHBondContact OG1-CG1 3.3Å
86	G	86.4	Confident	88.7	Confident	46 Å²	46	70.2 Å²	70.2	47%	0.474	38%	0.376	S	S	.	.	S	Bend	trans	80.8	-2.2	-175.2	0	0	0	0	0	114.6	D83 A84	D83-G86 WeakPolarHBondContact O-CA 3.35Å; D83-G86 PolarHBondContact O-N 2.87Å; A84-G86 VanDerWaalsContact C-N 3.31Å
87	I	88.2	Confident	89	Confident	114 Å²	114	70.9 Å²	70.9	59%	0.585	38%	0.384	S	S	*	.			trans	-71.9	134.5	176.6	-60.4	173.9	0	0	0	109	K82 D83 T85 E89	K82-I87 WeakPolarHBondContact CA-O 3.39Å; D83-I87 PolarHBondContact N-O 3.03Å; T85-I87 VanDerWaalsContact C-N 3.25Å; T85-I87 PolarHBondContact O-N 3.04Å; T85-I87 WeakPolarHBondContact OG1-CG1 3.3Å; I87-E89 PolarHBondContact O-N 3.3Å
88	E	90.3	Very high	89.1	Confident	97 Å²	97	70 Å²	70	45%	0.453	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119.1	174.1	-72	-173.6	175.7	0	0	110.6	R80 R81 K82	R80-E88 IonicContact CZ-OE2 3.85Å; R80-E88 IonicContact NE-OE2 3.25Å; R80-E88 IonicContact NH2-OE2 2.76Å; R80-E88 PolarHBondContact NH2-OE2 2.67Å; R81-E88 CarbonylContact O-C 3.56Å; R81-E88 WeakPolarHBondContact O-CA 3.31Å; K82-E88 HydrophobicContact CD-CG 4.38Å; K82-E88 WeakPolarHBondContact CE-OE1 3.48Å; K82-E88 HydrophobicContact CG-CG 3.7Å; K82-E88 IonicContact NZ-OE1 3.56Å
89	E	90.1	Very high	89.2	Confident	53 Å²	53	68.6 Å²	68.6	25%	0.248	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149.4	169.7	57	161	-165	0	0	110.6	R80 R81 D83 I87 C91	R80-E89 WeakPolarHBondContact CA-O 3.22Å; R81-E89 HydrophobicContact CB-CG 4.32Å; R81-E89 IonicContact CZ-OE1 2.93Å; R81-E89 PolarHBondContact N-O 3.28Å; R81-E89 IonicContact NE-OE1 3.55Å; R81-E89 PolarHBondContact NE-OE1 3.08Å; R81-E89 IonicContact NH2-OE1 2.77Å; R81-E89 PolarHBondContact NH2-OE1 2.97Å; R81-E89 WeakPolarHBondContact O-CG 3.28Å; R81-E89 PolarHBondContact O-N 3.13Å; D83-E89 WeakPolarHBondContact OD2-CG 3.44Å; I87-E89 PolarHBondContact O-N 3.3Å; E89-C91 PolarHBondContact OE1-SG 2.61Å
90	T	90.1	Very high	89.3	Confident	93 Å²	93	65.7 Å²	65.7	57%	0.571	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.1	171	-60.6	0	0	0	0	108.3	F78	F78-T90 HydrophobicContact CB-CG2 3.83Å; F78-T90 HydrophobicContact CD1-CG2 3.97Å; F78-T90 HydrophobicContact CG-CG2 4.2Å
91	C	90.2	Very high	89.3	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.007	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	134.3	-178.6	-54.4	0	0	0	0	110.2	F78 M79 E89 N128 L129	F78-C91 CarbonylContact C-O 3.53Å; F78-C91 VanDerWaalsContact CA-O 3.29Å; F78-C91 WeakPolarHBondContact CA-O 3.49Å; M79-C91 PolarHBondContact N-O 3.47Å; M79-C91 PolarHBondContact O-N 2.79Å; E89-C91 PolarHBondContact OE1-SG 2.61Å; C91-N128 HydrophobicContact CB-CB 4.02Å; C91-L129 HydrophobicContact CB-CD1 3.88Å; C91-L129 HydrophobicContact CB-CG 4.4Å
92	K	91.7	Very high	89.4	Confident	14 Å²	14	57.8 Å²	57.8	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.7	165.5	-176.2	172.9	164.6	163.4	0	109.2	C58 S75 F78 K125 C127 N128 L129	C58-K92 PolarHBondContact SG-NZ 3.14Å; S75-K92 VanDerWaalsContact CA-CE 3.49Å; F78-K92 HydrophobicContact CD1-CB 4.43Å; F78-K92 HydrophobicContact CE1-CB 4.33Å; K92-K125 WeakPolarHBondContact CE-O 3.4Å; K92-K125 PolarHBondContact NZ-O 2.95Å; K92-C127 HydrophobicContact CG-CB 4.38Å; K92-C127 CarbonylContact O-C 3.55Å; K92-N128 WeakPolarHBondContact CB-OD1 3.33Å; K92-N128 PolarHBondContact N-OD1 2.77Å; K92-N128 PolarHBondContact O-N 2.61Å; K92-L129 PolarHBondContact O-N 3.17Å
93	V	92.4	Very high	89.6	Confident	13 Å²	13	51.7 Å²	51.7	8%	0.079	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	145.6	-177.4	-56.7	0	0	0	0	112.7	D76 G77 M79 C127 L129 V131	D76-V93 PolarHBondContact N-O 2.88Å; D76-V93 VanDerWaalsContact N-O 3.17Å; G77-V93 VanDerWaalsContact C-CG2 3.5Å; G77-V93 PolarHBondContact N-O 3.25Å; G77-V93 WeakPolarHBondContact O-CG2 3.48Å; G77-V93 PolarHBondContact O-N 3.33Å; M79-V93 HydrophobicContact CB-CG1 3.55Å; M79-V93 HydrophobicContact CE-CG1 4.33Å; V93-C127 PolarHBondContact O-SG 3.11Å; V93-C127 VanDerWaalsContact O-SG 3.37Å; V93-L129 WeakPolarHBondContact CA-O 3.49Å; V93-L129 HydrophobicContact CG1-CB 4.21Å; V93-V131 HydrophobicContact CB-CG2 4.02Å; V93-V131 HydrophobicContact CG1-CG2 4.12Å
94	S	93	Very high	89.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	145	161.5	59.2	0	0	0	0	109.2	D76 C127 L129 H130 V131	D76-S94 VanDerWaalsContact OD2-CA 3.23Å; D76-S94 WeakPolarHBondContact OD2-CA 3.38Å; S94-C127 PolarHBondContact N-SG 3.48Å; S94-L129 PolarHBondContact N-O 3.39Å; S94-L129 PolarHBondContact OG-O 3.4Å; S94-H130 WeakPolarHBondContact OG-CA 3.31Å; S94-H130 WeakPolarHBondContact OG-CB 3.24Å; S94-H130 PolarHBondContact OG-ND1 2.74Å; S94-V131 PolarHBondContact O-N 3.3Å
95	L	92.8	Very high	90.2	Very high	84 Å²	84	50.9 Å²	50.9	44%	0.44	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.9	-174.5	-170.5	72.2	0	0	0	110.6	D76 V131 V133	D76-L95 HydrophobicContact CB-CB 3.84Å; D76-L95 PolarHBondContact OD2-N 3.28Å; L95-V131 WeakPolarHBondContact CA-O 3.31Å; L95-V131 HydrophobicContact CD1-CB 4.05Å; L95-V131 HydrophobicContact CD1-CG1 3.99Å; L95-V133 HydrophobicContact CD1-CG2 3.61Å
96	M	93.4	Very high	90.4	Very high	15 Å²	15	45.8 Å²	45.8	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	123.4	169.2	-175.9	172.3	69.9	0	0	111.1	L110 E114 S118 V131 T132 V133	M96-L110 HydrophobicContact CE-CD1 4.49Å; M96-L110 HydrophobicContact CE-CD2 3.94Å; M96-E114 HydrophobicContact CE-CB 4.27Å; M96-E114 HydrophobicContact SD-CB 4.49Å; M96-S118 WeakPolarHBondContact CE-OG 3.48Å; M96-S118 PolarHBondContact SD-OG 3.43Å; M96-V131 PolarHBondContact N-O 3.08Å; M96-T132 HydrophobicContact CE-CG2 4.45Å; M96-T132 CarbonylContact O-C 3.6Å; M96-T132 VanDerWaalsContact O-CA 3.31Å; M96-T132 WeakPolarHBondContact O-CA 3.43Å; M96-V133 PolarHBondContact O-N 3.34Å
97	P	93.3	Very high	90.7	Very high	87 Å²	87	43.6 Å²	43.6	57%	0.565	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	140.5	166.6	31.1	-32.7	0	0	0	110.2	V133 L135	P97-V133 CarbonylContact C-O 3.58Å; P97-V133 WeakPolarHBondContact CA-O 3.16Å; P97-L135 HydrophobicContact CB-CD1 4.04Å
98	K	92.2	Very high	90.9	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.7	171.9	173.4	67.3	-175.1	-176.5	0	108.2	E100 L110 E114 T132 V133 R134 L135	K98-E100 VanDerWaalsContact CG-OE1 3.27Å; K98-E100 WeakPolarHBondContact CG-OE1 3.16Å; K98-L110 HydrophobicContact CD-CD2 4.08Å; K98-L110 HydrophobicContact CG-CD2 4.37Å; K98-E114 IonicContact NZ-OE1 3.66Å; K98-E114 PolarHBondContact NZ-OE1 3.48Å; K98-E114 IonicContact NZ-OE2 2.95Å; K98-E114 PolarHBondContact NZ-OE2 2.74Å; K98-T132 HydrophobicContact CB-CG2 3.7Å; K98-V133 PolarHBondContact N-O 2.83Å; K98-R134 HydrophobicContact CB-CG 4.27Å; K98-R134 HydrophobicContact CG-CG 4.43Å; K98-R134 CarbonylContact O-C 3.59Å; K98-R134 VanDerWaalsContact O-CA 3.32Å; K98-R134 WeakPolarHBondContact O-CA 3.47Å; K98-L135 PolarHBondContact O-N 2.83Å
99	I	91.1	Very high	90.9	Very high	86 Å²	86	34 Å²	34	44%	0.441	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.9	176.7	-60.4	173.3	0	0	0	108.2	F101	I99-F101 HydrophobicContact CB-CE2 4.4Å; I99-F101 HydrophobicContact CG2-CD2 4.47Å; I99-F101 HydrophobicContact CG2-CE1 4.2Å; I99-F101 HydrophobicContact CG2-CE2 4.01Å; I99-F101 HydrophobicContact CG2-CZ 3.87Å
100	E	90.7	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.4	172.2	-55.1	-52.9	140.5	0	0	110	K98 P103 G107 E108 R134 L135 Y137 I143 L244	K98-E100 VanDerWaalsContact CG-OE1 3.27Å; K98-E100 WeakPolarHBondContact CG-OE1 3.16Å; E100-P103 HydrophobicContact CB-CB 4.3Å; E100-G107 WeakPolarHBondContact OE2-CA 3.49Å; E100-E108 WeakPolarHBondContact OE2-CB 3.39Å; E100-E108 PolarHBondContact OE2-N 2.84Å; E100-R134 VanDerWaalsContact CD-NH1 3.35Å; E100-R134 HydrophobicContact CG-CB 4.04Å; E100-R134 WeakPolarHBondContact OE1-CD 3.43Å; E100-R134 VanDerWaalsContact OE1-CG 3.27Å; E100-R134 WeakPolarHBondContact OE1-CG 3.32Å; E100-R134 IonicContact OE1-CZ 2.87Å; E100-R134 IonicContact OE1-NE 3.67Å; E100-R134 IonicContact OE1-NH1 3.99Å; E100-R134 PolarHBondContact OE1-NH1 3.44Å; E100-R134 IonicContact OE2-NH1 3.61Å; E100-R134 PolarHBondContact OE2-NH1 3.38Å; E100-L135 PolarHBondContact N-O 2.78Å; E100-Y137 WeakPolarHBondContact O-CB 3.18Å; E100-Y137 WeakPolarHBondContact O-CD1 3.2Å; E100-Y137 PolarHBondContact O-N 3.49Å; E100-I143 HydrophobicContact CB-CD1 3.95Å; E100-I143 HydrophobicContact CG-CD1 3.77Å; E100-I143 HydrophobicContact CG-CG1 4.48Å; E100-L244 HydrophobicContact CG-CD1 4.48Å
101	F	89.5	Confident	90.5	Very high	77 Å²	77	29.9 Å²	29.9	34%	0.338	15%	0.15	S	C	.	.	S	Bend	trans	-90.4	-19.5	173.8	-63.9	-82.8	0	0	0	112.5	I99 E108 Y137	I99-F101 HydrophobicContact CB-CE2 4.4Å; I99-F101 HydrophobicContact CG2-CD2 4.47Å; I99-F101 HydrophobicContact CG2-CE1 4.2Å; I99-F101 HydrophobicContact CG2-CE2 4.01Å; I99-F101 HydrophobicContact CG2-CZ 3.87Å; F101-E108 PolarHBondContact N-OE1 3.16Å; F101-Y137 HydrophobicContact CD1-CD2 4.29Å; F101-Y137 HydrophobicContact CD1-CG 4.13Å
102	Q	88	Confident	90.1	Very high	18 Å²	18	30.6 Å²	30.6	8%	0.084	16%	0.156	C	C	.	.			trans	-128.3	49.2	-175.6	-57.9	173	62.2	0	0	114.1	E104 H105 G106 W235 L236 I238	Q102-E104 PolarHBondContact O-N 3.45Å; Q102-E104 VanDerWaalsContact O-N 3.08Å; Q102-H105 PolarHBondContact O-N 3.37Å; Q102-G106 PolarHBondContact O-N 2.84Å; Q102-W235 HydrophobicContact CG-CD2 4.36Å; Q102-W235 HydrophobicContact CG-CE3 3.49Å; Q102-W235 VanDerWaalsContact CG-CE3 3.49Å; Q102-W235 HydrophobicContact CG-CH2 4.12Å; Q102-W235 HydrophobicContact CG-CZ3 3.32Å; Q102-L236 PolarHBondContact NE2-O 2.93Å; Q102-I238 HydrophobicContact CB-CD1 4.26Å
103	P	89.2	Confident	89.5	Confident	6 Å²	6	32.5 Å²	32.5	4%	0.039	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.8	-171.2	27.7	-36.4	0	0	0	114.5	E100 H105 H136 I143 L244	E100-P103 HydrophobicContact CB-CB 4.3Å; P103-H105 VanDerWaalsContact C-N 3.3Å; P103-H136 VanDerWaalsContact CG-CD2 3.48Å; P103-H136 WeakPolarHBondContact CG-CD2 3.47Å; P103-I143 HydrophobicContact CB-CD1 3.5Å; P103-I143 HydrophobicContact CG-CD1 4.46Å; P103-L244 HydrophobicContact CB-CD1 4.25Å
104	E	86.2	Confident	89.2	Confident	71 Å²	71	34 Å²	34	33%	0.332	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.4	174.5	68.8	-71.9	164.3	0	0	114.2	Q102 W246	Q102-E104 PolarHBondContact O-N 3.45Å; Q102-E104 VanDerWaalsContact O-N 3.08Å; E104-W246 HydrophobicContact CB-CH2 4.26Å; E104-W246 HydrophobicContact CB-CZ2 3.63Å; E104-W246 WeakPolarHBondContact O-CH2 3.39Å; E104-W246 WeakPolarHBondContact O-CZ2 3.4Å; E104-W246 WeakPolarHBondContact O-CZ3 3.28Å
105	H	89	Confident	88.9	Confident	83 Å²	83	34 Å²	34	38%	0.384	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-25.7	178.7	-63.3	101.4	0	0	0	112.4	Q102 P103 I238 A255	Q102-H105 PolarHBondContact O-N 3.37Å; P103-H105 VanDerWaalsContact C-N 3.3Å; H105-I238 HydrophobicContact CB-CD1 4.05Å; H105-I238 HydrophobicContact CB-CG1 4.06Å; H105-A255 PolarHBondContact O-N 3.39Å
106	G	90.8	Very high	88.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.			trans	150.6	-178.2	-174.2	0	0	0	0	0	112.2	Q102 L244 H247	Q102-G106 PolarHBondContact O-N 2.84Å; G106-L244 WeakPolarHBondContact O-CD1 3.18Å; G106-H247 WeakPolarHBondContact CA-CE1 3.37Å; G106-H247 PolarHBondContact N-CE1 3.07Å; G106-H247 PolarHBondContact N-NE2 2.93Å
107	G	92.1	Very high	88.4	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137	166.6	0	0	0	0	0	110.5	E100 D239	E100-G107 WeakPolarHBondContact OE2-CA 3.49Å; G107-D239 PolarHBondContact O-N 3.14Å
108	E	92.2	Very high	88.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	148.7	175	-68.8	177.4	176.4	0	0	111.3	E100 F101 R134 L236 I238	E100-E108 WeakPolarHBondContact OE2-CB 3.39Å; E100-E108 PolarHBondContact OE2-N 2.84Å; F101-E108 PolarHBondContact N-OE1 3.16Å; E108-R134 PolarHBondContact O-NH1 3.46Å; E108-R134 PolarHBondContact O-NH2 3.11Å; E108-L236 HydrophobicContact CB-CB 3.9Å; E108-L236 HydrophobicContact CB-CD1 4.26Å; E108-L236 HydrophobicContact CG-CB 3.99Å; E108-I238 HydrophobicContact CG-CD1 4.4Å
109	V	90.7	Very high	88.2	Confident	8 Å²	8	32.4 Å²	32.4	5%	0.048	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-63.7	146.3	169	178.3	0	0	0	0	109.6	R111 I158 Y159 R237 D239	V109-R111 PolarHBondContact O-N 2.99Å; V109-I158 HydrophobicContact CB-CD1 4.4Å; V109-I158 HydrophobicContact CG1-CD1 3.62Å; V109-I158 HydrophobicContact CG1-CG1 3.93Å; V109-I158 HydrophobicContact CG2-CD1 4.12Å; V109-Y159 HydrophobicContact CG1-CE2 4.32Å; V109-R237 HydrophobicContact CG2-CB 4.36Å; V109-R237 WeakPolarHBondContact CG2-O 3.38Å; V109-R237 PolarHBondContact N-O 3.31Å; V109-D239 HydrophobicContact CG2-CB 3.81Å
110	L	88.2	Confident	88.1	Confident	13 Å²	13	30.7 Å²	30.7	7%	0.068	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-67.7	129	170.8	-64.9	178.8	0	0	0	110.1	M96 K98 E114 L115 T132 Y159	M96-L110 HydrophobicContact CE-CD1 4.49Å; M96-L110 HydrophobicContact CE-CD2 3.94Å; K98-L110 HydrophobicContact CD-CD2 4.08Å; K98-L110 HydrophobicContact CG-CD2 4.37Å; L110-E114 WeakPolarHBondContact CA-OE2 3.43Å; L110-E114 HydrophobicContact CB-CB 4.43Å; L110-L115 HydrophobicContact CD1-CD1 4.24Å; L110-T132 HydrophobicContact CD2-CG2 4.44Å; L110-Y159 VanDerWaalsContact O-CE2 3.23Å; L110-Y159 WeakPolarHBondContact O-CE2 3.46Å; L110-Y159 PolarHBondContact O-OH 3.18Å
111	R	84.2	Confident	88.1	Confident	48 Å²	48	34.3 Å²	34.3	18%	0.181	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-60	158.4	171.4	-64.3	-171.1	174.1	94.8	1.6	110.5	V109 E113 E114 L115 D233 L236	V109-R111 PolarHBondContact O-N 2.99Å; R111-E113 PolarHBondContact O-N 3.42Å; R111-E114 HydrophobicContact CB-CB 4.45Å; R111-E114 HydrophobicContact CB-CG 4.1Å; R111-E114 PolarHBondContact N-OE2 3.05Å; R111-E114 IonicContact NH1-OE1 3.76Å; R111-E114 PolarHBondContact O-N 3.33Å; R111-E114 VanDerWaalsContact O-N 3.16Å; R111-L115 WeakPolarHBondContact O-CB 3.47Å; R111-L115 PolarHBondContact O-N 3.23Å; R111-D233 PolarHBondContact NH2-O 3.45Å; R111-D233 VanDerWaalsContact NH2-O 3.12Å; R111-L236 HydrophobicContact CG-CD1 3.66Å; R111-L236 HydrophobicContact CG-CD2 3.75Å; R111-L236 HydrophobicContact CG-CG 4.34Å
112	A	81.1	Confident	88.2	Confident	16 Å²	16	30.9 Å²	30.9	13%	0.132	14%	0.144	C	C	.	.	H	α-helix	trans	-56.1	-37	177.5	0	0	0	0	0	112.2	R116 Y159	A112-R116 WeakPolarHBondContact O-CB 3.43Å; A112-R116 WeakPolarHBondContact O-CG 3.42Å; A112-R116 PolarHBondContact O-N 2.86Å; A112-Y159 HydrophobicContact CB-CD2 4.21Å; A112-Y159 HydrophobicContact CB-CG 4.44Å
113	E	78.9	Confident	88.3	Confident	54 Å²	54	34 Å²	34	25%	0.252	16%	0.158	S	C	.	.	H	α-helix	trans	-70.2	-43.5	178.2	-61.4	72.4	-155.4	0	0	112.3	R111 L115 R116 T117 I226	R111-E113 PolarHBondContact O-N 3.42Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 2.96Å; E113-R116 PolarHBondContact O-N 2.87Å; E113-T117 VanDerWaalsContact O-CB 3.32Å; E113-T117 WeakPolarHBondContact O-CB 3.46Å; E113-T117 PolarHBondContact O-N 2.76Å; E113-T117 PolarHBondContact O-OG1 2.81Å; E113-I226 HydrophobicContact CG-CG1 4.4Å; E113-I226 HydrophobicContact CG-CG2 4.3Å
114	E	87	Confident	88.2	Confident	43 Å²	43	36.6 Å²	36.6	20%	0.201	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-43.7	176.9	-66.1	172.3	157.8	0	0	109.9	M96 K98 L110 R111 T117 S118	M96-E114 HydrophobicContact CE-CB 4.27Å; M96-E114 HydrophobicContact SD-CB 4.49Å; K98-E114 IonicContact NZ-OE1 3.66Å; K98-E114 PolarHBondContact NZ-OE1 3.48Å; K98-E114 IonicContact NZ-OE2 2.95Å; K98-E114 PolarHBondContact NZ-OE2 2.74Å; L110-E114 WeakPolarHBondContact CA-OE2 3.43Å; L110-E114 HydrophobicContact CB-CB 4.43Å; R111-E114 HydrophobicContact CB-CB 4.45Å; R111-E114 HydrophobicContact CB-CG 4.1Å; R111-E114 PolarHBondContact N-OE2 3.05Å; R111-E114 IonicContact NH1-OE1 3.76Å; R111-E114 PolarHBondContact O-N 3.33Å; R111-E114 VanDerWaalsContact O-N 3.16Å; E114-T117 PolarHBondContact O-N 2.77Å; E114-S118 VanDerWaalsContact O-CB 3.24Å; E114-S118 WeakPolarHBondContact O-CB 3.38Å; E114-S118 PolarHBondContact O-N 2.97Å; E114-S118 PolarHBondContact O-OG 3.38Å
115	L	86.9	Confident	88.4	Confident	2 Å²	2	35 Å²	35	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-63.1	-49.4	177.3	-172.6	73.2	0	0	0	111.6	L110 R111 E113 T117 S118 Y119 F153 K156 D157	L110-L115 HydrophobicContact CD1-CD1 4.24Å; R111-L115 WeakPolarHBondContact O-CB 3.47Å; R111-L115 PolarHBondContact O-N 3.23Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 2.96Å; L115-T117 PolarHBondContact O-N 2.82Å; L115-S118 PolarHBondContact O-N 3.13Å; L115-Y119 WeakPolarHBondContact O-CB 3.47Å; L115-Y119 PolarHBondContact O-N 2.89Å; L115-F153 HydrophobicContact CD1-CD1 4.24Å; L115-F153 HydrophobicContact CD1-CE1 3.37Å; L115-F153 HydrophobicContact CD1-CZ 3.61Å; L115-F153 HydrophobicContact CG-CE1 3.84Å; L115-F153 HydrophobicContact CG-CZ 4.34Å; L115-F153 VanDerWaalsContact O-CE1 3.31Å; L115-F153 WeakPolarHBondContact O-CE1 3.45Å; L115-F153 WeakPolarHBondContact O-CZ 3.34Å; L115-K156 HydrophobicContact CD1-CB 3.85Å; L115-D157 VanDerWaalsContact CD2-CA 3.46Å; L115-D157 HydrophobicContact CD2-CB 3.54Å
116	R	86.7	Confident	88.3	Confident	53 Å²	53	38.4 Å²	38.4	20%	0.2	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-46	177.4	-74.2	171.6	-165.1	163.8	9.9	111.8	A112 E113 S118 Y119 W120 W165 I224	A112-R116 WeakPolarHBondContact O-CB 3.43Å; A112-R116 WeakPolarHBondContact O-CG 3.42Å; A112-R116 PolarHBondContact O-N 2.86Å; E113-R116 PolarHBondContact O-N 2.87Å; R116-S118 VanDerWaalsContact C-N 3.3Å; R116-S118 PolarHBondContact O-N 2.95Å; R116-Y119 PolarHBondContact O-N 3.48Å; R116-W120 PolarHBondContact O-N 3.43Å; R116-W165 HydrophobicContact CB-CE3 4.5Å; R116-W165 HydrophobicContact CG-CB 4.47Å; R116-W165 HydrophobicContact CG-CD2 3.81Å; R116-W165 HydrophobicContact CG-CE3 3.7Å; R116-W165 HydrophobicContact CG-CG 4.16Å; R116-W165 HydrophobicContact CG-CZ3 4.2Å; R116-I224 VanDerWaalsContact NH2-CD1 3.33Å
117	T	88.4	Confident	88.3	Confident	67 Å²	67	38.7 Å²	38.7	41%	0.411	17%	0.174	S	C	.	.	H	α-helix	trans	-60.2	-44.9	179.3	-60	0	0	0	0	110.6	E113 E114 L115 W120 K121	E113-T117 VanDerWaalsContact O-CB 3.32Å; E113-T117 WeakPolarHBondContact O-CB 3.46Å; E113-T117 PolarHBondContact O-N 2.76Å; E113-T117 PolarHBondContact O-OG1 2.81Å; E114-T117 PolarHBondContact O-N 2.77Å; L115-T117 PolarHBondContact O-N 2.82Å; T117-W120 PolarHBondContact O-N 2.81Å; T117-K121 HydrophobicContact CG2-CD 4.2Å; T117-K121 WeakPolarHBondContact O-CB 3.15Å; T117-K121 VanDerWaalsContact O-CG 3.31Å; T117-K121 WeakPolarHBondContact O-CG 3.47Å; T117-K121 PolarHBondContact O-N 2.88Å
118	S	91.4	Very high	88.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-43.4	177.8	-66.6	0	0	0	0	112.6	M96 E114 L115 R116 K121 L122 H130	M96-S118 WeakPolarHBondContact CE-OG 3.48Å; M96-S118 PolarHBondContact SD-OG 3.43Å; E114-S118 VanDerWaalsContact O-CB 3.24Å; E114-S118 WeakPolarHBondContact O-CB 3.38Å; E114-S118 PolarHBondContact O-N 2.97Å; E114-S118 PolarHBondContact O-OG 3.38Å; L115-S118 PolarHBondContact O-N 3.13Å; R116-S118 VanDerWaalsContact C-N 3.3Å; R116-S118 PolarHBondContact O-N 2.95Å; S118-K121 PolarHBondContact O-N 3.25Å; S118-L122 VanDerWaalsContact O-CB 3.24Å; S118-L122 WeakPolarHBondContact O-CB 3.22Å; S118-L122 PolarHBondContact O-N 3.39Å; S118-H130 VanDerWaalsContact CB-CE1 3.47Å; S118-H130 WeakPolarHBondContact CB-CE1 3.39Å; S118-H130 PolarHBondContact OG-CE1 2.93Å; S118-H130 PolarHBondContact OG-NE2 2.89Å
119	Y	90.5	Very high	88.3	Confident	36 Å²	36	42.8 Å²	42.8	14%	0.141	20%	0.196	C	C	.	.	H	α-helix	trans	-57.6	-52.6	174.8	178.8	-94.7	0	0	0	111.1	L115 R116 K121 L122 F123 F153 L154 W165 V166	L115-Y119 WeakPolarHBondContact O-CB 3.47Å; L115-Y119 PolarHBondContact O-N 2.89Å; R116-Y119 PolarHBondContact O-N 3.48Å; Y119-K121 VanDerWaalsContact C-N 3.35Å; Y119-K121 PolarHBondContact O-N 3.4Å; Y119-L122 PolarHBondContact O-N 2.7Å; Y119-F123 HydrophobicContact CE1-CB 4.49Å; Y119-F123 VanDerWaalsContact O-CB 3.25Å; Y119-F123 WeakPolarHBondContact O-CB 3.46Å; Y119-F123 PolarHBondContact O-N 3.2Å; Y119-F153 AromaticContact CD2-CD1 3.71Å; Y119-F153 HydrophobicContact CD2-CD1 3.71Å; Y119-F153 HydrophobicContact CD2-CE1 4.3Å; Y119-F153 HydrophobicContact CD2-CG 4.4Å; Y119-F153 HydrophobicContact CG-CD1 4.3Å; Y119-F153 HydrophobicContact CG-CE1 4.45Å; Y119-L154 HydrophobicContact CD2-CD2 3.94Å; Y119-L154 HydrophobicContact CE2-CD2 3.7Å; Y119-L154 HydrophobicContact CE2-CG 4.21Å; Y119-W165 AromaticContact CD1-CH2 3.88Å; Y119-W165 HydrophobicContact CD1-CH2 3.88Å; Y119-W165 AromaticContact CD1-CZ3 3.52Å; Y119-W165 HydrophobicContact CD1-CZ3 3.52Å; Y119-W165 AromaticContact CD2-CH2 3.92Å; Y119-W165 HydrophobicContact CD2-CH2 3.92Å; Y119-W165 HydrophobicContact CD2-CZ3 4.42Å; Y119-W165 HydrophobicContact CE1-CH2 4.43Å; Y119-W165 HydrophobicContact CE1-CZ3 4.09Å; Y119-W165 HydrophobicContact CE2-CH2 4.46Å; Y119-W165 AromaticContact CG-CH2 3.57Å; Y119-W165 HydrophobicContact CG-CH2 3.57Å; Y119-W165 AromaticContact CG-CZ3 3.69Å; Y119-W165 HydrophobicContact CG-CZ3 3.69Å; Y119-V166 HydrophobicContact CE1-CG1 4.18Å; Y119-V166 HydrophobicContact CE1-CG2 4.12Å
120	W	89.4	Confident	88.4	Confident	50 Å²	50	42.4 Å²	42.4	19%	0.189	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-39.8	-179.4	-77	114.5	0	0	0	112	R116 T117 F123 L124 F170	R116-W120 PolarHBondContact O-N 3.43Å; T117-W120 PolarHBondContact O-N 2.81Å; W120-F123 HydrophobicContact CE3-CD1 4.05Å; W120-F123 AromaticContact CZ3-CD1 3.9Å; W120-F123 HydrophobicContact CZ3-CD1 3.9Å; W120-F123 HydrophobicContact CZ3-CE1 4.19Å; W120-F123 PolarHBondContact O-N 2.89Å; W120-L124 HydrophobicContact CB-CD1 4.29Å; W120-L124 HydrophobicContact CE3-CD1 4.34Å; W120-L124 HydrophobicContact CE3-CG 4.36Å; W120-L124 WeakPolarHBondContact O-CB 3.37Å; W120-L124 WeakPolarHBondContact O-CD1 3.43Å; W120-L124 VanDerWaalsContact O-CG 3.31Å; W120-L124 WeakPolarHBondContact O-CG 3.46Å; W120-L124 PolarHBondContact O-N 3.5Å; W120-F170 HydrophobicContact CH2-CD1 4.24Å; W120-F170 AromaticContact CH2-CD2 3.75Å; W120-F170 HydrophobicContact CH2-CD2 3.75Å; W120-F170 HydrophobicContact CH2-CE1 4.09Å; W120-F170 AromaticContact CH2-CE2 3.59Å; W120-F170 HydrophobicContact CH2-CE2 3.59Å; W120-F170 HydrophobicContact CH2-CG 4.08Å; W120-F170 AromaticContact CH2-CZ 3.77Å; W120-F170 HydrophobicContact CH2-CZ 3.77Å; W120-F170 HydrophobicContact CZ3-CE1 4.19Å; W120-F170 HydrophobicContact CZ3-CE2 4.15Å; W120-F170 AromaticContact CZ3-CZ 3.9Å; W120-F170 HydrophobicContact CZ3-CZ 3.9Å
121	K	89.8	Confident	88.7	Confident	76 Å²	76	42.4 Å²	42.4	33%	0.33	19%	0.194	S	C	.	.	H	α-helix	trans	-59.6	-49.2	173.3	-80	179.6	176.7	-177.8	0	111.6	T117 S118 Y119 F123 K125	T117-K121 HydrophobicContact CG2-CD 4.2Å; T117-K121 WeakPolarHBondContact O-CB 3.15Å; T117-K121 VanDerWaalsContact O-CG 3.31Å; T117-K121 WeakPolarHBondContact O-CG 3.47Å; T117-K121 PolarHBondContact O-N 2.88Å; S118-K121 PolarHBondContact O-N 3.25Å; Y119-K121 VanDerWaalsContact C-N 3.35Å; Y119-K121 PolarHBondContact O-N 3.4Å; K121-F123 VanDerWaalsContact C-N 3.35Å; K121-F123 PolarHBondContact O-N 3.11Å; K121-K125 WeakPolarHBondContact O-CB 3.24Å; K121-K125 WeakPolarHBondContact O-CG 3.23Å; K121-K125 PolarHBondContact O-N 2.75Å; K121-K125 VanDerWaalsContact O-N 3.08Å
122	L	91	Very high	89.2	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-45.7	179.3	-176.8	64.8	0	0	0	111.2	S118 Y119 R126 C127 H130 P150 F153	S118-L122 VanDerWaalsContact O-CB 3.24Å; S118-L122 WeakPolarHBondContact O-CB 3.22Å; S118-L122 PolarHBondContact O-N 3.39Å; Y119-L122 PolarHBondContact O-N 2.7Å; L122-R126 PolarHBondContact O-N 2.63Å; L122-R126 VanDerWaalsContact O-N 3.16Å; L122-C127 HydrophobicContact CD1-CB 3.61Å; L122-C127 WeakPolarHBondContact CD1-O 3.2Å; L122-C127 PolarHBondContact O-N 3.49Å; L122-H130 HydrophobicContact CD1-CB 3.85Å; L122-H130 HydrophobicContact CD2-CB 4.08Å; L122-H130 HydrophobicContact CG-CB 4.4Å; L122-P150 HydrophobicContact CD1-CG 4.02Å; L122-P150 HydrophobicContact CD2-CB 3.97Å; L122-P150 HydrophobicContact CD2-CG 3.88Å; L122-P150 HydrophobicContact CG-CB 4.39Å; L122-P150 HydrophobicContact CG-CG 4Å; L122-F153 HydrophobicContact CD2-CB 4.22Å; L122-F153 HydrophobicContact CD2-CD2 3.69Å; L122-F153 HydrophobicContact CD2-CE2 4.47Å; L122-F153 HydrophobicContact CD2-CG 4.09Å
123	F	89.9	Confident	89.9	Confident	83 Å²	83	41.1 Å²	41.1	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-68.6	-55.2	-178.4	-177.2	-105.2	0	0	0	112.7	W62 Y119 W120 K121 K125 R126 F170	W62-F123 AromaticContact CH2-CD1 3.81Å; W62-F123 HydrophobicContact CH2-CD1 3.81Å; W62-F123 AromaticContact CH2-CE1 3.33Å; W62-F123 HydrophobicContact CH2-CE1 3.33Å; W62-F123 HydrophobicContact CH2-CZ 4.35Å; W62-F123 HydrophobicContact CZ2-CD1 4.14Å; W62-F123 AromaticContact CZ2-CE1 3.58Å; W62-F123 HydrophobicContact CZ2-CE1 3.58Å; W62-F123 HydrophobicContact CZ2-CZ 4.27Å; W62-F123 HydrophobicContact CZ3-CE1 4.24Å; Y119-F123 HydrophobicContact CE1-CB 4.49Å; Y119-F123 VanDerWaalsContact O-CB 3.25Å; Y119-F123 WeakPolarHBondContact O-CB 3.46Å; Y119-F123 PolarHBondContact O-N 3.2Å; W120-F123 HydrophobicContact CE3-CD1 4.05Å; W120-F123 AromaticContact CZ3-CD1 3.9Å; W120-F123 HydrophobicContact CZ3-CD1 3.9Å; W120-F123 HydrophobicContact CZ3-CE1 4.19Å; W120-F123 PolarHBondContact O-N 2.89Å; K121-F123 VanDerWaalsContact C-N 3.35Å; K121-F123 PolarHBondContact O-N 3.11Å; F123-K125 VanDerWaalsContact C-N 3.28Å; F123-K125 PolarHBondContact O-N 3.06Å; F123-R126 PolarHBondContact O-N 3.22Å; F123-F170 HydrophobicContact CE1-CE1 4.48Å; F123-F170 AromaticContact CE1-CZ 3.76Å; F123-F170 HydrophobicContact CE1-CZ 3.76Å; F123-F170 HydrophobicContact CZ-CZ 4.1Å
124	L	88.9	Confident	90.6	Very high	60 Å²	60	38.6 Å²	38.6	31%	0.314	18%	0.178	S	C	.	.	H	α-helix	trans	-65	-31.4	-178.2	-73.3	163	0	0	0	112.8	W62 V71 S73 W120	W62-L124 HydrophobicContact CH2-CD2 3.23Å; W62-L124 HydrophobicContact CH2-CG 4.22Å; W62-L124 HydrophobicContact CZ2-CD2 3.96Å; W62-L124 HydrophobicContact CZ3-CD2 3.85Å; V71-L124 HydrophobicContact CG1-CD2 4.11Å; S73-L124 WeakPolarHBondContact CB-O 3.41Å; S73-L124 PolarHBondContact OG-O 2.88Å; W120-L124 HydrophobicContact CB-CD1 4.29Å; W120-L124 HydrophobicContact CE3-CD1 4.34Å; W120-L124 HydrophobicContact CE3-CG 4.36Å; W120-L124 WeakPolarHBondContact O-CB 3.37Å; W120-L124 WeakPolarHBondContact O-CD1 3.43Å; W120-L124 VanDerWaalsContact O-CG 3.31Å; W120-L124 WeakPolarHBondContact O-CG 3.46Å; W120-L124 PolarHBondContact O-N 3.5Å
125	K	88.5	Confident	90.8	Very high	38 Å²	38	39.1 Å²	39.1	17%	0.165	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-10	176.3	-62.4	177.1	174.7	-175.6	0	112.3	S73 N74 D76 K92 K121 F123 C127	S73-K125 WeakPolarHBondContact OG-CA 3.22Å; N74-K125 WeakPolarHBondContact O-CD 3.05Å; N74-K125 WeakPolarHBondContact O-CE 3.42Å; N74-K125 WeakPolarHBondContact O-CG 3.27Å; D76-K125 IonicContact OD1-NZ 3.13Å; D76-K125 PolarHBondContact OD1-NZ 3.46Å; D76-K125 IonicContact OD2-NZ 3.64Å; D76-K125 PolarHBondContact OD2-NZ 3.48Å; K92-K125 WeakPolarHBondContact CE-O 3.4Å; K92-K125 PolarHBondContact NZ-O 2.95Å; K121-K125 WeakPolarHBondContact O-CB 3.24Å; K121-K125 WeakPolarHBondContact O-CG 3.23Å; K121-K125 PolarHBondContact O-N 2.75Å; K121-K125 VanDerWaalsContact O-N 3.08Å; F123-K125 VanDerWaalsContact C-N 3.28Å; F123-K125 PolarHBondContact O-N 3.06Å; K125-C127 WeakPolarHBondContact CB-SG 3.36Å; K125-C127 PolarHBondContact O-N 3.02Å
126	R	88.4	Confident	91	Very high	154 Å²	154	40.7 Å²	40.7	58%	0.581	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	45.4	-168.5	-51.1	-156.6	97.4	138.1	1	113	D60 L122 F123	D60-R126 WeakPolarHBondContact OD1-CD 3.15Å; D60-R126 IonicContact OD1-CZ 3.5Å; D60-R126 IonicContact OD1-NE 2.63Å; D60-R126 IonicContact OD1-NH1 3.38Å; D60-R126 PolarHBondContact OD1-NH1 2.88Å; D60-R126 WeakPolarHBondContact OD2-CD 3.36Å; D60-R126 VanDerWaalsContact OD2-CG 3.24Å; D60-R126 WeakPolarHBondContact OD2-CG 3.33Å; D60-R126 IonicContact OD2-NH1 2.65Å; L122-R126 PolarHBondContact O-N 2.63Å; L122-R126 VanDerWaalsContact O-N 3.16Å; F123-R126 PolarHBondContact O-N 3.22Å
127	C	90.6	Very high	91	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.041	20%	0.2	C	C	.	.			trans	-74.5	144.7	175.1	-64.5	0	0	0	0	109.7	K92 V93 S94 L122 K125 L129 P150	K92-C127 HydrophobicContact CG-CB 4.38Å; K92-C127 CarbonylContact O-C 3.55Å; V93-C127 PolarHBondContact O-SG 3.11Å; V93-C127 VanDerWaalsContact O-SG 3.37Å; S94-C127 PolarHBondContact N-SG 3.48Å; L122-C127 HydrophobicContact CD1-CB 3.61Å; L122-C127 WeakPolarHBondContact CD1-O 3.2Å; L122-C127 PolarHBondContact O-N 3.49Å; K125-C127 WeakPolarHBondContact CB-SG 3.36Å; K125-C127 PolarHBondContact O-N 3.02Å; C127-L129 VanDerWaalsContact C-N 3.31Å; C127-P150 WeakPolarHBondContact O-CG 3.37Å
128	N	91.5	Very high	90.9	Very high	83 Å²	83	45.7 Å²	45.7	44%	0.444	21%	0.209	S	C	.	.	S	Bend	trans	-77.6	-24.4	173.8	-55.5	97.3	0	0	0	111.5	C91 K92 P150	C91-N128 HydrophobicContact CB-CB 4.02Å; K92-N128 WeakPolarHBondContact CB-OD1 3.33Å; K92-N128 PolarHBondContact N-OD1 2.77Å; K92-N128 PolarHBondContact O-N 2.61Å; N128-P150 WeakPolarHBondContact O-CD 3.31Å
129	L	92.2	Very high	90.6	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.3	-178.2	-65.2	169.1	0	0	0	110.7	M79 C91 K92 V93 S94 C127 Q149	M79-L129 HydrophobicContact CE-CD1 3.28Å; C91-L129 HydrophobicContact CB-CD1 3.88Å; C91-L129 HydrophobicContact CB-CG 4.4Å; K92-L129 PolarHBondContact O-N 3.17Å; V93-L129 WeakPolarHBondContact CA-O 3.49Å; V93-L129 HydrophobicContact CG1-CB 4.21Å; S94-L129 PolarHBondContact N-O 3.39Å; S94-L129 PolarHBondContact OG-O 3.4Å; C127-L129 VanDerWaalsContact C-N 3.31Å; L129-Q149 HydrophobicContact CD2-CG 3.54Å
130	H	94	Very high	90.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.2	165.6	-178.2	79.8	0	0	0	109.2	S94 S118 L122 T132 T147 I148 F153	S94-H130 WeakPolarHBondContact OG-CA 3.31Å; S94-H130 WeakPolarHBondContact OG-CB 3.24Å; S94-H130 PolarHBondContact OG-ND1 2.74Å; S118-H130 VanDerWaalsContact CB-CE1 3.47Å; S118-H130 WeakPolarHBondContact CB-CE1 3.39Å; S118-H130 PolarHBondContact OG-CE1 2.93Å; S118-H130 PolarHBondContact OG-NE2 2.89Å; L122-H130 HydrophobicContact CD1-CB 3.85Å; L122-H130 HydrophobicContact CD2-CB 4.08Å; L122-H130 HydrophobicContact CG-CB 4.4Å; H130-T132 PolarHBondContact CD2-OG1 2.99Å; H130-T132 PolarHBondContact NE2-OG1 3.5Å; H130-T147 CarbonylContact O-C 3.57Å; H130-T147 WeakPolarHBondContact O-CA 3.2Å; H130-I148 HydrophobicContact CB-CG2 3.68Å; H130-I148 PolarHBondContact N-O 3.45Å; H130-I148 PolarHBondContact O-N 2.66Å; H130-F153 HydrophobicContact CB-CD2 4.45Å; H130-F153 HydrophobicContact CB-CE2 4.33Å; H130-F153 AromaticContact CD2-CE2 3.94Å
131	V	94	Very high	90	Very high	13 Å²	13	59 Å²	59	8%	0.079	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.7	-176.8	-176.3	0	0	0	0	108.3	V93 S94 L95 M96 V133 V145 E146 T147	V93-V131 HydrophobicContact CB-CG2 4.02Å; V93-V131 HydrophobicContact CG1-CG2 4.12Å; S94-V131 PolarHBondContact O-N 3.3Å; L95-V131 WeakPolarHBondContact CA-O 3.31Å; L95-V131 HydrophobicContact CD1-CB 4.05Å; L95-V131 HydrophobicContact CD1-CG1 3.99Å; M96-V131 PolarHBondContact N-O 3.08Å; V131-V133 HydrophobicContact CG1-CG2 4.26Å; V131-V145 HydrophobicContact CG1-CG1 3.59Å; V131-E146 CarbonylContact C-O 3.55Å; V131-E146 VanDerWaalsContact CA-O 3.31Å; V131-E146 WeakPolarHBondContact CA-O 3.47Å; V131-T147 HydrophobicContact CG2-CG2 4.31Å
132	T	94.5	Very high	90.1	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.025	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114	173.7	-54.2	0	0	0	0	108.7	M96 K98 L110 H130 R134 V145 E146	M96-T132 HydrophobicContact CE-CG2 4.45Å; M96-T132 CarbonylContact O-C 3.6Å; M96-T132 VanDerWaalsContact O-CA 3.31Å; M96-T132 WeakPolarHBondContact O-CA 3.43Å; K98-T132 HydrophobicContact CB-CG2 3.7Å; L110-T132 HydrophobicContact CD2-CG2 4.44Å; H130-T132 PolarHBondContact CD2-OG1 2.99Å; H130-T132 PolarHBondContact NE2-OG1 3.5Å; T132-R134 HydrophobicContact CG2-CG 4.39Å; T132-V145 WeakPolarHBondContact O-CA 3.37Å; T132-E146 PolarHBondContact N-O 3.34Å; T132-E146 PolarHBondContact O-N 3.49Å
133	V	94.6	Very high	90.1	Very high	32 Å²	32	59.5 Å²	59.5	19%	0.194	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113.1	175.9	-178.8	0	0	0	0	108.2	L95 M96 P97 K98 V131 L135 A142	L95-V133 HydrophobicContact CD1-CG2 3.61Å; M96-V133 PolarHBondContact O-N 3.34Å; P97-V133 CarbonylContact C-O 3.58Å; P97-V133 WeakPolarHBondContact CA-O 3.16Å; K98-V133 PolarHBondContact N-O 2.83Å; V131-V133 HydrophobicContact CG1-CG2 4.26Å; V133-L135 HydrophobicContact CG1-CD2 3.85Å; V133-L135 HydrophobicContact CG1-CG 4.4Å; V133-A142 HydrophobicContact CG1-CB 3.93Å
134	R	94	Very high	90.2	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.1	179.6	-66.8	-172	177.5	-102.6	11.3	110	K98 E100 E108 T132 A142 I143 G144 E146 L244	K98-R134 HydrophobicContact CB-CG 4.27Å; K98-R134 HydrophobicContact CG-CG 4.43Å; K98-R134 CarbonylContact O-C 3.59Å; K98-R134 VanDerWaalsContact O-CA 3.32Å; K98-R134 WeakPolarHBondContact O-CA 3.47Å; E100-R134 VanDerWaalsContact CD-NH1 3.35Å; E100-R134 HydrophobicContact CG-CB 4.04Å; E100-R134 WeakPolarHBondContact OE1-CD 3.43Å; E100-R134 VanDerWaalsContact OE1-CG 3.27Å; E100-R134 WeakPolarHBondContact OE1-CG 3.32Å; E100-R134 IonicContact OE1-CZ 2.87Å; E100-R134 IonicContact OE1-NE 3.67Å; E100-R134 IonicContact OE1-NH1 3.99Å; E100-R134 PolarHBondContact OE1-NH1 3.44Å; E100-R134 IonicContact OE2-NH1 3.61Å; E100-R134 PolarHBondContact OE2-NH1 3.38Å; E108-R134 PolarHBondContact O-NH1 3.46Å; E108-R134 PolarHBondContact O-NH2 3.11Å; T132-R134 HydrophobicContact CG2-CG 4.39Å; R134-A142 CarbonylContact O-C 3.57Å; R134-A142 WeakPolarHBondContact O-CA 3.45Å; R134-I143 HydrophobicContact CB-CG1 4.37Å; R134-I143 VanDerWaalsContact O-CG1 3.31Å; R134-I143 WeakPolarHBondContact O-CG1 3.45Å; R134-I143 PolarHBondContact O-N 3.33Å; R134-G144 PolarHBondContact N-O 3.44Å; R134-G144 PolarHBondContact O-N 2.9Å; R134-E146 IonicContact CZ-OE1 3.45Å; R134-E146 IonicContact NE-OE1 3.58Å; R134-E146 PolarHBondContact NE-OE1 3.22Å; R134-E146 IonicContact NH2-OE1 2.63Å; R134-E146 PolarHBondContact NH2-OE1 3.46Å; R134-L244 HydrophobicContact CB-CD2 4.25Å
135	L	92.5	Very high	90.4	Very high	53 Å²	53	57.9 Å²	57.9	28%	0.277	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.5	-175.2	-59.7	177	0	0	0	109.7	P97 K98 E100 V133 Q141 A142	P97-L135 HydrophobicContact CB-CD1 4.04Å; K98-L135 PolarHBondContact O-N 2.83Å; E100-L135 PolarHBondContact N-O 2.78Å; V133-L135 HydrophobicContact CG1-CD2 3.85Å; V133-L135 HydrophobicContact CG1-CG 4.4Å; L135-Q141 WeakPolarHBondContact CA-O 3.38Å; L135-A142 HydrophobicContact CD2-CB 4Å
136	H	90.9	Very high	90.6	Very high	35 Å²	35	57.9 Å²	57.9	16%	0.162	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	128.1	172	-172	-60.9	0	0	0	110.2	P103 L138 L139 Q141 I143	P103-H136 VanDerWaalsContact CG-CD2 3.48Å; P103-H136 WeakPolarHBondContact CG-CD2 3.47Å; H136-L138 VanDerWaalsContact C-N 3.29Å; H136-L138 PolarHBondContact ND1-N 3.4Å; H136-L138 VanDerWaalsContact ND1-N 3.11Å; H136-L138 PolarHBondContact O-N 3.16Å; H136-L138 VanDerWaalsContact O-N 3.14Å; H136-L139 HydrophobicContact CB-CB 4.05Å; H136-L139 PolarHBondContact ND1-N 3.46Å; H136-L139 PolarHBondContact O-N 2.9Å; H136-Q141 PolarHBondContact N-O 3.23Å; H136-I143 HydrophobicContact CB-CD1 4.1Å; H136-I143 HydrophobicContact CB-CG2 3.87Å
137	Y	86.3	Confident	90.8	Very high	110 Å²	110	54.5 Å²	54.5	43%	0.431	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.1	-175	77.8	-74.4	0	0	0	115.7	E100 F101	E100-Y137 WeakPolarHBondContact O-CB 3.18Å; E100-Y137 WeakPolarHBondContact O-CD1 3.2Å; E100-Y137 PolarHBondContact O-N 3.49Å; F101-Y137 HydrophobicContact CD1-CD2 4.29Å; F101-Y137 HydrophobicContact CD1-CG 4.13Å
138	L	87	Confident	90.8	Very high	115 Å²	115	55.1 Å²	55.1	60%	0.602	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-29.8	176.8	-63.8	175.1	0	0	0	116.7	H136	H136-L138 VanDerWaalsContact C-N 3.29Å; H136-L138 PolarHBondContact ND1-N 3.4Å; H136-L138 VanDerWaalsContact ND1-N 3.11Å; H136-L138 PolarHBondContact O-N 3.16Å; H136-L138 VanDerWaalsContact O-N 3.14Å
139	L	83.5	Confident	90.7	Very high	94 Å²	94	54.4 Å²	54.4	49%	0.492	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-3.6	-162.2	-63.9	176.6	0	0	0	113.1	H136 Q141	H136-L139 HydrophobicContact CB-CB 4.05Å; H136-L139 PolarHBondContact ND1-N 3.46Å; H136-L139 PolarHBondContact O-N 2.9Å; L139-Q141 HydrophobicContact CB-CB 4.2Å; L139-Q141 HydrophobicContact CB-CG 4.44Å; L139-Q141 WeakPolarHBondContact O-CG 3.38Å; L139-Q141 PolarHBondContact O-N 3.49Å
140	D	80	Confident	90.5	Very high	151 Å²	151	57.1 Å²	57.1	81%	0.807	31%	0.311	S	S	*	.			trans	47.5	29.4	-171.8	-69.5	-20.6	0	0	0	113.2
141	Q	87.6	Confident	90.1	Very high	121 Å²	121	61.3 Å²	61.3	57%	0.565	34%	0.341	S	S	*	.			trans	-116.3	139.8	-176.2	-79.9	174.2	11.1	0	0	110.6	L135 H136 L139 I143	L135-Q141 WeakPolarHBondContact CA-O 3.38Å; H136-Q141 PolarHBondContact N-O 3.23Å; L139-Q141 HydrophobicContact CB-CB 4.2Å; L139-Q141 HydrophobicContact CB-CG 4.44Å; L139-Q141 WeakPolarHBondContact O-CG 3.38Å; L139-Q141 PolarHBondContact O-N 3.49Å; Q141-I143 PolarHBondContact O-N 2.93Å
142	A	91.5	Very high	89.8	Confident	66 Å²	66	64.3 Å²	64.3	55%	0.545	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	123.2	168.8	0	0	0	0	0	110.2	V133 R134 L135	V133-A142 HydrophobicContact CG1-CB 3.93Å; R134-A142 CarbonylContact O-C 3.57Å; R134-A142 WeakPolarHBondContact O-CA 3.45Å; L135-A142 HydrophobicContact CD2-CB 4Å
143	I	92.5	Very high	89.4	Confident	26 Å²	26	64.2 Å²	64.2	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-7.4	-178.7	54	172.9	0	0	0	112.6	E100 P103 R134 H136 Q141 L244 Q245	E100-I143 HydrophobicContact CB-CD1 3.95Å; E100-I143 HydrophobicContact CG-CD1 3.77Å; E100-I143 HydrophobicContact CG-CG1 4.48Å; P103-I143 HydrophobicContact CB-CD1 3.5Å; P103-I143 HydrophobicContact CG-CD1 4.46Å; R134-I143 HydrophobicContact CB-CG1 4.37Å; R134-I143 VanDerWaalsContact O-CG1 3.31Å; R134-I143 WeakPolarHBondContact O-CG1 3.45Å; R134-I143 PolarHBondContact O-N 3.33Å; H136-I143 HydrophobicContact CB-CD1 4.1Å; H136-I143 HydrophobicContact CB-CG2 3.87Å; Q141-I143 PolarHBondContact O-N 2.93Å; I143-L244 HydrophobicContact CD1-CD1 4.11Å; I143-Q245 VanDerWaalsContact O-CB 3.28Å; I143-Q245 WeakPolarHBondContact O-CB 3.29Å; I143-Q245 PolarHBondContact O-N 3.3Å
144	G	92.3	Very high	88.8	Confident	15 Å²	15	65.3 Å²	65.3	16%	0.155	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	154.6	174.6	0	0	0	0	0	111.5	R134	R134-G144 PolarHBondContact N-O 3.44Å; R134-G144 PolarHBondContact O-N 2.9Å
145	V	93.1	Very high	88.3	Confident	93 Å²	93	69.8 Å²	69.8	56%	0.564	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.8	120.4	171.1	-177.2	0	0	0	0	107.1	V131 T132	V131-V145 HydrophobicContact CG1-CG1 3.59Å; T132-V145 WeakPolarHBondContact O-CA 3.37Å
146	E	91.8	Very high	87.7	Confident	38 Å²	38	69.7 Å²	69.7	18%	0.178	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	140.4	171.8	-78.1	-179.9	-122.4	0	0	110	V131 T132 R134 K156 V242	V131-E146 CarbonylContact C-O 3.55Å; V131-E146 VanDerWaalsContact CA-O 3.31Å; V131-E146 WeakPolarHBondContact CA-O 3.47Å; T132-E146 PolarHBondContact N-O 3.34Å; T132-E146 PolarHBondContact O-N 3.49Å; R134-E146 IonicContact CZ-OE1 3.45Å; R134-E146 IonicContact NE-OE1 3.58Å; R134-E146 PolarHBondContact NE-OE1 3.22Å; R134-E146 IonicContact NH2-OE1 2.63Å; R134-E146 PolarHBondContact NH2-OE1 3.46Å; E146-K156 IonicContact OE2-NZ 3.89Å; E146-K156 PolarHBondContact OE2-NZ 3.02Å; E146-V242 WeakPolarHBondContact OE1-CG1 3.39Å; E146-V242 WeakPolarHBondContact OE1-CG2 2.83Å
147	T	91.7	Very high	87	Confident	83 Å²	83	68.7 Å²	68.7	51%	0.509	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.8	171.5	60.7	0	0	0	0	109	M79 H130 V131	M79-T147 HydrophobicContact CE-CG2 4.17Å; H130-T147 CarbonylContact O-C 3.57Å; H130-T147 WeakPolarHBondContact O-CA 3.2Å; V131-T147 HydrophobicContact CG2-CG2 4.31Å
148	I	91.3	Very high	86.3	Confident	20 Å²	20	68.1 Å²	68.1	10%	0.103	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.2	177	-171.2	161.7	0	0	0	111	H130 D152 F153 K156	H130-I148 HydrophobicContact CB-CG2 3.68Å; H130-I148 PolarHBondContact N-O 3.45Å; H130-I148 PolarHBondContact O-N 2.66Å; I148-D152 HydrophobicContact CD1-CB 4.49Å; I148-D152 HydrophobicContact CG1-CB 4.13Å; I148-F153 HydrophobicContact CD1-CD2 4.41Å; I148-F153 HydrophobicContact CG2-CD2 3.68Å; I148-F153 HydrophobicContact CG2-CE2 3.98Å; I148-K156 HydrophobicContact CD1-CB 4.37Å; I148-K156 HydrophobicContact CD1-CD 4.2Å; I148-K156 HydrophobicContact CD1-CG 3.26Å
149	Q	90.4	Very high	85.3	Confident	68 Å²	68	68.3 Å²	68.3	32%	0.318	38%	0.382	S	S	.	.			trans	-82.1	150.7	174.5	-74.2	-174.8	-26.1	0	0	111.2	L129 S151 D152 F153	L129-Q149 HydrophobicContact CD2-CG 3.54Å; Q149-S151 PolarHBondContact O-N 3.12Å; Q149-D152 PolarHBondContact O-N 3.07Å; Q149-F153 PolarHBondContact O-N 3.38Å
150	P	87.3	Confident	84.6	Confident	60 Å²	60	65.3 Å²	65.3	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-54.3	-35.6	175.5	-26	30.8	0	0	0	114.3	L122 C127 N128 D152 F153	L122-P150 HydrophobicContact CD1-CG 4.02Å; L122-P150 HydrophobicContact CD2-CB 3.97Å; L122-P150 HydrophobicContact CD2-CG 3.88Å; L122-P150 HydrophobicContact CG-CB 4.39Å; L122-P150 HydrophobicContact CG-CG 4Å; C127-P150 WeakPolarHBondContact O-CG 3.37Å; N128-P150 WeakPolarHBondContact O-CD 3.31Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.2Å; P150-F153 PolarHBondContact O-N 2.99Å
151	S	86.1	Confident	84	Confident	88 Å²	88	63.5 Å²	63.5	62%	0.615	37%	0.368	S	S	*	.	H	α-helix	trans	-61	-37	176.2	52.4	0	0	0	0	112.5	Q149	Q149-S151 PolarHBondContact O-N 3.12Å
152	D	87.5	Confident	83.3	Confident	76 Å²	76	68.3 Å²	68.3	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-95.3	-11	-172.1	-52.9	-20.4	0	0	0	111.1	I148 Q149 P150 L154 S155	I148-D152 HydrophobicContact CD1-CB 4.49Å; I148-D152 HydrophobicContact CG1-CB 4.13Å; Q149-D152 PolarHBondContact O-N 3.07Å; P150-D152 VanDerWaalsContact C-N 3.26Å; P150-D152 PolarHBondContact O-N 3.2Å; D152-L154 VanDerWaalsContact C-N 3.31Å; D152-L154 PolarHBondContact O-N 3.4Å; D152-S155 VanDerWaalsContact O-CB 3.28Å; D152-S155 WeakPolarHBondContact O-CB 3.44Å; D152-S155 PolarHBondContact O-N 2.74Å; D152-S155 PolarHBondContact O-OG 2.92Å
153	F	84.6	Confident	82.6	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.013	36%	0.364	C	S	.	.	H	α-helix	trans	-57	-43.9	-172.5	-164.1	-81.2	0	0	0	112.7	L115 Y119 L122 H130 I148 Q149 P150 S155 K156	L115-F153 HydrophobicContact CD1-CD1 4.24Å; L115-F153 HydrophobicContact CD1-CE1 3.37Å; L115-F153 HydrophobicContact CD1-CZ 3.61Å; L115-F153 HydrophobicContact CG-CE1 3.84Å; L115-F153 HydrophobicContact CG-CZ 4.34Å; L115-F153 VanDerWaalsContact O-CE1 3.31Å; L115-F153 WeakPolarHBondContact O-CE1 3.45Å; L115-F153 WeakPolarHBondContact O-CZ 3.34Å; Y119-F153 AromaticContact CD2-CD1 3.71Å; Y119-F153 HydrophobicContact CD2-CD1 3.71Å; Y119-F153 HydrophobicContact CD2-CE1 4.3Å; Y119-F153 HydrophobicContact CD2-CG 4.4Å; Y119-F153 HydrophobicContact CG-CD1 4.3Å; Y119-F153 HydrophobicContact CG-CE1 4.45Å; L122-F153 HydrophobicContact CD2-CB 4.22Å; L122-F153 HydrophobicContact CD2-CD2 3.69Å; L122-F153 HydrophobicContact CD2-CE2 4.47Å; L122-F153 HydrophobicContact CD2-CG 4.09Å; H130-F153 HydrophobicContact CB-CD2 4.45Å; H130-F153 HydrophobicContact CB-CE2 4.33Å; H130-F153 AromaticContact CD2-CE2 3.94Å; I148-F153 HydrophobicContact CD1-CD2 4.41Å; I148-F153 HydrophobicContact CG2-CD2 3.68Å; I148-F153 HydrophobicContact CG2-CE2 3.98Å; Q149-F153 PolarHBondContact O-N 3.38Å; P150-F153 PolarHBondContact O-N 2.99Å; F153-S155 PolarHBondContact O-N 3.47Å; F153-K156 WeakPolarHBondContact O-CB 3.48Å; F153-K156 PolarHBondContact O-N 3.32Å; F153-K156 VanDerWaalsContact O-N 3.13Å
154	L	83.3	Confident	82.1	Confident	54 Å²	54	69 Å²	69	28%	0.283	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-64.9	-23.4	179.4	-66.2	-180	0	0	0	112.6	Y119 D152 K156 D157 H163 W165 V166	Y119-L154 HydrophobicContact CD2-CD2 3.94Å; Y119-L154 HydrophobicContact CE2-CD2 3.7Å; Y119-L154 HydrophobicContact CE2-CG 4.21Å; D152-L154 VanDerWaalsContact C-N 3.31Å; D152-L154 PolarHBondContact O-N 3.4Å; L154-K156 PolarHBondContact O-N 2.96Å; L154-D157 WeakPolarHBondContact O-CB 3.4Å; L154-D157 PolarHBondContact O-N 2.79Å; L154-D157 VanDerWaalsContact O-N 3.13Å; L154-H163 HydrophobicContact CD2-CB 4.46Å; L154-H163 PolarHBondContact O-CE1 3.04Å; L154-W165 HydrophobicContact CD2-CH2 3.83Å; L154-W165 HydrophobicContact CD2-CZ2 3.84Å; L154-V166 HydrophobicContact CD2-CG2 4.49Å
155	S	82.9	Confident	81.6	Confident	96 Å²	96	68.9 Å²	68.9	67%	0.671	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-69.2	-18.5	176.2	77.6	0	0	0	0	113.7	D152 F153 D157	D152-S155 VanDerWaalsContact O-CB 3.28Å; D152-S155 WeakPolarHBondContact O-CB 3.44Å; D152-S155 PolarHBondContact O-N 2.74Å; D152-S155 PolarHBondContact O-OG 2.92Å; F153-S155 PolarHBondContact O-N 3.47Å; S155-D157 VanDerWaalsContact C-N 3.26Å
156	K	80.4	Confident	81.2	Confident	51 Å²	51	65.7 Å²	65.7	22%	0.222	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-76.8	-11.8	173.1	-72.1	-72.7	-160.6	166.2	0	112.9	L115 E146 I148 F153 L154 I158 D239	L115-K156 HydrophobicContact CD1-CB 3.85Å; E146-K156 IonicContact OE2-NZ 3.89Å; E146-K156 PolarHBondContact OE2-NZ 3.02Å; I148-K156 HydrophobicContact CD1-CB 4.37Å; I148-K156 HydrophobicContact CD1-CD 4.2Å; I148-K156 HydrophobicContact CD1-CG 3.26Å; F153-K156 WeakPolarHBondContact O-CB 3.48Å; F153-K156 PolarHBondContact O-N 3.32Å; F153-K156 VanDerWaalsContact O-N 3.13Å; L154-K156 PolarHBondContact O-N 2.96Å; K156-I158 PolarHBondContact O-N 2.92Å; K156-D239 IonicContact NZ-OD2 2.8Å
157	D	75.8	Confident	81	Confident	15 Å²	15	66.8 Å²	66.8	8%	0.08	37%	0.365	C	S	.	.			trans	-73.6	91.1	175.7	-167.5	-5.6	0	0	0	110.6	L115 L154 S155 Y159 S160 H163 W165	L115-D157 VanDerWaalsContact CD2-CA 3.46Å; L115-D157 HydrophobicContact CD2-CB 3.54Å; L154-D157 WeakPolarHBondContact O-CB 3.4Å; L154-D157 PolarHBondContact O-N 2.79Å; L154-D157 VanDerWaalsContact O-N 3.13Å; S155-D157 VanDerWaalsContact C-N 3.26Å; D157-Y159 VanDerWaalsContact C-N 3.25Å; D157-Y159 PolarHBondContact OD1-N 3.47Å; D157-S160 PolarHBondContact OD1-N 3.47Å; D157-S160 WeakPolarHBondContact OD2-CB 3.4Å; D157-S160 VanDerWaalsContact OD2-O 3.12Å; D157-H163 IonicContact OD2-CE1 2.64Å; D157-H163 IonicContact OD2-ND1 3.04Å; D157-H163 PolarHBondContact OD2-ND1 3.37Å; D157-W165 PolarHBondContact OD2-NE1 2.91Å
158	I	72	Confident	80.7	Confident	98 Å²	98	64.9 Å²	64.9	50%	0.503	35%	0.351	S	S	.	.	S	Bend	trans	-80.3	-8.7	173.3	67.4	157.5	0	0	0	112.9	V109 K156	V109-I158 HydrophobicContact CB-CD1 4.4Å; V109-I158 HydrophobicContact CG1-CD1 3.62Å; V109-I158 HydrophobicContact CG1-CG1 3.93Å; V109-I158 HydrophobicContact CG2-CD1 4.12Å; K156-I158 PolarHBondContact O-N 2.92Å
159	Y	66.5	Low	80.4	Confident	119 Å²	119	64.8 Å²	64.8	47%	0.467	36%	0.355	S	S	.	.	S	Bend	trans	-94.1	-33.9	-173.5	-57.8	-83.6	0	0	0	111.9	V109 L110 A112 D157	V109-Y159 HydrophobicContact CG1-CE2 4.32Å; L110-Y159 VanDerWaalsContact O-CE2 3.23Å; L110-Y159 WeakPolarHBondContact O-CE2 3.46Å; L110-Y159 PolarHBondContact O-OH 3.18Å; A112-Y159 HydrophobicContact CB-CD2 4.21Å; A112-Y159 HydrophobicContact CB-CG 4.44Å; D157-Y159 VanDerWaalsContact C-N 3.25Å; D157-Y159 PolarHBondContact OD1-N 3.47Å
160	S	67.4	Low	80.4	Confident	31 Å²	31	64.1 Å²	64.1	22%	0.217	35%	0.351	C	S	.	.			trans	-135.7	115.7	-178.1	-160.3	0	0	0	0	112.4	D157 R162 H163 P164	D157-S160 PolarHBondContact OD1-N 3.47Å; D157-S160 WeakPolarHBondContact OD2-CB 3.4Å; D157-S160 VanDerWaalsContact OD2-O 3.12Å; S160-R162 PolarHBondContact O-N 3.06Å; S160-H163 PolarHBondContact O-CE1 3.05Å; S160-H163 PolarHBondContact O-ND1 3.33Å; S160-P164 WeakPolarHBondContact OG-CD 3.24Å
161	S	67.8	Low	80.5	Confident	112 Å²	112	64.2 Å²	64.2	78%	0.783	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13	177.3	57.1	0	0	0	0	114.3
162	R	72.5	Confident	80.5	Confident	223 Å²	223	62.6 Å²	62.6	84%	0.842	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	0.3	-174.7	-64.5	-171.3	179.2	-174.5	0.3	114.1	S160 P164	S160-R162 PolarHBondContact O-N 3.06Å; R162-P164 VanDerWaalsContact C-CD 3.45Å
163	H	78.3	Confident	80.6	Confident	44 Å²	44	61.7 Å²	61.7	20%	0.204	32%	0.324	C	S	.	.			trans	42.3	47.5	179.8	-39.2	-61.1	0	0	0	115.8	L154 D157 S160 W165 V166	L154-H163 HydrophobicContact CD2-CB 4.46Å; L154-H163 PolarHBondContact O-CE1 3.04Å; D157-H163 IonicContact OD2-CE1 2.64Å; D157-H163 IonicContact OD2-ND1 3.04Å; D157-H163 PolarHBondContact OD2-ND1 3.37Å; S160-H163 PolarHBondContact O-CE1 3.05Å; S160-H163 PolarHBondContact O-ND1 3.33Å; H163-W165 HydrophobicContact CB-CZ2 4.2Å; H163-W165 PolarHBondContact O-N 3.16Å; H163-W165 VanDerWaalsContact O-N 3.09Å; H163-V166 HydrophobicContact CB-CG2 4Å; H163-V166 PolarHBondContact O-N 2.92Å; H163-V166 VanDerWaalsContact O-N 3.09Å
164	P	81.2	Confident	80.9	Confident	61 Å²	61	62.4 Å²	62.4	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-22.4	-179.7	29.3	-34.8	0	0	0	112.3	S160 R162 V166 S167 D168	S160-P164 WeakPolarHBondContact OG-CD 3.24Å; R162-P164 VanDerWaalsContact C-CD 3.45Å; P164-V166 PolarHBondContact O-N 2.85Å; P164-S167 PolarHBondContact O-N 2.78Å; P164-S167 PolarHBondContact O-OG 2.86Å; P164-D168 PolarHBondContact O-N 3.43Å
165	W	81.9	Confident	81.2	Confident	14 Å²	14	62.6 Å²	62.6	5%	0.053	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-21.8	177.6	55.6	-100.2	0	0	0	113.5	R116 Y119 L154 D157 H163 G169	R116-W165 HydrophobicContact CB-CE3 4.5Å; R116-W165 HydrophobicContact CG-CB 4.47Å; R116-W165 HydrophobicContact CG-CD2 3.81Å; R116-W165 HydrophobicContact CG-CE3 3.7Å; R116-W165 HydrophobicContact CG-CG 4.16Å; R116-W165 HydrophobicContact CG-CZ3 4.2Å; Y119-W165 AromaticContact CD1-CH2 3.88Å; Y119-W165 HydrophobicContact CD1-CH2 3.88Å; Y119-W165 AromaticContact CD1-CZ3 3.52Å; Y119-W165 HydrophobicContact CD1-CZ3 3.52Å; Y119-W165 AromaticContact CD2-CH2 3.92Å; Y119-W165 HydrophobicContact CD2-CH2 3.92Å; Y119-W165 HydrophobicContact CD2-CZ3 4.42Å; Y119-W165 HydrophobicContact CE1-CH2 4.43Å; Y119-W165 HydrophobicContact CE1-CZ3 4.09Å; Y119-W165 HydrophobicContact CE2-CH2 4.46Å; Y119-W165 AromaticContact CG-CH2 3.57Å; Y119-W165 HydrophobicContact CG-CH2 3.57Å; Y119-W165 AromaticContact CG-CZ3 3.69Å; Y119-W165 HydrophobicContact CG-CZ3 3.69Å; L154-W165 HydrophobicContact CD2-CH2 3.83Å; L154-W165 HydrophobicContact CD2-CZ2 3.84Å; D157-W165 PolarHBondContact OD2-NE1 2.91Å; H163-W165 HydrophobicContact CB-CZ2 4.2Å; H163-W165 PolarHBondContact O-N 3.16Å; H163-W165 VanDerWaalsContact O-N 3.09Å; W165-G169 PolarHBondContact O-N 2.85Å
166	V	85.2	Confident	81.5	Confident	25 Å²	25	59 Å²	59	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-68.6	-52.9	175.6	178.3	0	0	0	0	109.9	Y119 L154 H163 P164 D168 G169 F170	Y119-V166 HydrophobicContact CE1-CG1 4.18Å; Y119-V166 HydrophobicContact CE1-CG2 4.12Å; L154-V166 HydrophobicContact CD2-CG2 4.49Å; H163-V166 HydrophobicContact CB-CG2 4Å; H163-V166 PolarHBondContact O-N 2.92Å; H163-V166 VanDerWaalsContact O-N 3.09Å; P164-V166 PolarHBondContact O-N 2.85Å; V166-D168 VanDerWaalsContact C-N 3.29Å; V166-D168 PolarHBondContact O-N 3.41Å; V166-G169 PolarHBondContact O-N 2.99Å; V166-F170 HydrophobicContact CG1-CD2 4.47Å; V166-F170 HydrophobicContact CG1-CE2 4.3Å; V166-F170 WeakPolarHBondContact O-CD2 3.44Å; V166-F170 PolarHBondContact O-N 3.14Å
167	S	86.4	Confident	82	Confident	62 Å²	62	58 Å²	58	43%	0.434	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-35.4	178	57.2	0	0	0	0	111.2	P164 G169 F170 N171	P164-S167 PolarHBondContact O-N 2.78Å; P164-S167 PolarHBondContact O-OG 2.86Å; S167-G169 VanDerWaalsContact C-N 3.34Å; S167-G169 PolarHBondContact O-N 2.96Å; S167-F170 PolarHBondContact O-N 3.36Å; S167-N171 WeakPolarHBondContact O-CB 3.31Å; S167-N171 VanDerWaalsContact O-CG 3.24Å; S167-N171 PolarHBondContact O-N 2.78Å; S167-N171 PolarHBondContact O-ND2 3.25Å; S167-N171 VanDerWaalsContact O-ND2 3.07Å
168	D	84.7	Confident	82.7	Confident	42 Å²	42	63.3 Å²	63.3	23%	0.225	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-41	172.7	-74.3	-28.4	0	0	0	113	P164 V166 F170 N171 R172 R221	P164-D168 PolarHBondContact O-N 3.43Å; V166-D168 VanDerWaalsContact C-N 3.29Å; V166-D168 PolarHBondContact O-N 3.41Å; D168-F170 PolarHBondContact O-N 2.83Å; D168-N171 PolarHBondContact O-N 2.84Å; D168-R172 WeakPolarHBondContact O-CG 3.47Å; D168-R172 PolarHBondContact O-N 2.81Å; D168-R221 IonicContact OD1-CZ 2.7Å; D168-R221 IonicContact OD1-NH1 3.6Å; D168-R221 PolarHBondContact OD1-NH1 2.64Å
169	G	85.8	Confident	83.4	Confident	18 Å²	18	61.2 Å²	61.2	19%	0.186	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-44.3	176.4	0	0	0	0	0	112.4	W165 V166 S167 N171 R172 L173	W165-G169 PolarHBondContact O-N 2.85Å; V166-G169 PolarHBondContact O-N 2.99Å; S167-G169 VanDerWaalsContact C-N 3.34Å; S167-G169 PolarHBondContact O-N 2.96Å; G169-N171 VanDerWaalsContact C-N 3.34Å; G169-N171 PolarHBondContact O-N 3.45Å; G169-R172 PolarHBondContact O-N 3.26Å; G169-L173 WeakPolarHBondContact O-CB 2.93Å; G169-L173 PolarHBondContact O-N 3.48Å
170	F	89.9	Confident	84.4	Confident	55 Å²	55	58.5 Å²	58.5	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-37.6	174.1	-78.5	-66.9	0	0	0	112.9	W62 L64 W120 F123 V166 S167 D168 L173 H174	W62-F170 HydrophobicContact CZ3-CE1 4.04Å; L64-F170 HydrophobicContact CD1-CD1 4.34Å; W120-F170 HydrophobicContact CH2-CD1 4.24Å; W120-F170 AromaticContact CH2-CD2 3.75Å; W120-F170 HydrophobicContact CH2-CD2 3.75Å; W120-F170 HydrophobicContact CH2-CE1 4.09Å; W120-F170 AromaticContact CH2-CE2 3.59Å; W120-F170 HydrophobicContact CH2-CE2 3.59Å; W120-F170 HydrophobicContact CH2-CG 4.08Å; W120-F170 AromaticContact CH2-CZ 3.77Å; W120-F170 HydrophobicContact CH2-CZ 3.77Å; W120-F170 HydrophobicContact CZ3-CE1 4.19Å; W120-F170 HydrophobicContact CZ3-CE2 4.15Å; W120-F170 AromaticContact CZ3-CZ 3.9Å; W120-F170 HydrophobicContact CZ3-CZ 3.9Å; F123-F170 HydrophobicContact CE1-CE1 4.48Å; F123-F170 AromaticContact CE1-CZ 3.76Å; F123-F170 HydrophobicContact CE1-CZ 3.76Å; F123-F170 HydrophobicContact CZ-CZ 4.1Å; V166-F170 HydrophobicContact CG1-CD2 4.47Å; V166-F170 HydrophobicContact CG1-CE2 4.3Å; V166-F170 WeakPolarHBondContact O-CD2 3.44Å; V166-F170 PolarHBondContact O-N 3.14Å; S167-F170 PolarHBondContact O-N 3.36Å; D168-F170 PolarHBondContact O-N 2.83Å; F170-L173 PolarHBondContact O-N 3Å; F170-H174 WeakPolarHBondContact O-CB 3.24Å; F170-H174 PolarHBondContact O-N 2.86Å
171	N	89.5	Confident	85.4	Confident	61 Å²	61	60.2 Å²	60.2	33%	0.326	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-40.9	176.9	-73.3	-39.9	0	0	0	112.1	S167 D168 G169 H174 W175 R221	S167-N171 WeakPolarHBondContact O-CB 3.31Å; S167-N171 VanDerWaalsContact O-CG 3.24Å; S167-N171 PolarHBondContact O-N 2.78Å; S167-N171 PolarHBondContact O-ND2 3.25Å; S167-N171 VanDerWaalsContact O-ND2 3.07Å; D168-N171 PolarHBondContact O-N 2.84Å; G169-N171 VanDerWaalsContact C-N 3.34Å; G169-N171 PolarHBondContact O-N 3.45Å; N171-H174 PolarHBondContact O-N 3.32Å; N171-W175 WeakPolarHBondContact O-CB 3.32Å; N171-W175 PolarHBondContact O-N 3.21Å; N171-R221 PolarHBondContact ND2-NH2 2.77Å
172	R	86.3	Confident	86.4	Confident	55 Å²	55	60.4 Å²	60.4	21%	0.208	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-46.3	173.4	-68.2	-169.5	-137	-97.2	-3.3	111.3	D168 G169 H174 W175 I176 E219	D168-R172 WeakPolarHBondContact O-CG 3.47Å; D168-R172 PolarHBondContact O-N 2.81Å; G169-R172 PolarHBondContact O-N 3.26Å; R172-H174 VanDerWaalsContact C-N 3.31Å; R172-H174 PolarHBondContact O-N 3.44Å; R172-W175 PolarHBondContact O-N 3.35Å; R172-W175 VanDerWaalsContact O-N 3.14Å; R172-I176 WeakPolarHBondContact O-CG1 3.45Å; R172-I176 PolarHBondContact O-N 2.84Å; R172-E219 WeakPolarHBondContact CB-OE1 3.31Å; R172-E219 VanDerWaalsContact CD-OE2 3.24Å; R172-E219 WeakPolarHBondContact CD-OE2 3.36Å; R172-E219 WeakPolarHBondContact CG-OE1 3.42Å; R172-E219 VanDerWaalsContact CG-OE2 3.31Å; R172-E219 WeakPolarHBondContact CG-OE2 3.39Å; R172-E219 IonicContact CZ-OE2 3.88Å; R172-E219 IonicContact NE-OE2 2.79Å; R172-E219 IonicContact NH1-OE2 2.73Å; R172-E219 PolarHBondContact NH1-OE2 3.09Å
173	L	89.5	Confident	87	Confident	57 Å²	57	51.3 Å²	51.3	30%	0.298	26%	0.263	S	S	.	.	H	α-helix	trans	-57	-46.5	176.5	179	61.2	0	0	0	111.1	L64 G169 F170 W175 I176 L177	L64-L173 HydrophobicContact CD2-CB 4.45Å; L64-L173 HydrophobicContact CD2-CD2 4.1Å; L64-L173 HydrophobicContact CD2-CG 4.05Å; G169-L173 WeakPolarHBondContact O-CB 2.93Å; G169-L173 PolarHBondContact O-N 3.48Å; F170-L173 PolarHBondContact O-N 3Å; L173-W175 VanDerWaalsContact C-N 3.34Å; L173-W175 PolarHBondContact O-N 2.8Å; L173-I176 PolarHBondContact O-N 2.78Å; L173-L177 HydrophobicContact CD1-CD1 4.07Å; L173-L177 HydrophobicContact CD1-CG 4.22Å; L173-L177 HydrophobicContact CG-CD1 3.91Å; L173-L177 HydrophobicContact CG-CG 4.5Å; L173-L177 WeakPolarHBondContact O-CB 3.39Å; L173-L177 WeakPolarHBondContact O-CD1 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 2.96Å
174	H	91.8	Very high	87.4	Confident	18 Å²	18	53.7 Å²	53.7	8%	0.083	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-45.1	175.8	176.8	-112.5	0	0	0	111.9	L64 K65 E66 F67 F170 N171 R172 L177 R178	L64-H174 HydrophobicContact CD2-CB 3.96Å; L64-H174 HydrophobicContact CG-CB 4.34Å; K65-H174 PolarHBondContact NZ-CE1 3.44Å; K65-H174 PolarHBondContact NZ-ND1 3.3Å; K65-H174 VanDerWaalsContact NZ-ND1 3.11Å; E66-H174 VanDerWaalsContact CD-NE2 3.33Å; E66-H174 IonicContact OE1-CD2 2.83Å; E66-H174 IonicContact OE1-CE1 2.93Å; E66-H174 IonicContact OE1-NE2 3.94Å; E66-H174 PolarHBondContact OE1-NE2 3.18Å; E66-H174 IonicContact OE2-NE2 3.43Å; E66-H174 PolarHBondContact OE2-NE2 2.95Å; F67-H174 AromaticContact CD2-CD2 3.81Å; F67-H174 AromaticContact CE2-CD2 3.72Å; F67-H174 AromaticContact CE2-NE2 3.77Å; F170-H174 WeakPolarHBondContact O-CB 3.24Å; F170-H174 PolarHBondContact O-N 2.86Å; N171-H174 PolarHBondContact O-N 3.32Å; R172-H174 VanDerWaalsContact C-N 3.31Å; R172-H174 PolarHBondContact O-N 3.44Å; H174-L177 PolarHBondContact O-N 2.91Å; H174-R178 WeakPolarHBondContact O-CB 3.38Å; H174-R178 PolarHBondContact O-N 3.47Å
175	W	89.8	Confident	87.4	Confident	58 Å²	58	55.9 Å²	55.9	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-46.2	178.4	176.7	82.4	0	0	0	111.9	N171 R172 L173 L177 R178 Q179 F200 L217 D218 E219	N171-W175 WeakPolarHBondContact O-CB 3.32Å; N171-W175 PolarHBondContact O-N 3.21Å; R172-W175 PolarHBondContact O-N 3.35Å; R172-W175 VanDerWaalsContact O-N 3.14Å; L173-W175 VanDerWaalsContact C-N 3.34Å; L173-W175 PolarHBondContact O-N 2.8Å; W175-L177 PolarHBondContact O-N 2.97Å; W175-R178 WeakPolarHBondContact O-CB 3.39Å; W175-R178 PolarHBondContact O-N 3.42Å; W175-Q179 HydrophobicContact CD2-CG 4.37Å; W175-Q179 WeakPolarHBondContact O-CG 3.23Å; W175-Q179 PolarHBondContact O-N 3.09Å; W175-F200 AromaticContact CZ3-CD2 3.94Å; W175-F200 HydrophobicContact CZ3-CD2 3.94Å; W175-F200 HydrophobicContact CZ3-CE2 4.47Å; W175-L217 VanDerWaalsContact CH2-C 3.45Å; W175-L217 HydrophobicContact CH2-CB 3.12Å; W175-L217 HydrophobicContact CH2-CD1 4.46Å; W175-L217 HydrophobicContact CH2-CG 4.35Å; W175-L217 HydrophobicContact CZ2-CB 3.79Å; W175-L217 HydrophobicContact CZ3-CB 3.66Å; W175-L217 HydrophobicContact CZ3-CD1 4.24Å; W175-D218 VanDerWaalsContact CZ2-O 3.28Å; W175-D218 WeakPolarHBondContact CZ2-O 3.25Å; W175-E219 HydrophobicContact CD2-CG 4.1Å; W175-E219 HydrophobicContact CE3-CG 3.66Å; W175-E219 VanDerWaalsContact CE3-OE1 3.25Å; W175-E219 HydrophobicContact CH2-CB 4.45Å; W175-E219 HydrophobicContact CH2-CG 3.39Å; W175-E219 HydrophobicContact CZ2-CG 3.98Å; W175-E219 HydrophobicContact CZ3-CG 3.3Å; W175-E219 WeakPolarHBondContact CZ3-OE1 3.48Å
176	I	88.5	Confident	87.4	Confident	20 Å²	20	57.8 Å²	57.8	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-57.7	-48.8	175.5	-68.2	162.7	0	0	0	110.5	R172 L173 R178 Q179 L180 L190	R172-I176 WeakPolarHBondContact O-CG1 3.45Å; R172-I176 PolarHBondContact O-N 2.84Å; L173-I176 PolarHBondContact O-N 2.78Å; I176-R178 VanDerWaalsContact C-N 3.25Å; I176-R178 PolarHBondContact O-N 2.73Å; I176-Q179 WeakPolarHBondContact O-CB 3.31Å; I176-Q179 PolarHBondContact O-N 2.75Å; I176-L180 HydrophobicContact CG2-CD1 3.93Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CG 3.07Å; I176-L180 PolarHBondContact O-N 3.09Å; I176-L190 HydrophobicContact CD1-CD2 3.98Å; I176-L190 HydrophobicContact CG2-CD2 4.1Å
177	L	91.2	Very high	87.1	Confident	30 Å²	30	58.9 Å²	58.9	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-37	179.1	-71.3	166.5	0	0	0	112.3	L64 F67 L69 L173 H174 W175 L180 S181	L64-L177 HydrophobicContact CD2-CD1 4Å; F67-L177 HydrophobicContact CD2-CB 3.95Å; F67-L177 HydrophobicContact CD2-CD1 4.33Å; F67-L177 HydrophobicContact CE1-CB 4.45Å; F67-L177 HydrophobicContact CE2-CB 3.88Å; F67-L177 HydrophobicContact CG-CB 4.28Å; F67-L177 HydrophobicContact CG-CD1 4.45Å; F67-L177 HydrophobicContact CZ-CB 4.16Å; L69-L177 HydrophobicContact CD1-CD1 3.62Å; L69-L177 HydrophobicContact CD2-CD1 3.76Å; L69-L177 HydrophobicContact CD2-CD2 3.82Å; L69-L177 HydrophobicContact CD2-CG 4.45Å; L69-L177 HydrophobicContact CG-CD1 4.25Å; L173-L177 HydrophobicContact CD1-CD1 4.07Å; L173-L177 HydrophobicContact CD1-CG 4.22Å; L173-L177 HydrophobicContact CG-CD1 3.91Å; L173-L177 HydrophobicContact CG-CG 4.5Å; L173-L177 WeakPolarHBondContact O-CB 3.39Å; L173-L177 WeakPolarHBondContact O-CD1 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.48Å; L173-L177 PolarHBondContact O-N 2.96Å; H174-L177 PolarHBondContact O-N 2.91Å; W175-L177 PolarHBondContact O-N 2.97Å; L177-L180 PolarHBondContact O-N 3.36Å; L177-S181 PolarHBondContact O-N 2.91Å
178	R	90.7	Very high	86.9	Confident	126 Å²	126	59.2 Å²	59.2	48%	0.475	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-42.6	173.5	-170.3	-179.6	-179.3	131.7	-4.1	111.9	F67 H174 W175 I176 L180 S181 H182	F67-R178 HydrophobicContact CE2-CB 4.44Å; F67-R178 HydrophobicContact CZ-CB 4.32Å; H174-R178 WeakPolarHBondContact O-CB 3.38Å; H174-R178 PolarHBondContact O-N 3.47Å; W175-R178 WeakPolarHBondContact O-CB 3.39Å; W175-R178 PolarHBondContact O-N 3.42Å; I176-R178 VanDerWaalsContact C-N 3.25Å; I176-R178 PolarHBondContact O-N 2.73Å; R178-L180 VanDerWaalsContact C-N 3.33Å; R178-S181 PolarHBondContact O-N 3.32Å; R178-S181 PolarHBondContact O-OG 2.89Å; R178-H182 PolarHBondContact O-CD2 3.21Å
179	Q	87.5	Confident	86.8	Confident	55 Å²	55	58.9 Å²	58.9	26%	0.257	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-40.1	175.1	-58.1	-55.1	-33.8	0	0	111.7	W175 I176 S181 H182 L217	W175-Q179 HydrophobicContact CD2-CG 4.37Å; W175-Q179 WeakPolarHBondContact O-CG 3.23Å; W175-Q179 PolarHBondContact O-N 3.09Å; I176-Q179 WeakPolarHBondContact O-CB 3.31Å; I176-Q179 PolarHBondContact O-N 2.75Å; Q179-S181 VanDerWaalsContact C-N 3.32Å; Q179-S181 PolarHBondContact O-N 3.25Å; Q179-H182 PolarHBondContact O-N 2.82Å; Q179-L217 HydrophobicContact CB-CD1 4.1Å; Q179-L217 HydrophobicContact CB-CD2 3.84Å; Q179-L217 HydrophobicContact CG-CD1 4.21Å; Q179-L217 HydrophobicContact CG-CD2 3.8Å
180	L	87	Confident	86.8	Confident	62 Å²	62	61.4 Å²	61.4	33%	0.325	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-34.6	175	-68.4	174.7	0	0	0	112.6	I176 L177 R178 H182 L183 L202	I176-L180 HydrophobicContact CG2-CD1 3.93Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CG 3.07Å; I176-L180 PolarHBondContact O-N 3.09Å; L177-L180 PolarHBondContact O-N 3.36Å; R178-L180 VanDerWaalsContact C-N 3.33Å; L180-H182 PolarHBondContact O-N 2.89Å; L180-L183 HydrophobicContact CD2-CD1 4.16Å; L180-L183 WeakPolarHBondContact O-CB 3.01Å; L180-L183 PolarHBondContact O-N 3.27Å; L180-L183 VanDerWaalsContact O-N 3.07Å; L180-L202 HydrophobicContact CD2-CD1 3.86Å; L180-L202 HydrophobicContact CD2-CD2 3.6Å; L180-L202 HydrophobicContact CD2-CG 4.4Å
181	S	88.5	Confident	86.3	Confident	67 Å²	67	59.4 Å²	59.4	47%	0.469	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16	177.8	75.8	0	0	0	0	114.3	L177 R178 Q179 L183	L177-S181 PolarHBondContact O-N 2.91Å; R178-S181 PolarHBondContact O-N 3.32Å; R178-S181 PolarHBondContact O-OG 2.89Å; Q179-S181 VanDerWaalsContact C-N 3.32Å; Q179-S181 PolarHBondContact O-N 3.25Å; S181-L183 VanDerWaalsContact C-N 3.34Å
182	H	87.8	Confident	85.7	Confident	115 Å²	115	62.3 Å²	62.3	53%	0.532	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	12	175.6	-60.9	-49.2	0	0	0	112.9	R178 Q179 L180 R215	R178-H182 PolarHBondContact O-CD2 3.21Å; Q179-H182 PolarHBondContact O-N 2.82Å; L180-H182 PolarHBondContact O-N 2.89Å; H182-R215 PolarHBondContact O-NH1 3.45Å
183	L	86	Confident	84.9	Confident	33 Å²	33	61.2 Å²	61.2	17%	0.173	31%	0.314	C	S	.	.	S	Bend	trans	-110.9	154.4	178	-75.3	166.3	0	0	0	110.7	L180 S181 Y188 L202 R215	L180-L183 HydrophobicContact CD2-CD1 4.16Å; L180-L183 WeakPolarHBondContact O-CB 3.01Å; L180-L183 PolarHBondContact O-N 3.27Å; L180-L183 VanDerWaalsContact O-N 3.07Å; S181-L183 VanDerWaalsContact C-N 3.34Å; L183-Y188 HydrophobicContact CB-CE1 4.43Å; L183-Y188 HydrophobicContact CB-CE2 4.21Å; L183-Y188 HydrophobicContact CD1-CD1 4.24Å; L183-Y188 HydrophobicContact CD1-CE1 3.95Å; L183-Y188 HydrophobicContact CD2-CE1 4.1Å; L183-Y188 HydrophobicContact CG-CE1 4.42Å; L183-L202 HydrophobicContact CD1-CD2 3.01Å; L183-L202 HydrophobicContact CD1-CG 4.5Å; L183-L202 HydrophobicContact CG-CD2 4.48Å; L183-R215 VanDerWaalsContact CG-NH1 3.31Å
184	D	85.2	Confident	83.8	Confident	94 Å²	94	62.1 Å²	62.1	50%	0.503	33%	0.329	S	S	.	.			trans	-64.3	158.8	171.3	-72.6	-15	0	0	0	109.4	K17 G186 Y188	K17-D184 WeakPolarHBondContact CE-OD2 3.01Å; K17-D184 IonicContact NZ-OD2 3.61Å; D184-G186 PolarHBondContact O-N 2.89Å; D184-Y188 VanDerWaalsContact O-CE2 3.29Å; D184-Y188 WeakPolarHBondContact O-CE2 3.41Å; D184-Y188 PolarHBondContact O-OH 2.8Å
185	E	82.6	Confident	82.5	Confident	106 Å²	106	65.8 Å²	65.8	50%	0.495	36%	0.357	S	S	.	.	S	Bend	trans	-67.4	128.5	176.2	-59.9	-177.7	-140	0	0	110	I13 G14 V15	I13-E185 WeakPolarHBondContact CA-OE2 3.47Å; I13-E185 WeakPolarHBondContact CB-OE2 3.46Å; I13-E185 WeakPolarHBondContact CG2-OE2 3.31Å; G14-E185 PolarHBondContact N-OE1 2.84Å; V15-E185 PolarHBondContact N-OE1 3.22Å
186	G	81.4	Confident	81.1	Confident	55 Å²	55	64.8 Å²	64.8	57%	0.567	36%	0.361	S	S	*	.	S	Bend	trans	175.8	176.2	-176.6	0	0	0	0	0	112.2	D184 Y188	D184-G186 PolarHBondContact O-N 2.89Å; G186-Y188 WeakPolarHBondContact O-CD2 3.35Å
187	A	79.8	Confident	79.9	Confident	47 Å²	47	68.2 Å²	68.2	39%	0.388	38%	0.377	S	S	.	.			trans	-85.4	135.5	170	0	0	0	0	0	109.5	E205	A187-E205 HydrophobicContact CB-CB 3.87Å; A187-E205 WeakPolarHBondContact CB-OE2 3.48Å; A187-E205 PolarHBondContact O-N 2.98Å
188	Y	82.2	Confident	78.7	Confident	69 Å²	69	67.5 Å²	67.5	27%	0.271	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137.3	178.2	-64.4	-88	0	0	0	110.3	L183 D184 G186 L202 Y203	L183-Y188 HydrophobicContact CB-CE1 4.43Å; L183-Y188 HydrophobicContact CB-CE2 4.21Å; L183-Y188 HydrophobicContact CD1-CD1 4.24Å; L183-Y188 HydrophobicContact CD1-CE1 3.95Å; L183-Y188 HydrophobicContact CD2-CE1 4.1Å; L183-Y188 HydrophobicContact CG-CE1 4.42Å; D184-Y188 VanDerWaalsContact O-CE2 3.29Å; D184-Y188 WeakPolarHBondContact O-CE2 3.41Å; D184-Y188 PolarHBondContact O-OH 2.8Å; G186-Y188 WeakPolarHBondContact O-CD2 3.35Å; Y188-L202 HydrophobicContact CD1-CD2 3.54Å; Y188-L202 HydrophobicContact CD1-CG 3.91Å; Y188-L202 HydrophobicContact CE1-CD2 4.23Å; Y188-L202 HydrophobicContact CG-CD1 4.47Å; Y188-L202 HydrophobicContact CG-CD2 3.84Å; Y188-L202 HydrophobicContact CG-CG 4.16Å; Y188-Y203 CarbonylContact C-O 3.47Å; Y188-Y203 WeakPolarHBondContact CA-O 3.47Å
189	L	82.3	Confident	77.7	Confident	35 Å²	35	62.1 Å²	62.1	18%	0.183	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.2	170.7	-179.4	67.2	0	0	0	108.6	E42 F47 T191 L202 Y203	E42-L189 HydrophobicContact CB-CD2 3.95Å; F47-L189 HydrophobicContact CD2-CD1 4.26Å; F47-L189 HydrophobicContact CE2-CD1 4.2Å; F47-L189 HydrophobicContact CE2-CD2 4.48Å; L189-T191 HydrophobicContact CD2-CG2 3.78Å; L189-T191 HydrophobicContact CG-CG2 3.71Å; L189-L202 CarbonylContact O-C 3.59Å; L189-L202 WeakPolarHBondContact O-CA 3.28Å; L189-Y203 PolarHBondContact N-O 2.97Å; L189-Y203 PolarHBondContact O-N 2.88Å
190	L	84.4	Confident	77.4	Confident	71 Å²	71	60.7 Å²	60.7	37%	0.372	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112	171.2	-178.7	74	0	0	0	108.8	I176 F200 L202 L217	I176-L190 HydrophobicContact CD1-CD2 3.98Å; I176-L190 HydrophobicContact CG2-CD2 4.1Å; L190-F200 HydrophobicContact CD1-CB 3.88Å; L190-F200 HydrophobicContact CD1-CD1 4.41Å; L190-F200 HydrophobicContact CD1-CG 4.48Å; L190-F200 HydrophobicContact CG-CD1 4.5Å; L190-L202 HydrophobicContact CB-CD1 3.93Å; L190-L202 HydrophobicContact CD1-CD1 3.94Å; L190-L217 HydrophobicContact CD1-CD1 4.31Å
191	T	80.1	Confident	77.1	Confident	14 Å²	14	57.8 Å²	57.8	9%	0.086	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	155.3	175	85.9	0	0	0	0	110.3	E42 L189 F200 S201 Y203	E42-T191 HydrophobicContact CB-CG2 4.26Å; E42-T191 HydrophobicContact CG-CG2 4.43Å; E42-T191 WeakPolarHBondContact OE2-CB 3.21Å; E42-T191 WeakPolarHBondContact OE2-CG2 3.15Å; L189-T191 HydrophobicContact CD2-CG2 3.78Å; L189-T191 HydrophobicContact CG-CG2 3.71Å; T191-F200 CarbonylContact O-C 3.56Å; T191-F200 VanDerWaalsContact O-CA 3.3Å; T191-F200 WeakPolarHBondContact O-CA 3.16Å; T191-S201 PolarHBondContact N-O 2.87Å; T191-S201 PolarHBondContact O-N 2.92Å; T191-Y203 HydrophobicContact CG2-CD2 3.71Å; T191-Y203 HydrophobicContact CG2-CE2 3.48Å; T191-Y203 VanDerWaalsContact CG2-CE2 3.48Å; T191-Y203 WeakPolarHBondContact OG1-CE2 3.41Å
192	R	76.3	Confident	76.7	Confident	122 Å²	122	54.9 Å²	54.9	46%	0.46	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.8	174.5	-175.5	-177.3	-176	-167.8	2.3	108.5	A194 F200 I226	R192-A194 PolarHBondContact O-N 2.65Å; R192-F200 HydrophobicContact CB-CD1 4.19Å; R192-F200 HydrophobicContact CB-CE1 4.26Å; R192-F200 HydrophobicContact CG-CD1 4.31Å; R192-F200 HydrophobicContact CG-CE1 4.11Å; R192-I226 VanDerWaalsContact NH1-CD1 3.28Å
193	D	70.7	Confident	76.3	Confident	32 Å²	32	52 Å²	52	17%	0.171	30%	0.297	C	S	.	.			trans	-75.3	116.8	171.6	-164	-27.2	0	0	0	109.1	R39 S195 A196 S199	R39-D193 IonicContact NH2-OD2 3.93Å; D193-S195 VanDerWaalsContact C-N 3.26Å; D193-S195 WeakPolarHBondContact OD1-CA 3.27Å; D193-S195 WeakPolarHBondContact OD1-CB 3.03Å; D193-S195 PolarHBondContact OD1-N 3.45Å; D193-S195 PolarHBondContact OD1-OG 3.38Å; D193-S195 PolarHBondContact OD2-OG 2.63Å; D193-A196 HydrophobicContact CB-CB 3.89Å; D193-A196 PolarHBondContact OD1-N 2.72Å; D193-A196 VanDerWaalsContact OD1-N 3.11Å; D193-S199 PolarHBondContact N-O 2.79Å; D193-S199 VanDerWaalsContact N-O 3.08Å
194	A	66.8	Low	76	Confident	75 Å²	75	51.6 Å²	51.6	62%	0.62	30%	0.296	S	S	*	.	S	Bend	trans	-69.7	-27.7	175	0	0	0	0	0	112	R192	R192-A194 PolarHBondContact O-N 2.65Å
195	S	63.4	Low	75.4	Confident	95 Å²	95	54 Å²	54	66%	0.664	31%	0.305	S	S	*	.	S	Bend	trans	-87.1	-37.1	-178	73	0	0	0	0	112.8	D193 H197	D193-S195 VanDerWaalsContact C-N 3.26Å; D193-S195 WeakPolarHBondContact OD1-CA 3.27Å; D193-S195 WeakPolarHBondContact OD1-CB 3.03Å; D193-S195 PolarHBondContact OD1-N 3.45Å; D193-S195 PolarHBondContact OD1-OG 3.38Å; D193-S195 PolarHBondContact OD2-OG 2.63Å; S195-H197 PolarHBondContact O-N 3.41Å
196	A	60.5	Low	74.6	Confident	38 Å²	38	50.8 Å²	50.8	31%	0.314	29%	0.294	S	S	.	.	S	Bend	trans	-94.4	93.4	173.9	0	0	0	0	0	109.9	D193 N198 S199	D193-A196 HydrophobicContact CB-CB 3.89Å; D193-A196 PolarHBondContact OD1-N 2.72Å; D193-A196 VanDerWaalsContact OD1-N 3.11Å; A196-N198 PolarHBondContact O-N 2.76Å; A196-S199 VanDerWaalsContact O-CB 3.3Å; A196-S199 WeakPolarHBondContact O-CB 3.06Å; A196-S199 PolarHBondContact O-N 3.04Å
197	H	63.6	Low	73.4	Confident	92 Å²	92	53.5 Å²	53.5	43%	0.426	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	123.3	-177.1	-55.5	-68	0	0	0	113.3	S195 S199	S195-H197 PolarHBondContact O-N 3.41Å; H197-S199 PolarHBondContact O-N 3.13Å
198	N	65.1	Low	72.3	Confident	14 Å²	14	56.2 Å²	56.2	8%	0.075	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	19.4	-177.2	-62.9	-22.6	0	0	0	115.3	A196 E219	A196-N198 PolarHBondContact O-N 2.76Å; N198-E219 HydrophobicContact CB-CB 4.28Å; N198-E219 PolarHBondContact O-N 3.26Å
199	S	70.8	Confident	71.2	Confident	14 Å²	14	58.3 Å²	58.3	10%	0.098	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.8	168.8	-172.2	0	0	0	0	110.6	D193 A196 H197 L217	D193-S199 PolarHBondContact N-O 2.79Å; D193-S199 VanDerWaalsContact N-O 3.08Å; A196-S199 VanDerWaalsContact O-CB 3.3Å; A196-S199 WeakPolarHBondContact O-CB 3.06Å; A196-S199 PolarHBondContact O-N 3.04Å; H197-S199 PolarHBondContact O-N 3.13Å; S199-L217 WeakPolarHBondContact CA-O 3.48Å
200	F	80	Confident	70.1	Confident	24 Å²	24	62.8 Å²	62.8	11%	0.105	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.7	169.5	-59	-91.3	0	0	0	108.8	W175 L190 T191 R192 L217 E219	W175-F200 AromaticContact CZ3-CD2 3.94Å; W175-F200 HydrophobicContact CZ3-CD2 3.94Å; W175-F200 HydrophobicContact CZ3-CE2 4.47Å; L190-F200 HydrophobicContact CD1-CB 3.88Å; L190-F200 HydrophobicContact CD1-CD1 4.41Å; L190-F200 HydrophobicContact CD1-CG 4.48Å; L190-F200 HydrophobicContact CG-CD1 4.5Å; T191-F200 CarbonylContact O-C 3.56Å; T191-F200 VanDerWaalsContact O-CA 3.3Å; T191-F200 WeakPolarHBondContact O-CA 3.16Å; R192-F200 HydrophobicContact CB-CD1 4.19Å; R192-F200 HydrophobicContact CB-CE1 4.26Å; R192-F200 HydrophobicContact CG-CD1 4.31Å; R192-F200 HydrophobicContact CG-CE1 4.11Å; F200-L217 HydrophobicContact CB-CB 4.25Å; F200-L217 HydrophobicContact CB-CD1 4.36Å; F200-L217 PolarHBondContact N-O 2.8Å; F200-L217 PolarHBondContact O-N 3.24Å; F200-E219 HydrophobicContact CE2-CG 4.26Å
201	S	80.5	Confident	68.7	Low	1 Å²	1	64.6 Å²	64.6	1%	0.007	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.8	172.5	-59.4	0	0	0	0	108.1	T191 Y203 L216	T191-S201 PolarHBondContact N-O 2.87Å; T191-S201 PolarHBondContact O-N 2.92Å; S201-Y203 VanDerWaalsContact CB-CE2 3.41Å; S201-L216 VanDerWaalsContact OG-CD2 3.27Å; S201-L216 WeakPolarHBondContact OG-CD2 3.37Å
202	L	81.2	Confident	68	Low	7 Å²	7	65.6 Å²	65.6	4%	0.037	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.5	171.8	-164.1	82.5	0	0	0	109.2	L180 L183 Y188 L189 L190 I214 R215	L180-L202 HydrophobicContact CD2-CD1 3.86Å; L180-L202 HydrophobicContact CD2-CD2 3.6Å; L180-L202 HydrophobicContact CD2-CG 4.4Å; L183-L202 HydrophobicContact CD1-CD2 3.01Å; L183-L202 HydrophobicContact CD1-CG 4.5Å; L183-L202 HydrophobicContact CG-CD2 4.48Å; Y188-L202 HydrophobicContact CD1-CD2 3.54Å; Y188-L202 HydrophobicContact CD1-CG 3.91Å; Y188-L202 HydrophobicContact CE1-CD2 4.23Å; Y188-L202 HydrophobicContact CG-CD1 4.47Å; Y188-L202 HydrophobicContact CG-CD2 3.84Å; Y188-L202 HydrophobicContact CG-CG 4.16Å; L189-L202 CarbonylContact O-C 3.59Å; L189-L202 WeakPolarHBondContact O-CA 3.28Å; L190-L202 HydrophobicContact CB-CD1 3.93Å; L190-L202 HydrophobicContact CD1-CD1 3.94Å; L202-I214 WeakPolarHBondContact O-CA 3.46Å; L202-R215 HydrophobicContact CB-CB 4.48Å; L202-R215 PolarHBondContact N-O 3.08Å; L202-R215 PolarHBondContact O-N 3.42Å
203	Y	79.8	Confident	67.5	Low	55 Å²	55	65.6 Å²	65.6	22%	0.216	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.6	177.2	-56.9	-98.8	0	0	0	108.8	Y188 L189 T191 S201 I214	Y188-Y203 CarbonylContact C-O 3.47Å; Y188-Y203 WeakPolarHBondContact CA-O 3.47Å; L189-Y203 PolarHBondContact N-O 2.97Å; L189-Y203 PolarHBondContact O-N 2.88Å; T191-Y203 HydrophobicContact CG2-CD2 3.71Å; T191-Y203 HydrophobicContact CG2-CE2 3.48Å; T191-Y203 VanDerWaalsContact CG2-CE2 3.48Å; T191-Y203 WeakPolarHBondContact OG1-CE2 3.41Å; S201-Y203 VanDerWaalsContact CB-CE2 3.41Å; Y203-I214 HydrophobicContact CD1-CD1 4.21Å; Y203-I214 HydrophobicContact CD1-CG1 3.77Å; Y203-I214 HydrophobicContact CE1-CD1 3.74Å; Y203-I214 HydrophobicContact CE1-CG1 3.75Å; Y203-I214 HydrophobicContact CE1-CG2 4.2Å
204	S	79.8	Confident	67.4	Low	24 Å²	24	68.7 Å²	68.7	17%	0.168	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	145.6	167.3	56.7	0	0	0	0	111.1	S206 D213	S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 2.95Å; S204-D213 PolarHBondContact N-O 2.83Å; S204-D213 PolarHBondContact OG-N 2.79Å; S204-D213 VanDerWaalsContact OG-N 3.1Å
205	E	71.9	Confident	67.6	Low	145 Å²	145	70.4 Å²	70.4	68%	0.678	41%	0.407	S	S	*	.			trans	-72.2	84.5	162.4	-171.8	179.6	-149.8	0	0	108.3	A187	A187-E205 HydrophobicContact CB-CB 3.87Å; A187-E205 WeakPolarHBondContact CB-OE2 3.48Å; A187-E205 PolarHBondContact O-N 2.98Å
206	S	65.3	Low	67.9	Low	38 Å²	38	71.8 Å²	71.8	27%	0.266	41%	0.406	S	S	.	.			trans	-90.1	131.9	167.2	60.1	0	0	0	0	109.5	S204 D208 A212	S204-S206 VanDerWaalsContact C-N 3.26Å; S204-S206 PolarHBondContact O-N 2.95Å; S206-D208 CarbonylContact O-C 3.59Å; S206-D208 PolarHBondContact O-N 2.87Å; S206-D208 VanDerWaalsContact O-N 3.13Å; S206-D208 PolarHBondContact OG-O 3.02Å; S206-A212 WeakPolarHBondContact OG-CA 3.48Å; S206-A212 PolarHBondContact OG-N 3.45Å
207	A	57.3	Low	68.5	Low	112 Å²	112	70.4 Å²	70.4	93%	0.926	39%	0.394	S	S	*	.	S	Bend	trans	-56.7	-27.4	173.9	0	0	0	0	0	112.5
208	D	57.2	Low	68.7	Low	103 Å²	103	71.1 Å²	71.1	55%	0.551	40%	0.401	S	S	*	.	S	Bend	trans	-91.5	106.4	170.6	-64.5	-29	0	0	0	109	S206 V210 N211	S206-D208 CarbonylContact O-C 3.59Å; S206-D208 PolarHBondContact O-N 2.87Å; S206-D208 VanDerWaalsContact O-N 3.13Å; S206-D208 PolarHBondContact OG-O 3.02Å; D208-V210 PolarHBondContact O-N 3.21Å; D208-N211 HydrophobicContact CB-CB 4.36Å; D208-N211 PolarHBondContact O-N 3.33Å
209	S	57.7	Low	68.8	Low	114 Å²	114	71 Å²	71	80%	0.797	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-17.7	174.2	63.9	0	0	0	0	113.6
210	V	59.2	Low	68.4	Low	129 Å²	129	78 Å²	78	78%	0.782	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-26.2	179.8	-174.6	0	0	0	0	112.5	D208	D208-V210 PolarHBondContact O-N 3.21Å
211	N	56.3	Low	67.5	Low	108 Å²	108	81.2 Å²	81.2	58%	0.578	45%	0.448	S	S	*	.	S	Bend	trans	-117.6	29.5	-172.4	-70.1	-29.5	0	0	0	113	D208 D213	D208-N211 HydrophobicContact CB-CB 4.36Å; D208-N211 PolarHBondContact O-N 3.33Å; N211-D213 PolarHBondContact O-N 3.35Å
212	A	63.8	Low	66.1	Low	36 Å²	36	90.2 Å²	90.2	30%	0.298	49%	0.489	S	S	.	.			trans	-61.8	121.8	172.7	0	0	0	0	0	109.4	S206 I214	S206-A212 WeakPolarHBondContact OG-CA 3.48Å; S206-A212 PolarHBondContact OG-N 3.45Å; A212-I214 PolarHBondContact O-N 2.63Å
213	D	66.4	Low	64.5	Low	121 Å²	121	98.3 Å²	98.3	65%	0.647	52%	0.52	S	S	*	.			trans	-74.4	110.3	174.9	-82.2	-27.5	0	0	0	107.9	S204 N211	S204-D213 PolarHBondContact N-O 2.83Å; S204-D213 PolarHBondContact OG-N 2.79Å; S204-D213 VanDerWaalsContact OG-N 3.1Å; N211-D213 PolarHBondContact O-N 3.35Å
214	I	68.1	Low	63.1	Low	97 Å²	97	99.5 Å²	99.5	50%	0.497	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.4	175.1	-54.4	177	0	0	0	108.3	L202 Y203 A212	L202-I214 WeakPolarHBondContact O-CA 3.46Å; Y203-I214 HydrophobicContact CD1-CD1 4.21Å; Y203-I214 HydrophobicContact CD1-CG1 3.77Å; Y203-I214 HydrophobicContact CE1-CD1 3.74Å; Y203-I214 HydrophobicContact CE1-CG1 3.75Å; Y203-I214 HydrophobicContact CE1-CG2 4.2Å; A212-I214 PolarHBondContact O-N 2.63Å
215	R	71.7	Confident	61.5	Low	111 Å²	111	101.5 Å²	101.5	42%	0.419	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.6	166.5	-73.6	-164.3	177.2	167.9	0.4	109.9	H182 L183 L202 L217	H182-R215 PolarHBondContact O-NH1 3.45Å; L183-R215 VanDerWaalsContact CG-NH1 3.31Å; L202-R215 HydrophobicContact CB-CB 4.48Å; L202-R215 PolarHBondContact N-O 3.08Å; L202-R215 PolarHBondContact O-N 3.42Å; R215-L217 HydrophobicContact CB-CD2 4.47Å
216	L	70	Confident	60.5	Low	124 Å²	124	97.5 Å²	97.5	65%	0.649	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.2	169.4	-66.4	174.3	0	0	0	109.2	S201	S201-L216 VanDerWaalsContact OG-CD2 3.27Å; S201-L216 WeakPolarHBondContact OG-CD2 3.37Å
217	L	72.7	Confident	59.5	Low	10 Å²	10	100.3 Å²	100.3	5%	0.052	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.1	174.6	-42.7	177.8	0	0	0	107.3	W175 Q179 L190 S199 F200 R215	W175-L217 VanDerWaalsContact CH2-C 3.45Å; W175-L217 HydrophobicContact CH2-CB 3.12Å; W175-L217 HydrophobicContact CH2-CD1 4.46Å; W175-L217 HydrophobicContact CH2-CG 4.35Å; W175-L217 HydrophobicContact CZ2-CB 3.79Å; W175-L217 HydrophobicContact CZ3-CB 3.66Å; W175-L217 HydrophobicContact CZ3-CD1 4.24Å; Q179-L217 HydrophobicContact CB-CD1 4.1Å; Q179-L217 HydrophobicContact CB-CD2 3.84Å; Q179-L217 HydrophobicContact CG-CD1 4.21Å; Q179-L217 HydrophobicContact CG-CD2 3.8Å; L190-L217 HydrophobicContact CD1-CD1 4.31Å; S199-L217 WeakPolarHBondContact CA-O 3.48Å; F200-L217 HydrophobicContact CB-CB 4.25Å; F200-L217 HydrophobicContact CB-CD1 4.36Å; F200-L217 PolarHBondContact N-O 2.8Å; F200-L217 PolarHBondContact O-N 3.24Å; R215-L217 HydrophobicContact CB-CD2 4.47Å
218	D	69.2	Low	59.2	Low	107 Å²	107	101.3 Å²	101.3	57%	0.572	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.6	178.3	-161.6	-0.5	0	0	0	111.2	W175	W175-D218 VanDerWaalsContact CZ2-O 3.28Å; W175-D218 WeakPolarHBondContact CZ2-O 3.25Å
219	E	67	Low	58.9	Low	12 Å²	12	101.7 Å²	101.7	6%	0.056	53%	0.532	C	S	.	.			trans	-96.1	107.4	173.6	-62.8	-175.1	167	0	0	110	R172 W175 N198 F200 R221	R172-E219 WeakPolarHBondContact CB-OE1 3.31Å; R172-E219 VanDerWaalsContact CD-OE2 3.24Å; R172-E219 WeakPolarHBondContact CD-OE2 3.36Å; R172-E219 WeakPolarHBondContact CG-OE1 3.42Å; R172-E219 VanDerWaalsContact CG-OE2 3.31Å; R172-E219 WeakPolarHBondContact CG-OE2 3.39Å; R172-E219 IonicContact CZ-OE2 3.88Å; R172-E219 IonicContact NE-OE2 2.79Å; R172-E219 IonicContact NH1-OE2 2.73Å; R172-E219 PolarHBondContact NH1-OE2 3.09Å; W175-E219 HydrophobicContact CD2-CG 4.1Å; W175-E219 HydrophobicContact CE3-CG 3.66Å; W175-E219 VanDerWaalsContact CE3-OE1 3.25Å; W175-E219 HydrophobicContact CH2-CB 4.45Å; W175-E219 HydrophobicContact CH2-CG 3.39Å; W175-E219 HydrophobicContact CZ2-CG 3.98Å; W175-E219 HydrophobicContact CZ3-CG 3.3Å; W175-E219 WeakPolarHBondContact CZ3-OE1 3.48Å; N198-E219 HydrophobicContact CB-CB 4.28Å; N198-E219 PolarHBondContact O-N 3.26Å; F200-E219 HydrophobicContact CE2-CG 4.26Å; E219-R221 PolarHBondContact O-N 2.91Å
220	N	61.8	Low	58.7	Low	161 Å²	161	101.3 Å²	101.3	86%	0.861	52%	0.521	S	S	*	.			trans	-69.2	55.1	172.8	-73.7	-16.8	0	0	0	113.1
221	R	60.3	Low	58.6	Low	91 Å²	91	100.1 Å²	100.1	34%	0.343	52%	0.516	S	S	.	.			trans	-110.7	145.3	179	-72.3	-179.2	166.4	-134.6	-15.8	111.4	D168 N171 E219 R223	D168-R221 IonicContact OD1-CZ 2.7Å; D168-R221 IonicContact OD1-NH1 3.6Å; D168-R221 PolarHBondContact OD1-NH1 2.64Å; N171-R221 PolarHBondContact ND2-NH2 2.77Å; E219-R221 PolarHBondContact O-N 2.91Å; R221-R223 PolarHBondContact O-N 3.11Å
222	E	52.2	Low	58.6	Low	190 Å²	190	103.3 Å²	103.3	89%	0.888	53%	0.527	S	S	*	.			trans	-56.6	135.6	175.6	-161.9	174.9	-172.5	0	0	110.8
223	R	46	Very low	58.5	Low	177 Å²	177	104.5 Å²	104.5	67%	0.668	53%	0.529	S	S	*	.			trans	-69.8	130.1	-172.5	-67.5	179.3	178	-178.8	-0.4	110.4	R221	R221-R223 PolarHBondContact O-N 3.11Å
224	I	51.2	Low	58.5	Low	79 Å²	79	99.8 Å²	99.8	41%	0.405	51%	0.506	S	S	.	.			trans	-94.2	111.2	149.1	-55.2	179.5	0	0	0	104.2	R116 I226	R116-I224 VanDerWaalsContact NH2-CD1 3.33Å; I224-I226 PolarHBondContact O-N 3.03Å
225	A	46.8	Very low	58.7	Low	67 Å²	67	102.9 Å²	102.9	55%	0.554	51%	0.512	S	S	*	.			trans	-56	116.7	174.5	0	0	0	0	0	108.2	N227	A225-N227 PolarHBondContact O-N 3.25Å
226	I	49.7	Very low	59.3	Low	61 Å²	61	98.8 Å²	98.8	31%	0.313	50%	0.498	S	S	.	.			trans	-85.9	104.7	160.9	-61.5	178.2	0	0	0	102.5	E113 R192 I224 L228	E113-I226 HydrophobicContact CG-CG1 4.4Å; E113-I226 HydrophobicContact CG-CG2 4.3Å; R192-I226 VanDerWaalsContact NH1-CD1 3.28Å; I224-I226 PolarHBondContact O-N 3.03Å; I226-L228 PolarHBondContact O-N 3.37Å
227	N	45.1	Very low	60.2	Low	96 Å²	96	101.8 Å²	101.8	51%	0.513	50%	0.501	S	S	.	.			trans	-60.9	105.5	172.9	-62.6	-5.1	0	0	0	105.7	A225 L229 D233	A225-N227 PolarHBondContact O-N 3.25Å; N227-L229 PolarHBondContact O-N 3.39Å; N227-D233 WeakPolarHBondContact CB-OD2 3.36Å; N227-D233 PolarHBondContact ND2-OD2 3.01Å
228	L	51.6	Low	61.1	Low	133 Å²	133	102.4 Å²	102.4	70%	0.696	50%	0.504	S	S	*	.			trans	-50.2	125.4	150.6	-98.9	92	0	0	0	103.8	I226 D230	I226-L228 PolarHBondContact O-N 3.37Å; L228-D230 VanDerWaalsContact C-N 3.33Å; L228-D230 PolarHBondContact O-N 2.96Å
229	L	49.6	Very low	62.1	Low	112 Å²	112	98.2 Å²	98.2	59%	0.586	48%	0.482	S	S	*	.			trans	-47.1	100.6	-173.5	-83.9	99.7	0	0	0	109.7	N227	N227-L229 PolarHBondContact O-N 3.39Å
230	D	53.9	Low	63.2	Low	105 Å²	105	101 Å²	101	56%	0.561	50%	0.501	S	S	*	.			trans	-65.6	133.5	153	-84.9	-31.7	0	0	0	104.5	L228 E232 D233 A234	L228-D230 VanDerWaalsContact C-N 3.33Å; L228-D230 PolarHBondContact O-N 2.96Å; D230-E232 PolarHBondContact O-N 3.44Å; D230-D233 HydrophobicContact CB-CB 4.48Å; D230-D233 WeakPolarHBondContact O-CA 3.5Å; D230-D233 WeakPolarHBondContact O-CB 3.11Å; D230-D233 PolarHBondContact O-N 2.93Å; D230-A234 PolarHBondContact O-N 3.22Å
231	P	57	Low	64.5	Low	104 Å²	104	99.6 Å²	99.6	68%	0.675	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-57.5	-21.7	177.5	19.4	-29.3	0	0	0	112.2	D233 A234	P231-D233 VanDerWaalsContact C-N 3.34Å; P231-A234 WeakPolarHBondContact O-CB 3.3Å; P231-A234 PolarHBondContact O-N 3.48Å
232	E	55.8	Low	65.9	Low	175 Å²	175	95.4 Å²	95.4	82%	0.818	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-68.1	-30.7	170.3	-60.3	-159.5	163.2	0	0	112.9	D230 A234	D230-E232 PolarHBondContact O-N 3.44Å; E232-A234 VanDerWaalsContact C-N 3.29Å; E232-A234 PolarHBondContact O-N 3.48Å
233	D	62.9	Low	67.8	Low	62 Å²	62	91.7 Å²	91.7	33%	0.332	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-84.1	2.5	174.1	-73.8	-19.3	0	0	0	113.6	R111 N227 D230 P231 W235	R111-D233 PolarHBondContact NH2-O 3.45Å; R111-D233 VanDerWaalsContact NH2-O 3.12Å; N227-D233 WeakPolarHBondContact CB-OD2 3.36Å; N227-D233 PolarHBondContact ND2-OD2 3.01Å; D230-D233 HydrophobicContact CB-CB 4.48Å; D230-D233 WeakPolarHBondContact O-CA 3.5Å; D230-D233 WeakPolarHBondContact O-CB 3.11Å; D230-D233 PolarHBondContact O-N 2.93Å; P231-D233 VanDerWaalsContact C-N 3.34Å; D233-W235 PolarHBondContact O-N 3.02Å
234	A	65.5	Low	70	Confident	21 Å²	21	83.3 Å²	83.3	17%	0.174	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-64.1	-31.2	173.8	0	0	0	0	0	111.2	D230 P231 E232 L236	D230-A234 PolarHBondContact O-N 3.22Å; P231-A234 WeakPolarHBondContact O-CB 3.3Å; P231-A234 PolarHBondContact O-N 3.48Å; E232-A234 VanDerWaalsContact C-N 3.29Å; E232-A234 PolarHBondContact O-N 3.48Å; A234-L236 PolarHBondContact O-N 3.13Å
235	W	73.6	Confident	71.9	Confident	163 Å²	163	84.5 Å²	84.5	62%	0.617	44%	0.435	S	S	*	.	S	Bend	trans	-87.7	92.1	-176.5	-62.9	77.2	0	0	0	110.4	Q102 D233	Q102-W235 HydrophobicContact CG-CD2 4.36Å; Q102-W235 HydrophobicContact CG-CE3 3.49Å; Q102-W235 VanDerWaalsContact CG-CE3 3.49Å; Q102-W235 HydrophobicContact CG-CH2 4.12Å; Q102-W235 HydrophobicContact CG-CZ3 3.32Å; D233-W235 PolarHBondContact O-N 3.02Å
236	L	83.9	Confident	73.7	Confident	25 Å²	25	84.1 Å²	84.1	13%	0.131	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-76.3	154.8	174.2	-70	169.8	0	0	0	111.5	Q102 E108 R111 A234	Q102-L236 PolarHBondContact NE2-O 2.93Å; E108-L236 HydrophobicContact CB-CB 3.9Å; E108-L236 HydrophobicContact CB-CD1 4.26Å; E108-L236 HydrophobicContact CG-CB 3.99Å; R111-L236 HydrophobicContact CG-CD1 3.66Å; R111-L236 HydrophobicContact CG-CD2 3.75Å; R111-L236 HydrophobicContact CG-CG 4.34Å; A234-L236 PolarHBondContact O-N 3.13Å
237	R	87.8	Confident	75.6	Confident	186 Å²	186	81.4 Å²	81.4	70%	0.702	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-59.7	142.4	170.7	-178	177.7	175.6	-174.4	0.3	109.9	V109	V109-R237 HydrophobicContact CG2-CB 4.36Å; V109-R237 WeakPolarHBondContact CG2-O 3.38Å; V109-R237 PolarHBondContact N-O 3.31Å
238	I	91.4	Very high	77.7	Confident	23 Å²	23	81.7 Å²	81.7	12%	0.118	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.1	171.9	-56.6	-55.4	0	0	0	111	Q102 H105 E108 P240 A255	Q102-I238 HydrophobicContact CB-CD1 4.26Å; H105-I238 HydrophobicContact CB-CD1 4.05Å; H105-I238 HydrophobicContact CB-CG1 4.06Å; E108-I238 HydrophobicContact CG-CD1 4.4Å; I238-P240 WeakPolarHBondContact O-CD 3.28Å; I238-A255 HydrophobicContact CB-CB 4.3Å; I238-A255 HydrophobicContact CG2-CB 3.89Å
239	D	90.8	Very high	79.3	Confident	19 Å²	19	81 Å²	81	10%	0.102	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	111.8	169.8	-173.1	-9.1	0	0	0	109.7	G107 V109 K156 N241 V242	G107-D239 PolarHBondContact O-N 3.14Å; V109-D239 HydrophobicContact CG2-CB 3.81Å; K156-D239 IonicContact NZ-OD2 2.8Å; D239-N241 PolarHBondContact O-N 2.95Å; D239-N241 WeakPolarHBondContact OD1-CB 3.34Å; D239-N241 PolarHBondContact OD1-N 3.13Å; D239-N241 PolarHBondContact OD1-ND2 2.58Å; D239-V242 HydrophobicContact CB-CB 4.26Å; D239-V242 HydrophobicContact CB-CG2 3.67Å; D239-V242 PolarHBondContact O-N 3.19Å; D239-V242 VanDerWaalsContact O-N 3.13Å; D239-V242 WeakPolarHBondContact OD2-CG2 2.96Å
240	P	89.7	Confident	81	Confident	70 Å²	70	81 Å²	81	46%	0.455	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.4	-179.8	29.7	-36.3	0	0	0	113.4	I238 V242 P254	I238-P240 WeakPolarHBondContact O-CD 3.28Å; P240-V242 VanDerWaalsContact C-N 3.27Å; P240-P254 VanDerWaalsContact O-CG 3.25Å; P240-P254 WeakPolarHBondContact O-CG 3.47Å
241	N	89.3	Confident	82.5	Confident	133 Å²	133	82.7 Å²	82.7	71%	0.711	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.8	177.4	-55	-65.1	0	0	0	112.5	D239	D239-N241 PolarHBondContact O-N 2.95Å; D239-N241 WeakPolarHBondContact OD1-CB 3.34Å; D239-N241 PolarHBondContact OD1-N 3.13Å; D239-N241 PolarHBondContact OD1-ND2 2.58Å
242	V	91.1	Very high	83.8	Confident	3 Å²	3	79.4 Å²	79.4	2%	0.018	37%	0.372	C	S	.	.			trans	-99.5	108.3	-177.6	178.4	0	0	0	0	109.6	E146 D239 P240 L244	E146-V242 WeakPolarHBondContact OE1-CG1 3.39Å; E146-V242 WeakPolarHBondContact OE1-CG2 2.83Å; D239-V242 HydrophobicContact CB-CB 4.26Å; D239-V242 HydrophobicContact CB-CG2 3.67Å; D239-V242 PolarHBondContact O-N 3.19Å; D239-V242 VanDerWaalsContact O-N 3.13Å; D239-V242 WeakPolarHBondContact OD2-CG2 2.96Å; P240-V242 VanDerWaalsContact C-N 3.27Å; V242-L244 HydrophobicContact CG1-CD2 3.94Å; V242-L244 HydrophobicContact CG1-CG 4.45Å
243	I	91.3	Very high	85.4	Confident	111 Å²	111	73.9 Å²	73.9	57%	0.569	36%	0.356	S	S	*	.			trans	-98.6	107.3	179.4	-55.2	175	0	0	0	108.5	H247 I248	I243-H247 HydrophobicContact CG2-CB 4.12Å; I243-I248 HydrophobicContact CG2-CD1 4.38Å; I243-I248 HydrophobicContact CG2-CG1 3.83Å
244	L	92.5	Very high	86.7	Confident	1 Å²	1	72 Å²	72	1%	0.005	35%	0.347	C	S	.	.			trans	-82.4	159.8	174	-54.3	177.2	0	0	0	111.6	E100 P103 G106 R134 I143 V242 W246 H247 I248	E100-L244 HydrophobicContact CG-CD1 4.48Å; P103-L244 HydrophobicContact CB-CD1 4.25Å; G106-L244 WeakPolarHBondContact O-CD1 3.18Å; R134-L244 HydrophobicContact CB-CD2 4.25Å; I143-L244 HydrophobicContact CD1-CD1 4.11Å; V242-L244 HydrophobicContact CG1-CD2 3.94Å; V242-L244 HydrophobicContact CG1-CG 4.45Å; L244-W246 PolarHBondContact O-N 3.44Å; L244-W246 VanDerWaalsContact O-N 3.11Å; L244-H247 PolarHBondContact N-ND1 2.81Å; L244-H247 WeakPolarHBondContact O-CB 3.43Å; L244-H247 PolarHBondContact O-N 3.03Å; L244-I248 PolarHBondContact O-N 2.94Å
245	Q	90	Very high	87.8	Confident	105 Å²	105	74 Å²	74	49%	0.491	36%	0.364	S	S	.	.	H	α-helix	trans	-52.3	-36.7	176.9	-171.9	69.3	5.5	0	0	112.4	I143 H247 I248 I249	I143-Q245 VanDerWaalsContact O-CB 3.28Å; I143-Q245 WeakPolarHBondContact O-CB 3.29Å; I143-Q245 PolarHBondContact O-N 3.3Å; Q245-H247 VanDerWaalsContact C-N 3.31Å; Q245-H247 PolarHBondContact O-N 2.8Å; Q245-I248 PolarHBondContact O-N 3.5Å; Q245-I249 HydrophobicContact CG-CD1 3.94Å; Q245-I249 WeakPolarHBondContact O-CG1 3.37Å; Q245-I249 PolarHBondContact O-N 3Å
246	W	85.1	Confident	88.4	Confident	59 Å²	59	68.2 Å²	68.2	22%	0.223	35%	0.351	C	S	.	.	H	α-helix	trans	-55.5	-43.3	176.2	-172.9	102.6	0	0	0	112.9	E104 L244 I249 R250	E104-W246 HydrophobicContact CB-CH2 4.26Å; E104-W246 HydrophobicContact CB-CZ2 3.63Å; E104-W246 WeakPolarHBondContact O-CH2 3.39Å; E104-W246 WeakPolarHBondContact O-CZ2 3.4Å; E104-W246 WeakPolarHBondContact O-CZ3 3.28Å; L244-W246 PolarHBondContact O-N 3.44Å; L244-W246 VanDerWaalsContact O-N 3.11Å; W246-I249 PolarHBondContact O-N 3.17Å; W246-R250 HydrophobicContact CD2-CG 4.43Å; W246-R250 VanDerWaalsContact CE2-NE 3.33Å; W246-R250 VanDerWaalsContact CH2-CD 3.44Å; W246-R250 PolarHBondContact O-N 3.15Å
247	H	89.4	Confident	88.3	Confident	3 Å²	3	76.4 Å²	76.4	1%	0.014	39%	0.386	C	S	.	.	H	α-helix	trans	-68.2	-38.4	-179.7	-62.5	90.3	0	0	0	111.8	G106 I243 L244 Q245 K251 H252	G106-H247 WeakPolarHBondContact CA-CE1 3.37Å; G106-H247 PolarHBondContact N-CE1 3.07Å; G106-H247 PolarHBondContact N-NE2 2.93Å; I243-H247 HydrophobicContact CG2-CB 4.12Å; L244-H247 PolarHBondContact N-ND1 2.81Å; L244-H247 WeakPolarHBondContact O-CB 3.43Å; L244-H247 PolarHBondContact O-N 3.03Å; Q245-H247 VanDerWaalsContact C-N 3.31Å; Q245-H247 PolarHBondContact O-N 2.8Å; H247-K251 WeakPolarHBondContact O-CA 3.25Å; H247-K251 PolarHBondContact O-N 3.39Å; H247-H252 VanDerWaalsContact CB-O 3.28Å; H247-H252 WeakPolarHBondContact CB-O 3.36Å; H247-H252 PolarHBondContact O-N 3.27Å
248	I	88.8	Confident	87.6	Confident	102 Å²	102	72 Å²	72	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-48.5	175.7	-58.8	175.1	0	0	0	109.9	I243 L244 Q245 R250 K251	I243-I248 HydrophobicContact CG2-CD1 4.38Å; I243-I248 HydrophobicContact CG2-CG1 3.83Å; L244-I248 PolarHBondContact O-N 2.94Å; Q245-I248 PolarHBondContact O-N 3.5Å; I248-R250 PolarHBondContact O-N 3.05Å; I248-K251 PolarHBondContact O-N 2.95Å
249	I	87	Confident	86.7	Confident	119 Å²	119	74.3 Å²	74.3	61%	0.61	39%	0.392	S	S	*	.	H	α-helix	trans	-63	-44.7	-179.1	-67.8	168.3	0	0	0	110.9	Q245 W246 K251	Q245-I249 HydrophobicContact CG-CD1 3.94Å; Q245-I249 WeakPolarHBondContact O-CG1 3.37Å; Q245-I249 PolarHBondContact O-N 3Å; W246-I249 PolarHBondContact O-N 3.17Å; I249-K251 VanDerWaalsContact C-N 3.29Å; I249-K251 PolarHBondContact O-N 3.27Å
250	R	84.8	Confident	85.7	Confident	112 Å²	112	83.7 Å²	83.7	42%	0.423	43%	0.432	S	S	.	.	H	α-helix	trans	-80.1	-7.3	-179.6	-70.5	-166.9	175.5	-161.3	2.1	114.3	W246 I248 H252	W246-R250 HydrophobicContact CD2-CG 4.43Å; W246-R250 VanDerWaalsContact CE2-NE 3.33Å; W246-R250 VanDerWaalsContact CH2-CD 3.44Å; W246-R250 PolarHBondContact O-N 3.15Å; I248-R250 PolarHBondContact O-N 3.05Å; R250-H252 HydrophobicContact CB-CB 3.97Å; R250-H252 PolarHBondContact O-N 3.03Å
251	K	85.4	Confident	84.3	Confident	141 Å²	141	88.4 Å²	88.4	61%	0.613	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	44.2	-171.7	-59.7	-177.9	177.6	-179.5	0	111.3	H247 I248 I249	H247-K251 WeakPolarHBondContact O-CA 3.25Å; H247-K251 PolarHBondContact O-N 3.39Å; I248-K251 PolarHBondContact O-N 2.95Å; I249-K251 VanDerWaalsContact C-N 3.29Å; I249-K251 PolarHBondContact O-N 3.27Å
252	H	84.3	Confident	82.7	Confident	34 Å²	34	85.3 Å²	85.3	16%	0.157	43%	0.434	C	S	.	.			trans	-126.9	139.9	-172.5	-177.2	-88	0	0	0	109	H247 R250 A256 F257	H247-H252 VanDerWaalsContact CB-O 3.28Å; H247-H252 WeakPolarHBondContact CB-O 3.36Å; H247-H252 PolarHBondContact O-N 3.27Å; R250-H252 HydrophobicContact CB-CB 3.97Å; R250-H252 PolarHBondContact O-N 3.03Å; H252-A256 PolarHBondContact CE1-O 3.26Å; H252-A256 VanDerWaalsContact CE1-O 3.26Å; H252-F257 PolarHBondContact NE2-O 3.42Å
253	A	88.2	Confident	80.7	Confident	60 Å²	60	90.9 Å²	90.9	50%	0.496	47%	0.473	S	S	.	.			trans	-80.2	141.4	-174.7	0	0	0	0	0	110.4	A256	A253-A256 HydrophobicContact CB-CB 4.47Å; A253-A256 WeakPolarHBondContact O-CB 3.46Å; A253-A256 PolarHBondContact O-N 3.15Å
254	P	90.9	Very high	78.5	Confident	22 Å²	22	96.1 Å²	96.1	14%	0.143	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	153.7	173.7	28.2	-35.6	0	0	0	111	P240 A256	P240-P254 VanDerWaalsContact O-CG 3.25Å; P240-P254 WeakPolarHBondContact O-CG 3.47Å; P254-A256 PolarHBondContact O-N 3.43Å; P254-A256 VanDerWaalsContact O-N 3.15Å
255	A	88.6	Confident	76.3	Confident	62 Å²	62	99.2 Å²	99.2	51%	0.512	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	21.3	-177.5	0	0	0	0	0	114.8	H105 I238	H105-A255 PolarHBondContact O-N 3.39Å; I238-A255 HydrophobicContact CB-CB 4.3Å; I238-A255 HydrophobicContact CG2-CB 3.89Å
256	A	86	Confident	74.2	Confident	42 Å²	42	98.9 Å²	98.9	35%	0.347	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-103.5	150.1	172.8	0	0	0	0	0	110.9	H252 A253 P254	H252-A256 PolarHBondContact CE1-O 3.26Å; H252-A256 VanDerWaalsContact CE1-O 3.26Å; A253-A256 HydrophobicContact CB-CB 4.47Å; A253-A256 WeakPolarHBondContact O-CB 3.46Å; A253-A256 PolarHBondContact O-N 3.15Å; P254-A256 PolarHBondContact O-N 3.43Å; P254-A256 VanDerWaalsContact O-N 3.15Å
257	F	81.8	Confident	72.1	Confident	197 Å²	197	102 Å²	102	86%	0.864	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-73.2	154.5	169.8	-67.8	-75	0	0	0	110.8	H252	H252-F257 PolarHBondContact NE2-O 3.42Å
258	D	74.3	Confident	69.7	Low	95 Å²	95	105 Å²	105	51%	0.508	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-60.1	137.7	170.3	-80.3	-29.4	0	0	0	110.4	K260	D258-K260 PolarHBondContact O-N 3.45Å
259	P	71.4	Confident	67.7	Low	70 Å²	70	107 Å²	107	46%	0.455	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-61.1	137.1	173.2	-15.8	27.1	0	0	0	110	E261 T262	P259-E261 PolarHBondContact O-N 2.82Å; P259-T262 HydrophobicContact CB-CG2 4.09Å; P259-T262 HydrophobicContact CG-CG2 3.96Å; P259-T262 PolarHBondContact O-N 3.06Å; P259-T262 PolarHBondContact O-OG1 3.31Å; P259-T262 VanDerWaalsContact O-OG1 3.05Å
260	K	69.6	Low	65.7	Low	216 Å²	216	105 Å²	105	94%	0.939	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-15.1	-177.3	-70.4	-176.2	177.8	-176.8	0	115.7	D258	D258-K260 PolarHBondContact O-N 3.45Å
261	E	60	Low	63.9	Low	169 Å²	169	101.7 Å²	101.7	79%	0.79	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	13.3	-172.2	-62.3	-171.2	177	0	0	115.1	P259 S263 R264	P259-E261 PolarHBondContact O-N 2.82Å; E261-S263 VanDerWaalsContact C-N 3.32Å; E261-S263 PolarHBondContact O-N 3.45Å; E261-R264 PolarHBondContact O-N 3.24Å
262	T	55.2	Low	62.3	Low	68 Å²	68	99.6 Å²	99.6	42%	0.417	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	8.8	-175.6	47	0	0	0	0	116.8	P259 R264	P259-T262 HydrophobicContact CB-CG2 4.09Å; P259-T262 HydrophobicContact CG-CG2 3.96Å; P259-T262 PolarHBondContact O-N 3.06Å; P259-T262 PolarHBondContact O-OG1 3.31Å; P259-T262 VanDerWaalsContact O-OG1 3.05Å; T262-R264 PolarHBondContact O-N 3.01Å; T262-R264 VanDerWaalsContact O-N 3.15Å
263	S	49.4	Very low	60.6	Low	120 Å²	120	104.5 Å²	104.5	84%	0.839	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-5.1	162.2	55.6	0	0	0	0	112.8	E261	E261-S263 VanDerWaalsContact C-N 3.32Å; E261-S263 PolarHBondContact O-N 3.45Å
264	R	45.3	Very low	58.6	Low	221 Å²	221	107.3 Å²	107.3	83%	0.834	59%	0.587	S	S	*	*	S	Bend	trans	-125.5	93.9	167.1	-64.1	-176.6	-178	166.7	0.8	110.1	E261 T262	E261-R264 PolarHBondContact O-N 3.24Å; T262-R264 PolarHBondContact O-N 3.01Å; T262-R264 VanDerWaalsContact O-N 3.15Å
265	G	46.5	Very low	56.4	Low	66 Å²	66	114 Å²	114	68%	0.68	61%	0.614	S	S	*	*			trans	23.7	106.9	163.1	0	0	0	0	0	117.4	T267	G265-T267 PolarHBondContact O-N 2.82Å
266	I	46.4	Very low	54.4	Low	99 Å²	99	117.3 Å²	117.3	51%	0.508	62%	0.622	S	S	.	*			trans	-0.9	93.2	161.7	-52.4	170.6	0	0	0	112.4	P268	I266-P268 WeakPolarHBondContact O-CD 3.1Å; I266-P268 VanDerWaalsContact O-N 3.14Å
267	T	40.9	Very low	52.5	Low	124 Å²	124	119.4 Å²	119.4	76%	0.761	64%	0.64	S	S	*	*			trans	-66.1	110.8	152.5	45	0	0	0	0	104.6	G265 L269	G265-T267 PolarHBondContact O-N 2.82Å; T267-L269 PolarHBondContact O-N 2.59Å
268	P	39.8	Very low	50.7	Low	66 Å²	66	113.1 Å²	113.1	43%	0.429	62%	0.62	S	S	.	*			trans	-52.6	147.7	174.6	23	-31.9	0	0	0	107.3	I266 V270	I266-P268 WeakPolarHBondContact O-CD 3.1Å; I266-P268 VanDerWaalsContact O-N 3.14Å; P268-V270 VanDerWaalsContact O-CG2 3.28Å; P268-V270 WeakPolarHBondContact O-CG2 3.28Å; P268-V270 PolarHBondContact O-N 3.45Å
269	L	45.1	Very low	49	Very low	144 Å²	144	110.9 Å²	110.9	75%	0.754	62%	0.619	S	S	*	*			trans	-48.6	90.9	159.5	-97.9	141	0	0	0	106.4	T267 S271	T267-L269 PolarHBondContact O-N 2.59Å; L269-S271 PolarHBondContact O-N 2.95Å
270	V	45.7	Very low	47.5	Very low	77 Å²	77	115.1 Å²	115.1	47%	0.467	63%	0.631	S	S	.	*			trans	-56.6	114.8	177	-170	0	0	0	0	101.9	P268 V272 Q274	P268-V270 VanDerWaalsContact O-CG2 3.28Å; P268-V270 WeakPolarHBondContact O-CG2 3.28Å; P268-V270 PolarHBondContact O-N 3.45Å; V270-V272 PolarHBondContact O-N 3.42Å; V270-Q274 HydrophobicContact CG1-CB 3.93Å
271	S	46	Very low	46.2	Very low	43 Å²	43	109 Å²	109	30%	0.301	62%	0.62	S	S	.	*			trans	-41.9	138.6	-163.2	53.2	0	0	0	0	110.3	L269 E273 Q274 K275	L269-S271 PolarHBondContact O-N 2.95Å; S271-E273 WeakPolarHBondContact CB-OE2 3.39Å; S271-E273 CarbonylContact O-C 3.57Å; S271-E273 PolarHBondContact O-N 2.75Å; S271-E273 VanDerWaalsContact O-N 3.08Å; S271-Q274 WeakPolarHBondContact O-CA 3.4Å; S271-Q274 PolarHBondContact O-N 3.08Å; S271-Q274 WeakPolarHBondContact OG-CB 3.47Å; S271-Q274 PolarHBondContact OG-N 2.95Å; S271-K275 PolarHBondContact O-N 3.03Å
272	V	52.6	Low	45.2	Very low	96 Å²	96	103.1 Å²	103.1	58%	0.582	61%	0.605	S	S	*	*	H	α-helix	trans	-53.7	-28.3	169	176.4	0	0	0	0	108.9	V270 K275 L276	V270-V272 PolarHBondContact O-N 3.42Å; V272-K275 CarbonylContact O-C 3.57Å; V272-K275 PolarHBondContact O-N 2.77Å; V272-L276 HydrophobicContact CG1-CD1 3.74Å; V272-L276 HydrophobicContact CG1-CG 4.14Å; V272-L276 VanDerWaalsContact O-CB 3.28Å; V272-L276 WeakPolarHBondContact O-CB 3.41Å; V272-L276 VanDerWaalsContact O-CG 3.27Å; V272-L276 WeakPolarHBondContact O-CG 3Å; V272-L276 PolarHBondContact O-N 2.59Å
273	E	49.3	Very low	44.6	Very low	138 Å²	138	107 Å²	107	65%	0.645	62%	0.617	S	S	*	*	H	α-helix	trans	-58.4	-42.7	165.4	-72.6	76.8	-162	0	0	114.4	S271 L276 A277	S271-E273 WeakPolarHBondContact CB-OE2 3.39Å; S271-E273 CarbonylContact O-C 3.57Å; S271-E273 PolarHBondContact O-N 2.75Å; S271-E273 VanDerWaalsContact O-N 3.08Å; E273-L276 PolarHBondContact O-N 2.71Å; E273-A277 WeakPolarHBondContact O-CA 3.43Å; E273-A277 WeakPolarHBondContact O-CB 3.07Å; E273-A277 PolarHBondContact O-N 3.46Å
274	Q	46.4	Very low	44.5	Very low	118 Å²	118	111.4 Å²	111.4	55%	0.551	62%	0.615	S	S	*	*	H	α-helix	trans	-72.7	-26.1	174.6	-88	-178.8	-18.9	0	0	112.6	V270 S271 S278	V270-Q274 HydrophobicContact CG1-CB 3.93Å; S271-Q274 WeakPolarHBondContact O-CA 3.4Å; S271-Q274 PolarHBondContact O-N 3.08Å; S271-Q274 WeakPolarHBondContact OG-CB 3.47Å; S271-Q274 PolarHBondContact OG-N 2.95Å; Q274-S278 WeakPolarHBondContact O-CA 3.28Å; Q274-S278 WeakPolarHBondContact O-CB 3.27Å; Q274-S278 PolarHBondContact O-N 2.75Å; Q274-S278 PolarHBondContact O-OG 3.23Å
275	K	44	Very low	44.5	Very low	162 Å²	162	109.1 Å²	109.1	70%	0.704	61%	0.611	S	S	*	*	H	α-helix	trans	-78.4	-30.5	170.3	-91.7	-178.1	178.4	174	0	113.3	S271 V272 S278	S271-K275 PolarHBondContact O-N 3.03Å; V272-K275 CarbonylContact O-C 3.57Å; V272-K275 PolarHBondContact O-N 2.77Å; K275-S278 CarbonylContact O-C 3.51Å
276	L	47.4	Very low	44.8	Very low	132 Å²	132	108.8 Å²	108.8	69%	0.691	60%	0.601	S	S	*	*	H	α-helix	trans	-76.4	-39.7	172	-74.7	166.8	0	0	0	111.1	V272 E273	V272-L276 HydrophobicContact CG1-CD1 3.74Å; V272-L276 HydrophobicContact CG1-CG 4.14Å; V272-L276 VanDerWaalsContact O-CB 3.28Å; V272-L276 WeakPolarHBondContact O-CB 3.41Å; V272-L276 VanDerWaalsContact O-CG 3.27Å; V272-L276 WeakPolarHBondContact O-CG 3Å; V272-L276 PolarHBondContact O-N 2.59Å; E273-L276 PolarHBondContact O-N 2.71Å
277	A	45.9	Very low	45.1	Very low	87 Å²	87	111.9 Å²	111.9	72%	0.719	61%	0.611	S	S	*	*	H	α-helix	trans	-73.6	-34	174	0	0	0	0	0	111.8	E273 G279	E273-A277 WeakPolarHBondContact O-CA 3.43Å; E273-A277 WeakPolarHBondContact O-CB 3.07Å; E273-A277 PolarHBondContact O-N 3.46Å; A277-G279 PolarHBondContact O-N 2.93Å
278	S	44.4	Very low	46.3	Very low	65 Å²	65	110 Å²	110	46%	0.455	60%	0.6	S	S	.	*	S	Bend	trans	-81.9	60.2	166.8	68.8	0	0	0	0	110.5	Q274 K275 K280	Q274-S278 WeakPolarHBondContact O-CA 3.28Å; Q274-S278 WeakPolarHBondContact O-CB 3.27Å; Q274-S278 PolarHBondContact O-N 2.75Å; Q274-S278 PolarHBondContact O-OG 3.23Å; K275-S278 CarbonylContact O-C 3.51Å; S278-K280 PolarHBondContact O-N 2.67Å
279	G	37.4	Very low	47.5	Very low	47 Å²	47	112.4 Å²	112.4	49%	0.485	61%	0.609	S	S	.	*			trans	-57.9	67.9	165.5	0	0	0	0	0	112.3	A277 A281 G282	A277-G279 PolarHBondContact O-N 2.93Å; G279-A281 PolarHBondContact O-N 3.22Å; G279-G282 PolarHBondContact O-N 3.32Å
280	K	40.9	Very low	48.5	Very low	159 Å²	159	111.9 Å²	111.9	69%	0.691	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-1.8	167.1	-78	-178.8	178.2	172.4	0	111.9	S278 G282	S278-K280 PolarHBondContact O-N 2.67Å; K280-G282 VanDerWaalsContact C-N 3.27Å
281	A	42.4	Very low	49.4	Very low	88 Å²	88	111.6 Å²	111.6	73%	0.727	60%	0.604	S	S	*	*	H	α-helix	trans	-66.6	-26.8	163.6	0	0	0	0	0	112.5	G279	G279-A281 PolarHBondContact O-N 3.22Å
282	G	38.4	Very low	50.6	Low	46 Å²	46	116.8 Å²	116.8	47%	0.474	62%	0.621	S	S	.	*	H	α-helix	trans	-72.2	-30.9	178.1	0	0	0	0	0	114.3	G279 K280 R284 K285 A286	G279-G282 PolarHBondContact O-N 3.32Å; K280-G282 VanDerWaalsContact C-N 3.27Å; G282-R284 PolarHBondContact O-N 3.16Å; G282-K285 PolarHBondContact O-N 3.15Å; G282-A286 PolarHBondContact O-N 3Å; G282-A286 VanDerWaalsContact O-N 3.16Å
283	K	41.7	Very low	51.5	Low	150 Å²	150	120.8 Å²	120.8	65%	0.652	63%	0.625	S	S	*	*	H	α-helix	trans	-73.4	-27.5	-175.9	-72.4	-171.2	178.6	-176.6	0	113.6	K287	K283-K287 PolarHBondContact O-N 3.46Å; K283-K287 VanDerWaalsContact O-N 3.15Å
284	R	47.7	Very low	52.5	Low	212 Å²	212	123.2 Å²	123.2	80%	0.8	63%	0.629	S	S	*	*	H	α-helix	trans	-69.2	-41.9	175	-80.8	-174.9	168.9	177.8	-2.9	111.6	G282 T288	G282-R284 PolarHBondContact O-N 3.16Å; R284-T288 PolarHBondContact O-N 3.47Å; R284-T288 PolarHBondContact O-OG1 3.27Å
285	K	45.5	Very low	53.7	Low	172 Å²	172	125 Å²	125	75%	0.748	64%	0.635	S	S	*	*	H	α-helix	trans	-67.2	-38.2	174.7	-79.2	-173.4	175.9	179.7	0	112.6	G282 T288 L289	G282-K285 PolarHBondContact O-N 3.15Å; K285-T288 PolarHBondContact O-N 3.12Å; K285-L289 PolarHBondContact O-N 3.03Å
286	A	53.5	Low	55	Low	59 Å²	59	123.2 Å²	123.2	49%	0.488	63%	0.63	S	S	.	*	H	α-helix	trans	-63.7	-42.4	177.9	0	0	0	0	0	113	G282 T288 L289 Q290	G282-A286 PolarHBondContact O-N 3Å; G282-A286 VanDerWaalsContact O-N 3.16Å; A286-T288 VanDerWaalsContact C-N 3.35Å; A286-T288 PolarHBondContact O-N 3Å; A286-L289 PolarHBondContact O-N 3.37Å; A286-Q290 WeakPolarHBondContact O-CB 3.41Å; A286-Q290 PolarHBondContact O-N 3.48Å
287	K	52.7	Low	56.1	Low	164 Å²	164	126.5 Å²	126.5	71%	0.713	63%	0.634	S	S	*	*	H	α-helix	trans	-64.4	-37.5	175.6	-79.4	-171.3	174.7	-173.7	0	112.4	K283 S291	K283-K287 PolarHBondContact O-N 3.46Å; K283-K287 VanDerWaalsContact O-N 3.15Å; K287-S291 PolarHBondContact O-N 2.99Å
288	T	65.5	Low	57	Low	85 Å²	85	131.2 Å²	131.2	52%	0.521	63%	0.633	S	S	.	*	H	α-helix	trans	-70.4	-35.8	177.1	-48.3	0	0	0	0	112.5	R284 K285 A286 S291 K292	R284-T288 PolarHBondContact O-N 3.47Å; R284-T288 PolarHBondContact O-OG1 3.27Å; K285-T288 PolarHBondContact O-N 3.12Å; A286-T288 VanDerWaalsContact C-N 3.35Å; A286-T288 PolarHBondContact O-N 3Å; T288-S291 PolarHBondContact O-OG 3.09Å; T288-S291 VanDerWaalsContact O-OG 3.09Å; T288-K292 PolarHBondContact O-N 3.32Å; T288-K292 VanDerWaalsContact O-N 3.12Å
289	L	64.6	Low	57.8	Low	117 Å²	117	134.5 Å²	134.5	61%	0.613	64%	0.641	S	S	*	*	H	α-helix	trans	-70.6	-38.2	175.7	-135.6	90.2	0	0	0	111.8	K285 A286 K292 R293	K285-L289 PolarHBondContact O-N 3.03Å; A286-L289 PolarHBondContact O-N 3.37Å; L289-K292 PolarHBondContact O-N 3.45Å; L289-R293 PolarHBondContact O-N 3.36Å
290	Q	66.1	Low	58.8	Low	132 Å²	132	139.8 Å²	139.8	62%	0.617	65%	0.65	S	S	*	*	H	α-helix	trans	-69.2	-37	178.2	-163.2	178.6	16.6	0	0	111.9	A286 R293 R294	A286-Q290 WeakPolarHBondContact O-CB 3.41Å; A286-Q290 PolarHBondContact O-N 3.48Å; Q290-R293 PolarHBondContact O-N 3.05Å; Q290-R294 PolarHBondContact O-N 3.46Å
291	S	65.4	Low	59.5	Low	72 Å²	72	138 Å²	138	50%	0.503	65%	0.645	S	S	.	*	H	α-helix	trans	-68.2	-40.4	173.9	75.6	0	0	0	0	112	K287 T288 R294 K295	K287-S291 PolarHBondContact O-N 2.99Å; T288-S291 PolarHBondContact O-OG 3.09Å; T288-S291 VanDerWaalsContact O-OG 3.09Å; S291-R294 PolarHBondContact O-N 3.44Å; S291-K295 PolarHBondContact O-N 2.94Å
292	K	70.9	Confident	60	Low	152 Å²	152	141.8 Å²	141.8	66%	0.661	64%	0.641	S	S	*	*	H	α-helix	trans	-60.9	-43.7	171.9	-97.5	-173	173	-176.8	0	112.3	T288 L289 K295 M296	T288-K292 PolarHBondContact O-N 3.32Å; T288-K292 VanDerWaalsContact O-N 3.12Å; L289-K292 PolarHBondContact O-N 3.45Å; K292-K295 PolarHBondContact O-N 2.97Å; K292-M296 PolarHBondContact O-N 2.98Å; K292-M296 VanDerWaalsContact O-N 3.08Å
293	R	71.3	Confident	60.7	Low	179 Å²	179	142.9 Å²	142.9	68%	0.675	65%	0.646	S	S	*	*	H	α-helix	trans	-64.1	-40.7	176.1	-82.9	-179.1	134.2	-179.5	-3.9	112.7	L289 Q290 R297	L289-R293 PolarHBondContact O-N 3.36Å; Q290-R293 PolarHBondContact O-N 3.05Å; R293-R297 PolarHBondContact O-N 3.23Å
294	R	71.3	Confident	61.2	Low	190 Å²	190	142.3 Å²	142.3	72%	0.717	65%	0.65	S	S	*	*	H	α-helix	trans	-64.7	-39.3	175	-98.7	-178.3	154.3	-176	-6.1	112.3	Q290 S291 R297 R298	Q290-R294 PolarHBondContact O-N 3.46Å; S291-R294 PolarHBondContact O-N 3.44Å; R294-R297 PolarHBondContact O-N 3.5Å; R294-R298 PolarHBondContact O-N 3.08Å; R294-R298 VanDerWaalsContact O-N 3.1Å
295	K	70.8	Confident	61.2	Low	156 Å²	156	138.3 Å²	138.3	68%	0.678	64%	0.64	S	S	*	*	H	α-helix	trans	-66.4	-41.3	177.9	-155.4	175.2	-177	-178.4	0	111.9	S291 K292 R298 Q299	S291-K295 PolarHBondContact O-N 2.94Å; K292-K295 PolarHBondContact O-N 2.97Å; K295-R298 PolarHBondContact O-N 3.35Å; K295-Q299 PolarHBondContact O-N 3.1Å; K295-Q299 VanDerWaalsContact O-N 3.09Å
296	M	71	Confident	61.2	Low	124 Å²	124	138.7 Å²	138.7	61%	0.611	64%	0.644	S	S	*	*	H	α-helix	trans	-67.3	-37.6	174.2	-79.5	-151.2	-74.5	0	0	113.7	K292 R298 Q299 K300	K292-M296 PolarHBondContact O-N 2.98Å; K292-M296 VanDerWaalsContact O-N 3.08Å; M296-R298 VanDerWaalsContact C-N 3.34Å; M296-Q299 PolarHBondContact O-N 3.09Å; M296-K300 PolarHBondContact O-N 3.41Å
297	R	71.1	Confident	60.5	Low	201 Å²	201	143.5 Å²	143.5	76%	0.758	66%	0.659	S	S	*	*	H	α-helix	trans	-65.2	-37.1	175.3	-75.6	-178.1	90.3	174.8	6.3	112.2	R293 R294 K300 H301	R293-R297 PolarHBondContact O-N 3.23Å; R294-R297 PolarHBondContact O-N 3.5Å; R297-K300 PolarHBondContact O-N 3.07Å; R297-H301 PolarHBondContact O-N 3.42Å
298	R	64.9	Low	59.9	Low	186 Å²	186	144.5 Å²	144.5	70%	0.702	67%	0.666	S	S	*	*	H	α-helix	trans	-65.4	-45.4	174.2	-80.2	-178.7	144	-175.4	-7.9	112	R294 K295 M296 K300 H301 Y302	R294-R298 PolarHBondContact O-N 3.08Å; R294-R298 VanDerWaalsContact O-N 3.1Å; K295-R298 PolarHBondContact O-N 3.35Å; M296-R298 VanDerWaalsContact C-N 3.34Å; R298-K300 VanDerWaalsContact C-N 3.31Å; R298-K300 PolarHBondContact O-N 3.38Å; R298-H301 PolarHBondContact O-N 3.13Å; R298-H301 VanDerWaalsContact O-N 3.1Å; R298-Y302 VanDerWaalsContact O-CD2 3.29Å; R298-Y302 WeakPolarHBondContact O-CD2 3.5Å; R298-Y302 PolarHBondContact O-N 3.45Å
299	Q	60.7	Low	58.7	Low	133 Å²	133	146.4 Å²	146.4	62%	0.621	68%	0.68	S	S	*	*	H	α-helix	trans	-61.1	-37.4	176.3	-96	177.7	-22.6	0	0	113.2	K295 M296 H301 A303	K295-Q299 PolarHBondContact O-N 3.1Å; K295-Q299 VanDerWaalsContact O-N 3.09Å; M296-Q299 PolarHBondContact O-N 3.09Å; Q299-H301 VanDerWaalsContact C-N 3.3Å; Q299-H301 PolarHBondContact O-N 3.17Å; Q299-A303 WeakPolarHBondContact O-CB 3.29Å; Q299-A303 PolarHBondContact O-N 3.1Å; Q299-A303 VanDerWaalsContact O-N 3.13Å
300	K	58.3	Low	57.3	Low	158 Å²	158	148.9 Å²	148.9	69%	0.687	69%	0.69	S	S	*	*	H	α-helix	trans	-66.4	-29.3	174.1	-76	-169	175	-165.9	0	113.7	M296 R297 R298 N304	M296-K300 PolarHBondContact O-N 3.41Å; R297-K300 PolarHBondContact O-N 3.07Å; R298-K300 VanDerWaalsContact C-N 3.31Å; R298-K300 PolarHBondContact O-N 3.38Å; K300-N304 PolarHBondContact O-N 3.37Å
301	H	54.7	Low	56	Low	123 Å²	123	151.7 Å²	151.7	57%	0.569	70%	0.704	S	S	*	*	H	α-helix	trans	-73.7	-44.3	177.5	-126.8	-81.7	0	0	0	111.4	R297 R298 Q299 A303 N304 E305	R297-H301 PolarHBondContact O-N 3.42Å; R298-H301 PolarHBondContact O-N 3.13Å; R298-H301 VanDerWaalsContact O-N 3.1Å; Q299-H301 VanDerWaalsContact C-N 3.3Å; Q299-H301 PolarHBondContact O-N 3.17Å; H301-A303 VanDerWaalsContact C-N 3.33Å; H301-A303 PolarHBondContact O-N 3.43Å; H301-N304 PolarHBondContact O-N 3.43Å; H301-E305 IonicContact CE1-OE1 3.72Å; H301-E305 IonicContact ND1-OE1 2.75Å; H301-E305 PolarHBondContact ND1-OE1 3.18Å; H301-E305 PolarHBondContact O-N 3.03Å
302	Y	54.6	Low	54.7	Low	167 Å²	167	155.9 Å²	155.9	66%	0.655	72%	0.717	S	S	*	*	H	α-helix	trans	-64.3	-36.1	176.4	-77.7	-74.7	0	0	0	112.8	R298 N304 E305	R298-Y302 VanDerWaalsContact O-CD2 3.29Å; R298-Y302 WeakPolarHBondContact O-CD2 3.5Å; R298-Y302 PolarHBondContact O-N 3.45Å; Y302-N304 VanDerWaalsContact C-N 3.27Å; Y302-N304 PolarHBondContact O-N 3.2Å; Y302-E305 PolarHBondContact O-N 3.4Å
303	A	52.6	Low	53	Low	69 Å²	69	152.6 Å²	152.6	57%	0.57	72%	0.719	S	S	*	*	H	α-helix	trans	-69.7	-20.9	176.5	0	0	0	0	0	114	Q299 H301	Q299-A303 WeakPolarHBondContact O-CB 3.29Å; Q299-A303 PolarHBondContact O-N 3.1Å; Q299-A303 VanDerWaalsContact O-N 3.13Å; H301-A303 VanDerWaalsContact C-N 3.33Å; H301-A303 PolarHBondContact O-N 3.43Å
304	N	51.6	Low	51.2	Low	137 Å²	137	151.9 Å²	151.9	73%	0.733	72%	0.723	S	S	*	*	H	α-helix	trans	-91.9	-19.1	176.9	-92.3	15	0	0	0	113.1	K300 H301 Y302	K300-N304 PolarHBondContact O-N 3.37Å; H301-N304 PolarHBondContact O-N 3.43Å; Y302-N304 VanDerWaalsContact C-N 3.27Å; Y302-N304 PolarHBondContact O-N 3.2Å
305	E	48.3	Very low	49.7	Very low	129 Å²	129	151.8 Å²	151.8	60%	0.603	73%	0.73	S	S	*	*	H	α-helix	trans	-87.3	-18.4	179.6	-79.3	171	-158	0	0	113.1	H301 Y302 M307	H301-E305 IonicContact CE1-OE1 3.72Å; H301-E305 IonicContact ND1-OE1 2.75Å; H301-E305 PolarHBondContact ND1-OE1 3.18Å; H301-E305 PolarHBondContact O-N 3.03Å; Y302-E305 PolarHBondContact O-N 3.4Å; E305-M307 VanDerWaalsContact C-N 3.28Å; E305-M307 PolarHBondContact O-N 3.34Å
306	E	45.6	Very low	48.2	Very low	179 Å²	179	151.5 Å²	151.5	84%	0.836	74%	0.736	S	S	*	*	S	Bend	trans	-82.6	8.6	177.6	-86	-175.1	168.9	0	0	115.1
307	M	39.4	Very low	46.9	Very low	161 Å²	161	150.8 Å²	150.8	79%	0.793	74%	0.74	S	S	*	*			trans	-132.9	67.7	176.8	-83.5	-159.2	61.7	0	0	112.6	E305	E305-M307 VanDerWaalsContact C-N 3.28Å; E305-M307 PolarHBondContact O-N 3.34Å
308	Q	39.9	Very low	45.4	Very low	184 Å²	184	149.6 Å²	149.6	86%	0.86	75%	0.747	S	S	*	*	S	Bend	trans	-134.9	126.6	145.6	-72.8	-163.4	-12	0	0	110.4
309	P	39.9	Very low	44.3	Very low	126 Å²	126	149.1 Å²	149.1	82%	0.818	75%	0.753	S	S	*	*			trans	-77.2	145.9	-168.5	31.6	-33.6	0	0	0	112	E311	P309-E311 PolarHBondContact O-N 3.09Å; P309-E311 VanDerWaalsContact O-N 3.09Å
310	M	34.8	Very low	43	Very low	168 Å²	168	147 Å²	147	83%	0.828	75%	0.753	S	S	*	*			trans	-57	96.2	175.1	-169.5	-174.8	-39.3	0	0	111.2	M312	M310-M312 HydrophobicContact CG-CG 4.28Å
311	E	38	Very low	41.8	Very low	192 Å²	192	146.8 Å²	146.8	90%	0.897	76%	0.759	S	S	*	*			trans	-89.2	105.2	163.5	-143	170.2	-157.5	0	0	106.9	P309	P309-E311 PolarHBondContact O-N 3.09Å; P309-E311 VanDerWaalsContact O-N 3.09Å
312	M	38.4	Very low	40.9	Very low	159 Å²	159	147.8 Å²	147.8	78%	0.783	77%	0.773	S	S	*	*			trans	-69	136.1	-178.2	-69.9	-138.6	-53.4	0	0	110.8	M310	M310-M312 HydrophobicContact CG-CG 4.28Å
313	A	35.1	Very low	40.2	Very low	84 Å²	84	153.3 Å²	153.3	69%	0.694	80%	0.801	S	S	*	*			trans	-43.1	155.5	153.8	0	0	0	0	0	110.8
314	E	35.3	Very low	39.6	Very low	164 Å²	164	157.5 Å²	157.5	77%	0.766	81%	0.813	S	S	*	*				168.4	141.1	60.8	-158.8	168.6	-158.3	0	0	105.5
315	E	39.3	Very low	39	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.874	82%	0.817	S	S	*	*			trans	172.2	86.8	154	-99.7	173	-157.2	0	0	106.7
316	L	38.4	Very low	38.5	Very low	151 Å²	151	160.2 Å²	160.2	79%	0.791	83%	0.829	S	S	*	*				75.5	147.2	86.2	-74.8	179.5	0	0	0	115.1
317	P	45.1	Very low	38.1	Very low	109 Å²	109	159.1 Å²	159.1	71%	0.708	83%	0.829	S	S	*	*			trans	-101.3	159.9	-137.4	38.6	-35.4	0	0	0	114.5
318	I	39.8	Very low	38	Very low	175 Å²	175	159 Å²	159	90%	0.897	83%	0.831	S	S	*	*			trans	-85.9	109.1	175.1	-60.2	165.5	0	0	0	108
319	E	40.3	Very low	37.8	Very low	177 Å²	177	157.3 Å²	157.3	83%	0.827	83%	0.829	S	S	*	*			trans	-91.6	123.2	166.8	-85	-175.7	160.2	0	0	111.1
320	S	34	Very low	37.7	Very low	89 Å²	89	159.6 Å²	159.6	62%	0.622	83%	0.83	S	S	*	*			trans	15.8	132.9	144.6	57.5	0	0	0	0	122.5
321	D	33.4	Very low	37.9	Very low	152 Å²	152	158.9 Å²	158.9	81%	0.813	83%	0.83	S	S	*	*				52.4	111.3	129.6	-59.8	-22.4	0	0	0	120.5
322	V	35.9	Very low	37.9	Very low	144 Å²	144	156.2 Å²	156.2	87%	0.873	82%	0.824	S	S	*	*				-145.7	136.2	129.9	-175.3	0	0	0	0	108.8
323	F	40.2	Very low	37.9	Very low	283 Å²	283	155.9 Å²	155.9	100%	1.241	83%	0.828	S	S	*	*			trans	-35.1	0	176.8	-75.5	-92.3	0	0	0	118

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