A0A077ZGL8_TRITR Loading...

limulus clotting factor C

AlphaFold DB , UniProt , Accession A0A077ZGL8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 656 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	43.5	Very low	37.9	Very low	231 Å²	231	142.2 Å²	142.2	100%	1.138	84%	0.839	S	S	*	*				0	75.6	0	-68.8	171	58.5	0	0	106
2	S	41.7	Very low	37.2	Very low	102 Å²	102	141.8 Å²	141.8	71%	0.713	84%	0.838	S	S	*	*				76.2	96.4	96.6	62	0	0	0	0	110.3
3	V	40.1	Very low	36.9	Very low	117 Å²	117	138.2 Å²	138.2	71%	0.709	83%	0.834	S	S	*	*				104.5	103.9	85.8	157.3	0	0	0	0	106
4	E	37.1	Very low	36.6	Very low	159 Å²	159	139.7 Å²	139.7	74%	0.743	83%	0.828	S	S	*	*				79.1	139.4	98.1	-105.1	162.5	-162.9	0	0	109.9
5	E	38.9	Very low	36.3	Very low	172 Å²	172	139 Å²	139	80%	0.804	83%	0.831	S	S	*	*			cis	-170.5	167.9	14.2	-153.3	171.2	173.3	0	0	108.3
6	M	36.1	Very low	36.5	Very low	186 Å²	186	144.3 Å²	144.3	92%	0.916	83%	0.831	S	S	*	*			trans	-72.6	150.8	-178.2	-63.9	157	150.1	0	0	113.4
7	A	38.4	Very low	36.8	Very low	104 Å²	104	146.7 Å²	146.7	86%	0.86	83%	0.833	S	S	*	*			trans	-171.8	130.4	134	0	0	0	0	0	111.8
8	A	35.3	Very low	37.1	Very low	93 Å²	93	142.3 Å²	142.3	77%	0.769	81%	0.806	S	S	*	*			trans	-97.4	-169.8	170.6	0	0	0	0	0	110.2
9	P	38.1	Very low	37.2	Very low	125 Å²	125	144.2 Å²	144.2	81%	0.812	80%	0.799	S	S	*	*				-110.3	159.3	-102.8	33.5	-16.4	0	0	0	113.7
10	A	33.5	Very low	37.6	Very low	106 Å²	106	142.6 Å²	142.6	88%	0.876	80%	0.795	S	S	*	*			trans	-111	116.5	174.2	0	0	0	0	0	112.5
11	L	33.7	Very low	38.1	Very low	169 Å²	169	142.9 Å²	142.9	89%	0.885	79%	0.791	S	S	*	*			trans	-55.3	142.3	-178.1	-73.5	139.5	0	0	0	115.2	A13	L11-A13 PolarHBondContact O-N 2.94Å
12	V	29.5	Very low	38.4	Very low	137 Å²	137	136.4 Å²	136.4	83%	0.83	76%	0.758	S	S	*	*			trans	-55.7	110	161.1	178.2	0	0	0	0	108.9	E14	V12-E14 PolarHBondContact O-N 3.46Å
13	A	33.3	Very low	38.9	Very low	96 Å²	96	132.3 Å²	132.3	79%	0.793	73%	0.73	S	S	*	*			trans	-79.9	102.3	174.3	0	0	0	0	0	109.8	L11 C15	L11-A13 PolarHBondContact O-N 2.94Å; A13-C15 PolarHBondContact O-N 3.27Å
14	E	32.9	Very low	40	Very low	159 Å²	159	131.9 Å²	131.9	74%	0.743	73%	0.728	S	S	*	*			trans	-53.1	128.8	171.1	-67.9	172.5	145.2	0	0	111.8	V12 R16	V12-E14 PolarHBondContact O-N 3.46Å; E14-R16 VanDerWaalsContact C-N 3.3Å; E14-R16 PolarHBondContact O-N 2.8Å
15	C	32.7	Very low	41.7	Very low	129 Å²	129	131 Å²	131	87%	0.872	72%	0.722	S	S	*	*			trans	-60.2	90.6	161.5	-78.3	0	0	0	0	109.5	A13 H17	A13-C15 PolarHBondContact O-N 3.27Å; C15-H17 PolarHBondContact O-N 3.15Å; C15-H17 VanDerWaalsContact O-N 3.16Å
16	R	40.1	Very low	43.7	Very low	223 Å²	223	124.6 Å²	124.6	84%	0.842	69%	0.69	S	S	*	*			trans	-64.4	114.8	168.1	-76.3	-175.6	174.6	-175.3	-0.9	109.2	E14 I18	E14-R16 VanDerWaalsContact C-N 3.3Å; E14-R16 PolarHBondContact O-N 2.8Å; R16-I18 PolarHBondContact O-N 3.08Å
17	H	40.1	Very low	46.1	Very low	186 Å²	186	118.5 Å²	118.5	86%	0.861	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-48.4	118.2	167.6	-77.4	-80.9	0	0	0	110.6	C15 R19	C15-H17 PolarHBondContact O-N 3.15Å; C15-H17 VanDerWaalsContact O-N 3.16Å; H17-R19 PolarHBondContact O-N 3.22Å
18	I	42.3	Very low	48.6	Very low	67 Å²	67	115.5 Å²	115.5	34%	0.344	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-61.8	127.5	169.7	-62.8	174.1	0	0	0	107.6	R16 E22	R16-I18 PolarHBondContact O-N 3.08Å; I18-E22 HydrophobicContact CG2-CB 3.85Å
19	R	40.3	Very low	51.3	Low	178 Å²	178	111.1 Å²	111.1	67%	0.672	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-60.3	136.6	175	-62.7	-177.4	-159.6	-178.7	5.7	108.8	H17 E21 E22	H17-R19 PolarHBondContact O-N 3.22Å; R19-E21 PolarHBondContact O-N 2.87Å; R19-E22 PolarHBondContact O-N 3.31Å
20	P	44.8	Very low	53.7	Low	112 Å²	112	107.2 Å²	107.2	73%	0.727	57%	0.574	S	S	*	*	H	α-helix	trans	-49.3	-31.8	179.3	-28.2	34.1	0	0	0	114.1	E22 A23 T24	P20-E22 PolarHBondContact O-N 3.39Å; P20-A23 PolarHBondContact O-N 3.31Å; P20-T24 PolarHBondContact O-N 3.18Å; P20-T24 PolarHBondContact O-OG1 3.42Å
21	E	47.9	Very low	56.2	Low	149 Å²	149	103.2 Å²	103.2	70%	0.696	54%	0.54	S	S	*	.	H	α-helix	trans	-62.8	-31.4	178.2	-66.4	-178.6	162	0	0	114.6	R19 T24	R19-E21 PolarHBondContact O-N 2.87Å; E21-T24 VanDerWaalsContact C-OG1 3.26Å; E21-T24 WeakPolarHBondContact CA-OG1 2.81Å; E21-T24 PolarHBondContact O-OG1 2.84Å
22	E	50.7	Low	58.5	Low	95 Å²	95	101.1 Å²	101.1	44%	0.444	52%	0.524	S	S	.	.	H	α-helix	trans	-76.6	-32.2	178.3	-73.9	-173.9	-177.9	0	0	111.9	I18 R19 P20 T24 K25 N84	I18-E22 HydrophobicContact CG2-CB 3.85Å; R19-E22 PolarHBondContact O-N 3.31Å; P20-E22 PolarHBondContact O-N 3.39Å; E22-T24 VanDerWaalsContact C-N 3.3Å; E22-T24 PolarHBondContact O-N 3.44Å; E22-K25 WeakPolarHBondContact O-CB 3.42Å; E22-K25 PolarHBondContact O-N 3.48Å; E22-N84 PolarHBondContact OE2-ND2 2.78Å
23	A	51.8	Low	60.8	Low	16 Å²	16	97.5 Å²	97.5	13%	0.132	50%	0.497	C	S	.	.	H	α-helix	trans	-71.4	-26.2	178.3	0	0	0	0	0	112.8	P20 K25 P82	P20-A23 PolarHBondContact O-N 3.31Å; A23-K25 VanDerWaalsContact C-N 3.33Å; A23-P82 HydrophobicContact CB-CB 3.91Å
24	T	61.6	Low	62.5	Low	108 Å²	108	97 Å²	97	66%	0.663	49%	0.486	S	S	*	.	H	α-helix	trans	-74	-19.9	174.7	37	0	0	0	0	113.8	P20 E21 E22 Y26	P20-T24 PolarHBondContact O-N 3.18Å; P20-T24 PolarHBondContact O-OG1 3.42Å; E21-T24 VanDerWaalsContact C-OG1 3.26Å; E21-T24 WeakPolarHBondContact CA-OG1 2.81Å; E21-T24 PolarHBondContact O-OG1 2.84Å; E22-T24 VanDerWaalsContact C-N 3.3Å; E22-T24 PolarHBondContact O-N 3.44Å; T24-Y26 VanDerWaalsContact C-N 3.29Å; T24-Y26 PolarHBondContact O-N 3.25Å
25	K	74	Confident	64.1	Low	142 Å²	142	90.2 Å²	90.2	62%	0.617	45%	0.454	S	S	*	.	S	Bend	trans	-67	-29.6	-179	-172.1	175.1	177.7	179.4	0	113.2	E22 A23	E22-K25 WeakPolarHBondContact O-CB 3.42Å; E22-K25 PolarHBondContact O-N 3.48Å; A23-K25 VanDerWaalsContact C-N 3.33Å
26	Y	79.9	Confident	65	Low	36 Å²	36	85.1 Å²	85.1	14%	0.141	42%	0.419	C	S	.	.	S	Bend	trans	-131	76.9	-176	-58	-65.7	0	0	0	110.6	T24 R79 Y159	T24-Y26 VanDerWaalsContact C-N 3.29Å; T24-Y26 PolarHBondContact O-N 3.25Å; Y26-R79 PolarHBondContact O-NH1 3.03Å; Y26-Y159 HydrophobicContact CD2-CD2 4.3Å; Y26-Y159 HydrophobicContact CG-CD2 4.31Å
27	P	86.6	Confident	65.4	Low	59 Å²	59	75.4 Å²	75.4	38%	0.383	39%	0.387	S	S	.	.			trans	-61.4	145.4	172.3	23.6	-28.9	0	0	0	110.4	V30	P27-V30 HydrophobicContact CB-CG2 4.07Å; P27-V30 HydrophobicContact CG-CB 3.91Å; P27-V30 HydrophobicContact CG-CG1 4.37Å; P27-V30 HydrophobicContact CG-CG2 3.78Å
28	C	92	Very high	65.3	Low	41 Å²	41	69.5 Å²	69.5	28%	0.277	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	154.8	173.8	63.8	0	0	0	0	110.5	V30 P165 C167	C28-V30 PolarHBondContact O-N 2.8Å; C28-P165 CarbonylContact C-O 3.5Å; C28-P165 WeakPolarHBondContact CA-O 3.49Å; C28-P165 HydrophobicContact CB-CG 4.24Å; C28-C167 HydrophobicContact CB-CB 3.99Å; C28-C167 WeakPolarHBondContact CB-SG 3.45Å; C28-C167 PolarHBondContact O-SG 3.32Å; C28-C167 WeakPolarHBondContact SG-CA 3.32Å; C28-C167 WeakPolarHBondContact SG-CB 3.46Å; C28-C167 CovalentContact SG-SG 2.05Å; C28-C167 PolarHBondContact SG-SG 2.73Å
29	G	91.4	Very high	65	Low	0 Å²	0	67 Å²	67	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	10.6	173.7	0	0	0	0	0	114.5	P165 S255 F256	G29-P165 PolarHBondContact N-O 3.44Å; G29-S255 CarbonylContact O-C 3.19Å; G29-S255 WeakPolarHBondContact O-CA 3.15Å; G29-F256 VanDerWaalsContact CA-O 3.28Å; G29-F256 WeakPolarHBondContact CA-O 3.25Å; G29-F256 WeakPolarHBondContact O-CD2 3.26Å; G29-F256 PolarHBondContact O-N 3.44Å
30	V	89.5	Confident	64.7	Low	43 Å²	43	60.8 Å²	60.8	26%	0.261	34%	0.336	S	S	.	.			trans	-116	112.1	179.4	-179	0	0	0	0	109.8	P27 C28 R164	P27-V30 HydrophobicContact CB-CG2 4.07Å; P27-V30 HydrophobicContact CG-CB 3.91Å; P27-V30 HydrophobicContact CG-CG1 4.37Å; P27-V30 HydrophobicContact CG-CG2 3.78Å; C28-V30 PolarHBondContact O-N 2.8Å; V30-R164 VanDerWaalsContact O-CD 3.29Å; V30-R164 WeakPolarHBondContact O-CD 3.3Å; V30-R164 PolarHBondContact O-NH1 3.06Å; V30-R164 VanDerWaalsContact O-NH1 3.13Å
31	S	85.3	Confident	64.1	Low	22 Å²	22	58.6 Å²	58.6	15%	0.154	31%	0.313	C	S	.	.			trans	-81.6	146.6	170.7	-174.8	0	0	0	0	111	F33 S52	S31-F33 VanDerWaalsContact C-N 3.28Å; S31-F33 VanDerWaalsContact CB-O 3.28Å; S31-F33 WeakPolarHBondContact CB-O 3.19Å; S31-F33 PolarHBondContact OG-N 3.29Å; S31-F33 VanDerWaalsContact OG-N 3.1Å; S31-F33 PolarHBondContact OG-O 3.49Å; S31-S52 WeakPolarHBondContact CB-O 3.22Å; S31-S52 WeakPolarHBondContact OG-CA 3.37Å; S31-S52 PolarHBondContact OG-O 3.35Å
32	K	81.7	Confident	63.4	Low	126 Å²	126	54.6 Å²	54.6	55%	0.548	30%	0.296	S	S	.	.	S	Bend	trans	-71.8	-29.5	167	-177.9	176.2	179.6	-170.9	0	111.3	D161	K32-D161 HydrophobicContact CB-CB 4.35Å; K32-D161 HydrophobicContact CD-CB 3.66Å; K32-D161 VanDerWaalsContact CD-OD1 3.3Å; K32-D161 WeakPolarHBondContact CD-OD1 3.18Å; K32-D161 WeakPolarHBondContact CD-OD2 3.3Å; K32-D161 WeakPolarHBondContact CE-OD2 3.41Å; K32-D161 IonicContact NZ-OD2 3.61Å; K32-D161 PolarHBondContact NZ-OD2 3.1Å
33	F	78.9	Confident	62.6	Low	61 Å²	61	52.2 Å²	52.2	27%	0.268	29%	0.29	S	S	.	.	S	Bend	trans	-102.9	141	-175	-54.2	-89.8	0	0	0	109.7	S31 I35 H51 D161	S31-F33 VanDerWaalsContact C-N 3.28Å; S31-F33 VanDerWaalsContact CB-O 3.28Å; S31-F33 WeakPolarHBondContact CB-O 3.19Å; S31-F33 PolarHBondContact OG-N 3.29Å; S31-F33 VanDerWaalsContact OG-N 3.1Å; S31-F33 PolarHBondContact OG-O 3.49Å; F33-I35 PolarHBondContact O-N 2.72Å; F33-H51 HydrophobicContact CD2-CB 3.39Å; F33-H51 HydrophobicContact CE2-CB 3.39Å; F33-H51 HydrophobicContact CG-CB 4.09Å; F33-H51 HydrophobicContact CZ-CB 4.1Å; F33-H51 AromaticContact CZ-CD2 3.9Å; F33-D161 HydrophobicContact CE2-CB 3.97Å; F33-D161 WeakPolarHBondContact CE2-O 3.37Å; F33-D161 HydrophobicContact CZ-CB 4.4Å
34	P	67.8	Low	62.6	Low	86 Å²	86	53.4 Å²	53.4	56%	0.558	29%	0.294	S	S	*	.			trans	-54.7	131.9	175.3	-23.1	32.8	0	0	0	111	T36 A49 S52	P34-T36 PolarHBondContact O-N 2.91Å; P34-A49 VanDerWaalsContact O-CB 3.29Å; P34-A49 WeakPolarHBondContact O-CB 3.39Å; P34-S52 WeakPolarHBondContact O-CB 3.34Å
35	I	67	Low	62.3	Low	15 Å²	15	49.1 Å²	49.1	8%	0.077	27%	0.271	C	S	.	.	S	Bend	trans	-64.1	-31.6	177.9	-67.6	-164.8	0	0	0	111.8	F33 A37 L53 W55 M203 F256	F33-I35 PolarHBondContact O-N 2.72Å; I35-A37 PolarHBondContact O-N 2.94Å; I35-L53 HydrophobicContact CD1-CD2 3.86Å; I35-L53 HydrophobicContact CG1-CD2 4.17Å; I35-L53 HydrophobicContact CG2-CD2 4.01Å; I35-W55 HydrophobicContact CD1-CH2 3.79Å; I35-W55 HydrophobicContact CD1-CZ2 3.71Å; I35-M203 HydrophobicContact CG2-CE 3.96Å; I35-M203 HydrophobicContact CG2-SD 3.29Å; I35-M203 WeakPolarHBondContact CG2-SD 3.48Å; I35-F256 HydrophobicContact CD1-CD1 4.29Å; I35-F256 HydrophobicContact CD1-CD2 3.43Å; I35-F256 VanDerWaalsContact CD1-CD2 3.43Å; I35-F256 HydrophobicContact CD1-CE1 4.03Å; I35-F256 HydrophobicContact CD1-CE2 3.13Å; I35-F256 HydrophobicContact CD1-CG 4.01Å; I35-F256 HydrophobicContact CD1-CZ 3.46Å; I35-F256 VanDerWaalsContact CD1-CZ 3.46Å; I35-F256 HydrophobicContact CG1-CE2 4.07Å; I35-F256 HydrophobicContact CG1-CZ 4.41Å
36	T	52.4	Low	61.8	Low	23 Å²	23	44.5 Å²	44.5	14%	0.141	25%	0.25	C	S	.	.	S	Bend	trans	-83.6	111.3	176.2	51	0	0	0	0	110.2	P34 T520	P34-T36 PolarHBondContact O-N 2.91Å; T36-T520 PolarHBondContact O-OG1 3.47Å; T36-T520 WeakPolarHBondContact OG1-CG2 3.34Å; T36-T520 PolarHBondContact OG1-OG1 3.44Å
37	A	46.7	Very low	61.5	Low	19 Å²	19	44.6 Å²	44.6	16%	0.157	25%	0.252	C	S	.	.			trans	-82.2	154.4	170.9	0	0	0	0	0	111.2	I35 A49	I35-A37 PolarHBondContact O-N 2.94Å; A37-A49 HydrophobicContact CB-CB 3.61Å
38	P	38.3	Very low	61	Low	62 Å²	62	41.9 Å²	41.9	40%	0.403	23%	0.234	S	C	.	.	S	Bend	trans	-70.8	124.3	159.9	1	18.6	0	0	0	109.2	I521	P38-I521 HydrophobicContact CB-CD1 3.42Å; P38-I521 VanDerWaalsContact CB-CD1 3.42Å; P38-I521 HydrophobicContact CB-CG1 3.36Å; P38-I521 HydrophobicContact CG-CD1 3.07Å; P38-I521 HydrophobicContact CG-CG1 3.38Å
39	G	37.6	Very low	60.1	Low	15 Å²	15	40.7 Å²	40.7	16%	0.155	23%	0.228	C	C	.	.			trans	28.2	107.1	163.5	0	0	0	0	0	121.2	E523	G39-E523 WeakPolarHBondContact CA-OE1 3.46Å; G39-E523 PolarHBondContact N-OE1 3.04Å
40	N	32.4	Very low	59.4	Low	47 Å²	47	42.8 Å²	42.8	25%	0.251	24%	0.237	S	C	.	.			trans	-164	136	130.2	-139.9	-6.7	0	0	0	115.9	E47 R366	N40-E47 PolarHBondContact O-N 3.34Å; N40-R366 VanDerWaalsContact CG-CZ 3.42Å; N40-R366 PolarHBondContact ND2-NH2 3.07Å; N40-R366 PolarHBondContact OD1-NE 2.82Å; N40-R366 PolarHBondContact OD1-NH2 3.26Å
41	R	33.7	Very low	59.1	Low	66 Å²	66	41.3 Å²	41.3	25%	0.249	23%	0.227	C	C	.	.			trans	14.2	116.6	148.1	-82.7	143.9	-147.3	-147.6	5.3	116.5	G363 M364 N365	R41-G363 VanDerWaalsContact CZ-C 3.44Å; R41-G363 PolarHBondContact NH1-O 2.68Å; R41-G363 PolarHBondContact NH2-O 2.98Å; R41-G363 VanDerWaalsContact NH2-O 3.1Å; R41-M364 WeakPolarHBondContact CG-O 3.19Å; R41-N365 WeakPolarHBondContact CA-ND2 3.44Å; R41-N365 HydrophobicContact CG-CB 3.84Å; R41-N365 VanDerWaalsContact CZ-O 3.26Å; R41-N365 PolarHBondContact N-ND2 3.28Å; R41-N365 VanDerWaalsContact N-ND2 3.19Å; R41-N365 VanDerWaalsContact NE-N 3.1Å; R41-N365 PolarHBondContact NE-O 2.79Å; R41-N365 PolarHBondContact NH2-O 2.78Å
42	I	32.6	Very low	59.2	Low	64 Å²	64	40.2 Å²	40.2	33%	0.328	22%	0.219	S	C	.	.	S	Bend		-161.2	151.7	70.7	-53.2	-161	0	0	0	110.3	N44 G45 T189	I42-N44 PolarHBondContact O-N 3.3Å; I42-G45 PolarHBondContact O-N 3.35Å; I42-G45 VanDerWaalsContact O-N 3.1Å; I42-T189 HydrophobicContact CB-CG2 4.14Å; I42-T189 HydrophobicContact CD1-CG2 3.93Å; I42-T189 WeakPolarHBondContact CD1-OG1 3.05Å; I42-T189 HydrophobicContact CG1-CG2 4.3Å; I42-T189 HydrophobicContact CG2-CG2 4.38Å
43	S	33.7	Very low	59.7	Low	46 Å²	46	34.6 Å²	34.6	32%	0.322	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-13.8	110.1	-178.4	-150.6	0	0	0	0	115.8	G45	S43-G45 VanDerWaalsContact C-N 3.29Å; S43-G45 PolarHBondContact O-N 2.93Å
44	N	51.8	Low	60.4	Low	40 Å²	40	31.8 Å²	31.8	21%	0.214	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	10	173.2	-76.7	-50.7	0	0	0	118.1	I42 V204 N235 D236 R237	I42-N44 PolarHBondContact O-N 3.3Å; N44-V204 WeakPolarHBondContact O-CG2 3.04Å; N44-N235 PolarHBondContact ND2-O 3.42Å; N44-N235 VanDerWaalsContact ND2-O 3.13Å; N44-D236 VanDerWaalsContact CB-C 3.4Å; N44-D236 HydrophobicContact CB-CB 4.13Å; N44-D236 WeakPolarHBondContact CB-O 3.48Å; N44-D236 WeakPolarHBondContact ND2-CB 3.49Å; N44-R237 HydrophobicContact CB-CB 4.27Å; N44-R237 HydrophobicContact CB-CG 3.46Å; N44-R237 VanDerWaalsContact CB-CG 3.46Å; N44-R237 VanDerWaalsContact OD1-CG 3.23Å; N44-R237 WeakPolarHBondContact OD1-CG 3.17Å; N44-R237 PolarHBondContact OD1-NE 2.86Å; N44-R237 VanDerWaalsContact OD1-NE 3.13Å
45	G	54.7	Low	61.7	Low	19 Å²	19	27.7 Å²	27.7	20%	0.196	16%	0.156	C	C	.	.			trans	-140.6	-175.7	161.6	0	0	0	0	0	111.7	I42 S43 M203	I42-G45 PolarHBondContact O-N 3.35Å; I42-G45 VanDerWaalsContact O-N 3.1Å; S43-G45 VanDerWaalsContact C-N 3.29Å; S43-G45 PolarHBondContact O-N 2.93Å; G45-M203 CarbonylContact C-O 3.56Å; G45-M203 VanDerWaalsContact CA-O 3.31Å; G45-M203 WeakPolarHBondContact CA-O 3.21Å
46	W	63.6	Low	63.1	Low	45 Å²	45	27 Å²	27	17%	0.17	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.2	173.3	58.4	94.8	0	0	0	110.7	A48 Y182 L202 M203 D205	W46-A48 PolarHBondContact O-N 2.9Å; W46-Y182 AromaticContact CH2-CD1 3.92Å; W46-Y182 HydrophobicContact CH2-CD1 3.92Å; W46-Y182 AromaticContact CH2-CE1 3.84Å; W46-Y182 HydrophobicContact CH2-CE1 3.84Å; W46-Y182 AromaticContact CZ2-CD1 3.91Å; W46-Y182 HydrophobicContact CZ2-CD1 3.91Å; W46-Y182 AromaticContact CZ2-CE1 3.84Å; W46-Y182 HydrophobicContact CZ2-CE1 3.84Å; W46-L202 CarbonylContact O-C 3.57Å; W46-L202 WeakPolarHBondContact O-CA 3.35Å; W46-M203 HydrophobicContact CZ2-CG 4.2Å; W46-M203 HydrophobicContact CZ2-SD 4.48Å; W46-M203 PolarHBondContact N-O 2.94Å; W46-M203 PolarHBondContact O-N 3Å; W46-D205 HydrophobicContact CH2-CB 3.88Å; W46-D205 HydrophobicContact CZ3-CB 4.28Å; W46-D205 WeakPolarHBondContact CZ3-OD1 3.32Å
47	E	73.1	Confident	65.2	Low	37 Å²	37	26 Å²	26	17%	0.173	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	125.7	166.9	-174.7	-178.3	157.5	0	0	109.4	N40 H117 K200 L202	N40-E47 PolarHBondContact O-N 3.34Å; E47-H117 IonicContact OE1-CD2 3.58Å; E47-H117 IonicContact OE1-CE1 3.95Å; E47-H117 IonicContact OE1-NE2 2.81Å; E47-H117 PolarHBondContact OE1-NE2 2.89Å; E47-K200 VanDerWaalsContact CD-NZ 3.27Å; E47-K200 HydrophobicContact CG-CB 4.22Å; E47-K200 HydrophobicContact CG-CD 4.14Å; E47-K200 WeakPolarHBondContact OE1-CD 3.35Å; E47-K200 IonicContact OE1-NZ 3.03Å; E47-K200 PolarHBondContact OE1-NZ 2.85Å; E47-K200 WeakPolarHBondContact OE2-CD 3.43Å; E47-K200 IonicContact OE2-NZ 3.87Å; E47-K200 PolarHBondContact OE2-NZ 3.46Å; E47-L202 HydrophobicContact CB-CD2 4.21Å
48	A	76.4	Confident	67.5	Low	2 Å²	2	25.7 Å²	25.7	2%	0.017	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-57.4	148.3	176.5	0	0	0	0	0	109.8	W46 K50 L53 H117 L201 M203	W46-A48 PolarHBondContact O-N 2.9Å; A48-K50 PolarHBondContact O-N 3.22Å; A48-L53 HydrophobicContact CB-CD1 3.77Å; A48-L53 HydrophobicContact CB-CG 4.36Å; A48-H117 PolarHBondContact O-CE1 2.82Å; A48-L201 HydrophobicContact CB-CB 4.39Å; A48-L201 HydrophobicContact CB-CD2 4.14Å; A48-L201 HydrophobicContact CB-CG 3.97Å; A48-L201 PolarHBondContact N-O 3.17Å; A48-M203 HydrophobicContact CB-CB 4.32Å
49	A	73	Confident	70.2	Confident	17 Å²	17	22.8 Å²	22.8	14%	0.14	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-62	139.6	170.9	0	0	0	0	0	108.3	P34 A37 H51 S52	P34-A49 VanDerWaalsContact O-CB 3.29Å; P34-A49 WeakPolarHBondContact O-CB 3.39Å; A37-A49 HydrophobicContact CB-CB 3.61Å; A49-H51 PolarHBondContact O-N 2.94Å; A49-S52 PolarHBondContact N-OG 2.97Å; A49-S52 WeakPolarHBondContact O-CB 3.49Å; A49-S52 PolarHBondContact O-N 3.19Å; A49-S52 PolarHBondContact O-OG 3.47Å
50	K	77.6	Confident	72.8	Confident	44 Å²	44	23.3 Å²	23.3	19%	0.191	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	129.2	177.4	-165.5	-176.8	60.9	155.9	0	109.7	A48 S52 Y310 E315	A48-K50 PolarHBondContact O-N 3.22Å; K50-S52 PolarHBondContact O-N 3.47Å; K50-S52 VanDerWaalsContact O-N 3.09Å; K50-Y310 HydrophobicContact CD-CD1 3.64Å; K50-Y310 HydrophobicContact CD-CE1 4.18Å; K50-Y310 WeakPolarHBondContact CD-O 3.05Å; K50-Y310 HydrophobicContact CG-CD1 3.86Å; K50-Y310 PolarHBondContact NZ-O 2.99Å; K50-E315 IonicContact NZ-OE1 2.71Å; K50-E315 PolarHBondContact NZ-OE1 2.68Å; K50-E315 IonicContact NZ-OE2 3.15Å; K50-E315 PolarHBondContact NZ-OE2 2.81Å
51	H	82.9	Confident	75.8	Confident	11 Å²	11	21.2 Å²	21.2	5%	0.051	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	5.1	-177.9	-43	-54.1	0	0	0	116.1	F33 A49 L53 E309 Y310	F33-H51 HydrophobicContact CD2-CB 3.39Å; F33-H51 HydrophobicContact CE2-CB 3.39Å; F33-H51 HydrophobicContact CG-CB 4.09Å; F33-H51 HydrophobicContact CZ-CB 4.1Å; F33-H51 AromaticContact CZ-CD2 3.9Å; A49-H51 PolarHBondContact O-N 2.94Å; H51-L53 PolarHBondContact O-N 3.19Å; H51-E309 VanDerWaalsContact CE1-CG 3.48Å; H51-E309 WeakPolarHBondContact CE1-CG 3.12Å; H51-E309 WeakPolarHBondContact NE2-CG 3.3Å; H51-E309 IonicContact NE2-OE1 3.76Å; H51-Y310 PolarHBondContact CE1-O 3.39Å; H51-Y310 VanDerWaalsContact CE1-O 3.31Å; H51-Y310 PolarHBondContact NE2-O 3.4Å
52	S	87.1	Confident	78.6	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-73.9	-16.9	-174.2	79.4	0	0	0	0	114.1	S31 P34 A49 K50 P54	S31-S52 WeakPolarHBondContact CB-O 3.22Å; S31-S52 WeakPolarHBondContact OG-CA 3.37Å; S31-S52 PolarHBondContact OG-O 3.35Å; P34-S52 WeakPolarHBondContact O-CB 3.34Å; A49-S52 PolarHBondContact N-OG 2.97Å; A49-S52 WeakPolarHBondContact O-CB 3.49Å; A49-S52 PolarHBondContact O-N 3.19Å; A49-S52 PolarHBondContact O-OG 3.47Å; K50-S52 PolarHBondContact O-N 3.47Å; K50-S52 VanDerWaalsContact O-N 3.09Å; S52-P54 WeakPolarHBondContact O-CD 3.26Å
53	L	92	Very high	81.3	Confident	8 Å²	8	20.2 Å²	20.2	4%	0.042	11%	0.109	C	C	.	.			trans	-117.6	66.5	177.7	-56.8	176.9	0	0	0	110.4	I35 A48 H51 W55 H56 L201 M203	I35-L53 HydrophobicContact CD1-CD2 3.86Å; I35-L53 HydrophobicContact CG1-CD2 4.17Å; I35-L53 HydrophobicContact CG2-CD2 4.01Å; A48-L53 HydrophobicContact CB-CD1 3.77Å; A48-L53 HydrophobicContact CB-CG 4.36Å; H51-L53 PolarHBondContact O-N 3.19Å; L53-W55 HydrophobicContact CD2-CZ2 3.86Å; L53-W55 PolarHBondContact O-N 3.33Å; L53-H56 HydrophobicContact CB-CB 4.06Å; L53-H56 WeakPolarHBondContact O-CB 3.49Å; L53-H56 PolarHBondContact O-N 2.83Å; L53-L201 HydrophobicContact CB-CD2 4.14Å; L53-L201 HydrophobicContact CD1-CD2 3.96Å; L53-L201 HydrophobicContact CD1-CG 4.42Å; L53-M203 HydrophobicContact CD1-CB 4.4Å; L53-M203 HydrophobicContact CD1-CE 3.66Å; L53-M203 HydrophobicContact CD1-SD 4.05Å; L53-M203 HydrophobicContact CD2-CE 3.33Å; L53-M203 HydrophobicContact CD2-SD 4.05Å; L53-M203 HydrophobicContact CG-CE 4.12Å
54	P	93.4	Very high	84.1	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.8	-171.3	32.3	-40	0	0	0	113.7	S52 Y162 T163 R164	S52-P54 WeakPolarHBondContact O-CD 3.26Å; P54-Y162 VanDerWaalsContact CA-O 3.3Å; P54-Y162 WeakPolarHBondContact CA-O 3.27Å; P54-Y162 VanDerWaalsContact CB-C 3.44Å; P54-Y162 WeakPolarHBondContact CB-O 3.43Å; P54-T163 WeakPolarHBondContact O-CA 2.99Å; P54-R164 CarbonylContact C-O 3.36Å; P54-R164 VanDerWaalsContact C-O 3.26Å; P54-R164 HydrophobicContact CB-CB 4Å; P54-R164 HydrophobicContact CB-CG 4.2Å; P54-R164 HydrophobicContact CG-CB 3.86Å; P54-R164 HydrophobicContact CG-CG 4.24Å; P54-R164 PolarHBondContact O-N 2.87Å; P54-R164 VanDerWaalsContact O-O 3.09Å
55	W	96.1	Very high	86	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-18.9	173.7	46.4	79.9	0	0	0	113.6	I35 L53 V57 S76 L77 R164 V166 F256	I35-W55 HydrophobicContact CD1-CH2 3.79Å; I35-W55 HydrophobicContact CD1-CZ2 3.71Å; L53-W55 HydrophobicContact CD2-CZ2 3.86Å; L53-W55 PolarHBondContact O-N 3.33Å; W55-V57 PolarHBondContact O-N 3.21Å; W55-S76 CarbonylContact O-C 3.54Å; W55-S76 VanDerWaalsContact O-CA 3.3Å; W55-S76 WeakPolarHBondContact O-CA 3.27Å; W55-L77 PolarHBondContact O-N 3.21Å; W55-R164 WeakPolarHBondContact CA-O 2.93Å; W55-R164 WeakPolarHBondContact CB-O 3.29Å; W55-R164 PolarHBondContact N-O 2.93Å; W55-R164 VanDerWaalsContact N-O 3.14Å; W55-V166 HydrophobicContact CB-CB 3.83Å; W55-V166 HydrophobicContact CB-CG1 4.35Å; W55-V166 HydrophobicContact CD2-CB 4.03Å; W55-V166 HydrophobicContact CD2-CG2 4.47Å; W55-V166 HydrophobicContact CE3-CB 4.5Å; W55-V166 HydrophobicContact CG-CB 3.71Å; W55-V166 HydrophobicContact CG-CG2 4.47Å; W55-F256 HydrophobicContact CH2-CB 3.95Å; W55-F256 AromaticContact CH2-CD2 3.85Å; W55-F256 HydrophobicContact CH2-CD2 3.85Å; W55-F256 HydrophobicContact CH2-CG 4.11Å; W55-F256 HydrophobicContact CZ2-CB 3.96Å; W55-F256 HydrophobicContact CZ2-CD2 4.25Å; W55-F256 HydrophobicContact CZ2-CG 4.13Å
56	H	95.9	Very high	87.7	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.4	-179.4	-169.7	100.9	0	0	0	109.7	L53 S184 L201 P247	L53-H56 HydrophobicContact CB-CB 4.06Å; L53-H56 WeakPolarHBondContact O-CB 3.49Å; L53-H56 PolarHBondContact O-N 2.83Å; H56-S184 PolarHBondContact CE1-O 3.47Å; H56-S184 PolarHBondContact ND1-OG 3.07Å; H56-L201 HydrophobicContact CB-CD2 4.22Å; H56-P247 WeakPolarHBondContact ND1-CD 3.35Å
57	V	96.4	Very high	88.9	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.5	173.1	-54.7	0	0	0	0	111	W55 G74 G75 L77 V89 V112 V113 V114	W55-V57 PolarHBondContact O-N 3.21Å; V57-G74 CarbonylContact O-C 3.55Å; V57-G74 WeakPolarHBondContact O-CA 3.47Å; V57-G75 VanDerWaalsContact CG2-C 3.45Å; V57-G75 PolarHBondContact N-O 3.39Å; V57-G75 PolarHBondContact O-N 2.89Å; V57-L77 HydrophobicContact CG1-CD1 4.27Å; V57-L77 HydrophobicContact CG1-CD2 3.92Å; V57-L77 HydrophobicContact CG1-CG 3.62Å; V57-V89 HydrophobicContact CG2-CG1 3.67Å; V57-V89 HydrophobicContact CG2-CG2 4.27Å; V57-V112 HydrophobicContact CB-CG1 3.66Å; V57-V112 HydrophobicContact CG1-CG1 4.03Å; V57-V112 HydrophobicContact CG2-CG1 3.77Å; V57-V113 WeakPolarHBondContact CA-O 3.43Å; V57-V113 WeakPolarHBondContact CB-O 3.49Å; V57-V114 HydrophobicContact CG1-CG1 3.9Å
58	F	94.6	Very high	89.4	Confident	14 Å²	14	35.6 Å²	35.6	6%	0.061	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.1	173	177.5	-108.8	0	0	0	109.3	M60 Q72 V112 V113 V116 R119	F58-M60 HydrophobicContact CD1-CG 3.87Å; F58-M60 HydrophobicContact CD1-SD 4.39Å; F58-M60 HydrophobicContact CE1-CG 3.22Å; F58-M60 HydrophobicContact CE1-SD 3.3Å; F58-M60 WeakPolarHBondContact CE1-SD 3.3Å; F58-M60 HydrophobicContact CE2-SD 4.32Å; F58-M60 HydrophobicContact CZ-CG 3.84Å; F58-M60 HydrophobicContact CZ-SD 3.24Å; F58-M60 WeakPolarHBondContact CZ-SD 3.25Å; F58-Q72 HydrophobicContact CE2-CB 3.75Å; F58-Q72 HydrophobicContact CE2-CG 4.43Å; F58-Q72 HydrophobicContact CZ-CB 3.82Å; F58-V112 CarbonylContact O-C 3.59Å; F58-V112 WeakPolarHBondContact O-CA 3.46Å; F58-V113 HydrophobicContact CB-CB 4.23Å; F58-V113 HydrophobicContact CD1-CB 4.48Å; F58-V113 HydrophobicContact CD1-CG2 4.07Å; F58-V113 PolarHBondContact N-O 3.02Å; F58-V113 PolarHBondContact O-N 2.68Å; F58-V116 HydrophobicContact CB-CG1 3.78Å; F58-V116 HydrophobicContact CB-CG2 4.47Å; F58-R119 HydrophobicContact CD1-CG 4.47Å; F58-R119 HydrophobicContact CD2-CG 4.46Å; F58-R119 HydrophobicContact CE1-CG 4.46Å; F58-R119 VanDerWaalsContact CE2-CD 3.4Å; F58-R119 HydrophobicContact CE2-CG 4.5Å; F58-R119 HydrophobicContact CG-CG 4.45Å; F58-R119 HydrophobicContact CZ-CG 4.49Å
59	L	95.4	Very high	89.8	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.5	179.9	173.8	62.9	0	0	0	109.8	M61 Q72 C73 T91 C95 V96 V112 L151	L59-M61 HydrophobicContact CD2-SD 3.77Å; L59-M61 HydrophobicContact CG-CE 4.33Å; L59-M61 HydrophobicContact CG-CG 4.37Å; L59-M61 HydrophobicContact CG-SD 3.84Å; L59-Q72 WeakPolarHBondContact O-CA 3.4Å; L59-C73 HydrophobicContact CB-CB 4.26Å; L59-C73 HydrophobicContact CD2-CB 4.33Å; L59-C73 PolarHBondContact N-O 2.9Å; L59-C73 PolarHBondContact O-N 3.1Å; L59-T91 HydrophobicContact CD2-CG2 4Å; L59-C95 HydrophobicContact CD2-CB 4.27Å; L59-V96 HydrophobicContact CD2-CG1 4.35Å; L59-V112 HydrophobicContact CD1-CG2 3.8Å; L59-L151 HydrophobicContact CD1-CD2 4.19Å; L59-L151 HydrophobicContact CD2-CD2 4.06Å
60	M	93.4	Very high	90.4	Very high	27 Å²	27	45.4 Å²	45.4	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.7	172.3	-73.7	-64.7	-66.2	0	0	110.4	F58 Y62 Q72 M110 V111	F58-M60 HydrophobicContact CD1-CG 3.87Å; F58-M60 HydrophobicContact CD1-SD 4.39Å; F58-M60 HydrophobicContact CE1-CG 3.22Å; F58-M60 HydrophobicContact CE1-SD 3.3Å; F58-M60 WeakPolarHBondContact CE1-SD 3.3Å; F58-M60 HydrophobicContact CE2-SD 4.32Å; F58-M60 HydrophobicContact CZ-CG 3.84Å; F58-M60 HydrophobicContact CZ-SD 3.24Å; F58-M60 WeakPolarHBondContact CZ-SD 3.25Å; M60-Y62 HydrophobicContact CB-CE2 4.06Å; M60-Y62 HydrophobicContact CE-CD1 4.43Å; M60-Y62 HydrophobicContact CE-CE1 3.95Å; M60-Q72 HydrophobicContact SD-CB 3.81Å; M60-M110 WeakPolarHBondContact O-CA 3.03Å; M60-V111 PolarHBondContact N-O 2.83Å; M60-V111 PolarHBondContact O-N 3.24Å
61	M	93.8	Very high	90.9	Very high	2 Å²	2	48 Å²	48	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	99	173.9	-62.9	125.2	-40.4	0	0	108.4	L59 G70 E71 C73 C95 M110	L59-M61 HydrophobicContact CD2-SD 3.77Å; L59-M61 HydrophobicContact CG-CE 4.33Å; L59-M61 HydrophobicContact CG-CG 4.37Å; L59-M61 HydrophobicContact CG-SD 3.84Å; M61-G70 CarbonylContact O-C 3.58Å; M61-G70 WeakPolarHBondContact O-CA 3.19Å; M61-E71 HydrophobicContact CE-CB 3.82Å; M61-E71 WeakPolarHBondContact CE-O 3.26Å; M61-E71 PolarHBondContact N-O 3.34Å; M61-E71 PolarHBondContact O-N 3.29Å; M61-C73 HydrophobicContact CE-CB 4.13Å; M61-C95 HydrophobicContact CE-CB 4.5Å; M61-C95 VanDerWaalsContact SD-C 3.53Å; M61-C95 HydrophobicContact SD-CB 3.95Å; M61-M110 HydrophobicContact CG-CE 4.42Å; M61-M110 HydrophobicContact CG-CG 4.01Å
62	Y	93.4	Very high	91.1	Very high	17 Å²	17	49.8 Å²	49.8	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.9	-173.5	-65.6	-74.4	0	0	0	112.4	M60 S64 E67 R69 R109 V111	M60-Y62 HydrophobicContact CB-CE2 4.06Å; M60-Y62 HydrophobicContact CE-CD1 4.43Å; M60-Y62 HydrophobicContact CE-CE1 3.95Å; Y62-S64 PolarHBondContact O-N 3.49Å; Y62-E67 VanDerWaalsContact CD1-CA 3.42Å; Y62-E67 HydrophobicContact CD1-CB 3.82Å; Y62-E67 HydrophobicContact CD1-CG 4.27Å; Y62-E67 HydrophobicContact CD2-CB 4.01Å; Y62-E67 HydrophobicContact CD2-CG 3.62Å; Y62-E67 HydrophobicContact CE1-CB 3.74Å; Y62-E67 HydrophobicContact CE1-CG 4.43Å; Y62-E67 VanDerWaalsContact CE1-O 3.22Å; Y62-E67 WeakPolarHBondContact CE1-O 3.44Å; Y62-E67 HydrophobicContact CE2-CB 3.96Å; Y62-E67 HydrophobicContact CE2-CG 3.81Å; Y62-E67 HydrophobicContact CG-CB 3.94Å; Y62-E67 HydrophobicContact CG-CG 3.86Å; Y62-R69 WeakPolarHBondContact CA-O 3.28Å; Y62-R69 WeakPolarHBondContact CD1-O 3.34Å; Y62-R109 WeakPolarHBondContact CD2-O 3.25Å; Y62-R109 PolarHBondContact N-O 3.49Å; Y62-R109 WeakPolarHBondContact O-CB 3.17Å; Y62-R109 WeakPolarHBondContact O-CD 3.46Å; Y62-V111 HydrophobicContact CD2-CG2 4.33Å; Y62-V111 HydrophobicContact CE2-CB 4.12Å; Y62-V111 HydrophobicContact CE2-CG2 3.8Å
63	D	89.7	Confident	91.4	Very high	92 Å²	92	50.1 Å²	50.1	49%	0.492	24%	0.238	S	C	.	.	S	Bend	trans	-72.8	-24	179.3	-59.6	-31.5	0	0	0	111.7	R69 R109	D63-R69 PolarHBondContact N-O 2.79Å; D63-R109 PolarHBondContact O-NH1 3.46Å
64	S	92.4	Very high	91.5	Very high	36 Å²	36	49.8 Å²	49.8	25%	0.252	24%	0.237	S	C	.	.	S	Bend	trans	-147.4	159.6	-177.1	78.8	0	0	0	0	112.3	Y62 E66 E67	Y62-S64 PolarHBondContact O-N 3.49Å; S64-E66 WeakPolarHBondContact CB-OE2 3.25Å; S64-E66 PolarHBondContact O-N 3.38Å; S64-E66 VanDerWaalsContact O-N 3.16Å; S64-E66 PolarHBondContact OG-OE2 2.8Å; S64-E67 PolarHBondContact O-N 3.04Å
65	P	90.3	Very high	91.7	Very high	84 Å²	84	49.8 Å²	49.8	55%	0.545	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.4	179.1	-23.8	35.7	0	0	0	114.8	E67	P65-E67 PolarHBondContact O-N 3.37Å
66	E	90.5	Very high	91.8	Very high	119 Å²	119	49.8 Å²	49.8	56%	0.556	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-5.1	177.5	-57.5	74.2	-157.2	0	0	113.3	S64 R68	S64-E66 WeakPolarHBondContact CB-OE2 3.25Å; S64-E66 PolarHBondContact O-N 3.38Å; S64-E66 VanDerWaalsContact O-N 3.16Å; S64-E66 PolarHBondContact OG-OE2 2.8Å; E66-R68 VanDerWaalsContact C-N 3.25Å; E66-R68 HydrophobicContact CB-CG 4.1Å; E66-R68 WeakPolarHBondContact O-CG 3.39Å; E66-R68 PolarHBondContact O-N 3.31Å; E66-R68 VanDerWaalsContact O-N 3.15Å
67	E	89	Confident	91.9	Very high	55 Å²	55	49.8 Å²	49.8	26%	0.257	24%	0.237	S	C	.	.			trans	53.9	34.7	174.2	-60.8	-170.6	177.9	0	0	114.7	Y62 S64 P65 R128	Y62-E67 VanDerWaalsContact CD1-CA 3.42Å; Y62-E67 HydrophobicContact CD1-CB 3.82Å; Y62-E67 HydrophobicContact CD1-CG 4.27Å; Y62-E67 HydrophobicContact CD2-CB 4.01Å; Y62-E67 HydrophobicContact CD2-CG 3.62Å; Y62-E67 HydrophobicContact CE1-CB 3.74Å; Y62-E67 HydrophobicContact CE1-CG 4.43Å; Y62-E67 VanDerWaalsContact CE1-O 3.22Å; Y62-E67 WeakPolarHBondContact CE1-O 3.44Å; Y62-E67 HydrophobicContact CE2-CB 3.96Å; Y62-E67 HydrophobicContact CE2-CG 3.81Å; Y62-E67 HydrophobicContact CG-CB 3.94Å; Y62-E67 HydrophobicContact CG-CG 3.86Å; S64-E67 PolarHBondContact O-N 3.04Å; P65-E67 PolarHBondContact O-N 3.37Å; E67-R128 IonicContact OE1-CZ 2.94Å; E67-R128 VanDerWaalsContact OE1-CZ 3.26Å; E67-R128 IonicContact OE1-NH1 3.06Å; E67-R128 PolarHBondContact OE1-NH1 2.63Å; E67-R128 IonicContact OE1-NH2 3.05Å; E67-R128 PolarHBondContact OE1-NH2 3.01Å
68	R	84.1	Confident	91.9	Very high	216 Å²	216	49.8 Å²	49.8	82%	0.815	24%	0.237	S	C	*	.	S	Bend	trans	-89.2	-36.1	-177.7	-63.7	-175.5	-179.9	179.5	0.2	114	E66	E66-R68 VanDerWaalsContact C-N 3.25Å; E66-R68 HydrophobicContact CB-CG 4.1Å; E66-R68 WeakPolarHBondContact O-CG 3.39Å; E66-R68 PolarHBondContact O-N 3.31Å; E66-R68 VanDerWaalsContact O-N 3.15Å
69	R	85.5	Confident	91.7	Very high	199 Å²	199	50.9 Å²	50.9	75%	0.751	24%	0.241	S	C	*	.			trans	-142	152.7	-177.1	-68.1	-175.4	-178.1	165.9	0.3	109.4	Y62 D63	Y62-R69 WeakPolarHBondContact CA-O 3.28Å; Y62-R69 WeakPolarHBondContact CD1-O 3.34Å; D63-R69 PolarHBondContact N-O 2.79Å
70	G	85.2	Confident	91.4	Very high	27 Å²	27	52.9 Å²	52.9	28%	0.278	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	171.1	179.3	0	0	0	0	0	111.4	M61	M61-G70 CarbonylContact O-C 3.58Å; M61-G70 WeakPolarHBondContact O-CA 3.19Å
71	E	86.8	Confident	91	Very high	97 Å²	97	58.5 Å²	58.5	45%	0.453	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	151.4	170.7	-65.5	-175.8	179.2	0	0	109.9	M61 H105	M61-E71 HydrophobicContact CE-CB 3.82Å; M61-E71 WeakPolarHBondContact CE-O 3.26Å; M61-E71 PolarHBondContact N-O 3.34Å; M61-E71 PolarHBondContact O-N 3.29Å; E71-H105 IonicContact OE2-CE1 3.81Å; E71-H105 IonicContact OE2-NE2 2.94Å
72	Q	88.1	Confident	90.3	Very high	50 Å²	50	63.1 Å²	63.1	23%	0.234	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.5	-178.3	71.9	-174.4	6.5	0	0	110.5	F58 L59 M60 T197	F58-Q72 HydrophobicContact CE2-CB 3.75Å; F58-Q72 HydrophobicContact CE2-CG 4.43Å; F58-Q72 HydrophobicContact CZ-CB 3.82Å; L59-Q72 WeakPolarHBondContact O-CA 3.4Å; M60-Q72 HydrophobicContact SD-CB 3.81Å; Q72-T197 VanDerWaalsContact NE2-CB 3.35Å; Q72-T197 PolarHBondContact NE2-OG1 3.45Å; Q72-T197 VanDerWaalsContact NE2-OG1 3.1Å
73	C	93.5	Very high	89.9	Confident	6 Å²	6	63.2 Å²	63.2	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	165.2	173.9	-81.5	0	0	0	0	110.4	L59 M61 C95 S244	L59-C73 HydrophobicContact CB-CB 4.26Å; L59-C73 HydrophobicContact CD2-CB 4.33Å; L59-C73 PolarHBondContact N-O 2.9Å; L59-C73 PolarHBondContact O-N 3.1Å; M61-C73 HydrophobicContact CE-CB 4.13Å; C73-C95 HydrophobicContact CB-CB 3.69Å; C73-C95 WeakPolarHBondContact CB-SG 3.16Å; C73-C95 WeakPolarHBondContact SG-CB 3.42Å; C73-C95 CovalentContact SG-SG 2.02Å; C73-C95 PolarHBondContact SG-SG 2.86Å; C73-S244 CarbonylContact C-O 3.5Å; C73-S244 VanDerWaalsContact CA-O 3.3Å; C73-S244 WeakPolarHBondContact CA-O 3.07Å; C73-S244 WeakPolarHBondContact CB-O 3.43Å
74	G	94.4	Very high	89.8	Confident	2 Å²	2	60.4 Å²	60.4	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	178.3	161.3	0	0	0	0	0	112.1	V57 T91 S244 G245	V57-G74 CarbonylContact O-C 3.55Å; V57-G74 WeakPolarHBondContact O-CA 3.47Å; G74-T91 PolarHBondContact O-OG1 2.64Å; G74-S244 PolarHBondContact N-O 3.17Å; G74-G245 CarbonylContact C-O 3.36Å; G74-G245 CarbonylContact O-C 3.48Å
75	G	97.2	Very high	89.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	-179.9	170.7	0	0	0	0	0	110.6	V57 L90 G245	V57-G75 VanDerWaalsContact CG2-C 3.45Å; V57-G75 PolarHBondContact N-O 3.39Å; V57-G75 PolarHBondContact O-N 2.89Å; G75-L90 CarbonylContact C-O 3.53Å; G75-L90 VanDerWaalsContact CA-O 3.23Å; G75-L90 WeakPolarHBondContact CA-O 3.44Å; G75-G245 WeakPolarHBondContact CA-O 3.45Å
76	S	98.2	Very high	90	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.7	179.1	-51.3	0	0	0	0	111.4	W55 I78 V89 L90 P247	W55-S76 CarbonylContact O-C 3.54Å; W55-S76 VanDerWaalsContact O-CA 3.3Å; W55-S76 WeakPolarHBondContact O-CA 3.27Å; S76-I78 PolarHBondContact O-N 3.24Å; S76-V89 CarbonylContact O-C 3.56Å; S76-V89 VanDerWaalsContact O-CA 3.27Å; S76-V89 WeakPolarHBondContact O-CA 3.48Å; S76-L90 PolarHBondContact N-O 3.26Å; S76-L90 PolarHBondContact O-N 3.11Å; S76-P247 VanDerWaalsContact OG-CB 3.29Å; S76-P247 WeakPolarHBondContact OG-CB 3.49Å
77	L	97.8	Very high	90.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	123.2	160.7	-65.4	175.3	0	0	0	108.2	W55 V57 T86 V89 V114 V157 P165 V166	W55-L77 PolarHBondContact O-N 3.21Å; V57-L77 HydrophobicContact CG1-CD1 4.27Å; V57-L77 HydrophobicContact CG1-CD2 3.92Å; V57-L77 HydrophobicContact CG1-CG 3.62Å; L77-T86 HydrophobicContact CB-CG2 4.03Å; L77-T86 HydrophobicContact CD1-CG2 4.48Å; L77-T86 HydrophobicContact CD2-CG2 3.89Å; L77-T86 HydrophobicContact CG-CG2 4.34Å; L77-V89 HydrophobicContact CD2-CG2 3.9Å; L77-V114 HydrophobicContact CD1-CG1 4.41Å; L77-V114 HydrophobicContact CD2-CG1 4.18Å; L77-V157 HydrophobicContact CD1-CG1 4.48Å; L77-P165 CarbonylContact O-C 3.49Å; L77-P165 WeakPolarHBondContact O-CA 3.21Å; L77-V166 PolarHBondContact O-N 2.89Å
78	I	96.9	Very high	90.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-120	169.5	177.5	60.5	162.6	0	0	0	110.2	S76 T86 L88 L90 L150 V166 L168 L258 I288	S76-I78 PolarHBondContact O-N 3.24Å; I78-T86 WeakPolarHBondContact O-CB 3.42Å; I78-T86 PolarHBondContact O-OG1 2.84Å; I78-L88 HydrophobicContact CD1-CB 4.28Å; I78-L88 HydrophobicContact CG1-CB 3.73Å; I78-L88 PolarHBondContact N-O 2.91Å; I78-L88 VanDerWaalsContact N-O 3.15Å; I78-L90 HydrophobicContact CD1-CB 4.22Å; I78-L90 HydrophobicContact CD1-CD1 4.33Å; I78-L90 HydrophobicContact CG2-CB 3.99Å; I78-L150 HydrophobicContact CD1-CD1 3.78Å; I78-V166 HydrophobicContact CG2-CG1 4.03Å; I78-L168 HydrophobicContact CB-CD2 4.27Å; I78-L168 HydrophobicContact CB-CG 4.47Å; I78-L168 HydrophobicContact CD1-CD1 4.44Å; I78-L168 HydrophobicContact CD1-CD2 4.28Å; I78-L168 HydrophobicContact CG2-CD2 4.03Å; I78-L258 HydrophobicContact CG2-CD2 4.1Å; I78-I288 HydrophobicContact CD1-CG2 3.9Å
79	R	89.6	Confident	91.4	Very high	37 Å²	37	39.6 Å²	39.6	14%	0.14	20%	0.199	C	C	.	.			trans	-147	130.5	177.4	173.1	-171.2	168.7	176.1	-11.3	108.8	Y26 K81 P82 A83 Y159 P165	Y26-R79 PolarHBondContact O-NH1 3.03Å; R79-K81 WeakPolarHBondContact CD-O 3.03Å; R79-K81 WeakPolarHBondContact CG-O 3.19Å; R79-K81 PolarHBondContact NE-O 2.82Å; R79-P82 VanDerWaalsContact NE-N 3.18Å; R79-P82 VanDerWaalsContact NH2-CG 3.34Å; R79-A83 VanDerWaalsContact CZ-O 3.29Å; R79-A83 VanDerWaalsContact NE-N 3.11Å; R79-A83 PolarHBondContact NH1-O 2.85Å; R79-Y159 VanDerWaalsContact CD-OH 3.28Å; R79-Y159 WeakPolarHBondContact CD-OH 3.32Å; R79-Y159 WeakPolarHBondContact CG-OH 3.34Å; R79-P165 HydrophobicContact CB-CB 3.67Å; R79-P165 HydrophobicContact CB-CG 3.7Å; R79-P165 HydrophobicContact CG-CG 4.48Å
80	I	89.7	Confident	92	Very high	42 Å²	42	30.2 Å²	30.2	22%	0.215	16%	0.163	C	C	.	.	S	Bend	trans	-90.6	-37.7	176	-54.6	-166.3	0	0	0	111.1	L88 L168 I288 E289 E292	I80-L88 HydrophobicContact CD1-CD1 4.22Å; I80-L88 HydrophobicContact CG1-CD1 4.07Å; I80-L168 HydrophobicContact CG1-CD1 4.32Å; I80-I288 HydrophobicContact CD1-CG2 3.93Å; I80-E289 HydrophobicContact CD1-CG 4.42Å; I80-E289 HydrophobicContact CG2-CG 4.01Å; I80-E292 HydrophobicContact CD1-CB 3.43Å; I80-E292 VanDerWaalsContact CD1-CB 3.43Å; I80-E292 HydrophobicContact CD1-CG 3.57Å; I80-E292 HydrophobicContact CG1-CG 4.44Å
81	K	84	Confident	92.6	Very high	145 Å²	145	28.9 Å²	28.9	63%	0.63	15%	0.15	S	C	*	.	S	Bend	trans	-130.9	145.8	-177.7	-63.1	178.7	-176.9	172.5	0	111.7	R79 A83	R79-K81 WeakPolarHBondContact CD-O 3.03Å; R79-K81 WeakPolarHBondContact CG-O 3.19Å; R79-K81 PolarHBondContact NE-O 2.82Å; K81-A83 PolarHBondContact O-N 3.25Å
82	P	80.8	Confident	93.1	Very high	99 Å²	99	24.3 Å²	24.3	64%	0.643	13%	0.129	S	C	*	.	S	Bend		47.9	28.4	119.1	9.9	11.1	0	0	0	125.5	A23 R79	A23-P82 HydrophobicContact CB-CB 3.91Å; R79-P82 VanDerWaalsContact NE-N 3.18Å; R79-P82 VanDerWaalsContact NH2-CG 3.34Å
83	A	83.3	Confident	93.6	Very high	19 Å²	19	21.9 Å²	21.9	16%	0.157	12%	0.118	C	C	.	.			trans	-133.9	173.3	-171.3	0	0	0	0	0	116.3	R79 K81 V85 Y159	R79-A83 VanDerWaalsContact CZ-O 3.29Å; R79-A83 VanDerWaalsContact NE-N 3.11Å; R79-A83 PolarHBondContact NH1-O 2.85Å; K81-A83 PolarHBondContact O-N 3.25Å; A83-V85 WeakPolarHBondContact CB-O 3.43Å; A83-Y159 WeakPolarHBondContact O-CE2 3.45Å
84	N	88.7	Confident	93.7	Very high	34 Å²	34	22.7 Å²	22.7	18%	0.182	12%	0.12	C	C	.	.	S	Bend	trans	-111.7	12.8	168.6	68.9	16.4	0	0	0	112.5	E22 Y159 K301	E22-N84 PolarHBondContact OE2-ND2 2.78Å; N84-Y159 PolarHBondContact O-N 2.98Å; N84-K301 PolarHBondContact OD1-NZ 3.34Å
85	V	92.4	Very high	93.7	Very high	39 Å²	39	22.6 Å²	22.6	24%	0.236	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	146.5	-176	61.3	0	0	0	0	108.3	A83 V157 Y159 K301	A83-V85 WeakPolarHBondContact CB-O 3.43Å; V85-V157 WeakPolarHBondContact CA-O 3.26Å; V85-V157 WeakPolarHBondContact CG2-O 3.32Å; V85-Y159 PolarHBondContact O-OH 2.82Å; V85-Y159 VanDerWaalsContact O-OH 3.08Å; V85-K301 HydrophobicContact CB-CD 4.27Å; V85-K301 HydrophobicContact CG2-CD 4.08Å; V85-K301 HydrophobicContact CG2-CG 3.97Å
86	T	94.9	Very high	93.7	Very high	6 Å²	6	22.6 Å²	22.6	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.2	166.5	-170.4	0	0	0	0	110.9	L77 I78 L88 V157 Y159	L77-T86 HydrophobicContact CB-CG2 4.03Å; L77-T86 HydrophobicContact CD1-CG2 4.48Å; L77-T86 HydrophobicContact CD2-CG2 3.89Å; L77-T86 HydrophobicContact CG-CG2 4.34Å; I78-T86 WeakPolarHBondContact O-CB 3.42Å; I78-T86 PolarHBondContact O-OG1 2.84Å; T86-L88 PolarHBondContact OG1-N 2.87Å; T86-V157 PolarHBondContact N-O 3.48Å; T86-V157 WeakPolarHBondContact O-CB 3.45Å; T86-V157 PolarHBondContact O-N 3.21Å; T86-Y159 HydrophobicContact CG2-CE1 3.72Å
87	D	96.2	Very high	93.5	Very high	22 Å²	22	24.4 Å²	24.4	12%	0.118	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	15.3	173.2	58.7	-3.5	0	0	0	111.4	R152 L153 S298	D87-R152 VanDerWaalsContact CG-CD 3.43Å; D87-R152 CarbonylContact O-C 3.55Å; D87-R152 WeakPolarHBondContact O-CA 3.49Å; D87-R152 IonicContact OD1-CZ 3.88Å; D87-R152 IonicContact OD1-NH1 3.7Å; D87-R152 PolarHBondContact OD1-NH1 3.02Å; D87-R152 WeakPolarHBondContact OD2-CD 3.48Å; D87-R152 IonicContact OD2-CZ 2.89Å; D87-R152 IonicContact OD2-NE 3.45Å; D87-R152 IonicContact OD2-NH1 3.72Å; D87-R152 PolarHBondContact OD2-NH1 2.96Å; D87-L153 HydrophobicContact CB-CB 4.37Å; D87-L153 PolarHBondContact O-N 2.81Å; D87-S298 WeakPolarHBondContact OD2-CB 3.37Å; D87-S298 PolarHBondContact OD2-OG 2.99Å
88	L	97.7	Very high	93.2	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130	-175.6	-60.9	174.5	0	0	0	111.6	I78 I80 T86 L150 L151 E292	I78-L88 HydrophobicContact CD1-CB 4.28Å; I78-L88 HydrophobicContact CG1-CB 3.73Å; I78-L88 PolarHBondContact N-O 2.91Å; I78-L88 VanDerWaalsContact N-O 3.15Å; I80-L88 HydrophobicContact CD1-CD1 4.22Å; I80-L88 HydrophobicContact CG1-CD1 4.07Å; T86-L88 PolarHBondContact OG1-N 2.87Å; L88-L150 HydrophobicContact CB-CD1 4.41Å; L88-L150 HydrophobicContact CD2-CD1 4.35Å; L88-L151 WeakPolarHBondContact CA-O 3.5Å; L88-E292 HydrophobicContact CD1-CB 4.4Å; L88-E292 HydrophobicContact CD1-CG 3.5Å; L88-E292 HydrophobicContact CD2-CG 4.11Å; L88-E292 HydrophobicContact CG-CG 4.41Å
89	V	98.3	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.2	173.1	173.4	0	0	0	0	109.6	V57 S76 L77 V112 L151 L153	V57-V89 HydrophobicContact CG2-CG1 3.67Å; V57-V89 HydrophobicContact CG2-CG2 4.27Å; S76-V89 CarbonylContact O-C 3.56Å; S76-V89 VanDerWaalsContact O-CA 3.27Å; S76-V89 WeakPolarHBondContact O-CA 3.48Å; L77-V89 HydrophobicContact CD2-CG2 3.9Å; V89-V112 HydrophobicContact CG2-CG1 4.17Å; V89-L151 HydrophobicContact CB-CB 4.13Å; V89-L151 HydrophobicContact CG1-CD2 4.41Å; V89-L151 PolarHBondContact N-O 2.79Å; V89-L151 PolarHBondContact O-N 3.2Å; V89-L153 HydrophobicContact CG2-CD1 4.08Å; V89-L153 HydrophobicContact CG2-CD2 4.13Å; V89-L153 HydrophobicContact CG2-CG 4.24Å
90	L	98.3	Very high	92.9	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.4	170.4	-154.2	69.8	0	0	0	109.7	G75 S76 I78 I148 L150 L258 I261 V281 I288	G75-L90 CarbonylContact C-O 3.53Å; G75-L90 VanDerWaalsContact CA-O 3.23Å; G75-L90 WeakPolarHBondContact CA-O 3.44Å; S76-L90 PolarHBondContact N-O 3.26Å; S76-L90 PolarHBondContact O-N 3.11Å; I78-L90 HydrophobicContact CD1-CB 4.22Å; I78-L90 HydrophobicContact CD1-CD1 4.33Å; I78-L90 HydrophobicContact CG2-CB 3.99Å; L90-I148 HydrophobicContact CD1-CD1 3.98Å; L90-I148 HydrophobicContact CD1-CG1 3.93Å; L90-I148 HydrophobicContact CD2-CD1 4.12Å; L90-I148 HydrophobicContact CG-CD1 4.25Å; L90-I148 HydrophobicContact CG-CG1 4.22Å; L90-L150 HydrophobicContact CD1-CB 4.4Å; L90-L150 HydrophobicContact CD1-CD1 4.09Å; L90-L258 HydrophobicContact CB-CD2 4.5Å; L90-L258 HydrophobicContact CD2-CD2 3.69Å; L90-I261 HydrophobicContact CD2-CD1 3.72Å; L90-I261 HydrophobicContact CD2-CG1 4.43Å; L90-I261 HydrophobicContact CG-CD1 3.79Å; L90-V281 HydrophobicContact CD2-CG1 4.31Å; L90-I288 HydrophobicContact CD1-CD1 3.94Å; L90-I288 HydrophobicContact CD1-CG1 4.09Å; L90-I288 HydrophobicContact CD2-CD1 3.91Å
91	T	98.2	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-177.3	178.7	-170.8	0	0	0	0	109.9	L59 G74 V96 A149 L151 G245	L59-T91 HydrophobicContact CD2-CG2 4Å; G74-T91 PolarHBondContact O-OG1 2.64Å; T91-V96 HydrophobicContact CG2-CG1 4.44Å; T91-A149 HydrophobicContact CG2-CB 4.02Å; T91-A149 PolarHBondContact N-O 3.11Å; T91-A149 PolarHBondContact O-N 3.2Å; T91-L151 HydrophobicContact CG2-CD1 3.47Å; T91-L151 VanDerWaalsContact CG2-CD1 3.47Å; T91-L151 HydrophobicContact CG2-CD2 4.22Å; T91-G245 WeakPolarHBondContact OG1-CA 3.29Å
92	A	97.7	Very high	93.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.			trans	-78.2	144.8	175.9	0	0	0	0	0	111	H94 C95 I261	A92-H94 WeakPolarHBondContact CB-ND1 3.37Å; A92-H94 PolarHBondContact O-N 3.41Å; A92-C95 WeakPolarHBondContact O-CB 3.36Å; A92-C95 PolarHBondContact O-N 3.02Å; A92-I261 HydrophobicContact CB-CG2 4.06Å
93	A	98	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65	-32.4	176.8	0	0	0	0	0	112.2	C95 V96 K97 T134 Y137 D147	A93-C95 PolarHBondContact O-N 3.28Å; A93-V96 WeakPolarHBondContact O-CG2 3.35Å; A93-V96 PolarHBondContact O-N 2.94Å; A93-V96 VanDerWaalsContact O-N 3.09Å; A93-K97 PolarHBondContact O-N 3.29Å; A93-T134 HydrophobicContact CB-CG2 4.02Å; A93-Y137 HydrophobicContact CB-CD1 3.94Å; A93-Y137 HydrophobicContact CB-CD2 3.86Å; A93-Y137 HydrophobicContact CB-CG 3.53Å; A93-D147 WeakPolarHBondContact CA-OD1 3.2Å; A93-D147 WeakPolarHBondContact CB-OD1 3.08Å; A93-D147 PolarHBondContact N-OD1 2.82Å
94	H	95	Very high	94.7	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.102	20%	0.2	C	C	.	.	H	α-helix	trans	-67.9	-13.3	178.5	86.9	-105.1	0	0	0	114	A92 K97 P99 Y137 D147 S244 S263	A92-H94 WeakPolarHBondContact CB-ND1 3.37Å; A92-H94 PolarHBondContact O-N 3.41Å; H94-K97 CarbonylContact C-O 3.43Å; H94-K97 WeakPolarHBondContact CA-O 3.46Å; H94-P99 HydrophobicContact CB-CG 4.17Å; H94-Y137 HydrophobicContact CB-CE1 4.12Å; H94-Y137 HydrophobicContact CB-CE2 4.42Å; H94-Y137 WeakPolarHBondContact CB-OH 3.48Å; H94-D147 IonicContact CE1-OD2 2.69Å; H94-D147 IonicContact CG-OD1 3.26Å; H94-D147 IonicContact CG-OD2 3.91Å; H94-D147 PolarHBondContact N-OD1 2.94Å; H94-D147 IonicContact ND1-OD1 2.63Å; H94-D147 PolarHBondContact ND1-OD1 2.93Å; H94-D147 IonicContact ND1-OD2 2.91Å; H94-D147 PolarHBondContact ND1-OD2 2.87Å; H94-S244 VanDerWaalsContact CE1-CB 3.5Å; H94-S244 WeakPolarHBondContact CE1-CB 3.15Å; H94-S244 PolarHBondContact CE1-OG 2.84Å; H94-S244 VanDerWaalsContact CE1-OG 3.31Å; H94-S244 WeakPolarHBondContact NE2-CB 3.31Å; H94-S244 PolarHBondContact NE2-OG 2.95Å; H94-S263 PolarHBondContact CE1-O 3.41Å; H94-S263 PolarHBondContact ND1-O 3.06Å
95	C	95.2	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-75.2	-43.1	169.6	-63.8	0	0	0	0	110.7	L59 M61 C73 A92 A93	L59-C95 HydrophobicContact CD2-CB 4.27Å; M61-C95 HydrophobicContact CE-CB 4.5Å; M61-C95 VanDerWaalsContact SD-C 3.53Å; M61-C95 HydrophobicContact SD-CB 3.95Å; C73-C95 HydrophobicContact CB-CB 3.69Å; C73-C95 WeakPolarHBondContact CB-SG 3.16Å; C73-C95 WeakPolarHBondContact SG-CB 3.42Å; C73-C95 CovalentContact SG-SG 2.02Å; C73-C95 PolarHBondContact SG-SG 2.86Å; A92-C95 WeakPolarHBondContact O-CB 3.36Å; A92-C95 PolarHBondContact O-N 3.02Å; A93-C95 PolarHBondContact O-N 3.28Å
96	V	96.2	Very high	95.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-95.2	-8.8	-175	-62.3	0	0	0	0	114	L59 T91 A93 H105 M110 F132 T134 A149 L151	L59-V96 HydrophobicContact CD2-CG1 4.35Å; T91-V96 HydrophobicContact CG2-CG1 4.44Å; A93-V96 WeakPolarHBondContact O-CG2 3.35Å; A93-V96 PolarHBondContact O-N 2.94Å; A93-V96 VanDerWaalsContact O-N 3.09Å; V96-H105 PolarHBondContact O-CD2 3.11Å; V96-H105 PolarHBondContact O-N 3.08Å; V96-M110 HydrophobicContact CB-CE 3.92Å; V96-M110 HydrophobicContact CG1-CE 3.94Å; V96-M110 HydrophobicContact CG1-SD 4.24Å; V96-F132 HydrophobicContact CB-CD2 4.04Å; V96-F132 HydrophobicContact CB-CE1 4.41Å; V96-F132 HydrophobicContact CB-CE2 3.91Å; V96-F132 HydrophobicContact CB-CG 4.35Å; V96-F132 HydrophobicContact CB-CZ 4.1Å; V96-F132 HydrophobicContact CG2-CD2 3.71Å; V96-F132 HydrophobicContact CG2-CE2 3.7Å; V96-F132 HydrophobicContact CG2-CG 4.4Å; V96-F132 HydrophobicContact CG2-CZ 4.37Å; V96-T134 HydrophobicContact CG2-CG2 3.84Å; V96-A149 HydrophobicContact CG2-CB 3.53Å; V96-L151 HydrophobicContact CG1-CD1 4.26Å; V96-L151 HydrophobicContact CG1-CD2 4.5Å
97	K	94.9	Very high	95.2	Very high	40 Å²	40	42 Å²	42	17%	0.174	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-134.2	139	176.7	-69.7	-175.7	175.1	-102.1	0	111.3	A93 H94 P99 M103 D104 F132 T134 Y137	A93-K97 PolarHBondContact O-N 3.29Å; H94-K97 CarbonylContact C-O 3.43Å; H94-K97 WeakPolarHBondContact CA-O 3.46Å; K97-P99 WeakPolarHBondContact O-CD 3.43Å; K97-M103 CarbonylContact C-O 3.45Å; K97-M103 WeakPolarHBondContact CA-O 3.33Å; K97-D104 WeakPolarHBondContact CE-OD1 3.3Å; K97-D104 VanDerWaalsContact CG-OD1 3.29Å; K97-D104 WeakPolarHBondContact CG-OD1 3.49Å; K97-D104 IonicContact NZ-OD1 2.6Å; K97-D104 PolarHBondContact NZ-OD1 3.04Å; K97-D104 IonicContact NZ-OD2 3.7Å; K97-F132 HydrophobicContact CG-CE2 4.47Å; K97-T134 HydrophobicContact CD-CG2 3.89Å; K97-T134 VanDerWaalsContact CE-OG1 3.25Å; K97-T134 WeakPolarHBondContact CE-OG1 3.36Å; K97-T134 HydrophobicContact CG-CG2 4.3Å; K97-Y137 HydrophobicContact CB-CD1 4.35Å
98	S	92.1	Very high	95.1	Very high	30 Å²	30	45.6 Å²	45.6	21%	0.21	23%	0.232	C	C	.	.			trans	-56.7	124.2	171.9	179	0	0	0	0	110.8	R100 T101 L102 M103	S98-R100 PolarHBondContact O-N 3.33Å; S98-R100 VanDerWaalsContact O-N 3.13Å; S98-R100 PolarHBondContact OG-N 3.14Å; S98-T101 WeakPolarHBondContact CB-OG1 3.43Å; S98-T101 PolarHBondContact OG-N 3.32Å; S98-T101 PolarHBondContact OG-OG1 3Å; S98-L102 WeakPolarHBondContact O-CA 3.2Å; S98-L102 PolarHBondContact O-N 3.47Å; S98-M103 PolarHBondContact N-O 3.24Å
99	P	89.4	Confident	95	Very high	32 Å²	32	48.8 Å²	48.8	21%	0.208	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.6	177.7	-19	27.8	0	0	0	114.2	H94 K97 G139 D140	H94-P99 HydrophobicContact CB-CG 4.17Å; K97-P99 WeakPolarHBondContact O-CD 3.43Å; P99-G139 VanDerWaalsContact O-CA 3.3Å; P99-G139 WeakPolarHBondContact O-CA 3.25Å; P99-D140 VanDerWaalsContact CB-OD1 3.26Å; P99-D140 WeakPolarHBondContact CB-OD1 3.33Å; P99-D140 PolarHBondContact O-N 3.3Å
100	R	89.7	Confident	94.9	Very high	219 Å²	219	48.8 Å²	48.8	83%	0.826	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-46.4	-175.2	-63.6	-176.4	-177.4	-173.1	2.5	112.7	S98	S98-R100 PolarHBondContact O-N 3.33Å; S98-R100 VanDerWaalsContact O-N 3.13Å; S98-R100 PolarHBondContact OG-N 3.14Å
101	T	93.2	Very high	94.8	Very high	84 Å²	84	49 Å²	49	52%	0.515	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-11.5	-175.3	64.5	0	0	0	0	113.3	S98 M103	S98-T101 WeakPolarHBondContact CB-OG1 3.43Å; S98-T101 PolarHBondContact OG-N 3.32Å; S98-T101 PolarHBondContact OG-OG1 3Å; T101-M103 PolarHBondContact O-N 2.75Å; T101-M103 VanDerWaalsContact O-N 3.13Å; T101-M103 WeakPolarHBondContact OG1-CB 3.02Å; T101-M103 WeakPolarHBondContact OG1-CG 3.4Å; T101-M103 PolarHBondContact OG1-N 3Å
102	L	92.9	Very high	94.7	Very high	76 Å²	76	49 Å²	49	40%	0.398	25%	0.245	S	C	.	.			trans	59.5	13.9	-173.5	-54.4	177.2	0	0	0	114.4	S98 Y137	S98-L102 WeakPolarHBondContact O-CA 3.2Å; S98-L102 PolarHBondContact O-N 3.47Å; L102-Y137 HydrophobicContact CD2-CD1 3.98Å; L102-Y137 HydrophobicContact CD2-CE1 4.19Å
103	M	95.1	Very high	94.6	Very high	134 Å²	134	49.1 Å²	49.1	66%	0.66	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-73	139.8	175.3	-68.4	178.9	173.2	0	0	110.8	K97 S98 T101	K97-M103 CarbonylContact C-O 3.45Å; K97-M103 WeakPolarHBondContact CA-O 3.33Å; S98-M103 PolarHBondContact N-O 3.24Å; T101-M103 PolarHBondContact O-N 2.75Å; T101-M103 VanDerWaalsContact O-N 3.13Å; T101-M103 WeakPolarHBondContact OG1-CB 3.02Å; T101-M103 WeakPolarHBondContact OG1-CG 3.4Å; T101-M103 PolarHBondContact OG1-N 3Å
104	D	95.6	Very high	94.5	Very high	92 Å²	92	49.2 Å²	49.2	49%	0.492	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-72.4	138.1	178.4	-70.8	3	0	0	0	110.9	K97 F132	K97-D104 WeakPolarHBondContact CE-OD1 3.3Å; K97-D104 VanDerWaalsContact CG-OD1 3.29Å; K97-D104 WeakPolarHBondContact CG-OD1 3.49Å; K97-D104 IonicContact NZ-OD1 2.6Å; K97-D104 PolarHBondContact NZ-OD1 3.04Å; K97-D104 IonicContact NZ-OD2 3.7Å; D104-F132 HydrophobicContact CB-CZ 3.78Å
105	H	93.8	Very high	94.2	Very high	32 Å²	32	48.7 Å²	48.7	15%	0.148	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.9	142.2	164.7	-74	-99.4	0	0	0	109.5	E71 V96 V107 M110	E71-H105 IonicContact OE2-CE1 3.81Å; E71-H105 IonicContact OE2-NE2 2.94Å; V96-H105 PolarHBondContact O-CD2 3.11Å; V96-H105 PolarHBondContact O-N 3.08Å; H105-V107 PolarHBondContact O-N 3.16Å; H105-M110 HydrophobicContact CB-CE 3.41Å; H105-M110 VanDerWaalsContact CB-CE 3.41Å; H105-M110 VanDerWaalsContact O-CE 3.28Å; H105-M110 WeakPolarHBondContact O-CE 3.22Å
106	P	95.6	Very high	93.9	Very high	50 Å²	50	49.2 Å²	49.2	33%	0.325	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-61.9	126.3	179.6	-23.2	33.9	0	0	0	112.2	D108 R109	P106-D108 VanDerWaalsContact C-N 3.28Å; P106-D108 VanDerWaalsContact CB-OD1 3.23Å; P106-D108 WeakPolarHBondContact CB-OD1 3.38Å; P106-D108 PolarHBondContact O-N 3.33Å; P106-R109 HydrophobicContact CB-CB 4.44Å; P106-R109 HydrophobicContact CB-CG 4.07Å; P106-R109 WeakPolarHBondContact O-CB 3.47Å; P106-R109 PolarHBondContact O-N 3.22Å
107	V	95.6	Very high	93.5	Very high	43 Å²	43	49.5 Å²	49.5	26%	0.261	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.3	-35.2	-175.2	178	0	0	0	0	112.3	H105 R109 M110 V129 F132	H105-V107 PolarHBondContact O-N 3.16Å; V107-R109 PolarHBondContact O-N 3.28Å; V107-R109 VanDerWaalsContact O-N 3.17Å; V107-M110 PolarHBondContact O-N 3.28Å; V107-M110 VanDerWaalsContact O-N 3.09Å; V107-V129 HydrophobicContact CG1-CB 4.19Å; V107-V129 HydrophobicContact CG1-CG1 4.04Å; V107-V129 WeakPolarHBondContact CG1-O 3.46Å; V107-F132 HydrophobicContact CG2-CD1 3.79Å; V107-F132 HydrophobicContact CG2-CE1 3.73Å
108	D	94.6	Very high	93.1	Very high	96 Å²	96	48.5 Å²	48.5	51%	0.513	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-62.7	-19.3	177	60.3	-60.2	0	0	0	113	P106 R128	P106-D108 VanDerWaalsContact C-N 3.28Å; P106-D108 VanDerWaalsContact CB-OD1 3.23Å; P106-D108 WeakPolarHBondContact CB-OD1 3.38Å; P106-D108 PolarHBondContact O-N 3.33Å; D108-R128 PolarHBondContact O-NH1 2.81Å
109	R	94.8	Very high	92.7	Very high	74 Å²	74	48.4 Å²	48.4	28%	0.279	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-97.6	6.3	177.8	-57.6	-176.5	-168	175.6	0.3	113.8	Y62 D63 P106 V107	Y62-R109 WeakPolarHBondContact CD2-O 3.25Å; Y62-R109 PolarHBondContact N-O 3.49Å; Y62-R109 WeakPolarHBondContact O-CB 3.17Å; Y62-R109 WeakPolarHBondContact O-CD 3.46Å; D63-R109 PolarHBondContact O-NH1 3.46Å; P106-R109 HydrophobicContact CB-CB 4.44Å; P106-R109 HydrophobicContact CB-CG 4.07Å; P106-R109 WeakPolarHBondContact O-CB 3.47Å; P106-R109 PolarHBondContact O-N 3.22Å; V107-R109 PolarHBondContact O-N 3.28Å; V107-R109 VanDerWaalsContact O-N 3.17Å
110	M	97.1	Very high	92.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.9	-179.6	-64.3	179	177.4	0	0	111.9	M60 M61 V96 H105 V107 V129 F132	M60-M110 WeakPolarHBondContact O-CA 3.03Å; M61-M110 HydrophobicContact CG-CE 4.42Å; M61-M110 HydrophobicContact CG-CG 4.01Å; V96-M110 HydrophobicContact CB-CE 3.92Å; V96-M110 HydrophobicContact CG1-CE 3.94Å; V96-M110 HydrophobicContact CG1-SD 4.24Å; H105-M110 HydrophobicContact CB-CE 3.41Å; H105-M110 VanDerWaalsContact CB-CE 3.41Å; H105-M110 VanDerWaalsContact O-CE 3.28Å; H105-M110 WeakPolarHBondContact O-CE 3.22Å; V107-M110 PolarHBondContact O-N 3.28Å; V107-M110 VanDerWaalsContact O-N 3.09Å; M110-V129 HydrophobicContact CB-CB 3.86Å; M110-V129 HydrophobicContact CB-CG2 3.58Å; M110-V129 PolarHBondContact O-N 2.04Å; M110-V129 HydrophobicContact SD-CB 4.46Å; M110-V129 HydrophobicContact SD-CG1 4.44Å; M110-V129 HydrophobicContact SD-CG2 4.44Å; M110-F132 HydrophobicContact CE-CD1 4.02Å; M110-F132 HydrophobicContact CE-CE1 3.64Å; M110-F132 HydrophobicContact CE-CZ 4.35Å; M110-F132 HydrophobicContact SD-CD1 3.97Å; M110-F132 HydrophobicContact SD-CE1 4.17Å
111	V	96.3	Very high	92.2	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127	178.1	178.4	0	0	0	0	109.9	M60 Y62 K126 R128	M60-V111 PolarHBondContact N-O 2.83Å; M60-V111 PolarHBondContact O-N 3.24Å; Y62-V111 HydrophobicContact CD2-CG2 4.33Å; Y62-V111 HydrophobicContact CE2-CB 4.12Å; Y62-V111 HydrophobicContact CE2-CG2 3.8Å; V111-K126 HydrophobicContact CG1-CB 3.7Å; V111-K126 HydrophobicContact CG1-CD 4.2Å; V111-K126 HydrophobicContact CG1-CG 3.95Å; V111-R128 HydrophobicContact CG2-CG 4.41Å
112	V	96.6	Very high	91.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.9	171.3	175.6	0	0	0	0	109	V57 F58 L59 V89 V114 K126 V127 V129 L153	V57-V112 HydrophobicContact CB-CG1 3.66Å; V57-V112 HydrophobicContact CG1-CG1 4.03Å; V57-V112 HydrophobicContact CG2-CG1 3.77Å; F58-V112 CarbonylContact O-C 3.59Å; F58-V112 WeakPolarHBondContact O-CA 3.46Å; L59-V112 HydrophobicContact CD1-CG2 3.8Å; V89-V112 HydrophobicContact CG2-CG1 4.17Å; V112-V114 HydrophobicContact CG1-CG1 4.06Å; V112-K126 CarbonylContact O-C 3.53Å; V112-V127 PolarHBondContact N-O 3.12Å; V112-V127 PolarHBondContact O-N 2.84Å; V112-V129 HydrophobicContact CG2-CG2 4.04Å; V112-L153 HydrophobicContact CB-CD2 3.94Å; V112-L153 HydrophobicContact CG1-CD2 4.44Å; V112-L153 HydrophobicContact CG2-CD2 3.75Å
113	V	95.2	Very high	91.3	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.1	171.8	-170.1	0	0	0	0	108.9	V57 F58 V116 R124 T125 K126	V57-V113 WeakPolarHBondContact CA-O 3.43Å; V57-V113 WeakPolarHBondContact CB-O 3.49Å; F58-V113 HydrophobicContact CB-CB 4.23Å; F58-V113 HydrophobicContact CD1-CB 4.48Å; F58-V113 HydrophobicContact CD1-CG2 4.07Å; F58-V113 PolarHBondContact N-O 3.02Å; F58-V113 PolarHBondContact O-N 2.68Å; V113-V116 HydrophobicContact CB-CB 4.4Å; V113-V116 HydrophobicContact CG1-CB 3.86Å; V113-V116 HydrophobicContact CG1-CG2 4.21Å; V113-R124 HydrophobicContact CG1-CB 3.62Å; V113-R124 HydrophobicContact CG1-CG 3.85Å; V113-T125 WeakPolarHBondContact CA-O 3.48Å; V113-K126 HydrophobicContact CG2-CG 4.33Å
114	V	94.8	Very high	91	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	154	-179.7	-58.7	0	0	0	0	111.2	V57 L77 V112 V116 T125 V127 V157 T163 V307	V57-V114 HydrophobicContact CG1-CG1 3.9Å; L77-V114 HydrophobicContact CD1-CG1 4.41Å; L77-V114 HydrophobicContact CD2-CG1 4.18Å; V112-V114 HydrophobicContact CG1-CG1 4.06Å; V114-V116 PolarHBondContact O-N 3.01Å; V114-V116 VanDerWaalsContact O-N 3.17Å; V114-T125 HydrophobicContact CG2-CG2 3.79Å; V114-T125 PolarHBondContact N-O 3.22Å; V114-V127 HydrophobicContact CG2-CG2 4.48Å; V114-V157 HydrophobicContact CB-CG1 4.41Å; V114-V157 HydrophobicContact CG1-CG1 4.4Å; V114-V157 HydrophobicContact CG1-CG2 4.07Å; V114-V157 HydrophobicContact CG2-CG1 4.08Å; V114-T163 HydrophobicContact CB-CG2 3.97Å; V114-T163 HydrophobicContact CG2-CG2 3.98Å; V114-V307 HydrophobicContact CG2-CG1 4.38Å
115	G	88.6	Confident	90.9	Very high	11 Å²	11	37.1 Å²	37.1	11%	0.113	19%	0.193	C	C	.	.	S	Bend	trans	63.2	19.1	-179.1	0	0	0	0	0	113.9
116	V	90.2	Very high	91	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.073	21%	0.206	C	C	.	.			trans	-75.8	127.6	-172.8	58.8	0	0	0	0	111.2	F58 V113 V114 R119	F58-V116 HydrophobicContact CB-CG1 3.78Å; F58-V116 HydrophobicContact CB-CG2 4.47Å; V113-V116 HydrophobicContact CB-CB 4.4Å; V113-V116 HydrophobicContact CG1-CB 3.86Å; V113-V116 HydrophobicContact CG1-CG2 4.21Å; V114-V116 PolarHBondContact O-N 3.01Å; V114-V116 VanDerWaalsContact O-N 3.17Å; V116-R119 HydrophobicContact CG2-CG 4.18Å
117	H	86.7	Confident	91	Very high	6 Å²	6	38 Å²	38	3%	0.028	19%	0.191	C	C	.	.	S	Bend	trans	-112.7	-56.1	167.4	-168.1	63.5	0	0	0	109.9	E47 A48 H186 K200 L201 Y310	E47-H117 IonicContact OE1-CD2 3.58Å; E47-H117 IonicContact OE1-CE1 3.95Å; E47-H117 IonicContact OE1-NE2 2.81Å; E47-H117 PolarHBondContact OE1-NE2 2.89Å; A48-H117 PolarHBondContact O-CE1 2.82Å; H117-H186 PolarHBondContact O-NE2 2.92Å; H117-K200 CarbonylContact O-C 3.57Å; H117-K200 WeakPolarHBondContact O-CA 3.45Å; H117-L201 PolarHBondContact O-N 3.02Å; H117-Y310 HydrophobicContact CB-CD1 3.64Å; H117-Y310 HydrophobicContact CB-CE1 4.17Å; H117-Y310 HydrophobicContact CB-CG 4.01Å; H117-Y310 AromaticContact CD2-CD1 3.95Å; H117-Y310 AromaticContact CD2-CE1 3.66Å
118	D	86.6	Confident	91	Very high	18 Å²	18	40.5 Å²	40.5	10%	0.096	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-110.6	121.1	176	-167.3	-30	0	0	0	111	T120 D121 N199 Y310	D118-T120 VanDerWaalsContact CG-OG1 3.22Å; D118-T120 PolarHBondContact O-N 3.1Å; D118-T120 WeakPolarHBondContact OD1-CB 3.46Å; D118-T120 PolarHBondContact OD1-N 3.2Å; D118-T120 PolarHBondContact OD1-OG1 2.75Å; D118-T120 PolarHBondContact OD2-OG1 2.77Å; D118-D121 VanDerWaalsContact O-CB 3.32Å; D118-D121 WeakPolarHBondContact O-CB 3.46Å; D118-D121 PolarHBondContact O-N 3.38Å; D118-N199 CarbonylContact C-O 3.44Å; D118-N199 WeakPolarHBondContact CA-O 3.32Å; D118-Y310 HydrophobicContact CB-CD2 4.09Å; D118-Y310 HydrophobicContact CB-CE1 4.33Å; D118-Y310 HydrophobicContact CB-CE2 3.36Å; D118-Y310 VanDerWaalsContact CB-CZ 3.49Å; D118-Y310 WeakPolarHBondContact CB-OH 3.27Å; D118-Y310 PolarHBondContact OD2-OH 2.9Å
119	R	85.3	Confident	91.2	Very high	28 Å²	28	36 Å²	36	11%	0.106	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.7	-178.3	-60.6	-179.7	-64.4	160	6.5	113.2	F58 V116 D121 R124 H186 T197 S198 N199	F58-R119 HydrophobicContact CD1-CG 4.47Å; F58-R119 HydrophobicContact CD2-CG 4.46Å; F58-R119 HydrophobicContact CE1-CG 4.46Å; F58-R119 VanDerWaalsContact CE2-CD 3.4Å; F58-R119 HydrophobicContact CE2-CG 4.5Å; F58-R119 HydrophobicContact CG-CG 4.45Å; F58-R119 HydrophobicContact CZ-CG 4.49Å; V116-R119 HydrophobicContact CG2-CG 4.18Å; R119-D121 VanDerWaalsContact C-N 3.26Å; R119-R124 PolarHBondContact O-NH1 2.76Å; R119-H186 VanDerWaalsContact CD-CG 3.47Å; R119-T197 PolarHBondContact NH2-O 2.03Å; R119-T197 PolarHBondContact NH2-OG1 3.48Å; R119-S198 PolarHBondContact NE-O 3.04Å; R119-S198 VanDerWaalsContact NH2-C 3.27Å; R119-S198 PolarHBondContact NH2-O 3.42Å; R119-N199 PolarHBondContact N-O 2.72Å
120	T	84.4	Confident	91.3	Very high	80 Å²	80	35.2 Å²	35.2	49%	0.491	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.7	176	67.7	0	0	0	0	112.8	D118 P122 N199	D118-T120 VanDerWaalsContact CG-OG1 3.22Å; D118-T120 PolarHBondContact O-N 3.1Å; D118-T120 WeakPolarHBondContact OD1-CB 3.46Å; D118-T120 PolarHBondContact OD1-N 3.2Å; D118-T120 PolarHBondContact OD1-OG1 2.75Å; D118-T120 PolarHBondContact OD2-OG1 2.77Å; T120-P122 VanDerWaalsContact O-CD 3.26Å; T120-P122 WeakPolarHBondContact O-CD 3.25Å; T120-N199 HydrophobicContact CG2-CB 3.89Å; T120-N199 WeakPolarHBondContact CG2-ND2 3.31Å
121	D	83.6	Confident	91.3	Very high	14 Å²	14	40 Å²	40	8%	0.075	19%	0.192	C	C	.	.			trans	-62.2	116.4	175.8	-177.5	2.8	0	0	0	110.8	D118 R119 R123 R124 H308 Y310	D118-D121 VanDerWaalsContact O-CB 3.32Å; D118-D121 WeakPolarHBondContact O-CB 3.46Å; D118-D121 PolarHBondContact O-N 3.38Å; R119-D121 VanDerWaalsContact C-N 3.26Å; D121-R123 VanDerWaalsContact C-N 3.26Å; D121-R123 PolarHBondContact O-N 2.87Å; D121-R123 PolarHBondContact OD1-N 2.79Å; D121-R123 IonicContact OD1-NE 3.93Å; D121-R124 WeakPolarHBondContact O-CD 3.47Å; D121-R124 WeakPolarHBondContact O-CG 3.49Å; D121-R124 PolarHBondContact O-NH1 3.03Å; D121-H308 IonicContact OD1-NE2 3.44Å; D121-H308 IonicContact OD2-CD2 3.84Å; D121-H308 PolarHBondContact OD2-CD2 3.06Å; D121-H308 IonicContact OD2-NE2 2.7Å; D121-H308 PolarHBondContact OD2-NE2 2.8Å; D121-Y310 HydrophobicContact CB-CD2 3.9Å; D121-Y310 HydrophobicContact CB-CE2 4.17Å; D121-Y310 WeakPolarHBondContact OD2-CD2 3.46Å
122	P	82.4	Confident	91.4	Very high	112 Å²	112	40.7 Å²	40.7	73%	0.727	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.9	-179.3	29.5	-34.9	0	0	0	112.9	T120	T120-P122 VanDerWaalsContact O-CD 3.26Å; T120-P122 WeakPolarHBondContact O-CD 3.25Å
123	R	84.6	Confident	91.4	Very high	116 Å²	116	42.2 Å²	42.2	44%	0.438	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.7	-174.6	-61.8	-178.8	-57.9	-171	1	113.9	D121 H308 M316	D121-R123 VanDerWaalsContact C-N 3.26Å; D121-R123 PolarHBondContact O-N 2.87Å; D121-R123 PolarHBondContact OD1-N 2.79Å; D121-R123 IonicContact OD1-NE 3.93Å; R123-H308 WeakPolarHBondContact CB-NE2 3.45Å; R123-H308 VanDerWaalsContact CZ-CE1 3.44Å; R123-H308 PolarHBondContact NE-CE1 2.94Å; R123-H308 PolarHBondContact NE-NE2 2.77Å; R123-H308 PolarHBondContact NH2-CE1 2.76Å; R123-H308 PolarHBondContact NH2-NE2 3.02Å; R123-H308 VanDerWaalsContact O-CB 3.29Å; R123-H308 WeakPolarHBondContact O-CB 3.21Å; R123-H308 PolarHBondContact O-CD2 3.36Å; R123-H308 VanDerWaalsContact O-CG 3.29Å; R123-M316 PolarHBondContact NH2-SD 3.13Å
124	R	89	Confident	91.6	Very high	66 Å²	66	43.4 Å²	43.4	25%	0.249	21%	0.211	C	C	.	.			trans	-49.1	137.8	-179.3	67.5	-172.8	178.3	-97	8.2	113	V113 R119 D121 K126	V113-R124 HydrophobicContact CG1-CB 3.62Å; V113-R124 HydrophobicContact CG1-CG 3.85Å; R119-R124 PolarHBondContact O-NH1 2.76Å; D121-R124 WeakPolarHBondContact O-CD 3.47Å; D121-R124 WeakPolarHBondContact O-CG 3.49Å; D121-R124 PolarHBondContact O-NH1 3.03Å; R124-K126 HydrophobicContact CG-CG 4.22Å; R124-K126 PolarHBondContact O-N 2.81Å; R124-K126 VanDerWaalsContact O-N 3.16Å
125	T	93.8	Very high	91.6	Very high	12 Å²	12	43.8 Å²	43.8	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	108	177.6	-59.1	0	0	0	0	110.5	V113 V114 V127 L302 A306 V307 H308	V113-T125 WeakPolarHBondContact CA-O 3.48Å; V114-T125 HydrophobicContact CG2-CG2 3.79Å; V114-T125 PolarHBondContact N-O 3.22Å; T125-V127 HydrophobicContact CG2-CG2 4.3Å; T125-L302 HydrophobicContact CG2-CD1 4.08Å; T125-A306 PolarHBondContact OG1-O 2.91Å; T125-V307 WeakPolarHBondContact OG1-CA 3.05Å; T125-H308 WeakPolarHBondContact OG1-CB 3.5Å; T125-H308 PolarHBondContact OG1-N 2.97Å
126	K	94.6	Very high	91.9	Very high	99 Å²	99	48.4 Å²	48.4	43%	0.43	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.8	176.7	-65	179.4	-178.1	-176.7	0	110.2	V111 V112 V113 R124	V111-K126 HydrophobicContact CG1-CB 3.7Å; V111-K126 HydrophobicContact CG1-CD 4.2Å; V111-K126 HydrophobicContact CG1-CG 3.95Å; V112-K126 CarbonylContact O-C 3.53Å; V113-K126 HydrophobicContact CG2-CG 4.33Å; R124-K126 HydrophobicContact CG-CG 4.22Å; R124-K126 PolarHBondContact O-N 2.81Å; R124-K126 VanDerWaalsContact O-N 3.16Å
127	V	96.2	Very high	92.1	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.6	176.5	-164.8	0	0	0	0	108.6	V112 V114 T125 L153 N155 V157 L302	V112-V127 PolarHBondContact N-O 3.12Å; V112-V127 PolarHBondContact O-N 2.84Å; V114-V127 HydrophobicContact CG2-CG2 4.48Å; T125-V127 HydrophobicContact CG2-CG2 4.3Å; V127-L153 HydrophobicContact CB-CD1 4.37Å; V127-L153 HydrophobicContact CG1-CB 3.9Å; V127-L153 HydrophobicContact CG1-CD1 4.12Å; V127-L153 HydrophobicContact CG1-CD2 4.5Å; V127-L153 HydrophobicContact CG1-CG 4.4Å; V127-N155 HydrophobicContact CG1-CB 4.26Å; V127-V157 HydrophobicContact CG2-CG2 4.15Å; V127-L302 HydrophobicContact CG2-CD1 3.76Å
128	R	96.6	Very high	92.4	Very high	96 Å²	96	51.9 Å²	51.9	36%	0.362	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	149.7	178.1	-72.5	-163.4	-175.4	-86	-9.9	111.2	E67 D108 V111 K154	E67-R128 IonicContact OE1-CZ 2.94Å; E67-R128 VanDerWaalsContact OE1-CZ 3.26Å; E67-R128 IonicContact OE1-NH1 3.06Å; E67-R128 PolarHBondContact OE1-NH1 2.63Å; E67-R128 IonicContact OE1-NH2 3.05Å; E67-R128 PolarHBondContact OE1-NH2 3.01Å; D108-R128 PolarHBondContact O-NH1 2.81Å; V111-R128 HydrophobicContact CG2-CG 4.41Å; R128-K154 HydrophobicContact CB-CD 4.01Å; R128-K154 HydrophobicContact CB-CG 4.24Å; R128-K154 PolarHBondContact O-N 3.45Å
129	V	97.8	Very high	92.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.3	170.7	-177.3	0	0	0	0	109.3	V107 M110 V112 L151 L153	V107-V129 HydrophobicContact CG1-CB 4.19Å; V107-V129 HydrophobicContact CG1-CG1 4.04Å; V107-V129 WeakPolarHBondContact CG1-O 3.46Å; M110-V129 HydrophobicContact CB-CB 3.86Å; M110-V129 HydrophobicContact CB-CG2 3.58Å; M110-V129 PolarHBondContact O-N 2.04Å; M110-V129 HydrophobicContact SD-CB 4.46Å; M110-V129 HydrophobicContact SD-CG1 4.44Å; M110-V129 HydrophobicContact SD-CG2 4.44Å; V112-V129 HydrophobicContact CG2-CG2 4.04Å; V129-L151 HydrophobicContact CG1-CB 4.33Å; V129-L151 HydrophobicContact CG1-CG 4.39Å; V129-L151 HydrophobicContact CG2-CD2 4.04Å; V129-L153 HydrophobicContact CG2-CD2 4.46Å
130	K	97.3	Very high	92.6	Very high	59 Å²	59	53.4 Å²	53.4	26%	0.257	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-46.1	174.6	-174	166.5	-177.2	166.6	0	111.5	R152 K154 P296 P297 D299	K130-R152 HydrophobicContact CB-CG 4.42Å; K130-R152 WeakPolarHBondContact CB-O 3.1Å; K130-R152 PolarHBondContact N-O 3.31Å; K130-K154 HydrophobicContact CB-CG 3.82Å; K130-K154 HydrophobicContact CG-CG 4.4Å; K130-P296 HydrophobicContact CD-CG 4.33Å; K130-P296 HydrophobicContact CG-CG 4.35Å; K130-P297 WeakPolarHBondContact CD-O 3.37Å; K130-P297 WeakPolarHBondContact CE-O 3.2Å; K130-P297 PolarHBondContact NZ-O 2.72Å; K130-D299 IonicContact NZ-OD1 3.82Å; K130-D299 PolarHBondContact NZ-OD1 3.05Å
131	K	97.7	Very high	92.6	Very high	101 Å²	101	59.4 Å²	59.4	44%	0.439	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	155.4	177.8	-168.1	171	-175.6	179.7	0	109.6	R152 L295 P296	K131-R152 PolarHBondContact N-O 3.3Å; K131-R152 PolarHBondContact O-N 3.42Å; K131-L295 HydrophobicContact CB-CD2 3.95Å; K131-L295 HydrophobicContact CD-CD2 4.11Å; K131-L295 HydrophobicContact CG-CD2 3.87Å; K131-P296 HydrophobicContact CB-CG 4.19Å; K131-P296 HydrophobicContact CD-CG 4.14Å
132	F	97.5	Very high	92.6	Very high	17 Å²	17	59.8 Å²	59.8	8%	0.075	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	164.7	169.8	72.2	-92.8	0	0	0	111.2	V96 K97 D104 V107 M110 T134 L150 L151	V96-F132 HydrophobicContact CB-CD2 4.04Å; V96-F132 HydrophobicContact CB-CE1 4.41Å; V96-F132 HydrophobicContact CB-CE2 3.91Å; V96-F132 HydrophobicContact CB-CG 4.35Å; V96-F132 HydrophobicContact CB-CZ 4.1Å; V96-F132 HydrophobicContact CG2-CD2 3.71Å; V96-F132 HydrophobicContact CG2-CE2 3.7Å; V96-F132 HydrophobicContact CG2-CG 4.4Å; V96-F132 HydrophobicContact CG2-CZ 4.37Å; K97-F132 HydrophobicContact CG-CE2 4.47Å; D104-F132 HydrophobicContact CB-CZ 3.78Å; V107-F132 HydrophobicContact CG2-CD1 3.79Å; V107-F132 HydrophobicContact CG2-CE1 3.73Å; M110-F132 HydrophobicContact CE-CD1 4.02Å; M110-F132 HydrophobicContact CE-CE1 3.64Å; M110-F132 HydrophobicContact CE-CZ 4.35Å; M110-F132 HydrophobicContact SD-CD1 3.97Å; M110-F132 HydrophobicContact SD-CE1 4.17Å; F132-T134 HydrophobicContact CD2-CG2 4.12Å; F132-T134 HydrophobicContact CE2-CG2 4.12Å; F132-L150 CarbonylContact C-O 3.49Å; F132-L150 VanDerWaalsContact CA-O 3.23Å; F132-L150 WeakPolarHBondContact CA-O 3.33Å; F132-L151 HydrophobicContact CB-CD1 4.11Å; F132-L151 HydrophobicContact CB-CG 3.92Å
133	V	97.6	Very high	92.7	Very high	33 Å²	33	55 Å²	55	20%	0.2	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.7	170.1	-68.8	0	0	0	0	109.9	A149 L150 W287 M291 L295	V133-A149 VanDerWaalsContact O-CA 3.32Å; V133-A149 WeakPolarHBondContact O-CA 3.44Å; V133-L150 HydrophobicContact CG2-CB 4.07Å; V133-L150 PolarHBondContact N-O 2.93Å; V133-L150 PolarHBondContact O-N 2.01Å; V133-W287 HydrophobicContact CG2-CH2 4.36Å; V133-W287 HydrophobicContact CG2-CZ2 4.07Å; V133-M291 HydrophobicContact CG2-CB 3.78Å; V133-M291 HydrophobicContact CG2-CG 3.87Å; V133-M291 HydrophobicContact CG2-SD 4.22Å; V133-L295 HydrophobicContact CG1-CD2 3.98Å; V133-L295 HydrophobicContact CG2-CD1 4.33Å; V133-L295 HydrophobicContact CG2-CD2 4.42Å; V133-L295 HydrophobicContact CG2-CG 4.48Å
134	T	97.5	Very high	92.9	Very high	27 Å²	27	50.8 Å²	50.8	17%	0.166	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.6	176.6	75	0	0	0	0	111.3	A93 V96 K97 F132 N136 I148 A149	A93-T134 HydrophobicContact CB-CG2 4.02Å; V96-T134 HydrophobicContact CG2-CG2 3.84Å; K97-T134 HydrophobicContact CD-CG2 3.89Å; K97-T134 VanDerWaalsContact CE-OG1 3.25Å; K97-T134 WeakPolarHBondContact CE-OG1 3.36Å; K97-T134 HydrophobicContact CG-CG2 4.3Å; F132-T134 HydrophobicContact CD2-CG2 4.12Å; F132-T134 HydrophobicContact CE2-CG2 4.12Å; T134-N136 VanDerWaalsContact C-N 3.34Å; T134-N136 PolarHBondContact O-N 2.97Å; T134-N136 VanDerWaalsContact O-N 3.15Å; T134-I148 WeakPolarHBondContact CA-O 3.5Å; T134-A149 HydrophobicContact CG2-CB 4Å
135	A	96	Very high	93.1	Very high	11 Å²	11	50 Å²	50	9%	0.091	24%	0.243	C	C	.	.	S	Bend	trans	-87.9	53.6	-175.7	0	0	0	0	0	113.4	Y137 N146 I148 F284 W287	A135-Y137 PolarHBondContact O-N 2.8Å; A135-N146 HydrophobicContact CB-CB 4.18Å; A135-N146 WeakPolarHBondContact O-CB 3.2Å; A135-I148 HydrophobicContact CB-CG2 3.55Å; A135-I148 PolarHBondContact N-O 2.73Å; A135-F284 HydrophobicContact CB-CD1 4.03Å; A135-F284 HydrophobicContact CB-CE1 3.94Å; A135-W287 HydrophobicContact CB-CD2 3.88Å; A135-W287 HydrophobicContact CB-CE3 4.29Å; A135-W287 HydrophobicContact CB-CG 4.4Å; A135-W287 HydrophobicContact CB-CH2 4.26Å; A135-W287 HydrophobicContact CB-CZ2 3.82Å; A135-W287 HydrophobicContact CB-CZ3 4.47Å
136	N	93.7	Very high	93.2	Very high	108 Å²	108	50.9 Å²	50.9	58%	0.578	25%	0.247	S	C	*	.			trans	56.9	49.2	-177.2	-170.1	15.4	0	0	0	112.9	T134 K138 N146	T134-N136 VanDerWaalsContact C-N 3.34Å; T134-N136 PolarHBondContact O-N 2.97Å; T134-N136 VanDerWaalsContact O-N 3.15Å; N136-K138 PolarHBondContact ND2-NZ 3.45Å; N136-K138 VanDerWaalsContact ND2-NZ 3.12Å; N136-K138 PolarHBondContact O-N 2.92Å; N136-K138 PolarHBondContact OD1-NZ 2.82Å; N136-K138 VanDerWaalsContact OD1-NZ 3.14Å; N136-N146 PolarHBondContact O-ND2 3.19Å
137	Y	95.2	Very high	93.3	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.039	23%	0.226	C	C	.	.			trans	-54.7	131.7	179.2	174.3	-126.4	0	0	0	112.5	A93 H94 K97 L102 A135 G139 K144 D147	A93-Y137 HydrophobicContact CB-CD1 3.94Å; A93-Y137 HydrophobicContact CB-CD2 3.86Å; A93-Y137 HydrophobicContact CB-CG 3.53Å; H94-Y137 HydrophobicContact CB-CE1 4.12Å; H94-Y137 HydrophobicContact CB-CE2 4.42Å; H94-Y137 WeakPolarHBondContact CB-OH 3.48Å; K97-Y137 HydrophobicContact CB-CD1 4.35Å; L102-Y137 HydrophobicContact CD2-CD1 3.98Å; L102-Y137 HydrophobicContact CD2-CE1 4.19Å; A135-Y137 PolarHBondContact O-N 2.8Å; Y137-G139 VanDerWaalsContact CZ-CA 3.49Å; Y137-K144 HydrophobicContact CE2-CB 4.04Å; Y137-K144 HydrophobicContact CE2-CG 4.23Å; Y137-K144 PolarHBondContact OH-NZ 3.22Å; Y137-D147 HydrophobicContact CD2-CB 4.03Å; Y137-D147 HydrophobicContact CE2-CB 3.84Å
138	K	92.8	Very high	93.4	Very high	80 Å²	80	46.1 Å²	46.1	35%	0.348	23%	0.226	S	C	.	.			trans	-96.1	0.6	-173	-58.3	-58.7	-172.5	-171.9	0	115.7	N136 G142 E145	N136-K138 PolarHBondContact ND2-NZ 3.45Å; N136-K138 VanDerWaalsContact ND2-NZ 3.12Å; N136-K138 PolarHBondContact O-N 2.92Å; N136-K138 PolarHBondContact OD1-NZ 2.82Å; N136-K138 VanDerWaalsContact OD1-NZ 3.14Å; K138-G142 PolarHBondContact O-N 2.74Å; K138-E145 HydrophobicContact CB-CB 4.29Å; K138-E145 HydrophobicContact CG-CB 3.97Å; K138-E145 PolarHBondContact N-O 2.92Å; K138-E145 VanDerWaalsContact N-O 3.14Å
139	G	90.8	Very high	93.5	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.021	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	-167.9	178.7	0	0	0	0	0	113.9	P99 Y137 K141 G142 K144	P99-G139 VanDerWaalsContact O-CA 3.3Å; P99-G139 WeakPolarHBondContact O-CA 3.25Å; Y137-G139 VanDerWaalsContact CZ-CA 3.49Å; G139-K141 VanDerWaalsContact C-N 3.33Å; G139-K141 PolarHBondContact O-N 3.25Å; G139-G142 PolarHBondContact O-N 2.89Å; G139-K144 WeakPolarHBondContact O-CA 2.98Å; G139-K144 PolarHBondContact O-N 3.21Å
140	D	85.6	Confident	93.5	Very high	76 Å²	76	41.5 Å²	41.5	41%	0.406	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-65.6	-35.6	-177.3	-68.2	-21.9	0	0	0	112.4	P99 G142 G143 K144	P99-D140 VanDerWaalsContact CB-OD1 3.26Å; P99-D140 WeakPolarHBondContact CB-OD1 3.33Å; P99-D140 PolarHBondContact O-N 3.3Å; D140-G142 VanDerWaalsContact C-N 3.32Å; D140-G142 PolarHBondContact O-N 2.56Å; D140-G143 PolarHBondContact O-N 3.24Å; D140-K144 WeakPolarHBondContact OD1-CE 3.25Å; D140-K144 IonicContact OD1-NZ 2.99Å; D140-K144 PolarHBondContact OD1-NZ 3.14Å
141	K	83.4	Confident	93.6	Very high	206 Å²	206	38.7 Å²	38.7	90%	0.896	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-69.5	-27.8	-178.3	-69.2	-172.9	179.3	-178.7	0	113.3	G139	G139-K141 VanDerWaalsContact C-N 3.33Å; G139-K141 PolarHBondContact O-N 3.25Å
142	G	84	Confident	93.6	Very high	23 Å²	23	34.6 Å²	34.6	24%	0.237	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-102.6	30.1	178.6	0	0	0	0	0	113.7	K138 G139 D140 K144 E145	K138-G142 PolarHBondContact O-N 2.74Å; G139-G142 PolarHBondContact O-N 2.89Å; D140-G142 VanDerWaalsContact C-N 3.32Å; D140-G142 PolarHBondContact O-N 2.56Å; G142-K144 PolarHBondContact O-N 2.84Å; G142-K144 VanDerWaalsContact O-N 3.16Å; G142-E145 WeakPolarHBondContact O-CG 3.01Å; G142-E145 PolarHBondContact O-N 2.91Å
143	G	85.3	Confident	93.6	Very high	11 Å²	11	33.8 Å²	33.8	11%	0.113	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	18.5	175.5	0	0	0	0	0	115.1	D140 E145 Q229	D140-G143 PolarHBondContact O-N 3.24Å; G143-E145 PolarHBondContact O-N 3.34Å; G143-Q229 PolarHBondContact O-NE2 2.75Å
144	K	88.7	Confident	93.6	Very high	28 Å²	28	36 Å²	36	12%	0.122	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	36.1	-171.9	-61.4	-179.4	177.6	-70.1	0	112.9	Y137 G139 D140 G142 D147 Q229 F264	Y137-K144 HydrophobicContact CE2-CB 4.04Å; Y137-K144 HydrophobicContact CE2-CG 4.23Å; Y137-K144 PolarHBondContact OH-NZ 3.22Å; G139-K144 WeakPolarHBondContact O-CA 2.98Å; G139-K144 PolarHBondContact O-N 3.21Å; D140-K144 WeakPolarHBondContact OD1-CE 3.25Å; D140-K144 IonicContact OD1-NZ 2.99Å; D140-K144 PolarHBondContact OD1-NZ 3.14Å; G142-K144 PolarHBondContact O-N 2.84Å; G142-K144 VanDerWaalsContact O-N 3.16Å; K144-D147 HydrophobicContact CB-CB 4.37Å; K144-D147 WeakPolarHBondContact O-CB 2.95Å; K144-Q229 PolarHBondContact O-NE2 3.46Å; K144-Q229 VanDerWaalsContact O-NE2 3.15Å; K144-F264 HydrophobicContact CB-CD1 4.09Å; K144-F264 HydrophobicContact CB-CE1 4.3Å; K144-F264 HydrophobicContact CD-CB 3.78Å; K144-F264 HydrophobicContact CD-CD1 3.74Å; K144-F264 HydrophobicContact CD-CG 4Å; K144-F264 HydrophobicContact CG-CD1 4.46Å
145	E	93	Very high	93.5	Very high	50 Å²	50	36.8 Å²	36.8	23%	0.234	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	145.5	169	-72.6	-169.6	158.7	0	0	110.9	K138 G142 G143 D147 N225 I228	K138-E145 HydrophobicContact CB-CB 4.29Å; K138-E145 HydrophobicContact CG-CB 3.97Å; K138-E145 PolarHBondContact N-O 2.92Å; K138-E145 VanDerWaalsContact N-O 3.14Å; G142-E145 WeakPolarHBondContact O-CG 3.01Å; G142-E145 PolarHBondContact O-N 2.91Å; G143-E145 PolarHBondContact O-N 3.34Å; E145-D147 VanDerWaalsContact C-N 3.29Å; E145-D147 PolarHBondContact O-N 2.96Å; E145-N225 HydrophobicContact CG-CB 4.35Å; E145-N225 VanDerWaalsContact OE1-CB 3.24Å; E145-N225 WeakPolarHBondContact OE1-CB 3.44Å; E145-N225 PolarHBondContact OE1-ND2 3.06Å; E145-I228 HydrophobicContact CB-CD1 3.91Å; E145-I228 HydrophobicContact CG-CD1 4.02Å
146	N	95.9	Very high	93.5	Very high	30 Å²	30	36.4 Å²	36.4	16%	0.16	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	41.2	-177	-47.6	-51	0	0	0	113.7	A135 N136 I148 I228 F284	A135-N146 HydrophobicContact CB-CB 4.18Å; A135-N146 WeakPolarHBondContact O-CB 3.2Å; N136-N146 PolarHBondContact O-ND2 3.19Å; N146-I148 PolarHBondContact O-N 3.07Å; N146-I228 WeakPolarHBondContact OD1-CD1 3.06Å; N146-F284 HydrophobicContact CB-CE1 4.15Å; N146-F284 HydrophobicContact CB-CZ 4.3Å; N146-F284 WeakPolarHBondContact OD1-CE1 3.48Å; N146-F284 WeakPolarHBondContact OD1-CZ 3.11Å
147	D	97	Very high	93.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.			trans	-76.7	68.5	177.8	-170.7	24	0	0	0	111.8	A93 H94 Y137 K144 E145 S263 T279	A93-D147 WeakPolarHBondContact CA-OD1 3.2Å; A93-D147 WeakPolarHBondContact CB-OD1 3.08Å; A93-D147 PolarHBondContact N-OD1 2.82Å; H94-D147 IonicContact CE1-OD2 2.69Å; H94-D147 IonicContact CG-OD1 3.26Å; H94-D147 IonicContact CG-OD2 3.91Å; H94-D147 PolarHBondContact N-OD1 2.94Å; H94-D147 IonicContact ND1-OD1 2.63Å; H94-D147 PolarHBondContact ND1-OD1 2.93Å; H94-D147 IonicContact ND1-OD2 2.91Å; H94-D147 PolarHBondContact ND1-OD2 2.87Å; Y137-D147 HydrophobicContact CD2-CB 4.03Å; Y137-D147 HydrophobicContact CE2-CB 3.84Å; K144-D147 HydrophobicContact CB-CB 4.37Å; K144-D147 WeakPolarHBondContact O-CB 2.95Å; E145-D147 VanDerWaalsContact C-N 3.29Å; E145-D147 PolarHBondContact O-N 2.96Å; D147-S263 WeakPolarHBondContact CB-OG 3.45Å; D147-S263 WeakPolarHBondContact OD2-CA 3.5Å; D147-S263 WeakPolarHBondContact OD2-CB 3.05Å; D147-S263 PolarHBondContact OD2-OG 3.2Å; D147-T279 PolarHBondContact O-OG1 3.32Å
148	I	98.2	Very high	93.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.			trans	-143.1	136.5	-179.5	-173.7	169.4	0	0	0	111	L90 T134 A135 N146 I261 T279 F284 W287 I288	L90-I148 HydrophobicContact CD1-CD1 3.98Å; L90-I148 HydrophobicContact CD1-CG1 3.93Å; L90-I148 HydrophobicContact CD2-CD1 4.12Å; L90-I148 HydrophobicContact CG-CD1 4.25Å; L90-I148 HydrophobicContact CG-CG1 4.22Å; T134-I148 WeakPolarHBondContact CA-O 3.5Å; A135-I148 HydrophobicContact CB-CG2 3.55Å; A135-I148 PolarHBondContact N-O 2.73Å; N146-I148 PolarHBondContact O-N 3.07Å; I148-I261 HydrophobicContact CB-CD1 4.24Å; I148-I261 HydrophobicContact CD1-CD1 3.75Å; I148-I261 HydrophobicContact CG1-CD1 3.61Å; I148-T279 HydrophobicContact CB-CG2 4.21Å; I148-F284 HydrophobicContact CD1-CB 3.79Å; I148-F284 HydrophobicContact CD1-CD2 4.34Å; I148-F284 HydrophobicContact CD1-CG 3.99Å; I148-F284 HydrophobicContact CG2-CD1 3.7Å; I148-F284 HydrophobicContact CG2-CE1 3.82Å; I148-F284 HydrophobicContact CG2-CG 4.1Å; I148-F284 HydrophobicContact CG2-CZ 4.31Å; I148-W287 HydrophobicContact CD1-CZ3 4.16Å; I148-W287 HydrophobicContact CG1-CZ3 4.01Å; I148-W287 HydrophobicContact CG2-CZ3 4.15Å; I148-I288 HydrophobicContact CD1-CD1 4.32Å
149	A	98.4	Very high	93.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138	175.4	0	0	0	0	0	111.3	T91 V96 V133 T134 L151	T91-A149 HydrophobicContact CG2-CB 4.02Å; T91-A149 PolarHBondContact N-O 3.11Å; T91-A149 PolarHBondContact O-N 3.2Å; V96-A149 HydrophobicContact CG2-CB 3.53Å; V133-A149 VanDerWaalsContact O-CA 3.32Å; V133-A149 WeakPolarHBondContact O-CA 3.44Å; T134-A149 HydrophobicContact CG2-CB 4Å; A149-L151 HydrophobicContact CB-CD1 3.86Å
150	L	98.4	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.2	172.9	-179.3	66.3	0	0	0	108.9	I78 L88 L90 F132 V133 W287 I288 M291 E292 L295	I78-L150 HydrophobicContact CD1-CD1 3.78Å; L88-L150 HydrophobicContact CB-CD1 4.41Å; L88-L150 HydrophobicContact CD2-CD1 4.35Å; L90-L150 HydrophobicContact CD1-CB 4.4Å; L90-L150 HydrophobicContact CD1-CD1 4.09Å; F132-L150 CarbonylContact C-O 3.49Å; F132-L150 VanDerWaalsContact CA-O 3.23Å; F132-L150 WeakPolarHBondContact CA-O 3.33Å; V133-L150 HydrophobicContact CG2-CB 4.07Å; V133-L150 PolarHBondContact N-O 2.93Å; V133-L150 PolarHBondContact O-N 2.01Å; L150-W287 HydrophobicContact CB-CH2 3.94Å; L150-W287 HydrophobicContact CB-CZ3 4.17Å; L150-I288 HydrophobicContact CD1-CG2 4.38Å; L150-I288 HydrophobicContact CD2-CG2 4.38Å; L150-M291 HydrophobicContact CD2-CB 3.88Å; L150-E292 HydrophobicContact CD2-CB 4.29Å; L150-L295 HydrophobicContact CD2-CD1 3.84Å; L150-L295 HydrophobicContact CG-CD1 3.91Å
151	L	98.2	Very high	93.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135	-177.9	-71.2	58.8	0	0	0	108.6	L59 L88 V89 T91 V96 V129 F132 A149	L59-L151 HydrophobicContact CD1-CD2 4.19Å; L59-L151 HydrophobicContact CD2-CD2 4.06Å; L88-L151 WeakPolarHBondContact CA-O 3.5Å; V89-L151 HydrophobicContact CB-CB 4.13Å; V89-L151 HydrophobicContact CG1-CD2 4.41Å; V89-L151 PolarHBondContact N-O 2.79Å; V89-L151 PolarHBondContact O-N 3.2Å; T91-L151 HydrophobicContact CG2-CD1 3.47Å; T91-L151 VanDerWaalsContact CG2-CD1 3.47Å; T91-L151 HydrophobicContact CG2-CD2 4.22Å; V96-L151 HydrophobicContact CG1-CD1 4.26Å; V96-L151 HydrophobicContact CG1-CD2 4.5Å; V129-L151 HydrophobicContact CG1-CB 4.33Å; V129-L151 HydrophobicContact CG1-CG 4.39Å; V129-L151 HydrophobicContact CG2-CD2 4.04Å; F132-L151 HydrophobicContact CB-CD1 4.11Å; F132-L151 HydrophobicContact CB-CG 3.92Å; A149-L151 HydrophobicContact CB-CD1 3.86Å
152	R	97.8	Very high	93.8	Very high	15 Å²	15	18.1 Å²	18.1	6%	0.057	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.9	164.7	-179.7	80	66.1	166.8	-4	108.9	D87 K130 K131 E292 L295 P296	D87-R152 VanDerWaalsContact CG-CD 3.43Å; D87-R152 CarbonylContact O-C 3.55Å; D87-R152 WeakPolarHBondContact O-CA 3.49Å; D87-R152 IonicContact OD1-CZ 3.88Å; D87-R152 IonicContact OD1-NH1 3.7Å; D87-R152 PolarHBondContact OD1-NH1 3.02Å; D87-R152 WeakPolarHBondContact OD2-CD 3.48Å; D87-R152 IonicContact OD2-CZ 2.89Å; D87-R152 IonicContact OD2-NE 3.45Å; D87-R152 IonicContact OD2-NH1 3.72Å; D87-R152 PolarHBondContact OD2-NH1 2.96Å; K130-R152 HydrophobicContact CB-CG 4.42Å; K130-R152 WeakPolarHBondContact CB-O 3.1Å; K130-R152 PolarHBondContact N-O 3.31Å; K131-R152 PolarHBondContact N-O 3.3Å; K131-R152 PolarHBondContact O-N 3.42Å; R152-E292 IonicContact CZ-OE1 2.8Å; R152-E292 IonicContact NH1-OE1 2.73Å; R152-E292 PolarHBondContact NH2-O 3.35Å; R152-E292 IonicContact NH2-OE1 3.8Å; R152-E292 PolarHBondContact NH2-OE1 3.43Å; R152-L295 HydrophobicContact CB-CB 4.16Å; R152-L295 HydrophobicContact CB-CD1 4.08Å; R152-L295 HydrophobicContact CB-CG 4.5Å; R152-P296 VanDerWaalsContact CG-O 3.29Å; R152-P296 WeakPolarHBondContact CG-O 3.26Å; R152-P296 PolarHBondContact NE-O 2.99Å
153	L	97.8	Very high	94.2	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	150.8	175.1	-58.4	-178	0	0	0	111.4	D87 V89 V112 V127 V129 N155 V157	D87-L153 HydrophobicContact CB-CB 4.37Å; D87-L153 PolarHBondContact O-N 2.81Å; V89-L153 HydrophobicContact CG2-CD1 4.08Å; V89-L153 HydrophobicContact CG2-CD2 4.13Å; V89-L153 HydrophobicContact CG2-CG 4.24Å; V112-L153 HydrophobicContact CB-CD2 3.94Å; V112-L153 HydrophobicContact CG1-CD2 4.44Å; V112-L153 HydrophobicContact CG2-CD2 3.75Å; V127-L153 HydrophobicContact CB-CD1 4.37Å; V127-L153 HydrophobicContact CG1-CB 3.9Å; V127-L153 HydrophobicContact CG1-CD1 4.12Å; V127-L153 HydrophobicContact CG1-CD2 4.5Å; V127-L153 HydrophobicContact CG1-CG 4.4Å; V129-L153 HydrophobicContact CG2-CD2 4.46Å; L153-N155 VanDerWaalsContact C-N 3.31Å; L153-V157 HydrophobicContact CD1-CG2 3.77Å
154	K	97.1	Very high	94.6	Very high	80 Å²	80	17.5 Å²	17.5	35%	0.348	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-37.7	173.9	-73.5	-163.8	-180	-171.6	0	112	R128 K130 S298 D299	R128-K154 HydrophobicContact CB-CD 4.01Å; R128-K154 HydrophobicContact CB-CG 4.24Å; R128-K154 PolarHBondContact O-N 3.45Å; K130-K154 HydrophobicContact CB-CG 3.82Å; K130-K154 HydrophobicContact CG-CG 4.4Å; K154-S298 CarbonylContact O-C 3.46Å; K154-S298 WeakPolarHBondContact O-CB 3.46Å; K154-D299 PolarHBondContact O-N 3.4Å
155	N	96.7	Very high	94.9	Very high	43 Å²	43	16.1 Å²	16.1	23%	0.23	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.9	177.2	-55.6	86.7	0	0	0	111.1	V127 L153 E300 L302	V127-N155 HydrophobicContact CG1-CB 4.26Å; L153-N155 VanDerWaalsContact C-N 3.31Å; N155-E300 CarbonylContact C-O 3.46Å; N155-E300 WeakPolarHBondContact CA-O 3.07Å; N155-L302 HydrophobicContact CB-CD1 4.5Å; N155-L302 HydrophobicContact CB-CD2 3.79Å; N155-L302 HydrophobicContact CB-CG 3.72Å
156	G	96.1	Very high	95	Very high	2 Å²	2	13.8 Å²	13.8	2%	0.021	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.2	172.1	0	0	0	0	0	111.7	E300 L302	G156-E300 PolarHBondContact N-O 2.84Å; G156-L302 PolarHBondContact O-N 2.94Å
157	V	95.8	Very high	95	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114	179.8	-179.3	0	0	0	0	108.8	L77 V85 T86 V114 V127 L153 T163 L302	L77-V157 HydrophobicContact CD1-CG1 4.48Å; V85-V157 WeakPolarHBondContact CA-O 3.26Å; V85-V157 WeakPolarHBondContact CG2-O 3.32Å; T86-V157 PolarHBondContact N-O 3.48Å; T86-V157 WeakPolarHBondContact O-CB 3.45Å; T86-V157 PolarHBondContact O-N 3.21Å; V114-V157 HydrophobicContact CB-CG1 4.41Å; V114-V157 HydrophobicContact CG1-CG1 4.4Å; V114-V157 HydrophobicContact CG1-CG2 4.07Å; V114-V157 HydrophobicContact CG2-CG1 4.08Å; V127-V157 HydrophobicContact CG2-CG2 4.15Å; L153-V157 HydrophobicContact CD1-CG2 3.77Å; V157-T163 HydrophobicContact CG1-CG2 4.02Å; V157-L302 HydrophobicContact CG2-CD1 4.5Å
158	P	94.1	Very high	95	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.013	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	151.7	177.8	26.2	-32.7	0	0	0	111.1	T163 V304 V307	P158-T163 PolarHBondContact O-OG1 3.09Å; P158-V304 HydrophobicContact CB-CG2 3.99Å; P158-V304 HydrophobicContact CG-CG2 4.25Å; P158-V307 HydrophobicContact CG-CG2 3.56Å
159	Y	92.9	Very high	94.9	Very high	8 Å²	8	15 Å²	15	3%	0.031	7%	0.073	C	C	.	.			trans	-79	124.9	173.7	-60.2	-13.3	0	0	0	111.1	Y26 R79 A83 N84 V85 T86 T163 P165	Y26-Y159 HydrophobicContact CD2-CD2 4.3Å; Y26-Y159 HydrophobicContact CG-CD2 4.31Å; R79-Y159 VanDerWaalsContact CD-OH 3.28Å; R79-Y159 WeakPolarHBondContact CD-OH 3.32Å; R79-Y159 WeakPolarHBondContact CG-OH 3.34Å; A83-Y159 WeakPolarHBondContact O-CE2 3.45Å; N84-Y159 PolarHBondContact O-N 2.98Å; V85-Y159 PolarHBondContact O-OH 2.82Å; V85-Y159 VanDerWaalsContact O-OH 3.08Å; T86-Y159 HydrophobicContact CG2-CE1 3.72Å; Y159-T163 CarbonylContact C-O 3.47Å; Y159-T163 WeakPolarHBondContact CA-O 3.5Å; Y159-P165 HydrophobicContact CE1-CG 4.13Å; Y159-P165 HydrophobicContact CE2-CG 4.04Å
160	T	90.1	Very high	94.7	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.043	9%	0.09	C	C	.	.			trans	-126.5	-167	176	75.4	0	0	0	0	109.3	Y162 T163 R164 V304 V307	T160-Y162 HydrophobicContact CG2-CE2 4.16Å; T160-Y162 PolarHBondContact O-N 2.83Å; T160-Y162 WeakPolarHBondContact OG1-CD2 3.44Å; T160-Y162 WeakPolarHBondContact OG1-CE2 3.46Å; T160-Y162 PolarHBondContact OG1-N 2.77Å; T160-T163 PolarHBondContact N-O 3.35Å; T160-T163 PolarHBondContact N-OG1 2.74Å; T160-T163 PolarHBondContact OG1-N 2.83Å; T160-T163 PolarHBondContact OG1-OG1 3.08Å; T160-R164 WeakPolarHBondContact O-CG 3.44Å; T160-R164 PolarHBondContact O-NE 2.78Å; T160-V304 HydrophobicContact CG2-CG1 4.16Å; T160-V307 HydrophobicContact CG2-CB 4.33Å; T160-V307 HydrophobicContact CG2-CG2 4.41Å
161	D	86.3	Confident	94.5	Very high	47 Å²	47	23.9 Å²	23.9	25%	0.251	12%	0.118	S	C	.	.	S	Bend	trans	-73.6	-16.5	172	-68.7	-25	0	0	0	113.6	K32 F33 R164	K32-D161 HydrophobicContact CB-CB 4.35Å; K32-D161 HydrophobicContact CD-CB 3.66Å; K32-D161 VanDerWaalsContact CD-OD1 3.3Å; K32-D161 WeakPolarHBondContact CD-OD1 3.18Å; K32-D161 WeakPolarHBondContact CD-OD2 3.3Å; K32-D161 WeakPolarHBondContact CE-OD2 3.41Å; K32-D161 IonicContact NZ-OD2 3.61Å; K32-D161 PolarHBondContact NZ-OD2 3.1Å; F33-D161 HydrophobicContact CE2-CB 3.97Å; F33-D161 WeakPolarHBondContact CE2-O 3.37Å; F33-D161 HydrophobicContact CZ-CB 4.4Å; D161-R164 IonicContact OD1-CZ 2.72Å; D161-R164 IonicContact OD1-NH2 2.67Å; D161-R164 PolarHBondContact OD1-NH2 3.1Å
162	Y	88.1	Confident	94.3	Very high	35 Å²	35	28.2 Å²	28.2	14%	0.137	15%	0.148	C	C	.	.	S	Bend	trans	-121.6	-4.5	-176.3	42.3	-94	0	0	0	113.8	P54 T160 V307 E309	P54-Y162 VanDerWaalsContact CA-O 3.3Å; P54-Y162 WeakPolarHBondContact CA-O 3.27Å; P54-Y162 VanDerWaalsContact CB-C 3.44Å; P54-Y162 WeakPolarHBondContact CB-O 3.43Å; T160-Y162 HydrophobicContact CG2-CE2 4.16Å; T160-Y162 PolarHBondContact O-N 2.83Å; T160-Y162 WeakPolarHBondContact OG1-CD2 3.44Å; T160-Y162 WeakPolarHBondContact OG1-CE2 3.46Å; T160-Y162 PolarHBondContact OG1-N 2.77Å; Y162-V307 HydrophobicContact CD2-CG1 3.87Å; Y162-V307 HydrophobicContact CE2-CB 3.75Å; Y162-V307 HydrophobicContact CE2-CG1 3.41Å; Y162-V307 VanDerWaalsContact CE2-CG1 3.41Å; Y162-V307 PolarHBondContact OH-O 3.28Å; Y162-E309 HydrophobicContact CD1-CB 4.27Å; Y162-E309 HydrophobicContact CD1-CG 4.24Å; Y162-E309 HydrophobicContact CE1-CB 3.91Å; Y162-E309 HydrophobicContact CE1-CG 4.26Å
163	T	92.3	Very high	94.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.			trans	-128.4	108.3	169.3	49.9	0	0	0	0	110.6	P54 V114 V157 P158 Y159 T160 V307	P54-T163 WeakPolarHBondContact O-CA 2.99Å; V114-T163 HydrophobicContact CB-CG2 3.97Å; V114-T163 HydrophobicContact CG2-CG2 3.98Å; V157-T163 HydrophobicContact CG1-CG2 4.02Å; P158-T163 PolarHBondContact O-OG1 3.09Å; Y159-T163 CarbonylContact C-O 3.47Å; Y159-T163 WeakPolarHBondContact CA-O 3.5Å; T160-T163 PolarHBondContact N-O 3.35Å; T160-T163 PolarHBondContact N-OG1 2.74Å; T160-T163 PolarHBondContact OG1-N 2.83Å; T160-T163 PolarHBondContact OG1-OG1 3.08Å; T163-V307 HydrophobicContact CG2-CG1 3.54Å
164	R	92.9	Very high	94	Very high	20 Å²	20	37.3 Å²	37.3	8%	0.075	19%	0.19	C	C	.	.			trans	-149.4	149	-179.5	-60.2	-177.5	-178.8	-173.4	-1.8	109.1	V30 P54 W55 T160 D161	V30-R164 VanDerWaalsContact O-CD 3.29Å; V30-R164 WeakPolarHBondContact O-CD 3.3Å; V30-R164 PolarHBondContact O-NH1 3.06Å; V30-R164 VanDerWaalsContact O-NH1 3.13Å; P54-R164 CarbonylContact C-O 3.36Å; P54-R164 VanDerWaalsContact C-O 3.26Å; P54-R164 HydrophobicContact CB-CB 4Å; P54-R164 HydrophobicContact CB-CG 4.2Å; P54-R164 HydrophobicContact CG-CB 3.86Å; P54-R164 HydrophobicContact CG-CG 4.24Å; P54-R164 PolarHBondContact O-N 2.87Å; P54-R164 VanDerWaalsContact O-O 3.09Å; W55-R164 WeakPolarHBondContact CA-O 2.93Å; W55-R164 WeakPolarHBondContact CB-O 3.29Å; W55-R164 PolarHBondContact N-O 2.93Å; W55-R164 VanDerWaalsContact N-O 3.14Å; T160-R164 WeakPolarHBondContact O-CG 3.44Å; T160-R164 PolarHBondContact O-NE 2.78Å; D161-R164 IonicContact OD1-CZ 2.72Å; D161-R164 IonicContact OD1-NH2 2.67Å; D161-R164 PolarHBondContact OD1-NH2 3.1Å
165	P	95.5	Very high	93.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-78.3	151	-179.1	33.3	-35.7	0	0	0	111.7	C28 G29 L77 R79 Y159	C28-P165 CarbonylContact C-O 3.5Å; C28-P165 WeakPolarHBondContact CA-O 3.49Å; C28-P165 HydrophobicContact CB-CG 4.24Å; G29-P165 PolarHBondContact N-O 3.44Å; L77-P165 CarbonylContact O-C 3.49Å; L77-P165 WeakPolarHBondContact O-CA 3.21Å; R79-P165 HydrophobicContact CB-CB 3.67Å; R79-P165 HydrophobicContact CB-CG 3.7Å; R79-P165 HydrophobicContact CG-CG 4.48Å; Y159-P165 HydrophobicContact CE1-CG 4.13Å; Y159-P165 HydrophobicContact CE2-CG 4.04Å
166	V	96.5	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-78.2	151.1	163.3	65.3	0	0	0	0	109.5	W55 L77 I78 V249 F256 L258	W55-V166 HydrophobicContact CB-CB 3.83Å; W55-V166 HydrophobicContact CB-CG1 4.35Å; W55-V166 HydrophobicContact CD2-CB 4.03Å; W55-V166 HydrophobicContact CD2-CG2 4.47Å; W55-V166 HydrophobicContact CE3-CB 4.5Å; W55-V166 HydrophobicContact CG-CB 3.71Å; W55-V166 HydrophobicContact CG-CG2 4.47Å; L77-V166 PolarHBondContact O-N 2.89Å; I78-V166 HydrophobicContact CG2-CG1 4.03Å; V166-V249 HydrophobicContact CG2-CG1 3.66Å; V166-F256 VanDerWaalsContact CG2-O 3.31Å; V166-F256 WeakPolarHBondContact CG2-O 3.29Å; V166-L258 HydrophobicContact CG1-CB 3.79Å; V166-L258 HydrophobicContact CG1-CD2 3.99Å; V166-L258 HydrophobicContact CG1-CG 4.33Å; V166-L258 HydrophobicContact CG2-CB 3.99Å
167	C	95.8	Very high	93.3	Very high	14 Å²	14	37.1 Å²	37.1	10%	0.095	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-71	137	174.3	-62.8	0	0	0	0	110.9	C28 F256 V257 L258	C28-C167 HydrophobicContact CB-CB 3.99Å; C28-C167 WeakPolarHBondContact CB-SG 3.45Å; C28-C167 PolarHBondContact O-SG 3.32Å; C28-C167 WeakPolarHBondContact SG-CA 3.32Å; C28-C167 WeakPolarHBondContact SG-CB 3.46Å; C28-C167 CovalentContact SG-SG 2.05Å; C28-C167 PolarHBondContact SG-SG 2.73Å; C167-F256 WeakPolarHBondContact CB-O 3.39Å; C167-F256 PolarHBondContact N-O 3.03Å; C167-V257 HydrophobicContact CB-CG2 4.18Å; C167-V257 WeakPolarHBondContact O-CA 3.35Å; C167-L258 PolarHBondContact O-N 3Å
168	L	96.6	Very high	92.9	Very high	35 Å²	35	40.7 Å²	40.7	18%	0.183	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-72.5	145.6	164.2	-70.2	174.9	0	0	0	109.7	I78 I80 I288	I78-L168 HydrophobicContact CB-CD2 4.27Å; I78-L168 HydrophobicContact CB-CG 4.47Å; I78-L168 HydrophobicContact CD1-CD1 4.44Å; I78-L168 HydrophobicContact CD1-CD2 4.28Å; I78-L168 HydrophobicContact CG2-CD2 4.03Å; I80-L168 HydrophobicContact CG1-CD1 4.32Å; L168-I288 HydrophobicContact CD1-CG2 4.23Å; L168-I288 HydrophobicContact CD2-CD1 4.16Å
169	P	96.3	Very high	92.7	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.045	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-71.2	165.3	174.8	30.4	-33.3	0	0	0	111.2	D173 V257 L258 V281 P282 V285	P169-D173 HydrophobicContact CB-CB 4.29Å; P169-V257 VanDerWaalsContact CA-CG1 3.46Å; P169-V257 HydrophobicContact CB-CG1 3.66Å; P169-L258 VanDerWaalsContact CD-O 3.26Å; P169-L258 WeakPolarHBondContact CD-O 3.37Å; P169-L258 WeakPolarHBondContact CG-O 3.46Å; P169-V281 HydrophobicContact CG-CB 4.18Å; P169-V281 HydrophobicContact CG-CG1 3.85Å; P169-P282 HydrophobicContact CB-CB 4.46Å; P169-P282 HydrophobicContact CB-CG 3.88Å; P169-P282 HydrophobicContact CG-CB 4.29Å; P169-P282 HydrophobicContact CG-CG 3.78Å; P169-V285 HydrophobicContact CG-CG2 4Å; P169-V285 WeakPolarHBondContact O-CG2 3.4Å
170	S	94.5	Very high	92.3	Very high	53 Å²	53	49.8 Å²	49.8	37%	0.371	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-69.7	144.9	163.6	176.7	0	0	0	0	109.4	S172 D173 P282	S170-S172 PolarHBondContact O-N 3.34Å; S170-S172 PolarHBondContact OG-N 2.56Å; S170-S172 PolarHBondContact OG-OG 3.39Å; S170-D173 PolarHBondContact N-OD2 2.82Å; S170-D173 VanDerWaalsContact O-CB 3.32Å; S170-D173 WeakPolarHBondContact O-CB 3.47Å; S170-D173 PolarHBondContact O-N 2.82Å; S170-P282 WeakPolarHBondContact O-CB 3.49Å
171	K	93.9	Very high	92.3	Very high	133 Å²	133	49.6 Å²	49.6	58%	0.578	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.9	172.5	68	-179.1	-173.4	179.2	0	114.2	V285 E286	K171-V285 HydrophobicContact CB-CB 4.32Å; K171-E286 HydrophobicContact CD-CG 4.04Å; K171-E286 WeakPolarHBondContact CD-OE1 3.47Å; K171-E286 WeakPolarHBondContact CE-OE1 3.4Å; K171-E286 IonicContact NZ-OE1 2.81Å; K171-E286 PolarHBondContact NZ-OE1 2.97Å
172	S	94	Very high	92.4	Very high	91 Å²	91	47.8 Å²	47.8	64%	0.636	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	1	178.2	67.8	0	0	0	0	113.8	S170 K174	S170-S172 PolarHBondContact O-N 3.34Å; S170-S172 PolarHBondContact OG-N 2.56Å; S170-S172 PolarHBondContact OG-OG 3.39Å; S172-K174 PolarHBondContact O-N 2.83Å
173	D	94.5	Very high	92.5	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.139	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-66	130.1	179.9	-80.9	-20.1	0	0	0	109.7	P169 S170 K252 Y259 F280 P282	P169-D173 HydrophobicContact CB-CB 4.29Å; S170-D173 PolarHBondContact N-OD2 2.82Å; S170-D173 VanDerWaalsContact O-CB 3.32Å; S170-D173 WeakPolarHBondContact O-CB 3.47Å; S170-D173 PolarHBondContact O-N 2.82Å; D173-K252 IonicContact OD1-NZ 3.19Å; D173-K252 PolarHBondContact OD1-NZ 3.19Å; D173-K252 IonicContact OD2-NZ 3.81Å; D173-K252 PolarHBondContact OD2-NZ 2.79Å; D173-Y259 HydrophobicContact CB-CE1 3.89Å; D173-Y259 PolarHBondContact OD2-OH 3.11Å; D173-F280 WeakPolarHBondContact O-CZ 3.32Å; D173-P282 HydrophobicContact CB-CB 4.45Å; D173-P282 HydrophobicContact CB-CG 4.24Å
174	K	94.1	Very high	92.5	Very high	180 Å²	180	46.3 Å²	46.3	78%	0.783	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-85.2	165.1	176	-62.7	-173.4	179.2	-175.1	0	111	S172 Y259	S172-K174 PolarHBondContact O-N 2.83Å; K174-Y259 WeakPolarHBondContact O-CE1 3.45Å
175	L	92.5	Very high	92.3	Very high	44 Å²	44	45.5 Å²	45.5	23%	0.23	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-54	123.4	174.9	-169.2	68.1	0	0	0	110.5	V177 I208 L209 F230 F280	L175-V177 HydrophobicContact CD2-CG2 3.94Å; L175-V177 HydrophobicContact CG-CG2 4.08Å; L175-V177 PolarHBondContact O-N 2.86Å; L175-I208 HydrophobicContact CD1-CG2 3.58Å; L175-I208 HydrophobicContact CD2-CG2 3.85Å; L175-I208 HydrophobicContact CG-CG2 3.52Å; L175-L209 WeakPolarHBondContact CD2-O 3.35Å; L175-F230 HydrophobicContact CD1-CB 3.59Å; L175-F230 HydrophobicContact CD1-CD1 4.12Å; L175-F230 HydrophobicContact CD1-CD2 3.59Å; L175-F230 HydrophobicContact CD1-CE2 4.25Å; L175-F230 HydrophobicContact CD1-CG 3.49Å; L175-F230 VanDerWaalsContact CD1-CG 3.49Å; L175-F230 HydrophobicContact CD2-CB 4.33Å; L175-F280 HydrophobicContact CD1-CD2 4.22Å; L175-F280 HydrophobicContact CD1-CE2 4.07Å
176	P	91.3	Very high	91.8	Very high	10 Å²	10	45.6 Å²	45.6	7%	0.065	25%	0.253	C	S	.	.			trans	-84.7	56.8	-169.6	34.8	-35.8	0	0	0	111.8	G178 K179 I208 C250 Y259	P176-G178 PolarHBondContact O-N 3.15Å; P176-K179 HydrophobicContact CB-CB 3.96Å; P176-K179 HydrophobicContact CB-CG 3.7Å; P176-K179 VanDerWaalsContact O-CB 3.3Å; P176-K179 WeakPolarHBondContact O-CB 3.47Å; P176-K179 WeakPolarHBondContact O-CG 3.31Å; P176-K179 PolarHBondContact O-N 2.88Å; P176-K179 VanDerWaalsContact O-N 3.07Å; P176-I208 HydrophobicContact CG-CG1 4.3Å; P176-C250 HydrophobicContact CG-CB 4.25Å; P176-C250 VanDerWaalsContact CG-SG 3.5Å; P176-Y259 HydrophobicContact CB-CD1 4.46Å; P176-Y259 HydrophobicContact CB-CE1 4.16Å; P176-Y259 HydrophobicContact CB-CE2 4.37Å; P176-Y259 HydrophobicContact CG-CD1 3.64Å; P176-Y259 HydrophobicContact CG-CD2 4.04Å; P176-Y259 HydrophobicContact CG-CE1 3.83Å; P176-Y259 HydrophobicContact CG-CE2 4.21Å; P176-Y259 HydrophobicContact CG-CG 3.72Å
177	V	92.1	Very high	90.6	Very high	68 Å²	68	45.7 Å²	45.7	41%	0.412	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	132.1	178	-179.5	0	0	0	0	110.4	L175 K179 I208 T210	L175-V177 HydrophobicContact CD2-CG2 3.94Å; L175-V177 HydrophobicContact CG-CG2 4.08Å; L175-V177 PolarHBondContact O-N 2.86Å; V177-K179 PolarHBondContact O-N 3.4Å; V177-I208 HydrophobicContact CG2-CG2 4.3Å; V177-T210 HydrophobicContact CG1-CG2 3.99Å; V177-T210 HydrophobicContact CG2-CG2 4.4Å
178	G	87.3	Confident	88.9	Confident	74 Å²	74	45.5 Å²	45.5	76%	0.763	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	4.5	-178.1	0	0	0	0	0	115.2	P176	P176-G178 PolarHBondContact O-N 3.15Å
179	K	88.6	Confident	87.1	Confident	128 Å²	128	45.3 Å²	45.3	56%	0.557	25%	0.254	S	S	*	.	S	Bend	trans	-84.9	157.9	171.7	-57.6	-59.9	-177.3	-178.5	0	111.3	P176 V177 C181	P176-K179 HydrophobicContact CB-CB 3.96Å; P176-K179 HydrophobicContact CB-CG 3.7Å; P176-K179 VanDerWaalsContact O-CB 3.3Å; P176-K179 WeakPolarHBondContact O-CB 3.47Å; P176-K179 WeakPolarHBondContact O-CG 3.31Å; P176-K179 PolarHBondContact O-N 2.88Å; P176-K179 VanDerWaalsContact O-N 3.07Å; V177-K179 PolarHBondContact O-N 3.4Å; K179-C181 PolarHBondContact O-N 3.09Å
180	E	84.8	Confident	85	Confident	74 Å²	74	49.9 Å²	49.9	35%	0.346	27%	0.273	S	S	.	.			trans	-73.5	110.5	174.7	-179	170.7	-136.6	0	0	109.3	Y182 C250 K251	E180-Y182 HydrophobicContact CG-CE2 3.71Å; E180-Y182 PolarHBondContact OE1-OH 2.05Å; E180-C250 CarbonylContact O-C 3.6Å; E180-C250 WeakPolarHBondContact O-CA 3.21Å; E180-K251 HydrophobicContact CB-CB 4.29Å; E180-K251 PolarHBondContact O-N 3.02Å; E180-K251 WeakPolarHBondContact OE2-CD 3.1Å; E180-K251 IonicContact OE2-NZ 3.8Å; E180-K251 PolarHBondContact OE2-NZ 3.22Å
181	C	89.9	Confident	82.6	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148	-177.7	-58.2	0	0	0	0	110.9	K179 D205 V206 I208 L248 V249 C250	K179-C181 PolarHBondContact O-N 3.09Å; C181-D205 WeakPolarHBondContact O-CA 3.11Å; C181-V206 HydrophobicContact CB-CG2 4.2Å; C181-V206 PolarHBondContact O-N 3.3Å; C181-I208 HydrophobicContact CB-CD1 4.05Å; C181-I208 HydrophobicContact CB-CG1 4.25Å; C181-I208 VanDerWaalsContact SG-CG1 3.56Å; C181-L248 HydrophobicContact CB-CD2 4.04Å; C181-V249 CarbonylContact C-O 3.5Å; C181-V249 VanDerWaalsContact CA-O 3.22Å; C181-V249 WeakPolarHBondContact CA-O 3.48Å; C181-C250 HydrophobicContact CB-CB 4.09Å; C181-C250 WeakPolarHBondContact CB-SG 3.06Å; C181-C250 WeakPolarHBondContact SG-CB 3.29Å; C181-C250 CovalentContact SG-SG 2.04Å; C181-C250 PolarHBondContact SG-SG 2.85Å
182	Y	89.3	Confident	80	Confident	10 Å²	10	51.1 Å²	51.1	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.3	-179	-53.1	-85.8	0	0	0	111.5	W46 E180 M203 V204 D205 L248 V249 F256	W46-Y182 AromaticContact CH2-CD1 3.92Å; W46-Y182 HydrophobicContact CH2-CD1 3.92Å; W46-Y182 AromaticContact CH2-CE1 3.84Å; W46-Y182 HydrophobicContact CH2-CE1 3.84Å; W46-Y182 AromaticContact CZ2-CD1 3.91Å; W46-Y182 HydrophobicContact CZ2-CD1 3.91Å; W46-Y182 AromaticContact CZ2-CE1 3.84Å; W46-Y182 HydrophobicContact CZ2-CE1 3.84Å; E180-Y182 HydrophobicContact CG-CE2 3.71Å; E180-Y182 PolarHBondContact OE1-OH 2.05Å; Y182-M203 HydrophobicContact CD1-CG 4.32Å; Y182-M203 HydrophobicContact CD1-SD 4.08Å; Y182-M203 HydrophobicContact CD2-CE 4.45Å; Y182-M203 HydrophobicContact CG-CE 3.94Å; Y182-M203 HydrophobicContact CG-CG 4.44Å; Y182-M203 HydrophobicContact CG-SD 3.94Å; Y182-V204 CarbonylContact C-O 3.56Å; Y182-V204 WeakPolarHBondContact CA-O 3.21Å; Y182-D205 HydrophobicContact CD1-CB 4.04Å; Y182-D205 HydrophobicContact CE1-CB 4.08Å; Y182-L248 CarbonylContact O-C 3.48Å; Y182-L248 WeakPolarHBondContact O-CA 3.41Å; Y182-V249 PolarHBondContact N-O 3.39Å; Y182-V249 PolarHBondContact O-N 3.12Å; Y182-F256 AromaticContact CD2-CE1 3.72Å; Y182-F256 HydrophobicContact CD2-CE1 3.72Å; Y182-F256 HydrophobicContact CD2-CZ 4.44Å; Y182-F256 AromaticContact CE2-CE1 3.67Å; Y182-F256 HydrophobicContact CE2-CE1 3.67Å; Y182-F256 HydrophobicContact CE2-CZ 4.05Å
183	V	90.5	Very high	77.6	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.4	171.6	-177.3	0	0	0	0	108.6	M203 V204 V206 A239 P247 L248 V262 Y278	V183-M203 CarbonylContact O-C 3.42Å; V183-M203 WeakPolarHBondContact O-CA 3.27Å; V183-M203 WeakPolarHBondContact O-CG 3.39Å; V183-V204 HydrophobicContact CB-CG1 3.95Å; V183-V204 PolarHBondContact N-O 3.34Å; V183-V204 PolarHBondContact O-N 3.16Å; V183-V206 HydrophobicContact CG2-CG1 3.92Å; V183-V206 HydrophobicContact CG2-CG2 3.75Å; V183-A239 HydrophobicContact CG1-CB 4.01Å; V183-P247 WeakPolarHBondContact CA-O 3.35Å; V183-L248 HydrophobicContact CG2-CB 3.97Å; V183-L248 HydrophobicContact CG2-CD1 3.82Å; V183-L248 HydrophobicContact CG2-CG 3.81Å; V183-V262 HydrophobicContact CG1-CG2 3.7Å; V183-Y278 HydrophobicContact CG1-CE1 4.4Å; V183-Y278 HydrophobicContact CG2-CE1 3.77Å; V183-Y278 WeakPolarHBondContact CG2-OH 3.19Å
184	S	90.9	Very high	75.1	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.014	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149	176.4	56.8	0	0	0	0	112	H56 L202 P247	H56-S184 PolarHBondContact CE1-O 3.47Å; H56-S184 PolarHBondContact ND1-OG 3.07Å; S184-L202 WeakPolarHBondContact CA-O 3.46Å; S184-L202 WeakPolarHBondContact CB-O 3.41Å; S184-P247 PolarHBondContact N-O 2.73Å; S184-P247 WeakPolarHBondContact OG-CG 3.47Å
185	G	89.8	Confident	72.6	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	173.6	-179.6	0	0	0	0	0	113.5	L202 D243	G185-L202 PolarHBondContact N-O 2.88Å; G185-L202 PolarHBondContact O-N 3.49Å; G185-D243 VanDerWaalsContact CA-OD1 3.25Å; G185-D243 WeakPolarHBondContact CA-OD1 3.33Å
186	H	85.2	Confident	70.9	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.014	30%	0.302	C	S	.	.	S	Bend	trans	-103.7	18.8	177.2	-68.5	93.9	0	0	0	111.8	H117 R119 T197 S198 N199 K200 L201 D243	H117-H186 PolarHBondContact O-NE2 2.92Å; R119-H186 VanDerWaalsContact CD-CG 3.47Å; H186-T197 VanDerWaalsContact O-CB 3.27Å; H186-T197 WeakPolarHBondContact O-CB 3.28Å; H186-S198 PolarHBondContact O-N 2.97Å; H186-N199 PolarHBondContact CD2-O 3.41Å; H186-K200 PolarHBondContact CD2-O 2.83Å; H186-L201 PolarHBondContact CD2-N 3.29Å; H186-L201 WeakPolarHBondContact NE2-CA 3.36Å; H186-L201 PolarHBondContact NE2-N 3.08Å; H186-D243 PolarHBondContact N-OD1 3.27Å
187	G	70.4	Confident	69.7	Low	2 Å²	2	51.7 Å²	51.7	2%	0.021	31%	0.307	C	S	.	.			trans	-65.4	-176	-175	0	0	0	0	0	115	S198 A241 D243	G187-S198 PolarHBondContact O-N 2.72Å; G187-S198 VanDerWaalsContact O-N 3.08Å; G187-A241 CarbonylContact C-O 3.49Å; G187-A241 WeakPolarHBondContact CA-O 3.5Å; G187-D243 WeakPolarHBondContact CA-OD1 3.21Å; G187-D243 PolarHBondContact N-OD1 3.16Å
188	A	61.5	Low	68.7	Low	9 Å²	9	49.5 Å²	49.5	7%	0.074	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-69.7	132.5	178.7	0	0	0	0	0	110.9	R240 A241	A188-R240 WeakPolarHBondContact O-CB 3.47Å; A188-A241 PolarHBondContact N-O 3.31Å
189	T	57.9	Low	68.4	Low	32 Å²	32	50 Å²	50	20%	0.196	28%	0.28	C	S	.	.	S	Bend	trans	-89.4	-10.1	179.3	61.4	0	0	0	0	113.5	I42 L202	I42-T189 HydrophobicContact CB-CG2 4.14Å; I42-T189 HydrophobicContact CD1-CG2 3.93Å; I42-T189 WeakPolarHBondContact CD1-OG1 3.05Å; I42-T189 HydrophobicContact CG1-CG2 4.3Å; I42-T189 HydrophobicContact CG2-CG2 4.38Å; T189-L202 HydrophobicContact CG2-CD1 3.21Å
190	F	52.8	Low	68.1	Low	102 Å²	102	47.3 Å²	47.3	45%	0.447	27%	0.269	S	S	.	.	S	Bend	trans	-154.8	143.5	179.1	-139.5	-94.6	0	0	0	109.8	L192	F190-L192 VanDerWaalsContact C-N 3.33Å; F190-L192 HydrophobicContact CD1-CB 4.2Å; F190-L192 HydrophobicContact CD1-CD1 4.02Å; F190-L192 HydrophobicContact CD1-CG 3.96Å; F190-L192 HydrophobicContact CE1-CD1 3.82Å; F190-L192 HydrophobicContact CE1-CG 4.08Å; F190-L192 PolarHBondContact O-N 2.95Å
191	M	43.9	Very low	68.2	Low	58 Å²	58	44 Å²	44	29%	0.286	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.4	-175.3	-70.6	-165.4	-55	0	0	114.5	N193 A269 F272	M191-N193 PolarHBondContact O-N 2.93Å; M191-N193 VanDerWaalsContact O-N 3.1Å; M191-A269 VanDerWaalsContact CE-CA 3.45Å; M191-A269 HydrophobicContact CE-CB 3.72Å; M191-F272 HydrophobicContact CE-CD1 3.6Å; M191-F272 HydrophobicContact CE-CE1 3.32Å; M191-F272 HydrophobicContact CE-CZ 4.06Å
192	L	38	Very low	67.9	Low	154 Å²	154	45.4 Å²	45.4	81%	0.806	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.1	-173.3	-69	174.3	0	0	0	113.6	F190	F190-L192 VanDerWaalsContact C-N 3.33Å; F190-L192 HydrophobicContact CD1-CB 4.2Å; F190-L192 HydrophobicContact CD1-CD1 4.02Å; F190-L192 HydrophobicContact CD1-CG 3.96Å; F190-L192 HydrophobicContact CE1-CD1 3.82Å; F190-L192 HydrophobicContact CE1-CG 4.08Å; F190-L192 PolarHBondContact O-N 2.95Å
193	N	43.7	Very low	67.6	Low	91 Å²	91	45 Å²	45	49%	0.487	26%	0.259	S	S	.	.			trans	-146	88.8	170	-162.9	-7.3	0	0	0	110.7	M191 A195 S196	M191-N193 PolarHBondContact O-N 2.93Å; M191-N193 VanDerWaalsContact O-N 3.1Å; N193-A195 PolarHBondContact O-N 2.96Å; N193-A195 WeakPolarHBondContact OD1-CB 3.48Å; N193-A195 PolarHBondContact OD1-N 3.16Å; N193-S196 PolarHBondContact O-N 3.25Å
194	P	42.3	Very low	67	Low	89 Å²	89	45.6 Å²	45.6	58%	0.578	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-19.1	177.2	-17.8	28.1	0	0	0	113	S196	P194-S196 VanDerWaalsContact C-N 3.34Å
195	A	42.3	Very low	66.4	Low	85 Å²	85	46.7 Å²	46.7	70%	0.702	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.4	175.7	0	0	0	0	0	113.6	N193 T197	N193-A195 PolarHBondContact O-N 2.96Å; N193-A195 WeakPolarHBondContact OD1-CB 3.48Å; N193-A195 PolarHBondContact OD1-N 3.16Å; A195-T197 PolarHBondContact O-N 2.83Å
196	S	56.1	Low	66.1	Low	71 Å²	71	46.8 Å²	46.8	50%	0.497	27%	0.268	S	S	.	.			trans	-91.6	69.7	-179.1	-174.3	0	0	0	0	111.3	N193 P194	N193-S196 PolarHBondContact O-N 3.25Å; P194-S196 VanDerWaalsContact C-N 3.34Å
197	T	66.5	Low	66.1	Low	28 Å²	28	51.6 Å²	51.6	17%	0.172	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-75.4	145	171.5	60.9	0	0	0	0	111.2	Q72 R119 H186 A195 N199	Q72-T197 VanDerWaalsContact NE2-CB 3.35Å; Q72-T197 PolarHBondContact NE2-OG1 3.45Å; Q72-T197 VanDerWaalsContact NE2-OG1 3.1Å; R119-T197 PolarHBondContact NH2-O 2.03Å; R119-T197 PolarHBondContact NH2-OG1 3.48Å; H186-T197 VanDerWaalsContact O-CB 3.27Å; H186-T197 WeakPolarHBondContact O-CB 3.28Å; A195-T197 PolarHBondContact O-N 2.83Å; T197-N199 PolarHBondContact O-N 3.04Å
198	S	71.7	Confident	67.2	Low	21 Å²	21	51.8 Å²	51.8	15%	0.147	30%	0.295	C	S	.	.			trans	-69.1	128.7	-174.8	177.1	0	0	0	0	111.8	R119 H186 G187 K200	R119-S198 PolarHBondContact NE-O 3.04Å; R119-S198 VanDerWaalsContact NH2-C 3.27Å; R119-S198 PolarHBondContact NH2-O 3.42Å; H186-S198 PolarHBondContact O-N 2.97Å; G187-S198 PolarHBondContact O-N 2.72Å; G187-S198 VanDerWaalsContact O-N 3.08Å; S198-K200 WeakPolarHBondContact CB-O 3.2Å; S198-K200 PolarHBondContact O-N 2.67Å; S198-K200 PolarHBondContact OG-N 2.81Å; S198-K200 VanDerWaalsContact OG-N 3.13Å; S198-K200 PolarHBondContact OG-O 3.25Å
199	N	81.3	Confident	68.6	Low	85 Å²	85	52.2 Å²	52.2	46%	0.455	30%	0.296	S	S	.	.	S	Bend	trans	-61.6	-31	171	-75.4	-30.5	0	0	0	111.8	D118 R119 T120 H186 T197	D118-N199 CarbonylContact C-O 3.44Å; D118-N199 WeakPolarHBondContact CA-O 3.32Å; R119-N199 PolarHBondContact N-O 2.72Å; T120-N199 HydrophobicContact CG2-CB 3.89Å; T120-N199 WeakPolarHBondContact CG2-ND2 3.31Å; H186-N199 PolarHBondContact CD2-O 3.41Å; T197-N199 PolarHBondContact O-N 3.04Å
200	K	82.4	Confident	70.4	Confident	72 Å²	72	52.6 Å²	52.6	31%	0.313	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-96.6	148	-177.3	-56.4	-165.2	176.7	-167.6	0	112.1	E47 H117 H186 S198 L202	E47-K200 VanDerWaalsContact CD-NZ 3.27Å; E47-K200 HydrophobicContact CG-CB 4.22Å; E47-K200 HydrophobicContact CG-CD 4.14Å; E47-K200 WeakPolarHBondContact OE1-CD 3.35Å; E47-K200 IonicContact OE1-NZ 3.03Å; E47-K200 PolarHBondContact OE1-NZ 2.85Å; E47-K200 WeakPolarHBondContact OE2-CD 3.43Å; E47-K200 IonicContact OE2-NZ 3.87Å; E47-K200 PolarHBondContact OE2-NZ 3.46Å; H117-K200 CarbonylContact O-C 3.57Å; H117-K200 WeakPolarHBondContact O-CA 3.45Å; H186-K200 PolarHBondContact CD2-O 2.83Å; S198-K200 WeakPolarHBondContact CB-O 3.2Å; S198-K200 PolarHBondContact O-N 2.67Å; S198-K200 PolarHBondContact OG-N 2.81Å; S198-K200 VanDerWaalsContact OG-N 3.13Å; S198-K200 PolarHBondContact OG-O 3.25Å; K200-L202 PolarHBondContact O-N 3.32Å
201	L	86.4	Confident	72.2	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.026	30%	0.3	C	S	.	.			trans	-67.8	125.8	177.3	-178	60.8	0	0	0	109.3	A48 L53 H56 H117 H186	A48-L201 HydrophobicContact CB-CB 4.39Å; A48-L201 HydrophobicContact CB-CD2 4.14Å; A48-L201 HydrophobicContact CB-CG 3.97Å; A48-L201 PolarHBondContact N-O 3.17Å; L53-L201 HydrophobicContact CB-CD2 4.14Å; L53-L201 HydrophobicContact CD1-CD2 3.96Å; L53-L201 HydrophobicContact CD1-CG 4.42Å; H56-L201 HydrophobicContact CB-CD2 4.22Å; H117-L201 PolarHBondContact O-N 3.02Å; H186-L201 PolarHBondContact CD2-N 3.29Å; H186-L201 WeakPolarHBondContact NE2-CA 3.36Å; H186-L201 PolarHBondContact NE2-N 3.08Å
202	L	82.7	Confident	74.5	Confident	31 Å²	31	55.9 Å²	55.9	16%	0.162	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	159.8	177.9	-54.5	-178.9	0	0	0	110.2	W46 E47 S184 G185 T189 K200	W46-L202 CarbonylContact O-C 3.57Å; W46-L202 WeakPolarHBondContact O-CA 3.35Å; E47-L202 HydrophobicContact CB-CD2 4.21Å; S184-L202 WeakPolarHBondContact CA-O 3.46Å; S184-L202 WeakPolarHBondContact CB-O 3.41Å; G185-L202 PolarHBondContact N-O 2.88Å; G185-L202 PolarHBondContact O-N 3.49Å; T189-L202 HydrophobicContact CG2-CD1 3.21Å; K200-L202 PolarHBondContact O-N 3.32Å
203	M	83.5	Confident	77	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.9	174.1	-176	170.8	-116.3	0	0	110.8	I35 G45 W46 A48 L53 Y182 V183 V249	I35-M203 HydrophobicContact CG2-CE 3.96Å; I35-M203 HydrophobicContact CG2-SD 3.29Å; I35-M203 WeakPolarHBondContact CG2-SD 3.48Å; G45-M203 CarbonylContact C-O 3.56Å; G45-M203 VanDerWaalsContact CA-O 3.31Å; G45-M203 WeakPolarHBondContact CA-O 3.21Å; W46-M203 HydrophobicContact CZ2-CG 4.2Å; W46-M203 HydrophobicContact CZ2-SD 4.48Å; W46-M203 PolarHBondContact N-O 2.94Å; W46-M203 PolarHBondContact O-N 3Å; A48-M203 HydrophobicContact CB-CB 4.32Å; L53-M203 HydrophobicContact CD1-CB 4.4Å; L53-M203 HydrophobicContact CD1-CE 3.66Å; L53-M203 HydrophobicContact CD1-SD 4.05Å; L53-M203 HydrophobicContact CD2-CE 3.33Å; L53-M203 HydrophobicContact CD2-SD 4.05Å; L53-M203 HydrophobicContact CG-CE 4.12Å; Y182-M203 HydrophobicContact CD1-CG 4.32Å; Y182-M203 HydrophobicContact CD1-SD 4.08Å; Y182-M203 HydrophobicContact CD2-CE 4.45Å; Y182-M203 HydrophobicContact CG-CE 3.94Å; Y182-M203 HydrophobicContact CG-CG 4.44Å; Y182-M203 HydrophobicContact CG-SD 3.94Å; V183-M203 CarbonylContact O-C 3.42Å; V183-M203 WeakPolarHBondContact O-CA 3.27Å; V183-M203 WeakPolarHBondContact O-CG 3.39Å; M203-V249 HydrophobicContact CE-CG2 4.39Å
204	V	77.3	Confident	79.3	Confident	13 Å²	13	49.1 Å²	49.1	8%	0.079	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.4	176.1	52.5	0	0	0	0	110	N44 Y182 V183 V206 R237	N44-V204 WeakPolarHBondContact O-CG2 3.04Å; Y182-V204 CarbonylContact C-O 3.56Å; Y182-V204 WeakPolarHBondContact CA-O 3.21Å; V183-V204 HydrophobicContact CB-CG1 3.95Å; V183-V204 PolarHBondContact N-O 3.34Å; V183-V204 PolarHBondContact O-N 3.16Å; V204-V206 HydrophobicContact CG1-CG1 4.15Å; V204-V206 HydrophobicContact CG2-CG1 4.22Å; V204-R237 HydrophobicContact CG2-CB 3.76Å; V204-R237 HydrophobicContact CG2-CG 4.23Å
205	D	79.3	Confident	81.6	Confident	26 Å²	26	47.9 Å²	47.9	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.5	165.2	63.4	-51.4	0	0	0	110.4	W46 C181 Y182 R237	W46-D205 HydrophobicContact CH2-CB 3.88Å; W46-D205 HydrophobicContact CZ3-CB 4.28Å; W46-D205 WeakPolarHBondContact CZ3-OD1 3.32Å; C181-D205 WeakPolarHBondContact O-CA 3.11Å; Y182-D205 HydrophobicContact CD1-CB 4.04Å; Y182-D205 HydrophobicContact CE1-CB 4.08Å; D205-R237 IonicContact OD1-CZ 3.04Å; D205-R237 IonicContact OD1-NH1 3.98Å; D205-R237 PolarHBondContact OD1-NH1 3.02Å; D205-R237 IonicContact OD2-NH1 3.03Å; D205-R237 PolarHBondContact OD2-NH1 3.27Å
206	V	82.4	Confident	83.7	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.024	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139	179.4	-63.8	0	0	0	0	111	C181 V183 V204 A232 L248	C181-V206 HydrophobicContact CB-CG2 4.2Å; C181-V206 PolarHBondContact O-N 3.3Å; V183-V206 HydrophobicContact CG2-CG1 3.92Å; V183-V206 HydrophobicContact CG2-CG2 3.75Å; V204-V206 HydrophobicContact CG1-CG1 4.15Å; V204-V206 HydrophobicContact CG2-CG1 4.22Å; V206-A232 HydrophobicContact CB-CB 4.17Å; V206-A232 HydrophobicContact CG2-CB 3.93Å; V206-L248 HydrophobicContact CG2-CD1 3.84Å; V206-L248 HydrophobicContact CG2-CG 4.25Å
207	N	86	Confident	85	Confident	104 Å²	104	50.7 Å²	50.7	56%	0.556	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-82.4	132.1	167	-68.6	-36.6	0	0	0	109.2	L209 A232 G233	N207-L209 WeakPolarHBondContact O-CD1 3.43Å; N207-A232 CarbonylContact O-C 3.55Å; N207-A232 VanDerWaalsContact O-CA 3.23Å; N207-A232 WeakPolarHBondContact O-CA 3.43Å; N207-G233 PolarHBondContact O-N 3.42Å
208	I	92.8	Very high	85.8	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.031	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-79.9	124.8	171.5	-50	-66.7	0	0	0	108.2	L175 P176 V177 C181 F230 A232 L248	L175-I208 HydrophobicContact CD1-CG2 3.58Å; L175-I208 HydrophobicContact CD2-CG2 3.85Å; L175-I208 HydrophobicContact CG-CG2 3.52Å; P176-I208 HydrophobicContact CG-CG1 4.3Å; V177-I208 HydrophobicContact CG2-CG2 4.3Å; C181-I208 HydrophobicContact CB-CD1 4.05Å; C181-I208 HydrophobicContact CB-CG1 4.25Å; C181-I208 VanDerWaalsContact SG-CG1 3.56Å; I208-F230 HydrophobicContact CD1-CD2 4.38Å; I208-F230 HydrophobicContact CD1-CE2 3.67Å; I208-F230 HydrophobicContact CG2-CD2 4.02Å; I208-F230 HydrophobicContact CG2-CE2 4.28Å; I208-A232 HydrophobicContact CD1-CB 3.76Å; I208-L248 HydrophobicContact CD1-CD1 3.97Å; I208-L248 HydrophobicContact CD1-CD2 3.9Å
209	L	92.1	Very high	86	Confident	18 Å²	18	51.5 Å²	51.5	9%	0.094	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-81.4	146.8	-179.6	-83.5	61.9	0	0	0	109.8	L175 N207 Q213 C214 D217 C231	L175-L209 WeakPolarHBondContact CD2-O 3.35Å; N207-L209 WeakPolarHBondContact O-CD1 3.43Å; L209-Q213 HydrophobicContact CB-CB 3.9Å; L209-Q213 HydrophobicContact CD2-CB 4.18Å; L209-Q213 HydrophobicContact CG-CB 3.99Å; L209-C214 HydrophobicContact CB-CB 4.31Å; L209-D217 HydrophobicContact CD2-CB 4.39Å; L209-C231 HydrophobicContact CB-CB 3.96Å; L209-C231 HydrophobicContact CD2-CB 3.93Å; L209-C231 HydrophobicContact CG-CB 4.44Å; L209-C231 PolarHBondContact N-O 3.03Å
210	T	94.2	Very high	85.7	Confident	39 Å²	39	53.7 Å²	53.7	24%	0.239	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.7	163.9	167	75.1	0	0	0	0	110.7	V177 E212 Q213 C214	V177-T210 HydrophobicContact CG1-CG2 3.99Å; V177-T210 HydrophobicContact CG2-CG2 4.4Å; T210-E212 WeakPolarHBondContact CB-OE2 3.35Å; T210-E212 PolarHBondContact O-N 2.74Å; T210-E212 PolarHBondContact OG1-OE2 3.13Å; T210-Q213 PolarHBondContact O-N 3.38Å; T210-Q213 VanDerWaalsContact O-N 3.17Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.41Å; T210-Q213 PolarHBondContact OG1-N 2.89Å; T210-C214 VanDerWaalsContact O-CB 3.29Å; T210-C214 WeakPolarHBondContact O-CB 3.26Å; T210-C214 PolarHBondContact O-N 3.11Å
211	E	92.1	Very high	85.4	Confident	106 Å²	106	54.3 Å²	54.3	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-57.6	-37.1	177.3	-66.1	-174.5	-168.4	0	0	111.7	S215 H226	E211-S215 VanDerWaalsContact O-CB 3.28Å; E211-S215 WeakPolarHBondContact O-CB 3.4Å; E211-S215 PolarHBondContact O-N 3.27Å; E211-S215 PolarHBondContact O-OG 2.79Å; E211-H226 HydrophobicContact CG-CB 4.02Å; E211-H226 PolarHBondContact O-CE1 3.15Å
212	E	91.4	Very high	85	Confident	124 Å²	124	59.8 Å²	59.8	58%	0.579	33%	0.328	S	S	*	.	H	α-helix	trans	-68.4	-42.9	177.7	-53.8	78.7	-172.5	0	0	111.7	T210 K216	T210-E212 WeakPolarHBondContact CB-OE2 3.35Å; T210-E212 PolarHBondContact O-N 2.74Å; T210-E212 PolarHBondContact OG1-OE2 3.13Å; E212-K216 WeakPolarHBondContact O-CG 3.4Å; E212-K216 PolarHBondContact O-N 3.08Å; E212-K216 VanDerWaalsContact O-N 3.17Å
213	Q	91.4	Very high	85	Confident	102 Å²	102	61.8 Å²	61.8	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-65.7	-44.7	176.5	-70.8	171.8	-24.1	0	0	110.9	L209 T210 K216 D217	L209-Q213 HydrophobicContact CB-CB 3.9Å; L209-Q213 HydrophobicContact CD2-CB 4.18Å; L209-Q213 HydrophobicContact CG-CB 3.99Å; T210-Q213 PolarHBondContact O-N 3.38Å; T210-Q213 VanDerWaalsContact O-N 3.17Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.41Å; T210-Q213 PolarHBondContact OG1-N 2.89Å; Q213-K216 PolarHBondContact O-N 3.17Å; Q213-D217 PolarHBondContact O-N 2.8Å; Q213-D217 VanDerWaalsContact O-N 3.14Å
214	C	91	Very high	85.3	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-43.9	177.4	-177.7	0	0	0	0	110.9	L209 T210 K216 D217 M218 F224 C231	L209-C214 HydrophobicContact CB-CB 4.31Å; T210-C214 VanDerWaalsContact O-CB 3.29Å; T210-C214 WeakPolarHBondContact O-CB 3.26Å; T210-C214 PolarHBondContact O-N 3.11Å; C214-K216 VanDerWaalsContact C-N 3.28Å; C214-K216 PolarHBondContact O-N 3.04Å; C214-D217 WeakPolarHBondContact O-CB 3.09Å; C214-D217 PolarHBondContact O-N 2.95Å; C214-M218 WeakPolarHBondContact O-CG 3.41Å; C214-M218 PolarHBondContact O-N 3.4Å; C214-F224 WeakPolarHBondContact SG-CE1 3.47Å; C214-C231 WeakPolarHBondContact CA-SG 3.43Å; C214-C231 HydrophobicContact CB-CB 3.47Å; C214-C231 VanDerWaalsContact CB-CB 3.47Å; C214-C231 WeakPolarHBondContact CB-SG 3.46Å; C214-C231 WeakPolarHBondContact SG-CB 3.21Å; C214-C231 PolarHBondContact SG-N 2.85Å; C214-C231 VanDerWaalsContact SG-N 3.44Å; C214-C231 CovalentContact SG-SG 2.03Å; C214-C231 PolarHBondContact SG-SG 2.63Å
215	S	90.1	Very high	86	Confident	63 Å²	63	65.1 Å²	65.1	44%	0.441	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-36.2	177.2	-60	0	0	0	0	112.7	E211 D217 H226	E211-S215 VanDerWaalsContact O-CB 3.28Å; E211-S215 WeakPolarHBondContact O-CB 3.4Å; E211-S215 PolarHBondContact O-N 3.27Å; E211-S215 PolarHBondContact O-OG 2.79Å; S215-D217 VanDerWaalsContact C-N 3.32Å; S215-H226 PolarHBondContact OG-CE1 2.03Å; S215-H226 PolarHBondContact OG-NE2 2.83Å
216	K	87	Confident	86.6	Confident	187 Å²	187	66 Å²	66	81%	0.813	36%	0.362	S	S	*	.	H	α-helix	trans	-71.8	-25	174.7	-71.2	174.4	-177.3	-180	0	113.3	E212 Q213 C214	E212-K216 WeakPolarHBondContact O-CG 3.4Å; E212-K216 PolarHBondContact O-N 3.08Å; E212-K216 VanDerWaalsContact O-N 3.17Å; Q213-K216 PolarHBondContact O-N 3.17Å; C214-K216 VanDerWaalsContact C-N 3.28Å; C214-K216 PolarHBondContact O-N 3.04Å
217	D	83.2	Confident	87.2	Confident	28 Å²	28	69.4 Å²	69.4	15%	0.15	39%	0.385	C	S	.	.	H	α-helix	trans	-85.3	-14.7	-179.7	-170.6	80.7	0	0	0	113.2	L209 Q213 C214 S215 R274 S275 K277	L209-D217 HydrophobicContact CD2-CB 4.39Å; Q213-D217 PolarHBondContact O-N 2.8Å; Q213-D217 VanDerWaalsContact O-N 3.14Å; C214-D217 WeakPolarHBondContact O-CB 3.09Å; C214-D217 PolarHBondContact O-N 2.95Å; S215-D217 VanDerWaalsContact C-N 3.32Å; D217-R274 PolarHBondContact O-NH1 2.96Å; D217-R274 WeakPolarHBondContact OD1-CA 3.47Å; D217-R274 WeakPolarHBondContact OD1-CG 3.28Å; D217-S275 PolarHBondContact OD1-N 3.23Å; D217-S275 WeakPolarHBondContact OD2-CB 3.45Å; D217-S275 PolarHBondContact OD2-N 2.95Å; D217-S275 PolarHBondContact OD2-OG 2.73Å; D217-K277 IonicContact OD2-NZ 3.02Å; D217-K277 PolarHBondContact OD2-NZ 3.38Å
218	M	83.3	Confident	87.6	Confident	25 Å²	25	65.3 Å²	65.3	12%	0.123	36%	0.363	C	S	.	.	S	Bend	trans	-75	150.2	-180	-71.3	-59.6	-60.6	0	0	113.2	C214 K222 F224 F264 K277	C214-M218 WeakPolarHBondContact O-CG 3.41Å; C214-M218 PolarHBondContact O-N 3.4Å; M218-K222 HydrophobicContact CE-CB 4.31Å; M218-F224 HydrophobicContact CE-CB 3.84Å; M218-F224 HydrophobicContact CE-CD2 3.54Å; M218-F224 HydrophobicContact CE-CE2 4.33Å; M218-F224 HydrophobicContact CE-CG 3.87Å; M218-F224 HydrophobicContact CG-CB 4.43Å; M218-F224 HydrophobicContact CG-CD1 4.5Å; M218-F224 HydrophobicContact CG-CG 4.22Å; M218-F224 HydrophobicContact SD-CB 4.43Å; M218-F224 HydrophobicContact SD-CD2 3.64Å; M218-F224 HydrophobicContact SD-CE2 3.94Å; M218-F224 HydrophobicContact SD-CG 3.94Å; M218-F224 HydrophobicContact SD-CZ 4.5Å; M218-F264 HydrophobicContact CE-CE2 4.37Å; M218-K277 HydrophobicContact SD-CD 4.22Å; M218-K277 WeakPolarHBondContact SD-CE 3.3Å; M218-K277 HydrophobicContact SD-CG 4.11Å
219	D	75.7	Confident	87.8	Confident	41 Å²	41	65.1 Å²	65.1	22%	0.219	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-66.1	134.6	168.3	-70.2	-31.2	0	0	0	110.4	G221 K222 R274	D219-G221 PolarHBondContact O-N 2.83Å; D219-K222 HydrophobicContact CB-CD 3.96Å; D219-K222 HydrophobicContact CB-CG 3.98Å; D219-K222 PolarHBondContact O-N 2.96Å; D219-K222 WeakPolarHBondContact OD2-CE 3.22Å; D219-K222 IonicContact OD2-NZ 3.78Å; D219-K222 PolarHBondContact OD2-NZ 2.8Å; D219-R274 IonicContact OD1-CZ 3.47Å; D219-R274 IonicContact OD1-NH1 2.79Å; D219-R274 PolarHBondContact OD1-NH1 3.09Å; D219-R274 IonicContact OD1-NH2 3.78Å; D219-R274 PolarHBondContact OD1-NH2 2.94Å
220	P	76.1	Confident	88	Confident	130 Å²	130	64.5 Å²	64.5	84%	0.844	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	131.3	174.9	-26.4	34.1	0	0	0	112.2	K222	P220-K222 VanDerWaalsContact C-N 3.33Å; P220-K222 PolarHBondContact O-N 2.95Å
221	G	76.3	Confident	87.9	Confident	85 Å²	85	62.7 Å²	62.7	88%	0.876	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-1.6	175.3	0	0	0	0	0	116	D219	D219-G221 PolarHBondContact O-N 2.83Å
222	K	78.2	Confident	87.9	Confident	121 Å²	121	57.6 Å²	57.6	53%	0.526	32%	0.324	S	S	.	.			trans	-79.6	130.8	172	-72.8	-160.8	-178.9	160.5	0	111.1	M218 D219 P220 F224	M218-K222 HydrophobicContact CE-CB 4.31Å; D219-K222 HydrophobicContact CB-CD 3.96Å; D219-K222 HydrophobicContact CB-CG 3.98Å; D219-K222 PolarHBondContact O-N 2.96Å; D219-K222 WeakPolarHBondContact OD2-CE 3.22Å; D219-K222 IonicContact OD2-NZ 3.78Å; D219-K222 PolarHBondContact OD2-NZ 2.8Å; P220-K222 VanDerWaalsContact C-N 3.33Å; P220-K222 PolarHBondContact O-N 2.95Å; K222-F224 PolarHBondContact O-N 3.05Å
223	P	82.4	Confident	87.3	Confident	72 Å²	72	51.8 Å²	51.8	47%	0.468	30%	0.297	S	S	.	.			trans	-63.5	133.1	174.3	25.4	-31.3	0	0	0	109.8
224	F	88.6	Confident	86.2	Confident	37 Å²	37	48.7 Å²	48.7	16%	0.162	29%	0.287	C	S	.	.			trans	-148	130.3	177.6	-166.3	-99.9	0	0	0	109.5	C214 M218 K222 H226 Q229 F264 K277	C214-F224 WeakPolarHBondContact SG-CE1 3.47Å; M218-F224 HydrophobicContact CE-CB 3.84Å; M218-F224 HydrophobicContact CE-CD2 3.54Å; M218-F224 HydrophobicContact CE-CE2 4.33Å; M218-F224 HydrophobicContact CE-CG 3.87Å; M218-F224 HydrophobicContact CG-CB 4.43Å; M218-F224 HydrophobicContact CG-CD1 4.5Å; M218-F224 HydrophobicContact CG-CG 4.22Å; M218-F224 HydrophobicContact SD-CB 4.43Å; M218-F224 HydrophobicContact SD-CD2 3.64Å; M218-F224 HydrophobicContact SD-CE2 3.94Å; M218-F224 HydrophobicContact SD-CG 3.94Å; M218-F224 HydrophobicContact SD-CZ 4.5Å; K222-F224 PolarHBondContact O-N 3.05Å; F224-H226 AromaticContact CD1-CE1 3.67Å; F224-H226 AromaticContact CD1-ND1 3.86Å; F224-H226 AromaticContact CD1-NE2 3.89Å; F224-H226 AromaticContact CE1-CE1 3.62Å; F224-H226 AromaticContact CE1-ND1 3.54Å; F224-Q229 HydrophobicContact CD2-CB 4.29Å; F224-Q229 HydrophobicContact CE1-CB 4.04Å; F224-Q229 HydrophobicContact CE2-CB 3.64Å; F224-Q229 HydrophobicContact CE2-CG 4.44Å; F224-Q229 HydrophobicContact CZ-CB 3.51Å; F224-F264 AromaticContact CD2-CZ 3.91Å; F224-F264 HydrophobicContact CD2-CZ 3.91Å; F224-F264 HydrophobicContact CE2-CE1 4.48Å; F224-F264 AromaticContact CE2-CZ 3.84Å; F224-F264 HydrophobicContact CE2-CZ 3.84Å; F224-K277 HydrophobicContact CE2-CB 4.17Å; F224-K277 HydrophobicContact CE2-CG 3.65Å; F224-K277 HydrophobicContact CZ-CG 4.21Å
225	N	92.9	Very high	84.8	Confident	49 Å²	49	52.5 Å²	52.5	26%	0.262	31%	0.307	S	S	.	.			trans	-119.3	96.9	-172	-174.1	-15.3	0	0	0	110.7	E145 S227 I228 Q229	E145-N225 HydrophobicContact CG-CB 4.35Å; E145-N225 VanDerWaalsContact OE1-CB 3.24Å; E145-N225 WeakPolarHBondContact OE1-CB 3.44Å; E145-N225 PolarHBondContact OE1-ND2 3.06Å; N225-S227 PolarHBondContact O-N 2.88Å; N225-S227 WeakPolarHBondContact OD1-CB 3.2Å; N225-S227 PolarHBondContact OD1-N 2.9Å; N225-S227 VanDerWaalsContact OD1-N 3.17Å; N225-S227 PolarHBondContact OD1-OG 2.95Å; N225-I228 HydrophobicContact CB-CD1 4.34Å; N225-I228 HydrophobicContact CB-CG1 3.88Å; N225-I228 PolarHBondContact O-N 2.98Å; N225-Q229 WeakPolarHBondContact O-CB 3.42Å; N225-Q229 PolarHBondContact O-N 2.89Å
226	H	92.7	Very high	83.3	Confident	45 Å²	45	52.2 Å²	52.2	21%	0.208	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.8	-178.2	-68.4	-73.9	0	0	0	114.2	E211 S215 F224 I228 Q229	E211-H226 HydrophobicContact CG-CB 4.02Å; E211-H226 PolarHBondContact O-CE1 3.15Å; S215-H226 PolarHBondContact OG-CE1 2.03Å; S215-H226 PolarHBondContact OG-NE2 2.83Å; F224-H226 AromaticContact CD1-CE1 3.67Å; F224-H226 AromaticContact CD1-ND1 3.86Å; F224-H226 AromaticContact CD1-NE2 3.89Å; F224-H226 AromaticContact CE1-CE1 3.62Å; F224-H226 AromaticContact CE1-ND1 3.54Å; H226-I228 VanDerWaalsContact C-N 3.28Å; H226-I228 PolarHBondContact O-N 3.18Å; H226-Q229 WeakPolarHBondContact CA-O 3.22Å
227	S	93.9	Very high	82.3	Confident	74 Å²	74	46.3 Å²	46.3	52%	0.517	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.5	175.6	73.2	0	0	0	0	113.6	N225 P283	N225-S227 PolarHBondContact O-N 2.88Å; N225-S227 WeakPolarHBondContact OD1-CB 3.2Å; N225-S227 PolarHBondContact OD1-N 2.9Å; N225-S227 VanDerWaalsContact OD1-N 3.17Å; N225-S227 PolarHBondContact OD1-OG 2.95Å; S227-P283 WeakPolarHBondContact O-CG 3.25Å
228	I	95.5	Very high	81.7	Confident	19 Å²	19	45.4 Å²	45.4	10%	0.097	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-1.9	-175.6	54.9	163.3	0	0	0	113.4	E145 N146 N225 H226 F280 P283 F284	E145-I228 HydrophobicContact CB-CD1 3.91Å; E145-I228 HydrophobicContact CG-CD1 4.02Å; N146-I228 WeakPolarHBondContact OD1-CD1 3.06Å; N225-I228 HydrophobicContact CB-CD1 4.34Å; N225-I228 HydrophobicContact CB-CG1 3.88Å; N225-I228 PolarHBondContact O-N 2.98Å; H226-I228 VanDerWaalsContact C-N 3.28Å; H226-I228 PolarHBondContact O-N 3.18Å; I228-F280 PolarHBondContact O-N 2.88Å; I228-P283 HydrophobicContact CG2-CB 4.22Å; I228-P283 HydrophobicContact CG2-CG 4.4Å; I228-F284 HydrophobicContact CB-CE2 3.94Å; I228-F284 HydrophobicContact CB-CZ 4.01Å; I228-F284 HydrophobicContact CG2-CE2 3.96Å; I228-F284 HydrophobicContact CG2-CZ 3.9Å
229	Q	96	Very high	81.3	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149	179.8	-64.4	173.1	-41.1	0	0	110	G143 K144 F224 N225 H226 Y278	G143-Q229 PolarHBondContact O-NE2 2.75Å; K144-Q229 PolarHBondContact O-NE2 3.46Å; K144-Q229 VanDerWaalsContact O-NE2 3.15Å; F224-Q229 HydrophobicContact CD2-CB 4.29Å; F224-Q229 HydrophobicContact CE1-CB 4.04Å; F224-Q229 HydrophobicContact CE2-CB 3.64Å; F224-Q229 HydrophobicContact CE2-CG 4.44Å; F224-Q229 HydrophobicContact CZ-CB 3.51Å; N225-Q229 WeakPolarHBondContact O-CB 3.42Å; N225-Q229 PolarHBondContact O-N 2.89Å; H226-Q229 WeakPolarHBondContact CA-O 3.22Å; Q229-Y278 VanDerWaalsContact CA-O 3.26Å; Q229-Y278 WeakPolarHBondContact CA-O 3.36Å
230	F	95.8	Very high	81.1	Confident	5 Å²	5	45.4 Å²	45.4	2%	0.022	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	167.6	174.7	71.9	-81.2	0	0	0	111.9	L175 I208 A232 L248 K277 Y278 F280	L175-F230 HydrophobicContact CD1-CB 3.59Å; L175-F230 HydrophobicContact CD1-CD1 4.12Å; L175-F230 HydrophobicContact CD1-CD2 3.59Å; L175-F230 HydrophobicContact CD1-CE2 4.25Å; L175-F230 HydrophobicContact CD1-CG 3.49Å; L175-F230 VanDerWaalsContact CD1-CG 3.49Å; L175-F230 HydrophobicContact CD2-CB 4.33Å; I208-F230 HydrophobicContact CD1-CD2 4.38Å; I208-F230 HydrophobicContact CD1-CE2 3.67Å; I208-F230 HydrophobicContact CG2-CD2 4.02Å; I208-F230 HydrophobicContact CG2-CE2 4.28Å; F230-A232 HydrophobicContact CE2-CB 4.15Å; F230-L248 HydrophobicContact CE2-CD1 3.83Å; F230-L248 HydrophobicContact CE2-CD2 4.49Å; F230-L248 HydrophobicContact CZ-CD1 3.9Å; F230-L248 HydrophobicContact CZ-CD2 4.2Å; F230-K277 WeakPolarHBondContact O-CA 3.04Å; F230-Y278 HydrophobicContact CD2-CD2 4.45Å; F230-Y278 VanDerWaalsContact CE1-CB 3.46Å; F230-Y278 HydrophobicContact CE1-CG 4.36Å; F230-Y278 HydrophobicContact CE2-CD2 4.08Å; F230-Y278 HydrophobicContact CE2-CG 4.22Å; F230-Y278 HydrophobicContact CZ-CD2 4.31Å; F230-Y278 AromaticContact CZ-CG 3.98Å; F230-Y278 HydrophobicContact CZ-CG 3.98Å; F230-Y278 PolarHBondContact N-O 2.82Å; F230-Y278 PolarHBondContact O-N 3.44Å; F230-F280 HydrophobicContact CD1-CB 3.8Å; F230-F280 AromaticContact CD1-CD2 3.88Å; F230-F280 HydrophobicContact CD1-CD2 3.88Å; F230-F280 HydrophobicContact CD1-CG 4.22Å; F230-F280 HydrophobicContact CE1-CB 4.31Å; F230-F280 HydrophobicContact CE1-CD2 4.05Å
231	C	93.4	Very high	80.8	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.3	178.6	-64.5	0	0	0	0	111.8	L209 C214 S275 G276	L209-C231 HydrophobicContact CB-CB 3.96Å; L209-C231 HydrophobicContact CD2-CB 3.93Å; L209-C231 HydrophobicContact CG-CB 4.44Å; L209-C231 PolarHBondContact N-O 3.03Å; C214-C231 WeakPolarHBondContact CA-SG 3.43Å; C214-C231 HydrophobicContact CB-CB 3.47Å; C214-C231 VanDerWaalsContact CB-CB 3.47Å; C214-C231 WeakPolarHBondContact CB-SG 3.46Å; C214-C231 WeakPolarHBondContact SG-CB 3.21Å; C214-C231 PolarHBondContact SG-N 2.85Å; C214-C231 VanDerWaalsContact SG-N 3.44Å; C214-C231 CovalentContact SG-SG 2.03Å; C214-C231 PolarHBondContact SG-SG 2.63Å; C231-S275 VanDerWaalsContact CB-OG 3.25Å; C231-S275 WeakPolarHBondContact CB-OG 3.41Å; C231-S275 PolarHBondContact SG-OG 2.99Å; C231-G276 WeakPolarHBondContact CA-O 3.3Å
232	A	91.2	Very high	80.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	144.5	170.2	0	0	0	0	0	112.1	V206 N207 I208 F230 L248 G276 Y278	V206-A232 HydrophobicContact CB-CB 4.17Å; V206-A232 HydrophobicContact CG2-CB 3.93Å; N207-A232 CarbonylContact O-C 3.55Å; N207-A232 VanDerWaalsContact O-CA 3.23Å; N207-A232 WeakPolarHBondContact O-CA 3.43Å; I208-A232 HydrophobicContact CD1-CB 3.76Å; F230-A232 HydrophobicContact CE2-CB 4.15Å; A232-L248 HydrophobicContact CB-CD1 3.65Å; A232-G276 PolarHBondContact N-O 3.12Å; A232-G276 PolarHBondContact O-N 2.65Å; A232-Y278 HydrophobicContact CB-CD2 3.97Å; A232-Y278 HydrophobicContact CB-CE2 3.45Å; A232-Y278 VanDerWaalsContact CB-CE2 3.45Å
233	G	78.3	Confident	81	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.01	20%	0.196	C	C	.	.			trans	95.5	158.8	-179.9	0	0	0	0	0	114	N207 R237 S275	N207-G233 PolarHBondContact O-N 3.42Å; G233-R237 CarbonylContact C-O 3.53Å; G233-R237 WeakPolarHBondContact CA-O 3.22Å; G233-S275 VanDerWaalsContact O-CA 3.27Å; G233-S275 WeakPolarHBondContact O-CA 3.46Å; G233-S275 WeakPolarHBondContact O-CB 3.04Å
234	S	68.4	Low	81.5	Confident	38 Å²	38	31.7 Å²	31.7	27%	0.266	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-168.3	172.8	171.7	61.9	0	0	0	0	108.9	D236 R237	S234-D236 VanDerWaalsContact C-N 3.34Å; S234-D236 PolarHBondContact O-N 3.45Å; S234-R237 PolarHBondContact N-O 3.17Å; S234-R237 WeakPolarHBondContact O-CB 3.29Å; S234-R237 PolarHBondContact O-N 2.93Å
235	N	60.9	Low	81.9	Confident	81 Å²	81	29.9 Å²	29.9	43%	0.433	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	50.7	175.7	-62	-88.3	0	0	0	112.5	N44 R237 D273	N44-N235 PolarHBondContact ND2-O 3.42Å; N44-N235 VanDerWaalsContact ND2-O 3.13Å; N235-R237 PolarHBondContact O-N 3.36Å; N235-R237 VanDerWaalsContact O-N 3.1Å; N235-D273 WeakPolarHBondContact CA-OD1 3.41Å; N235-D273 PolarHBondContact N-OD1 3.1Å; N235-D273 PolarHBondContact OD1-OD1 3.34Å
236	D	60.6	Low	82	Confident	56 Å²	56	27.6 Å²	27.6	30%	0.299	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	3.3	-176.4	-80.1	-40.1	0	0	0	116.2	N44 S234 S238 R240 F272	N44-D236 VanDerWaalsContact CB-C 3.4Å; N44-D236 HydrophobicContact CB-CB 4.13Å; N44-D236 WeakPolarHBondContact CB-O 3.48Å; N44-D236 WeakPolarHBondContact ND2-CB 3.49Å; S234-D236 VanDerWaalsContact C-N 3.34Å; S234-D236 PolarHBondContact O-N 3.45Å; D236-S238 PolarHBondContact O-N 2.9Å; D236-R240 IonicContact OD1-NH2 4Å; D236-R240 PolarHBondContact OD1-NH2 2.73Å; D236-F272 PolarHBondContact N-O 2.88Å
237	R	64.2	Low	82.2	Confident	63 Å²	63	25.4 Å²	25.4	24%	0.238	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-93.7	85.6	173	-63.1	-177.7	177.8	-148.9	-5.7	111.4	N44 V204 D205 G233 S234 N235 R560	N44-R237 HydrophobicContact CB-CB 4.27Å; N44-R237 HydrophobicContact CB-CG 3.46Å; N44-R237 VanDerWaalsContact CB-CG 3.46Å; N44-R237 VanDerWaalsContact OD1-CG 3.23Å; N44-R237 WeakPolarHBondContact OD1-CG 3.17Å; N44-R237 PolarHBondContact OD1-NE 2.86Å; N44-R237 VanDerWaalsContact OD1-NE 3.13Å; V204-R237 HydrophobicContact CG2-CB 3.76Å; V204-R237 HydrophobicContact CG2-CG 4.23Å; D205-R237 IonicContact OD1-CZ 3.04Å; D205-R237 IonicContact OD1-NH1 3.98Å; D205-R237 PolarHBondContact OD1-NH1 3.02Å; D205-R237 IonicContact OD2-NH1 3.03Å; D205-R237 PolarHBondContact OD2-NH1 3.27Å; G233-R237 CarbonylContact C-O 3.53Å; G233-R237 WeakPolarHBondContact CA-O 3.22Å; S234-R237 PolarHBondContact N-O 3.17Å; S234-R237 WeakPolarHBondContact O-CB 3.29Å; S234-R237 PolarHBondContact O-N 2.93Å; N235-R237 PolarHBondContact O-N 3.36Å; N235-R237 VanDerWaalsContact O-N 3.1Å; R237-R560 VanDerWaalsContact CZ-NH1 3.35Å; R237-R560 VanDerWaalsContact NH2-NH1 3.15Å
238	S	71.1	Confident	82.3	Confident	9 Å²	9	21.9 Å²	21.9	6%	0.063	13%	0.127	C	C	.	.	S	Bend	trans	-156.1	161.7	178.6	175.4	0	0	0	0	110.7	D236 G276	D236-S238 PolarHBondContact O-N 2.9Å; S238-G276 WeakPolarHBondContact OG-CA 3.43Å; S238-G276 PolarHBondContact OG-N 2.83Å
239	A	75.4	Confident	82.3	Confident	10 Å²	10	21 Å²	21	8%	0.083	12%	0.123	C	C	.	.			trans	-52.7	143.3	160.1	0	0	0	0	0	111	V183 D243 V262 Y278	V183-A239 HydrophobicContact CG1-CB 4.01Å; A239-D243 HydrophobicContact CB-CB 4.13Å; A239-V262 HydrophobicContact CB-CB 4.36Å; A239-V262 HydrophobicContact CB-CG1 3.61Å; A239-V262 HydrophobicContact CB-CG2 3.74Å; A239-Y278 HydrophobicContact CB-CE1 4.36Å
240	R	71.5	Confident	82.2	Confident	56 Å²	56	21 Å²	21	21%	0.211	12%	0.123	C	C	.	.			trans	-128.6	-176.2	178.2	-63.4	-62.6	-167.9	-157.2	6.5	110.6	A188 D236 G242 D243 F272	A188-R240 WeakPolarHBondContact O-CB 3.47Å; D236-R240 IonicContact OD1-NH2 4Å; D236-R240 PolarHBondContact OD1-NH2 2.73Å; R240-G242 PolarHBondContact O-N 3.41Å; R240-D243 PolarHBondContact N-OD2 2.81Å; R240-D243 WeakPolarHBondContact O-CB 3.5Å; R240-D243 PolarHBondContact O-N 3.06Å; R240-D243 VanDerWaalsContact O-N 3.08Å; R240-F272 PolarHBondContact NH2-O 3.07Å
241	A	68.8	Low	81.9	Confident	58 Å²	58	25.2 Å²	25.2	48%	0.479	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	129	179.2	0	0	0	0	0	111.1	G187 A188	G187-A241 CarbonylContact C-O 3.49Å; G187-A241 WeakPolarHBondContact CA-O 3.5Å; A188-A241 PolarHBondContact N-O 3.31Å
242	G	74	Confident	81.6	Confident	17 Å²	17	29.3 Å²	29.3	18%	0.175	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	-7.6	-175.9	0	0	0	0	0	115	R240	R240-G242 PolarHBondContact O-N 3.41Å
243	D	86	Confident	81.3	Confident	19 Å²	19	37.5 Å²	37.5	10%	0.102	20%	0.197	C	C	.	.			trans	-88.9	-4.2	171.1	-61.3	-39.5	0	0	0	113	G185 H186 G187 A239 R240 G245 G246 V262	G185-D243 VanDerWaalsContact CA-OD1 3.25Å; G185-D243 WeakPolarHBondContact CA-OD1 3.33Å; H186-D243 PolarHBondContact N-OD1 3.27Å; G187-D243 WeakPolarHBondContact CA-OD1 3.21Å; G187-D243 PolarHBondContact N-OD1 3.16Å; A239-D243 HydrophobicContact CB-CB 4.13Å; R240-D243 PolarHBondContact N-OD2 2.81Å; R240-D243 WeakPolarHBondContact O-CB 3.5Å; R240-D243 PolarHBondContact O-N 3.06Å; R240-D243 VanDerWaalsContact O-N 3.08Å; D243-G245 PolarHBondContact O-N 3.39Å; D243-G246 WeakPolarHBondContact O-CA 3.47Å; D243-G246 PolarHBondContact O-N 3.3Å; D243-V262 HydrophobicContact CB-CG1 4.18Å; D243-V262 HydrophobicContact CB-CG2 4.4Å; D243-V262 VanDerWaalsContact O-CB 3.27Å; D243-V262 WeakPolarHBondContact O-CB 3.27Å
244	S	92.7	Very high	81.4	Confident	26 Å²	26	44.6 Å²	44.6	18%	0.182	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.6	130.9	178.9	-74.7	0	0	0	0	112.8	C73 G74 H94 G246	C73-S244 CarbonylContact C-O 3.5Å; C73-S244 VanDerWaalsContact CA-O 3.3Å; C73-S244 WeakPolarHBondContact CA-O 3.07Å; C73-S244 WeakPolarHBondContact CB-O 3.43Å; G74-S244 PolarHBondContact N-O 3.17Å; H94-S244 VanDerWaalsContact CE1-CB 3.5Å; H94-S244 WeakPolarHBondContact CE1-CB 3.15Å; H94-S244 PolarHBondContact CE1-OG 2.84Å; H94-S244 VanDerWaalsContact CE1-OG 3.31Å; H94-S244 WeakPolarHBondContact NE2-CB 3.31Å; H94-S244 PolarHBondContact NE2-OG 2.95Å; S244-G246 PolarHBondContact O-N 3.24Å
245	G	96.1	Very high	82.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-11.2	-177.5	0	0	0	0	0	115.2	G74 G75 T91 D243 V262	G74-G245 CarbonylContact C-O 3.36Å; G74-G245 CarbonylContact O-C 3.48Å; G75-G245 WeakPolarHBondContact CA-O 3.45Å; T91-G245 WeakPolarHBondContact OG1-CA 3.29Å; D243-G245 PolarHBondContact O-N 3.39Å; G245-V262 PolarHBondContact N-O 3.34Å
246	G	95.2	Very high	83.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.			trans	-63.7	155.8	174.8	0	0	0	0	0	112.9	D243 S244 V262	D243-G246 WeakPolarHBondContact O-CA 3.47Å; D243-G246 PolarHBondContact O-N 3.3Å; S244-G246 PolarHBondContact O-N 3.24Å; G246-V262 WeakPolarHBondContact O-CG2 3.31Å; G246-V262 PolarHBondContact O-N 2.84Å
247	P	96.7	Very high	85.6	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	139.1	-178.5	24.8	-27.4	0	0	0	113.1	H56 S76 V183 S184 V249 L258	H56-P247 WeakPolarHBondContact ND1-CD 3.35Å; S76-P247 VanDerWaalsContact OG-CB 3.29Å; S76-P247 WeakPolarHBondContact OG-CB 3.49Å; V183-P247 WeakPolarHBondContact CA-O 3.35Å; S184-P247 PolarHBondContact N-O 2.73Å; S184-P247 WeakPolarHBondContact OG-CG 3.47Å; P247-V249 HydrophobicContact CB-CG1 3.97Å; P247-L258 HydrophobicContact CB-CD1 3.48Å; P247-L258 VanDerWaalsContact CB-CD1 3.48Å
248	L	96	Very high	87.2	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	109.2	151.4	-173.5	159.9	0	0	0	108.3	C181 Y182 V183 V206 I208 F230 A232 Y259 G260 Y278	C181-L248 HydrophobicContact CB-CD2 4.04Å; Y182-L248 CarbonylContact O-C 3.48Å; Y182-L248 WeakPolarHBondContact O-CA 3.41Å; V183-L248 HydrophobicContact CG2-CB 3.97Å; V183-L248 HydrophobicContact CG2-CD1 3.82Å; V183-L248 HydrophobicContact CG2-CG 3.81Å; V206-L248 HydrophobicContact CG2-CD1 3.84Å; V206-L248 HydrophobicContact CG2-CG 4.25Å; I208-L248 HydrophobicContact CD1-CD1 3.97Å; I208-L248 HydrophobicContact CD1-CD2 3.9Å; F230-L248 HydrophobicContact CE2-CD1 3.83Å; F230-L248 HydrophobicContact CE2-CD2 4.49Å; F230-L248 HydrophobicContact CZ-CD1 3.9Å; F230-L248 HydrophobicContact CZ-CD2 4.2Å; A232-L248 HydrophobicContact CB-CD1 3.65Å; L248-Y259 PolarHBondContact O-N 2.97Å; L248-G260 PolarHBondContact N-O 3.47Å; L248-G260 PolarHBondContact O-N 3.43Å; L248-G260 VanDerWaalsContact O-N 3.1Å; L248-Y278 HydrophobicContact CB-CD1 3.84Å; L248-Y278 HydrophobicContact CB-CE1 3.93Å; L248-Y278 HydrophobicContact CD1-CD1 3.7Å; L248-Y278 HydrophobicContact CD1-CD2 4.06Å; L248-Y278 HydrophobicContact CD1-CE1 3.54Å; L248-Y278 HydrophobicContact CD1-CE2 3.95Å; L248-Y278 HydrophobicContact CD1-CG 3.97Å; L248-Y278 HydrophobicContact CG-CD1 4.44Å; L248-Y278 HydrophobicContact CG-CE1 4.33Å
249	V	95.6	Very high	88.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.9	178.3	-60.1	0	0	0	0	110.9	V166 C181 Y182 M203 P247 F256 V257 L258	V166-V249 HydrophobicContact CG2-CG1 3.66Å; C181-V249 CarbonylContact C-O 3.5Å; C181-V249 VanDerWaalsContact CA-O 3.22Å; C181-V249 WeakPolarHBondContact CA-O 3.48Å; Y182-V249 PolarHBondContact N-O 3.39Å; Y182-V249 PolarHBondContact O-N 3.12Å; M203-V249 HydrophobicContact CE-CG2 4.39Å; P247-V249 HydrophobicContact CB-CG1 3.97Å; V249-F256 HydrophobicContact CB-CB 4.09Å; V249-F256 HydrophobicContact CB-CD1 4.08Å; V249-F256 HydrophobicContact CG2-CB 4.27Å; V249-F256 HydrophobicContact CG2-CD1 3.63Å; V249-F256 HydrophobicContact CG2-CE1 4.41Å; V249-F256 HydrophobicContact CG2-CG 4.22Å; V249-V257 CarbonylContact C-O 3.52Å; V249-V257 VanDerWaalsContact CA-O 3.27Å; V249-V257 WeakPolarHBondContact CA-O 3.21Å; V249-L258 HydrophobicContact CG1-CD1 4.34Å
250	C	94	Very high	89.5	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.6	172.7	-58.6	0	0	0	0	110.3	P176 E180 C181 K252 V257 Y259	P176-C250 HydrophobicContact CG-CB 4.25Å; P176-C250 VanDerWaalsContact CG-SG 3.5Å; E180-C250 CarbonylContact O-C 3.6Å; E180-C250 WeakPolarHBondContact O-CA 3.21Å; C181-C250 HydrophobicContact CB-CB 4.09Å; C181-C250 WeakPolarHBondContact CB-SG 3.06Å; C181-C250 WeakPolarHBondContact SG-CB 3.29Å; C181-C250 CovalentContact SG-SG 2.04Å; C181-C250 PolarHBondContact SG-SG 2.85Å; C250-K252 PolarHBondContact O-N 3.02Å; C250-V257 PolarHBondContact N-O 3.3Å; C250-V257 PolarHBondContact O-N 2.69Å; C250-Y259 HydrophobicContact CB-CD2 3.63Å; C250-Y259 HydrophobicContact CB-CE2 4.03Å; C250-Y259 HydrophobicContact CB-CG 4.48Å
251	K	89.4	Confident	90.8	Very high	93 Å²	93	33.3 Å²	33.3	40%	0.404	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	123.9	177.9	-167.4	179.1	-177.9	179.3	0	109.9	E180 E253 F256	E180-K251 HydrophobicContact CB-CB 4.29Å; E180-K251 PolarHBondContact O-N 3.02Å; E180-K251 WeakPolarHBondContact OE2-CD 3.1Å; E180-K251 IonicContact OE2-NZ 3.8Å; E180-K251 PolarHBondContact OE2-NZ 3.22Å; K251-E253 WeakPolarHBondContact CE-O 3.25Å; K251-F256 HydrophobicContact CB-CD1 4.35Å; K251-F256 HydrophobicContact CB-CE1 3.83Å; K251-F256 HydrophobicContact CB-CZ 4.23Å; K251-F256 HydrophobicContact CD-CZ 4.4Å; K251-F256 HydrophobicContact CG-CE1 4.29Å; K251-F256 HydrophobicContact CG-CZ 4.21Å
252	K	88.6	Confident	92.1	Very high	87 Å²	87	30.9 Å²	30.9	38%	0.378	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	104.9	171.9	-162.9	174.4	-171.1	173.6	0	106.6	D173 C250 N254 S255 V257	D173-K252 IonicContact OD1-NZ 3.19Å; D173-K252 PolarHBondContact OD1-NZ 3.19Å; D173-K252 IonicContact OD2-NZ 3.81Å; D173-K252 PolarHBondContact OD2-NZ 2.79Å; C250-K252 PolarHBondContact O-N 3.02Å; K252-N254 PolarHBondContact O-N 2.5Å; K252-N254 VanDerWaalsContact O-N 3.16Å; K252-S255 PolarHBondContact N-O 3.16Å; K252-S255 PolarHBondContact O-N 3.16Å; K252-S255 VanDerWaalsContact O-O 3.12Å; K252-S255 PolarHBondContact O-OG 3.47Å; K252-S255 VanDerWaalsContact O-OG 3.09Å; K252-V257 HydrophobicContact CB-CG2 3.77Å; K252-V257 HydrophobicContact CD-CG2 4.02Å
253	E	83.6	Confident	93	Very high	172 Å²	172	30.2 Å²	30.2	80%	0.804	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	-112.7	-172.3	-56.4	172.4	177	0	0	111.4	K251	K251-E253 WeakPolarHBondContact CE-O 3.25Å
254	N	81.1	Confident	93.1	Very high	149 Å²	149	31.6 Å²	31.6	80%	0.797	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	11.8	-178.8	-67.4	-27.7	0	0	0	113.3	K252	K252-N254 PolarHBondContact O-N 2.5Å; K252-N254 VanDerWaalsContact O-N 3.16Å
255	S	89.4	Confident	92.4	Very high	29 Å²	29	32.1 Å²	32.1	20%	0.203	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158.6	-177	68.6	0	0	0	0	112.4	G29 K252	G29-S255 CarbonylContact O-C 3.19Å; G29-S255 WeakPolarHBondContact O-CA 3.15Å; K252-S255 PolarHBondContact N-O 3.16Å; K252-S255 PolarHBondContact O-N 3.16Å; K252-S255 VanDerWaalsContact O-O 3.12Å; K252-S255 PolarHBondContact O-OG 3.47Å; K252-S255 VanDerWaalsContact O-OG 3.09Å
256	F	93.1	Very high	90.9	Very high	24 Å²	24	33.5 Å²	33.5	11%	0.105	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.5	174.1	-74.8	-81.8	0	0	0	111.1	G29 I35 W55 V166 C167 Y182 V249 K251	G29-F256 VanDerWaalsContact CA-O 3.28Å; G29-F256 WeakPolarHBondContact CA-O 3.25Å; G29-F256 WeakPolarHBondContact O-CD2 3.26Å; G29-F256 PolarHBondContact O-N 3.44Å; I35-F256 HydrophobicContact CD1-CD1 4.29Å; I35-F256 HydrophobicContact CD1-CD2 3.43Å; I35-F256 VanDerWaalsContact CD1-CD2 3.43Å; I35-F256 HydrophobicContact CD1-CE1 4.03Å; I35-F256 HydrophobicContact CD1-CE2 3.13Å; I35-F256 HydrophobicContact CD1-CG 4.01Å; I35-F256 HydrophobicContact CD1-CZ 3.46Å; I35-F256 VanDerWaalsContact CD1-CZ 3.46Å; I35-F256 HydrophobicContact CG1-CE2 4.07Å; I35-F256 HydrophobicContact CG1-CZ 4.41Å; W55-F256 HydrophobicContact CH2-CB 3.95Å; W55-F256 AromaticContact CH2-CD2 3.85Å; W55-F256 HydrophobicContact CH2-CD2 3.85Å; W55-F256 HydrophobicContact CH2-CG 4.11Å; W55-F256 HydrophobicContact CZ2-CB 3.96Å; W55-F256 HydrophobicContact CZ2-CD2 4.25Å; W55-F256 HydrophobicContact CZ2-CG 4.13Å; V166-F256 VanDerWaalsContact CG2-O 3.31Å; V166-F256 WeakPolarHBondContact CG2-O 3.29Å; C167-F256 WeakPolarHBondContact CB-O 3.39Å; C167-F256 PolarHBondContact N-O 3.03Å; Y182-F256 AromaticContact CD2-CE1 3.72Å; Y182-F256 HydrophobicContact CD2-CE1 3.72Å; Y182-F256 HydrophobicContact CD2-CZ 4.44Å; Y182-F256 AromaticContact CE2-CE1 3.67Å; Y182-F256 HydrophobicContact CE2-CE1 3.67Å; Y182-F256 HydrophobicContact CE2-CZ 4.05Å; V249-F256 HydrophobicContact CB-CB 4.09Å; V249-F256 HydrophobicContact CB-CD1 4.08Å; V249-F256 HydrophobicContact CG2-CB 4.27Å; V249-F256 HydrophobicContact CG2-CD1 3.63Å; V249-F256 HydrophobicContact CG2-CE1 4.41Å; V249-F256 HydrophobicContact CG2-CG 4.22Å; K251-F256 HydrophobicContact CB-CD1 4.35Å; K251-F256 HydrophobicContact CB-CE1 3.83Å; K251-F256 HydrophobicContact CB-CZ 4.23Å; K251-F256 HydrophobicContact CD-CZ 4.4Å; K251-F256 HydrophobicContact CG-CE1 4.29Å; K251-F256 HydrophobicContact CG-CZ 4.21Å
257	V	96.3	Very high	88.8	Confident	6 Å²	6	41.1 Å²	41.1	4%	0.036	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.7	-178.7	-178.6	0	0	0	0	109.3	C167 P169 V249 C250 K252 Y259	C167-V257 HydrophobicContact CB-CG2 4.18Å; C167-V257 WeakPolarHBondContact O-CA 3.35Å; P169-V257 VanDerWaalsContact CA-CG1 3.46Å; P169-V257 HydrophobicContact CB-CG1 3.66Å; V249-V257 CarbonylContact C-O 3.52Å; V249-V257 VanDerWaalsContact CA-O 3.27Å; V249-V257 WeakPolarHBondContact CA-O 3.21Å; C250-V257 PolarHBondContact N-O 3.3Å; C250-V257 PolarHBondContact O-N 2.69Å; K252-V257 HydrophobicContact CB-CG2 3.77Å; K252-V257 HydrophobicContact CD-CG2 4.02Å; V257-Y259 HydrophobicContact CB-CD2 4.05Å; V257-Y259 HydrophobicContact CB-CE2 3.84Å; V257-Y259 HydrophobicContact CG1-CD2 3.94Å; V257-Y259 HydrophobicContact CG1-CE2 3.73Å; V257-Y259 PolarHBondContact O-N 2.91Å
258	L	97.6	Very high	86.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	95.8	-179.5	-176.1	63.9	0	0	0	111	I78 L90 V166 C167 P169 P247 V249 G260 V281	I78-L258 HydrophobicContact CG2-CD2 4.1Å; L90-L258 HydrophobicContact CB-CD2 4.5Å; L90-L258 HydrophobicContact CD2-CD2 3.69Å; V166-L258 HydrophobicContact CG1-CB 3.79Å; V166-L258 HydrophobicContact CG1-CD2 3.99Å; V166-L258 HydrophobicContact CG1-CG 4.33Å; V166-L258 HydrophobicContact CG2-CB 3.99Å; C167-L258 PolarHBondContact O-N 3Å; P169-L258 VanDerWaalsContact CD-O 3.26Å; P169-L258 WeakPolarHBondContact CD-O 3.37Å; P169-L258 WeakPolarHBondContact CG-O 3.46Å; P247-L258 HydrophobicContact CB-CD1 3.48Å; P247-L258 VanDerWaalsContact CB-CD1 3.48Å; V249-L258 HydrophobicContact CG1-CD1 4.34Å; L258-G260 WeakPolarHBondContact CD1-O 3.46Å; L258-V281 HydrophobicContact CG-CG2 4.31Å; L258-V281 WeakPolarHBondContact O-CB 3.39Å
259	Y	97.7	Very high	84.3	Confident	16 Å²	16	45.9 Å²	45.9	6%	0.063	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-30.3	179.5	-88.4	-88.6	0	0	0	113.2	D173 K174 P176 L248 C250 V257 F280 V281 P282	D173-Y259 HydrophobicContact CB-CE1 3.89Å; D173-Y259 PolarHBondContact OD2-OH 3.11Å; K174-Y259 WeakPolarHBondContact O-CE1 3.45Å; P176-Y259 HydrophobicContact CB-CD1 4.46Å; P176-Y259 HydrophobicContact CB-CE1 4.16Å; P176-Y259 HydrophobicContact CB-CE2 4.37Å; P176-Y259 HydrophobicContact CG-CD1 3.64Å; P176-Y259 HydrophobicContact CG-CD2 4.04Å; P176-Y259 HydrophobicContact CG-CE1 3.83Å; P176-Y259 HydrophobicContact CG-CE2 4.21Å; P176-Y259 HydrophobicContact CG-CG 3.72Å; L248-Y259 PolarHBondContact O-N 2.97Å; C250-Y259 HydrophobicContact CB-CD2 3.63Å; C250-Y259 HydrophobicContact CB-CE2 4.03Å; C250-Y259 HydrophobicContact CB-CG 4.48Å; V257-Y259 HydrophobicContact CB-CD2 4.05Å; V257-Y259 HydrophobicContact CB-CE2 3.84Å; V257-Y259 HydrophobicContact CG1-CD2 3.94Å; V257-Y259 HydrophobicContact CG1-CE2 3.73Å; V257-Y259 PolarHBondContact O-N 2.91Å; Y259-F280 HydrophobicContact CD1-CE2 4.05Å; Y259-V281 PolarHBondContact O-N 2.76Å; Y259-P282 HydrophobicContact CD1-CG 4.21Å; Y259-P282 HydrophobicContact CE1-CG 4.39Å
260	G	97.4	Very high	81.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.2	-176.2	0	0	0	0	0	114.3	L248 L258 T279	L248-G260 PolarHBondContact N-O 3.47Å; L248-G260 PolarHBondContact O-N 3.43Å; L248-G260 VanDerWaalsContact O-N 3.1Å; L258-G260 WeakPolarHBondContact CD1-O 3.46Å; G260-T279 VanDerWaalsContact CA-O 3.28Å; G260-T279 WeakPolarHBondContact CA-O 3.09Å
261	I	97.8	Very high	79.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.5	167.6	-58.7	168.2	0	0	0	106.8	L90 A92 I148 S263 Y278 T279 V281	L90-I261 HydrophobicContact CD2-CD1 3.72Å; L90-I261 HydrophobicContact CD2-CG1 4.43Å; L90-I261 HydrophobicContact CG-CD1 3.79Å; A92-I261 HydrophobicContact CB-CG2 4.06Å; I148-I261 HydrophobicContact CB-CD1 4.24Å; I148-I261 HydrophobicContact CD1-CD1 3.75Å; I148-I261 HydrophobicContact CG1-CD1 3.61Å; I261-S263 PolarHBondContact O-N 2.72Å; I261-S263 VanDerWaalsContact O-N 3.15Å; I261-Y278 CarbonylContact O-C 3.59Å; I261-Y278 WeakPolarHBondContact O-CA 3.36Å; I261-Y278 WeakPolarHBondContact O-CB 3.49Å; I261-T279 PolarHBondContact N-O 3.39Å; I261-T279 VanDerWaalsContact N-O 3.16Å; I261-T279 PolarHBondContact O-N 2.69Å; I261-V281 HydrophobicContact CD1-CG2 4.03Å; I261-V281 HydrophobicContact CG1-CG2 3.81Å
262	V	95.4	Very high	77.8	Confident	7 Å²	7	60.1 Å²	60.1	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	119.2	178	177.7	0	0	0	0	109.4	V183 A239 D243 G245 G246 Y278	V183-V262 HydrophobicContact CG1-CG2 3.7Å; A239-V262 HydrophobicContact CB-CB 4.36Å; A239-V262 HydrophobicContact CB-CG1 3.61Å; A239-V262 HydrophobicContact CB-CG2 3.74Å; D243-V262 HydrophobicContact CB-CG1 4.18Å; D243-V262 HydrophobicContact CB-CG2 4.4Å; D243-V262 VanDerWaalsContact O-CB 3.27Å; D243-V262 WeakPolarHBondContact O-CB 3.27Å; G245-V262 PolarHBondContact N-O 3.34Å; G246-V262 WeakPolarHBondContact O-CG2 3.31Å; G246-V262 PolarHBondContact O-N 2.84Å; V262-Y278 HydrophobicContact CB-CD1 4.47Å; V262-Y278 HydrophobicContact CB-CE1 4.39Å; V262-Y278 HydrophobicContact CG2-CD1 4.08Å; V262-Y278 HydrophobicContact CG2-CE1 3.66Å
263	S	93.9	Very high	76.3	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-61.1	-173.4	-179.7	0	0	0	0	112.2	H94 D147 I261 K277	H94-S263 PolarHBondContact CE1-O 3.41Å; H94-S263 PolarHBondContact ND1-O 3.06Å; D147-S263 WeakPolarHBondContact CB-OG 3.45Å; D147-S263 WeakPolarHBondContact OD2-CA 3.5Å; D147-S263 WeakPolarHBondContact OD2-CB 3.05Å; D147-S263 PolarHBondContact OD2-OG 3.2Å; I261-S263 PolarHBondContact O-N 2.72Å; I261-S263 VanDerWaalsContact O-N 3.15Å; S263-K277 WeakPolarHBondContact CB-O 3.47Å; S263-K277 PolarHBondContact N-O 3.15Å
264	F	87.8	Confident	75.7	Confident	49 Å²	49	53.7 Å²	53.7	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	170.2	179.1	63.4	-85.9	0	0	0	112.6	K144 M218 F224 K277	K144-F264 HydrophobicContact CB-CD1 4.09Å; K144-F264 HydrophobicContact CB-CE1 4.3Å; K144-F264 HydrophobicContact CD-CB 3.78Å; K144-F264 HydrophobicContact CD-CD1 3.74Å; K144-F264 HydrophobicContact CD-CG 4Å; K144-F264 HydrophobicContact CG-CD1 4.46Å; M218-F264 HydrophobicContact CE-CE2 4.37Å; F224-F264 AromaticContact CD2-CZ 3.91Å; F224-F264 HydrophobicContact CD2-CZ 3.91Å; F224-F264 HydrophobicContact CE2-CE1 4.48Å; F224-F264 AromaticContact CE2-CZ 3.84Å; F224-F264 HydrophobicContact CE2-CZ 3.84Å; F264-K277 HydrophobicContact CD1-CB 3.94Å; F264-K277 HydrophobicContact CD2-CB 3.88Å; F264-K277 HydrophobicContact CD2-CD 4.23Å; F264-K277 HydrophobicContact CD2-CG 4.13Å; F264-K277 HydrophobicContact CE1-CB 3.7Å; F264-K277 HydrophobicContact CE1-CG 4.35Å; F264-K277 HydrophobicContact CE2-CB 3.64Å; F264-K277 HydrophobicContact CE2-CD 3.91Å; F264-K277 HydrophobicContact CE2-CG 3.55Å; F264-K277 HydrophobicContact CG-CB 4.03Å; F264-K277 HydrophobicContact CZ-CB 3.55Å; F264-K277 HydrophobicContact CZ-CG 3.68Å; F264-K277 PolarHBondContact N-O 3.38Å; F264-K277 WeakPolarHBondContact O-CA 3.36Å; F264-K277 WeakPolarHBondContact O-CB 3.39Å; F264-K277 PolarHBondContact O-N 3.43Å
265	G	77.8	Confident	75.8	Confident	36 Å²	36	46.7 Å²	46.7	37%	0.371	24%	0.238	S	C	.	.			trans	-149	179.7	177.1	0	0	0	0	0	111.4
266	S	65	Low	75.7	Confident	30 Å²	30	45.5 Å²	45.5	21%	0.21	23%	0.23	C	C	.	.			trans	-76.7	132.2	169.1	-174.8	0	0	0	0	109.5	D268	S266-D268 VanDerWaalsContact C-N 3.35Å; S266-D268 PolarHBondContact OG-N 3.02Å
267	N	51.2	Low	75.7	Confident	160 Å²	160	44.6 Å²	44.6	86%	0.856	23%	0.226	S	C	*	.			trans	-93.7	1.7	173.1	-62.4	-11.8	0	0	0	111.9
268	D	53.1	Low	75.6	Confident	47 Å²	47	44.4 Å²	44.4	25%	0.251	23%	0.225	S	C	.	.			trans	-92.6	115.1	-176.5	-177.8	-16.4	0	0	0	110.2	S266 R270 Y271	S266-D268 VanDerWaalsContact C-N 3.35Å; S266-D268 PolarHBondContact OG-N 3.02Å; D268-R270 PolarHBondContact O-N 3.41Å; D268-R270 WeakPolarHBondContact OD1-CB 3.38Å; D268-R270 WeakPolarHBondContact OD1-CG 3.12Å; D268-R270 IonicContact OD1-CZ 3.95Å; D268-R270 PolarHBondContact OD1-N 2.76Å; D268-R270 IonicContact OD1-NE 2.92Å; D268-R270 PolarHBondContact OD1-NE 2.77Å; D268-R270 IonicContact OD1-NH2 2.76Å; D268-R270 IonicContact OD2-CZ 2.82Å; D268-R270 IonicContact OD2-NE 3.6Å; D268-R270 PolarHBondContact OD2-NE 2.87Å; D268-R270 IonicContact OD2-NH2 3.39Å; D268-R270 PolarHBondContact OD2-NH2 3.16Å; D268-Y271 HydrophobicContact CB-CD2 3.75Å; D268-Y271 HydrophobicContact CB-CE2 4.07Å; D268-Y271 PolarHBondContact O-N 3.08Å; D268-Y271 VanDerWaalsContact O-N 3.12Å; D268-Y271 VanDerWaalsContact OD2-CE2 3.27Å; D268-Y271 WeakPolarHBondContact OD2-CE2 3.05Å
269	A	44.4	Very low	75.6	Confident	53 Å²	53	44.4 Å²	44.4	44%	0.438	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.7	-176.1	0	0	0	0	0	114.1	M191 Y271 F272	M191-A269 VanDerWaalsContact CE-CA 3.45Å; M191-A269 HydrophobicContact CE-CB 3.72Å; A269-Y271 PolarHBondContact O-N 2.92Å; A269-F272 VanDerWaalsContact O-CD2 3.29Å; A269-F272 WeakPolarHBondContact O-CD2 3.37Å; A269-F272 WeakPolarHBondContact O-CE2 3.39Å; A269-F272 WeakPolarHBondContact O-CZ 3.18Å
270	R	42.7	Very low	75.6	Confident	191 Å²	191	44.8 Å²	44.8	72%	0.721	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.1	177.4	-64.6	174.5	-69.5	-175.8	1.1	113.3	D268	D268-R270 PolarHBondContact O-N 3.41Å; D268-R270 WeakPolarHBondContact OD1-CB 3.38Å; D268-R270 WeakPolarHBondContact OD1-CG 3.12Å; D268-R270 IonicContact OD1-CZ 3.95Å; D268-R270 PolarHBondContact OD1-N 2.76Å; D268-R270 IonicContact OD1-NE 2.92Å; D268-R270 PolarHBondContact OD1-NE 2.77Å; D268-R270 IonicContact OD1-NH2 2.76Å; D268-R270 IonicContact OD2-CZ 2.82Å; D268-R270 IonicContact OD2-NE 3.6Å; D268-R270 PolarHBondContact OD2-NE 2.87Å; D268-R270 IonicContact OD2-NH2 3.39Å; D268-R270 PolarHBondContact OD2-NH2 3.16Å
271	Y	51.7	Low	75.7	Confident	96 Å²	96	44.8 Å²	44.8	38%	0.376	23%	0.227	S	C	.	.			trans	-114.8	54.2	-174.5	-55.7	-73.4	0	0	0	112.1	D268 A269 D273 R274	D268-Y271 HydrophobicContact CB-CD2 3.75Å; D268-Y271 HydrophobicContact CB-CE2 4.07Å; D268-Y271 PolarHBondContact O-N 3.08Å; D268-Y271 VanDerWaalsContact O-N 3.12Å; D268-Y271 VanDerWaalsContact OD2-CE2 3.27Å; D268-Y271 WeakPolarHBondContact OD2-CE2 3.05Å; A269-Y271 PolarHBondContact O-N 2.92Å; Y271-D273 PolarHBondContact O-N 3.31Å; Y271-R274 PolarHBondContact O-N 3.4Å; Y271-R274 VanDerWaalsContact O-N 3.11Å
272	F	48.2	Very low	75.6	Confident	106 Å²	106	44.8 Å²	44.8	47%	0.465	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-30.3	175.2	-66.6	-78.9	0	0	0	113.5	M191 D236 R240 A269	M191-F272 HydrophobicContact CE-CD1 3.6Å; M191-F272 HydrophobicContact CE-CE1 3.32Å; M191-F272 HydrophobicContact CE-CZ 4.06Å; D236-F272 PolarHBondContact N-O 2.88Å; R240-F272 PolarHBondContact NH2-O 3.07Å; A269-F272 VanDerWaalsContact O-CD2 3.29Å; A269-F272 WeakPolarHBondContact O-CD2 3.37Å; A269-F272 WeakPolarHBondContact O-CE2 3.39Å; A269-F272 WeakPolarHBondContact O-CZ 3.18Å
273	D	56.9	Low	75.7	Confident	90 Å²	90	47.3 Å²	47.3	48%	0.481	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.2	-172.5	-134.9	-7.8	0	0	0	115.2	N235 Y271	N235-D273 WeakPolarHBondContact CA-OD1 3.41Å; N235-D273 PolarHBondContact N-OD1 3.1Å; N235-D273 PolarHBondContact OD1-OD1 3.34Å; Y271-D273 PolarHBondContact O-N 3.31Å
274	R	70.6	Confident	75.9	Confident	35 Å²	35	47.8 Å²	47.8	13%	0.132	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-77.2	143.4	-174	-77.7	-174	-171.8	-151.3	28.7	113.6	D217 D219 Y271	D217-R274 PolarHBondContact O-NH1 2.96Å; D217-R274 WeakPolarHBondContact OD1-CA 3.47Å; D217-R274 WeakPolarHBondContact OD1-CG 3.28Å; D219-R274 IonicContact OD1-CZ 3.47Å; D219-R274 IonicContact OD1-NH1 2.79Å; D219-R274 PolarHBondContact OD1-NH1 3.09Å; D219-R274 IonicContact OD1-NH2 3.78Å; D219-R274 PolarHBondContact OD1-NH2 2.94Å; Y271-R274 PolarHBondContact O-N 3.4Å; Y271-R274 VanDerWaalsContact O-N 3.11Å
275	S	84.4	Confident	76.4	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.014	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-69.5	155.1	177.8	72	0	0	0	0	113	D217 C231 G233 K277	D217-S275 PolarHBondContact OD1-N 3.23Å; D217-S275 WeakPolarHBondContact OD2-CB 3.45Å; D217-S275 PolarHBondContact OD2-N 2.95Å; D217-S275 PolarHBondContact OD2-OG 2.73Å; C231-S275 VanDerWaalsContact CB-OG 3.25Å; C231-S275 WeakPolarHBondContact CB-OG 3.41Å; C231-S275 PolarHBondContact SG-OG 2.99Å; G233-S275 VanDerWaalsContact O-CA 3.27Å; G233-S275 WeakPolarHBondContact O-CA 3.46Å; G233-S275 WeakPolarHBondContact O-CB 3.04Å; S275-K277 PolarHBondContact O-NZ 3.39Å; S275-K277 PolarHBondContact OG-NZ 2.7Å
276	G	86.9	Confident	77.3	Confident	3 Å²	3	48.4 Å²	48.4	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	154.5	166.1	0	0	0	0	0	110.7	C231 A232 S238 Y278	C231-G276 WeakPolarHBondContact CA-O 3.3Å; A232-G276 PolarHBondContact N-O 3.12Å; A232-G276 PolarHBondContact O-N 2.65Å; S238-G276 WeakPolarHBondContact OG-CA 3.43Å; S238-G276 PolarHBondContact OG-N 2.83Å; G276-Y278 WeakPolarHBondContact O-CD2 3.14Å; G276-Y278 WeakPolarHBondContact O-CE2 3.3Å
277	K	92	Very high	78.8	Confident	6 Å²	6	49.1 Å²	49.1	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.1	178.8	-73.8	76.8	-171.7	163.3	0	109.2	D217 M218 F224 F230 S263 F264 S275	D217-K277 IonicContact OD2-NZ 3.02Å; D217-K277 PolarHBondContact OD2-NZ 3.38Å; M218-K277 HydrophobicContact SD-CD 4.22Å; M218-K277 WeakPolarHBondContact SD-CE 3.3Å; M218-K277 HydrophobicContact SD-CG 4.11Å; F224-K277 HydrophobicContact CE2-CB 4.17Å; F224-K277 HydrophobicContact CE2-CG 3.65Å; F224-K277 HydrophobicContact CZ-CG 4.21Å; F230-K277 WeakPolarHBondContact O-CA 3.04Å; S263-K277 WeakPolarHBondContact CB-O 3.47Å; S263-K277 PolarHBondContact N-O 3.15Å; F264-K277 HydrophobicContact CD1-CB 3.94Å; F264-K277 HydrophobicContact CD2-CB 3.88Å; F264-K277 HydrophobicContact CD2-CD 4.23Å; F264-K277 HydrophobicContact CD2-CG 4.13Å; F264-K277 HydrophobicContact CE1-CB 3.7Å; F264-K277 HydrophobicContact CE1-CG 4.35Å; F264-K277 HydrophobicContact CE2-CB 3.64Å; F264-K277 HydrophobicContact CE2-CD 3.91Å; F264-K277 HydrophobicContact CE2-CG 3.55Å; F264-K277 HydrophobicContact CG-CB 4.03Å; F264-K277 HydrophobicContact CZ-CB 3.55Å; F264-K277 HydrophobicContact CZ-CG 3.68Å; F264-K277 PolarHBondContact N-O 3.38Å; F264-K277 WeakPolarHBondContact O-CA 3.36Å; F264-K277 WeakPolarHBondContact O-CB 3.39Å; F264-K277 PolarHBondContact O-N 3.43Å; S275-K277 PolarHBondContact O-NZ 3.39Å; S275-K277 PolarHBondContact OG-NZ 2.7Å
278	Y	95.8	Very high	81	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.2	-170.2	-56.6	-99	0	0	0	109.9	V183 Q229 F230 A232 A239 L248 I261 V262 G276 F280	V183-Y278 HydrophobicContact CG1-CE1 4.4Å; V183-Y278 HydrophobicContact CG2-CE1 3.77Å; V183-Y278 WeakPolarHBondContact CG2-OH 3.19Å; Q229-Y278 VanDerWaalsContact CA-O 3.26Å; Q229-Y278 WeakPolarHBondContact CA-O 3.36Å; F230-Y278 HydrophobicContact CD2-CD2 4.45Å; F230-Y278 VanDerWaalsContact CE1-CB 3.46Å; F230-Y278 HydrophobicContact CE1-CG 4.36Å; F230-Y278 HydrophobicContact CE2-CD2 4.08Å; F230-Y278 HydrophobicContact CE2-CG 4.22Å; F230-Y278 HydrophobicContact CZ-CD2 4.31Å; F230-Y278 AromaticContact CZ-CG 3.98Å; F230-Y278 HydrophobicContact CZ-CG 3.98Å; F230-Y278 PolarHBondContact N-O 2.82Å; F230-Y278 PolarHBondContact O-N 3.44Å; A232-Y278 HydrophobicContact CB-CD2 3.97Å; A232-Y278 HydrophobicContact CB-CE2 3.45Å; A232-Y278 VanDerWaalsContact CB-CE2 3.45Å; A239-Y278 HydrophobicContact CB-CE1 4.36Å; L248-Y278 HydrophobicContact CB-CD1 3.84Å; L248-Y278 HydrophobicContact CB-CE1 3.93Å; L248-Y278 HydrophobicContact CD1-CD1 3.7Å; L248-Y278 HydrophobicContact CD1-CD2 4.06Å; L248-Y278 HydrophobicContact CD1-CE1 3.54Å; L248-Y278 HydrophobicContact CD1-CE2 3.95Å; L248-Y278 HydrophobicContact CD1-CG 3.97Å; L248-Y278 HydrophobicContact CG-CD1 4.44Å; L248-Y278 HydrophobicContact CG-CE1 4.33Å; I261-Y278 CarbonylContact O-C 3.59Å; I261-Y278 WeakPolarHBondContact O-CA 3.36Å; I261-Y278 WeakPolarHBondContact O-CB 3.49Å; V262-Y278 HydrophobicContact CB-CD1 4.47Å; V262-Y278 HydrophobicContact CB-CE1 4.39Å; V262-Y278 HydrophobicContact CG2-CD1 4.08Å; V262-Y278 HydrophobicContact CG2-CE1 3.66Å; G276-Y278 WeakPolarHBondContact O-CD2 3.14Å; G276-Y278 WeakPolarHBondContact O-CE2 3.3Å; Y278-F280 PolarHBondContact O-N 3.1Å
279	T	97.5	Very high	83	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123	164.6	-58.1	0	0	0	0	108.3	D147 I148 G260 I261 V281 F284	D147-T279 PolarHBondContact O-OG1 3.32Å; I148-T279 HydrophobicContact CB-CG2 4.21Å; G260-T279 VanDerWaalsContact CA-O 3.28Å; G260-T279 WeakPolarHBondContact CA-O 3.09Å; I261-T279 PolarHBondContact N-O 3.39Å; I261-T279 VanDerWaalsContact N-O 3.16Å; I261-T279 PolarHBondContact O-N 2.69Å; T279-V281 PolarHBondContact O-N 2.92Å; T279-F284 HydrophobicContact CG2-CD2 4.05Å; T279-F284 HydrophobicContact CG2-CE2 3.58Å; T279-F284 HydrophobicContact CG2-CZ 4.24Å
280	F	97.7	Very high	85.5	Confident	23 Å²	23	45.9 Å²	45.9	10%	0.101	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	112.7	175.4	-171	-137.2	0	0	0	108.8	D173 L175 I228 F230 Y259 Y278 P282 P283 F284	D173-F280 WeakPolarHBondContact O-CZ 3.32Å; L175-F280 HydrophobicContact CD1-CD2 4.22Å; L175-F280 HydrophobicContact CD1-CE2 4.07Å; I228-F280 PolarHBondContact O-N 2.88Å; F230-F280 HydrophobicContact CD1-CB 3.8Å; F230-F280 AromaticContact CD1-CD2 3.88Å; F230-F280 HydrophobicContact CD1-CD2 3.88Å; F230-F280 HydrophobicContact CD1-CG 4.22Å; F230-F280 HydrophobicContact CE1-CB 4.31Å; F230-F280 HydrophobicContact CE1-CD2 4.05Å; Y259-F280 HydrophobicContact CD1-CE2 4.05Å; Y278-F280 PolarHBondContact O-N 3.1Å; F280-P282 HydrophobicContact CD2-CG 4.13Å; F280-P282 HydrophobicContact CE1-CB 4.25Å; F280-P282 HydrophobicContact CE1-CG 4.12Å; F280-P282 HydrophobicContact CE2-CG 3.58Å; F280-P282 HydrophobicContact CZ-CB 4.1Å; F280-P282 HydrophobicContact CZ-CG 3.56Å; F280-P283 VanDerWaalsContact CD1-CD 3.48Å; F280-P283 HydrophobicContact CD1-CG 3.64Å; F280-P283 HydrophobicContact CE1-CG 4.11Å; F280-P283 WeakPolarHBondContact O-CD 3.43Å; F280-F284 WeakPolarHBondContact O-CD2 3.35Å; F280-F284 WeakPolarHBondContact O-CE2 3.02Å
281	V	98	Very high	88	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-72.7	-36.9	-171.3	177.7	0	0	0	0	115.2	L90 P169 L258 Y259 I261 T279 P283 F284 I288	L90-V281 HydrophobicContact CD2-CG1 4.31Å; P169-V281 HydrophobicContact CG-CB 4.18Å; P169-V281 HydrophobicContact CG-CG1 3.85Å; L258-V281 HydrophobicContact CG-CG2 4.31Å; L258-V281 WeakPolarHBondContact O-CB 3.39Å; Y259-V281 PolarHBondContact O-N 2.76Å; I261-V281 HydrophobicContact CD1-CG2 4.03Å; I261-V281 HydrophobicContact CG1-CG2 3.81Å; T279-V281 PolarHBondContact O-N 2.92Å; V281-P283 VanDerWaalsContact C-CD 3.48Å; V281-F284 PolarHBondContact O-N 3.04Å; V281-I288 HydrophobicContact CG1-CD1 4.35Å
282	P	97.5	Very high	90.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-50.1	-45.2	-175	-27.7	35	0	0	0	115.8	P169 S170 D173 Y259 F280 F284 V285	P169-P282 HydrophobicContact CB-CB 4.46Å; P169-P282 HydrophobicContact CB-CG 3.88Å; P169-P282 HydrophobicContact CG-CB 4.29Å; P169-P282 HydrophobicContact CG-CG 3.78Å; S170-P282 WeakPolarHBondContact O-CB 3.49Å; D173-P282 HydrophobicContact CB-CB 4.45Å; D173-P282 HydrophobicContact CB-CG 4.24Å; Y259-P282 HydrophobicContact CD1-CG 4.21Å; Y259-P282 HydrophobicContact CE1-CG 4.39Å; F280-P282 HydrophobicContact CD2-CG 4.13Å; F280-P282 HydrophobicContact CE1-CB 4.25Å; F280-P282 HydrophobicContact CE1-CG 4.12Å; F280-P282 HydrophobicContact CE2-CG 3.58Å; F280-P282 HydrophobicContact CZ-CB 4.1Å; F280-P282 HydrophobicContact CZ-CG 3.56Å; P282-F284 PolarHBondContact O-N 3.16Å; P282-F284 VanDerWaalsContact O-N 3.12Å; P282-V285 WeakPolarHBondContact O-CG2 3.35Å; P282-V285 PolarHBondContact O-N 3.15Å
283	P	97.3	Very high	92.3	Very high	61 Å²	61	37.4 Å²	37.4	40%	0.396	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-59.6	-21.2	175.4	-21.8	31.6	0	0	0	114.9	S227 I228 F280 V281	S227-P283 WeakPolarHBondContact O-CG 3.25Å; I228-P283 HydrophobicContact CG2-CB 4.22Å; I228-P283 HydrophobicContact CG2-CG 4.4Å; F280-P283 VanDerWaalsContact CD1-CD 3.48Å; F280-P283 HydrophobicContact CD1-CG 3.64Å; F280-P283 HydrophobicContact CE1-CG 4.11Å; F280-P283 WeakPolarHBondContact O-CD 3.43Å; V281-P283 VanDerWaalsContact C-CD 3.48Å
284	F	97.8	Very high	94	Very high	13 Å²	13	39.7 Å²	39.7	6%	0.057	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-96.4	-1.8	-177.3	-62.8	-83.9	0	0	0	113.7	A135 N146 I148 I228 T279 F280 V281 P282 E286 W287 I288	A135-F284 HydrophobicContact CB-CD1 4.03Å; A135-F284 HydrophobicContact CB-CE1 3.94Å; N146-F284 HydrophobicContact CB-CE1 4.15Å; N146-F284 HydrophobicContact CB-CZ 4.3Å; N146-F284 WeakPolarHBondContact OD1-CE1 3.48Å; N146-F284 WeakPolarHBondContact OD1-CZ 3.11Å; I148-F284 HydrophobicContact CD1-CB 3.79Å; I148-F284 HydrophobicContact CD1-CD2 4.34Å; I148-F284 HydrophobicContact CD1-CG 3.99Å; I148-F284 HydrophobicContact CG2-CD1 3.7Å; I148-F284 HydrophobicContact CG2-CE1 3.82Å; I148-F284 HydrophobicContact CG2-CG 4.1Å; I148-F284 HydrophobicContact CG2-CZ 4.31Å; I228-F284 HydrophobicContact CB-CE2 3.94Å; I228-F284 HydrophobicContact CB-CZ 4.01Å; I228-F284 HydrophobicContact CG2-CE2 3.96Å; I228-F284 HydrophobicContact CG2-CZ 3.9Å; T279-F284 HydrophobicContact CG2-CD2 4.05Å; T279-F284 HydrophobicContact CG2-CE2 3.58Å; T279-F284 HydrophobicContact CG2-CZ 4.24Å; F280-F284 WeakPolarHBondContact O-CD2 3.35Å; F280-F284 WeakPolarHBondContact O-CE2 3.02Å; V281-F284 PolarHBondContact O-N 3.04Å; P282-F284 PolarHBondContact O-N 3.16Å; P282-F284 VanDerWaalsContact O-N 3.12Å; F284-E286 PolarHBondContact O-N 3.48Å; F284-W287 HydrophobicContact CB-CE3 4.4Å; F284-W287 WeakPolarHBondContact O-CA 3.32Å; F284-W287 WeakPolarHBondContact O-CB 3.15Å; F284-W287 PolarHBondContact O-N 2.96Å; F284-W287 VanDerWaalsContact O-N 3.08Å; F284-I288 VanDerWaalsContact O-CG1 3.32Å; F284-I288 WeakPolarHBondContact O-CG1 3.32Å; F284-I288 PolarHBondContact O-N 3.25Å
285	V	97.3	Very high	95.1	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.055	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-45.2	-176	172.7	0	0	0	0	111.8	P169 K171 P282 W287 I288 E289	P169-V285 HydrophobicContact CG-CG2 4Å; P169-V285 WeakPolarHBondContact O-CG2 3.4Å; K171-V285 HydrophobicContact CB-CB 4.32Å; P282-V285 WeakPolarHBondContact O-CG2 3.35Å; P282-V285 PolarHBondContact O-N 3.15Å; V285-W287 VanDerWaalsContact C-N 3.31Å; V285-W287 PolarHBondContact O-N 3.39Å; V285-I288 WeakPolarHBondContact O-CB 3.26Å; V285-I288 PolarHBondContact O-N 3.01Å; V285-E289 WeakPolarHBondContact O-CG 3.07Å; V285-E289 PolarHBondContact O-N 3.06Å
286	E	96.2	Very high	95.7	Very high	89 Å²	89	40.4 Å²	40.4	42%	0.416	20%	0.195	S	C	.	.	H	α-helix	trans	-64.1	-37.9	177	-65.8	-172.4	170	0	0	112	K171 F284 E289 Q290	K171-E286 HydrophobicContact CD-CG 4.04Å; K171-E286 WeakPolarHBondContact CD-OE1 3.47Å; K171-E286 WeakPolarHBondContact CE-OE1 3.4Å; K171-E286 IonicContact NZ-OE1 2.81Å; K171-E286 PolarHBondContact NZ-OE1 2.97Å; F284-E286 PolarHBondContact O-N 3.48Å; E286-E289 PolarHBondContact O-N 3.36Å; E286-Q290 WeakPolarHBondContact O-CB 3.03Å; E286-Q290 VanDerWaalsContact O-CG 3.25Å; E286-Q290 WeakPolarHBondContact O-CG 3.32Å; E286-Q290 PolarHBondContact O-N 3.2Å
287	W	97.4	Very high	96	Very high	44 Å²	44	44.7 Å²	44.7	17%	0.167	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-43.5	174.6	172.5	83.1	0	0	0	111.2	V133 A135 I148 L150 F284 V285 E289 Q290 M291	V133-W287 HydrophobicContact CG2-CH2 4.36Å; V133-W287 HydrophobicContact CG2-CZ2 4.07Å; A135-W287 HydrophobicContact CB-CD2 3.88Å; A135-W287 HydrophobicContact CB-CE3 4.29Å; A135-W287 HydrophobicContact CB-CG 4.4Å; A135-W287 HydrophobicContact CB-CH2 4.26Å; A135-W287 HydrophobicContact CB-CZ2 3.82Å; A135-W287 HydrophobicContact CB-CZ3 4.47Å; I148-W287 HydrophobicContact CD1-CZ3 4.16Å; I148-W287 HydrophobicContact CG1-CZ3 4.01Å; I148-W287 HydrophobicContact CG2-CZ3 4.15Å; L150-W287 HydrophobicContact CB-CH2 3.94Å; L150-W287 HydrophobicContact CB-CZ3 4.17Å; F284-W287 HydrophobicContact CB-CE3 4.4Å; F284-W287 WeakPolarHBondContact O-CA 3.32Å; F284-W287 WeakPolarHBondContact O-CB 3.15Å; F284-W287 PolarHBondContact O-N 2.96Å; F284-W287 VanDerWaalsContact O-N 3.08Å; V285-W287 VanDerWaalsContact C-N 3.31Å; V285-W287 PolarHBondContact O-N 3.39Å; W287-E289 PolarHBondContact O-N 3.46Å; W287-Q290 PolarHBondContact O-N 3.18Å; W287-M291 HydrophobicContact CD2-CG 3.98Å; W287-M291 VanDerWaalsContact CE2-CG 3.42Å; W287-M291 HydrophobicContact CG-CG 4.21Å; W287-M291 HydrophobicContact CZ2-CG 3.75Å; W287-M291 VanDerWaalsContact NE1-CG 3.34Å; W287-M291 VanDerWaalsContact O-CB 3.3Å; W287-M291 WeakPolarHBondContact O-CB 3.12Å; W287-M291 VanDerWaalsContact O-CG 3.25Å; W287-M291 WeakPolarHBondContact O-CG 3.33Å; W287-M291 PolarHBondContact O-N 2.95Å
288	I	97.5	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-47.3	176.3	-66.1	166.1	0	0	0	110.3	I78 I80 L90 I148 L150 L168 V281 F284 V285 Q290 M291 E292	I78-I288 HydrophobicContact CD1-CG2 3.9Å; I80-I288 HydrophobicContact CD1-CG2 3.93Å; L90-I288 HydrophobicContact CD1-CD1 3.94Å; L90-I288 HydrophobicContact CD1-CG1 4.09Å; L90-I288 HydrophobicContact CD2-CD1 3.91Å; I148-I288 HydrophobicContact CD1-CD1 4.32Å; L150-I288 HydrophobicContact CD1-CG2 4.38Å; L150-I288 HydrophobicContact CD2-CG2 4.38Å; L168-I288 HydrophobicContact CD1-CG2 4.23Å; L168-I288 HydrophobicContact CD2-CD1 4.16Å; V281-I288 HydrophobicContact CG1-CD1 4.35Å; F284-I288 VanDerWaalsContact O-CG1 3.32Å; F284-I288 WeakPolarHBondContact O-CG1 3.32Å; F284-I288 PolarHBondContact O-N 3.25Å; V285-I288 WeakPolarHBondContact O-CB 3.26Å; V285-I288 PolarHBondContact O-N 3.01Å; I288-Q290 PolarHBondContact O-N 2.99Å; I288-M291 PolarHBondContact O-N 2.84Å; I288-E292 WeakPolarHBondContact O-CB 3.25Å; I288-E292 PolarHBondContact O-N 3.09Å
289	E	96	Very high	96	Very high	84 Å²	84	50.4 Å²	50.4	39%	0.393	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-36	179.2	-70.4	179.8	166.9	0	0	113.9	I80 V285 E286 W287	I80-E289 HydrophobicContact CD1-CG 4.42Å; I80-E289 HydrophobicContact CG2-CG 4.01Å; V285-E289 WeakPolarHBondContact O-CG 3.07Å; V285-E289 PolarHBondContact O-N 3.06Å; E286-E289 PolarHBondContact O-N 3.36Å; W287-E289 PolarHBondContact O-N 3.46Å
290	Q	96.5	Very high	95.8	Very high	108 Å²	108	57.1 Å²	57.1	51%	0.505	29%	0.287	S	S	.	.	H	α-helix	trans	-72.9	-45.7	176.5	-72	172.8	14	0	0	111.4	E286 W287 I288 K293	E286-Q290 WeakPolarHBondContact O-CB 3.03Å; E286-Q290 VanDerWaalsContact O-CG 3.25Å; E286-Q290 WeakPolarHBondContact O-CG 3.32Å; E286-Q290 PolarHBondContact O-N 3.2Å; W287-Q290 PolarHBondContact O-N 3.18Å; I288-Q290 PolarHBondContact O-N 2.99Å; Q290-K293 PolarHBondContact O-N 2.92Å
291	M	95.7	Very high	95.6	Very high	25 Å²	25	60.5 Å²	60.5	12%	0.123	30%	0.302	C	S	.	.	H	α-helix	trans	-69.7	-35.2	-176.3	-74.3	-50	94.7	0	0	113	V133 L150 W287 I288 K293 Q294 L295	V133-M291 HydrophobicContact CG2-CB 3.78Å; V133-M291 HydrophobicContact CG2-CG 3.87Å; V133-M291 HydrophobicContact CG2-SD 4.22Å; L150-M291 HydrophobicContact CD2-CB 3.88Å; W287-M291 HydrophobicContact CD2-CG 3.98Å; W287-M291 VanDerWaalsContact CE2-CG 3.42Å; W287-M291 HydrophobicContact CG-CG 4.21Å; W287-M291 HydrophobicContact CZ2-CG 3.75Å; W287-M291 VanDerWaalsContact NE1-CG 3.34Å; W287-M291 VanDerWaalsContact O-CB 3.3Å; W287-M291 WeakPolarHBondContact O-CB 3.12Å; W287-M291 VanDerWaalsContact O-CG 3.25Å; W287-M291 WeakPolarHBondContact O-CG 3.33Å; W287-M291 PolarHBondContact O-N 2.95Å; I288-M291 PolarHBondContact O-N 2.84Å; M291-K293 PolarHBondContact O-N 2.84Å; M291-Q294 PolarHBondContact O-N 3.06Å; M291-L295 WeakPolarHBondContact O-CG 3.4Å; M291-L295 PolarHBondContact O-N 2.64Å
292	E	94.2	Very high	95.4	Very high	40 Å²	40	61.9 Å²	61.9	19%	0.187	31%	0.309	C	S	.	.	H	α-helix	trans	-52.9	-44.7	174.2	-177.2	-83.7	143.9	0	0	111.6	I80 L88 L150 R152 I288 Q294 L295	I80-E292 HydrophobicContact CD1-CB 3.43Å; I80-E292 VanDerWaalsContact CD1-CB 3.43Å; I80-E292 HydrophobicContact CD1-CG 3.57Å; I80-E292 HydrophobicContact CG1-CG 4.44Å; L88-E292 HydrophobicContact CD1-CB 4.4Å; L88-E292 HydrophobicContact CD1-CG 3.5Å; L88-E292 HydrophobicContact CD2-CG 4.11Å; L88-E292 HydrophobicContact CG-CG 4.41Å; L150-E292 HydrophobicContact CD2-CB 4.29Å; R152-E292 IonicContact CZ-OE1 2.8Å; R152-E292 IonicContact NH1-OE1 2.73Å; R152-E292 PolarHBondContact NH2-O 3.35Å; R152-E292 IonicContact NH2-OE1 3.8Å; R152-E292 PolarHBondContact NH2-OE1 3.43Å; I288-E292 WeakPolarHBondContact O-CB 3.25Å; I288-E292 PolarHBondContact O-N 3.09Å; E292-Q294 VanDerWaalsContact C-N 3.27Å; E292-Q294 PolarHBondContact O-N 3.42Å; E292-L295 PolarHBondContact O-N 2.83Å
293	K	94.1	Very high	95.1	Very high	151 Å²	151	65.5 Å²	65.5	66%	0.657	33%	0.333	S	S	*	.	H	α-helix	trans	-67.4	-23.7	178.7	-61.6	170.9	-172.5	168.5	0	113.8	Q290 M291	Q290-K293 PolarHBondContact O-N 2.92Å; M291-K293 PolarHBondContact O-N 2.84Å
294	Q	93.3	Very high	94.6	Very high	137 Å²	137	66.6 Å²	66.6	64%	0.64	34%	0.338	S	S	*	.	H	α-helix	trans	-90.9	-21.4	-179.7	-64.8	-175.6	12.4	0	0	112.9	M291 E292	M291-Q294 PolarHBondContact O-N 3.06Å; E292-Q294 VanDerWaalsContact C-N 3.27Å; E292-Q294 PolarHBondContact O-N 3.42Å
295	L	94.9	Very high	94.1	Very high	8 Å²	8	73 Å²	73	4%	0.042	37%	0.373	C	S	.	.	S	Bend	trans	-71	138.3	173.9	-72.6	168.7	0	0	0	109.6	K131 V133 L150 R152 M291 E292	K131-L295 HydrophobicContact CB-CD2 3.95Å; K131-L295 HydrophobicContact CD-CD2 4.11Å; K131-L295 HydrophobicContact CG-CD2 3.87Å; V133-L295 HydrophobicContact CG1-CD2 3.98Å; V133-L295 HydrophobicContact CG2-CD1 4.33Å; V133-L295 HydrophobicContact CG2-CD2 4.42Å; V133-L295 HydrophobicContact CG2-CG 4.48Å; L150-L295 HydrophobicContact CD2-CD1 3.84Å; L150-L295 HydrophobicContact CG-CD1 3.91Å; R152-L295 HydrophobicContact CB-CB 4.16Å; R152-L295 HydrophobicContact CB-CD1 4.08Å; R152-L295 HydrophobicContact CB-CG 4.5Å; M291-L295 WeakPolarHBondContact O-CG 3.4Å; M291-L295 PolarHBondContact O-N 2.64Å; E292-L295 PolarHBondContact O-N 2.83Å
296	P	95.4	Very high	93.6	Very high	44 Å²	44	74.8 Å²	74.8	29%	0.286	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-60.1	146.4	175.1	27.6	-34.8	0	0	0	109.9	K130 K131 R152	K130-P296 HydrophobicContact CD-CG 4.33Å; K130-P296 HydrophobicContact CG-CG 4.35Å; K131-P296 HydrophobicContact CB-CG 4.19Å; K131-P296 HydrophobicContact CD-CG 4.14Å; R152-P296 VanDerWaalsContact CG-O 3.29Å; R152-P296 WeakPolarHBondContact CG-O 3.26Å; R152-P296 PolarHBondContact NE-O 2.99Å
297	P	93.8	Very high	93.2	Very high	93 Å²	93	70.7 Å²	70.7	60%	0.604	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-63.1	157.4	178.7	27.6	-35.2	0	0	0	111.3	K130	K130-P297 WeakPolarHBondContact CD-O 3.37Å; K130-P297 WeakPolarHBondContact CE-O 3.2Å; K130-P297 PolarHBondContact NZ-O 2.72Å
298	S	93.9	Very high	92.8	Very high	33 Å²	33	70.4 Å²	70.4	23%	0.231	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-58.4	153.2	168.4	60.7	0	0	0	0	111.5	D87 K154	D87-S298 WeakPolarHBondContact OD2-CB 3.37Å; D87-S298 PolarHBondContact OD2-OG 2.99Å; K154-S298 CarbonylContact O-C 3.46Å; K154-S298 WeakPolarHBondContact O-CB 3.46Å
299	D	94.5	Very high	92.3	Very high	95 Å²	95	74.2 Å²	74.2	51%	0.508	39%	0.388	S	S	.	.	S	Bend	trans	-68.7	-50.9	178.8	-59.5	-36	0	0	0	111	K130 K154	K130-D299 IonicContact NZ-OD1 3.82Å; K130-D299 PolarHBondContact NZ-OD1 3.05Å; K154-D299 PolarHBondContact O-N 3.4Å
300	E	93.3	Very high	91.7	Very high	141 Å²	141	71.4 Å²	71.4	66%	0.659	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.5	175.5	-176.6	-62.7	-177.8	174.7	0	0	111.2	N155 G156	N155-E300 CarbonylContact C-O 3.46Å; N155-E300 WeakPolarHBondContact CA-O 3.07Å; G156-E300 PolarHBondContact N-O 2.84Å
301	K	93.1	Very high	90.8	Very high	95 Å²	95	67.8 Å²	67.8	41%	0.413	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.3	171	175.2	177.7	175.5	178	0	109.7	N84 V85	N84-K301 PolarHBondContact OD1-NZ 3.34Å; V85-K301 HydrophobicContact CB-CD 4.27Å; V85-K301 HydrophobicContact CG2-CD 4.08Å; V85-K301 HydrophobicContact CG2-CG 3.97Å
302	L	93.3	Very high	89.5	Confident	29 Å²	29	68.9 Å²	68.9	15%	0.152	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-64.9	138.9	170.9	-67.8	174.3	0	0	0	110.7	T125 V127 N155 G156 V157	T125-L302 HydrophobicContact CG2-CD1 4.08Å; V127-L302 HydrophobicContact CG2-CD1 3.76Å; N155-L302 HydrophobicContact CB-CD1 4.5Å; N155-L302 HydrophobicContact CB-CD2 3.79Å; N155-L302 HydrophobicContact CB-CG 3.72Å; G156-L302 PolarHBondContact O-N 2.94Å; V157-L302 HydrophobicContact CG2-CD1 4.5Å
303	P	91.9	Very high	88.2	Confident	77 Å²	77	74.8 Å²	74.8	50%	0.5	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-54.9	145.4	165.9	-24.1	34.7	0	0	0	111.2	D305 A306	P303-D305 VanDerWaalsContact C-N 3.27Å; P303-D305 WeakPolarHBondContact CB-OD1 2.82Å; P303-D305 PolarHBondContact O-N 3.05Å; P303-A306 HydrophobicContact CB-CB 4.15Å; P303-A306 HydrophobicContact CG-CB 4.43Å; P303-A306 WeakPolarHBondContact O-CB 3.41Å; P303-A306 PolarHBondContact O-N 3.31Å; P303-A306 VanDerWaalsContact O-N 3.09Å
304	V	87.1	Confident	86.8	Confident	83 Å²	83	73.4 Å²	73.4	50%	0.503	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-62.8	-37.7	-177.2	175.3	0	0	0	0	111.4	P158 T160 A306 V307	P158-V304 HydrophobicContact CB-CG2 3.99Å; P158-V304 HydrophobicContact CG-CG2 4.25Å; T160-V304 HydrophobicContact CG2-CG1 4.16Å; V304-A306 VanDerWaalsContact C-N 3.26Å; V304-A306 PolarHBondContact O-N 3.03Å; V304-V307 PolarHBondContact O-N 3.47Å
305	D	86	Confident	85.7	Confident	147 Å²	147	69.6 Å²	69.6	79%	0.786	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-71.7	-15.1	176.6	59.5	-37.9	0	0	0	113.8	P303 V307	P303-D305 VanDerWaalsContact C-N 3.27Å; P303-D305 WeakPolarHBondContact CB-OD1 2.82Å; P303-D305 PolarHBondContact O-N 3.05Å; D305-V307 VanDerWaalsContact C-N 3.29Å
306	A	87.5	Confident	84.5	Confident	47 Å²	47	72.3 Å²	72.3	39%	0.388	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-79.3	-12.4	172.6	0	0	0	0	0	113	T125 P303 V304 H308	T125-A306 PolarHBondContact OG1-O 2.91Å; P303-A306 HydrophobicContact CB-CB 4.15Å; P303-A306 HydrophobicContact CG-CB 4.43Å; P303-A306 WeakPolarHBondContact O-CB 3.41Å; P303-A306 PolarHBondContact O-N 3.31Å; P303-A306 VanDerWaalsContact O-N 3.09Å; V304-A306 VanDerWaalsContact C-N 3.26Å; V304-A306 PolarHBondContact O-N 3.03Å; A306-H308 PolarHBondContact O-N 2.04Å
307	V	88.4	Confident	83.2	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.024	40%	0.396	C	S	.	.	S	Bend	trans	-83.5	116.6	174.7	-162.1	0	0	0	0	108.9	V114 T125 P158 T160 Y162 T163 V304 D305	V114-V307 HydrophobicContact CG2-CG1 4.38Å; T125-V307 WeakPolarHBondContact OG1-CA 3.05Å; P158-V307 HydrophobicContact CG-CG2 3.56Å; T160-V307 HydrophobicContact CG2-CB 4.33Å; T160-V307 HydrophobicContact CG2-CG2 4.41Å; Y162-V307 HydrophobicContact CD2-CG1 3.87Å; Y162-V307 HydrophobicContact CE2-CB 3.75Å; Y162-V307 HydrophobicContact CE2-CG1 3.41Å; Y162-V307 VanDerWaalsContact CE2-CG1 3.41Å; Y162-V307 PolarHBondContact OH-O 3.28Å; T163-V307 HydrophobicContact CG2-CG1 3.54Å; V304-V307 PolarHBondContact O-N 3.47Å; D305-V307 VanDerWaalsContact C-N 3.29Å
308	H	87.6	Confident	81.7	Confident	38 Å²	38	73.9 Å²	73.9	18%	0.176	39%	0.393	C	S	.	.			trans	-81	123.8	-172.3	-175	51.1	0	0	0	111	D121 R123 T125 A306	D121-H308 IonicContact OD1-NE2 3.44Å; D121-H308 IonicContact OD2-CD2 3.84Å; D121-H308 PolarHBondContact OD2-CD2 3.06Å; D121-H308 IonicContact OD2-NE2 2.7Å; D121-H308 PolarHBondContact OD2-NE2 2.8Å; R123-H308 WeakPolarHBondContact CB-NE2 3.45Å; R123-H308 VanDerWaalsContact CZ-CE1 3.44Å; R123-H308 PolarHBondContact NE-CE1 2.94Å; R123-H308 PolarHBondContact NE-NE2 2.77Å; R123-H308 PolarHBondContact NH2-CE1 2.76Å; R123-H308 PolarHBondContact NH2-NE2 3.02Å; R123-H308 VanDerWaalsContact O-CB 3.29Å; R123-H308 WeakPolarHBondContact O-CB 3.21Å; R123-H308 PolarHBondContact O-CD2 3.36Å; R123-H308 VanDerWaalsContact O-CG 3.29Å; T125-H308 WeakPolarHBondContact OG1-CB 3.5Å; T125-H308 PolarHBondContact OG1-N 2.97Å; A306-H308 PolarHBondContact O-N 2.04Å
309	E	87.1	Confident	80.4	Confident	80 Å²	80	76 Å²	76	37%	0.374	40%	0.401	S	S	.	.			trans	-79.9	114.5	163.3	-173.3	-175.4	176.7	0	0	109.4	H51 Y162 L311	H51-E309 VanDerWaalsContact CE1-CG 3.48Å; H51-E309 WeakPolarHBondContact CE1-CG 3.12Å; H51-E309 WeakPolarHBondContact NE2-CG 3.3Å; H51-E309 IonicContact NE2-OE1 3.76Å; Y162-E309 HydrophobicContact CD1-CB 4.27Å; Y162-E309 HydrophobicContact CD1-CG 4.24Å; Y162-E309 HydrophobicContact CE1-CB 3.91Å; Y162-E309 HydrophobicContact CE1-CG 4.26Å; E309-L311 HydrophobicContact CG-CD2 4.41Å; E309-L311 PolarHBondContact O-N 3.13Å
310	Y	84.3	Confident	79.2	Confident	24 Å²	24	77.9 Å²	77.9	9%	0.094	41%	0.407	C	S	.	.			trans	-58.3	131.9	169.1	173.4	-103.8	0	0	0	110.9	K50 H51 H117 D118 D121 T312	K50-Y310 HydrophobicContact CD-CD1 3.64Å; K50-Y310 HydrophobicContact CD-CE1 4.18Å; K50-Y310 WeakPolarHBondContact CD-O 3.05Å; K50-Y310 HydrophobicContact CG-CD1 3.86Å; K50-Y310 PolarHBondContact NZ-O 2.99Å; H51-Y310 PolarHBondContact CE1-O 3.39Å; H51-Y310 VanDerWaalsContact CE1-O 3.31Å; H51-Y310 PolarHBondContact NE2-O 3.4Å; H117-Y310 HydrophobicContact CB-CD1 3.64Å; H117-Y310 HydrophobicContact CB-CE1 4.17Å; H117-Y310 HydrophobicContact CB-CG 4.01Å; H117-Y310 AromaticContact CD2-CD1 3.95Å; H117-Y310 AromaticContact CD2-CE1 3.66Å; D118-Y310 HydrophobicContact CB-CD2 4.09Å; D118-Y310 HydrophobicContact CB-CE1 4.33Å; D118-Y310 HydrophobicContact CB-CE2 3.36Å; D118-Y310 VanDerWaalsContact CB-CZ 3.49Å; D118-Y310 WeakPolarHBondContact CB-OH 3.27Å; D118-Y310 PolarHBondContact OD2-OH 2.9Å; D121-Y310 HydrophobicContact CB-CD2 3.9Å; D121-Y310 HydrophobicContact CB-CE2 4.17Å; D121-Y310 WeakPolarHBondContact OD2-CD2 3.46Å; Y310-T312 HydrophobicContact CE1-CG2 4.11Å
311	L	76.7	Confident	77.7	Confident	32 Å²	32	78.5 Å²	78.5	17%	0.168	40%	0.403	C	S	.	.			trans	-127	135.4	174.3	-63.7	173.1	0	0	0	108.8	E309 E315 M316 I319	E309-L311 HydrophobicContact CG-CD2 4.41Å; E309-L311 PolarHBondContact O-N 3.13Å; L311-E315 HydrophobicContact CB-CB 4.28Å; L311-E315 HydrophobicContact CD2-CB 4.34Å; L311-M316 HydrophobicContact CB-CG 3.74Å; L311-M316 HydrophobicContact CD1-CG 4.33Å; L311-I319 HydrophobicContact CD1-CD1 3.71Å; L311-I319 HydrophobicContact CD2-CD1 4.48Å
312	T	68.5	Low	76.3	Confident	48 Å²	48	78.5 Å²	78.5	29%	0.294	41%	0.408	S	S	.	.			trans	-65.4	159.4	172.3	64	0	0	0	0	110.5	Y310 N314 E315 M316	Y310-T312 HydrophobicContact CE1-CG2 4.11Å; T312-N314 PolarHBondContact O-N 2.69Å; T312-E315 PolarHBondContact N-OE2 2.82Å; T312-E315 PolarHBondContact O-N 2.84Å; T312-E315 VanDerWaalsContact O-N 3.1Å; T312-E315 VanDerWaalsContact OG1-CG 3.25Å; T312-E315 WeakPolarHBondContact OG1-CG 3.36Å; T312-E315 PolarHBondContact OG1-N 3.23Å; T312-E315 VanDerWaalsContact OG1-N 3.15Å; T312-E315 PolarHBondContact OG1-OE2 3.17Å; T312-E315 VanDerWaalsContact OG1-OE2 3.05Å; T312-M316 WeakPolarHBondContact O-CG 3.34Å; T312-M316 PolarHBondContact O-N 3.26Å
313	Q	68	Low	75	Confident	164 Å²	164	84.7 Å²	84.7	77%	0.766	43%	0.434	S	S	*	.	H	α-helix	trans	-55.5	-37.1	174.4	-69.2	-178.8	-11.4	0	0	112.1	M316 A317	Q313-M316 HydrophobicContact CG-CE 4.17Å; Q313-A317 VanDerWaalsContact O-CB 3.25Å; Q313-A317 WeakPolarHBondContact O-CB 3.49Å; Q313-A317 PolarHBondContact O-N 3.04Å
314	N	63.5	Low	73.4	Confident	123 Å²	123	84.4 Å²	84.4	66%	0.658	43%	0.431	S	S	*	.	H	α-helix	trans	-66.7	-42.1	176.4	-72.2	-12.2	0	0	0	112.5	T312 A317 Q318	T312-N314 PolarHBondContact O-N 2.69Å; N314-A317 PolarHBondContact O-N 3Å; N314-Q318 VanDerWaalsContact O-CB 3.32Å; N314-Q318 WeakPolarHBondContact O-CB 3.25Å; N314-Q318 VanDerWaalsContact O-CG 3.28Å; N314-Q318 WeakPolarHBondContact O-CG 3.22Å; N314-Q318 PolarHBondContact O-N 3.25Å
315	E	71.3	Confident	71.8	Confident	56 Å²	56	83.8 Å²	83.8	26%	0.262	42%	0.424	S	S	.	.	H	α-helix	trans	-67.2	-41.5	176.6	-72.8	168.2	134.1	0	0	111.5	K50 L311 T312 Q318 I319	K50-E315 IonicContact NZ-OE1 2.71Å; K50-E315 PolarHBondContact NZ-OE1 2.68Å; K50-E315 IonicContact NZ-OE2 3.15Å; K50-E315 PolarHBondContact NZ-OE2 2.81Å; L311-E315 HydrophobicContact CB-CB 4.28Å; L311-E315 HydrophobicContact CD2-CB 4.34Å; T312-E315 PolarHBondContact N-OE2 2.82Å; T312-E315 PolarHBondContact O-N 2.84Å; T312-E315 VanDerWaalsContact O-N 3.1Å; T312-E315 VanDerWaalsContact OG1-CG 3.25Å; T312-E315 WeakPolarHBondContact OG1-CG 3.36Å; T312-E315 PolarHBondContact OG1-N 3.23Å; T312-E315 VanDerWaalsContact OG1-N 3.15Å; T312-E315 PolarHBondContact OG1-OE2 3.17Å; T312-E315 VanDerWaalsContact OG1-OE2 3.05Å; E315-Q318 PolarHBondContact O-N 3.28Å; E315-I319 WeakPolarHBondContact O-CB 3.48Å; E315-I319 VanDerWaalsContact O-CG1 3.28Å; E315-I319 WeakPolarHBondContact O-CG1 3.26Å; E315-I319 PolarHBondContact O-N 2.97Å
316	M	69.5	Low	70.1	Confident	65 Å²	65	84.2 Å²	84.2	32%	0.32	43%	0.427	S	S	.	.	H	α-helix	trans	-59.9	-47.9	173.5	-69.1	-169.7	-69.8	0	0	110.8	R123 L311 T312 Q313 Q318 I319 E320	R123-M316 PolarHBondContact NH2-SD 3.13Å; L311-M316 HydrophobicContact CB-CG 3.74Å; L311-M316 HydrophobicContact CD1-CG 4.33Å; T312-M316 WeakPolarHBondContact O-CG 3.34Å; T312-M316 PolarHBondContact O-N 3.26Å; Q313-M316 HydrophobicContact CG-CE 4.17Å; M316-Q318 VanDerWaalsContact C-N 3.32Å; M316-Q318 PolarHBondContact O-N 3.26Å; M316-I319 PolarHBondContact O-N 3.41Å; M316-E320 WeakPolarHBondContact O-CB 3.29Å; M316-E320 PolarHBondContact O-N 2.97Å
317	A	67.7	Low	68.4	Low	53 Å²	53	85.7 Å²	85.7	44%	0.438	44%	0.439	S	S	.	.	H	α-helix	trans	-62.6	-38.1	176.4	0	0	0	0	0	111.9	Q313 N314 R321	Q313-A317 VanDerWaalsContact O-CB 3.25Å; Q313-A317 WeakPolarHBondContact O-CB 3.49Å; Q313-A317 PolarHBondContact O-N 3.04Å; N314-A317 PolarHBondContact O-N 3Å; A317-R321 WeakPolarHBondContact O-CB 3.42Å; A317-R321 PolarHBondContact O-N 3Å
318	Q	63.5	Low	66.1	Low	117 Å²	117	92.2 Å²	92.2	55%	0.547	47%	0.471	S	S	.	.	H	α-helix	trans	-68.6	-41.3	176	-81.5	178.1	-8.4	0	0	112.5	N314 E315 M316 E320 R321 N322	N314-Q318 VanDerWaalsContact O-CB 3.32Å; N314-Q318 WeakPolarHBondContact O-CB 3.25Å; N314-Q318 VanDerWaalsContact O-CG 3.28Å; N314-Q318 WeakPolarHBondContact O-CG 3.22Å; N314-Q318 PolarHBondContact O-N 3.25Å; E315-Q318 PolarHBondContact O-N 3.28Å; M316-Q318 VanDerWaalsContact C-N 3.32Å; M316-Q318 PolarHBondContact O-N 3.26Å; Q318-E320 VanDerWaalsContact C-N 3.33Å; Q318-R321 CarbonylContact O-C 3.43Å; Q318-R321 PolarHBondContact O-N 3Å; Q318-N322 WeakPolarHBondContact O-CB 3.49Å; Q318-N322 VanDerWaalsContact O-CG 3.23Å; Q318-N322 PolarHBondContact O-N 3.11Å
319	I	66.1	Low	63.8	Low	77 Å²	77	100.4 Å²	100.4	40%	0.395	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-45.1	175.2	-71.7	164.6	0	0	0	109.7	L311 E315 M316 R321 N322 K323	L311-I319 HydrophobicContact CD1-CD1 3.71Å; L311-I319 HydrophobicContact CD2-CD1 4.48Å; E315-I319 WeakPolarHBondContact O-CB 3.48Å; E315-I319 VanDerWaalsContact O-CG1 3.28Å; E315-I319 WeakPolarHBondContact O-CG1 3.26Å; E315-I319 PolarHBondContact O-N 2.97Å; M316-I319 PolarHBondContact O-N 3.41Å; I319-R321 VanDerWaalsContact C-N 3.34Å; I319-N322 PolarHBondContact O-N 2.7Å; I319-K323 WeakPolarHBondContact O-CG 3.23Å; I319-K323 PolarHBondContact O-N 3.48Å
320	E	69.2	Low	61.6	Low	136 Å²	136	104.9 Å²	104.9	64%	0.636	52%	0.524	S	S	*	.	H	α-helix	trans	-64.3	-40.9	175.5	-167.9	163.8	-161.9	0	0	111.3	M316 Q318 N322 K323 T324	M316-E320 WeakPolarHBondContact O-CB 3.29Å; M316-E320 PolarHBondContact O-N 2.97Å; Q318-E320 VanDerWaalsContact C-N 3.33Å; E320-N322 PolarHBondContact O-N 3.39Å; E320-K323 WeakPolarHBondContact O-CB 3.44Å; E320-K323 PolarHBondContact O-N 3.3Å; E320-T324 PolarHBondContact O-N 3.34Å; E320-T324 VanDerWaalsContact O-N 3.1Å; E320-T324 PolarHBondContact O-OG1 2.61Å
321	R	61	Low	59.5	Low	153 Å²	153	109.4 Å²	109.4	58%	0.577	56%	0.556	S	S	*	*	H	α-helix	trans	-64.2	-39.8	174.6	-157.5	-169.2	-163.3	174.6	4.6	112	A317 Q318 I319 T324 L325	A317-R321 WeakPolarHBondContact O-CB 3.42Å; A317-R321 PolarHBondContact O-N 3Å; Q318-R321 CarbonylContact O-C 3.43Å; Q318-R321 PolarHBondContact O-N 3Å; I319-R321 VanDerWaalsContact C-N 3.34Å; R321-T324 CarbonylContact O-C 3.57Å; R321-T324 PolarHBondContact O-N 3.13Å; R321-T324 VanDerWaalsContact O-N 3.11Å; R321-L325 HydrophobicContact CB-CD1 4.48Å; R321-L325 HydrophobicContact CG-CD1 3.63Å; R321-L325 HydrophobicContact CG-CG 4.33Å; R321-L325 VanDerWaalsContact O-CB 3.26Å; R321-L325 WeakPolarHBondContact O-CB 3.43Å; R321-L325 PolarHBondContact O-N 2.86Å
322	N	64.2	Low	57.6	Low	95 Å²	95	114.1 Å²	114.1	51%	0.508	59%	0.587	S	S	.	*	H	α-helix	trans	-68.5	-35.5	178.3	-75.7	-12.5	0	0	0	111.5	Q318 I319 E320 T324 N326	Q318-N322 WeakPolarHBondContact O-CB 3.49Å; Q318-N322 VanDerWaalsContact O-CG 3.23Å; Q318-N322 PolarHBondContact O-N 3.11Å; I319-N322 PolarHBondContact O-N 2.7Å; E320-N322 PolarHBondContact O-N 3.39Å; N322-T324 PolarHBondContact O-N 2.82Å; N322-N326 PolarHBondContact O-N 2.82Å
323	K	65.9	Low	56.3	Low	159 Å²	159	121.3 Å²	121.3	69%	0.691	61%	0.608	S	S	*	*	H	α-helix	trans	-59.4	-38	168.7	-70.5	177.8	-178.8	-178.1	0	111.3	I319 E320	I319-K323 WeakPolarHBondContact O-CG 3.23Å; I319-K323 PolarHBondContact O-N 3.48Å; E320-K323 WeakPolarHBondContact O-CB 3.44Å; E320-K323 PolarHBondContact O-N 3.3Å
324	T	59.3	Low	55.1	Low	72 Å²	72	119.6 Å²	119.6	44%	0.442	61%	0.609	S	S	.	*	H	α-helix	trans	-84.8	-31.6	-179.6	-46.2	0	0	0	0	113.9	E320 R321 N322 A327	E320-T324 PolarHBondContact O-N 3.34Å; E320-T324 VanDerWaalsContact O-N 3.1Å; E320-T324 PolarHBondContact O-OG1 2.61Å; R321-T324 CarbonylContact O-C 3.57Å; R321-T324 PolarHBondContact O-N 3.13Å; R321-T324 VanDerWaalsContact O-N 3.11Å; N322-T324 PolarHBondContact O-N 2.82Å; T324-A327 WeakPolarHBondContact O-CA 3.38Å; T324-A327 WeakPolarHBondContact O-CB 3.17Å; T324-A327 PolarHBondContact O-N 3.26Å
325	L	52.2	Low	54.1	Low	70 Å²	70	115.7 Å²	115.7	37%	0.366	59%	0.594	S	S	.	*	H	α-helix	trans	-72.9	-28.7	-179.4	-97.7	156.1	0	0	0	112.1	R321 A327 M328	R321-L325 HydrophobicContact CB-CD1 4.48Å; R321-L325 HydrophobicContact CG-CD1 3.63Å; R321-L325 HydrophobicContact CG-CG 4.33Å; R321-L325 VanDerWaalsContact O-CB 3.26Å; R321-L325 WeakPolarHBondContact O-CB 3.43Å; R321-L325 PolarHBondContact O-N 2.86Å; L325-A327 PolarHBondContact O-N 2.69Å; L325-M328 PolarHBondContact O-N 3.14Å
326	N	51.4	Low	52.8	Low	156 Å²	156	121.8 Å²	121.8	83%	0.834	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-5.7	166.2	-75.1	-17.3	0	0	0	112.8	N322	N322-N326 PolarHBondContact O-N 2.82Å
327	A	50	Low	51.7	Low	78 Å²	78	126.1 Å²	126.1	65%	0.645	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	1.1	176.3	0	0	0	0	0	115.2	T324 L325	T324-A327 WeakPolarHBondContact O-CA 3.38Å; T324-A327 WeakPolarHBondContact O-CB 3.17Å; T324-A327 PolarHBondContact O-N 3.26Å; L325-A327 PolarHBondContact O-N 2.69Å
328	M	41.1	Very low	50.8	Low	141 Å²	141	126.1 Å²	126.1	70%	0.695	64%	0.635	S	S	*	*			trans	-145.7	137.5	-175	-67	-169.8	-176.3	0	0	115.9	L325	L325-M328 PolarHBondContact O-N 3.14Å
329	K	38.5	Very low	50.2	Low	209 Å²	209	126.4 Å²	126.4	91%	0.909	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-71.3	134.5	173.1	-72.9	-179.4	175.3	178.5	0	111.6
330	K	42.6	Very low	49.6	Very low	174 Å²	174	126.1 Å²	126.1	76%	0.757	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-59.6	131.9	176	-88.6	-179.3	173.6	-177.9	0	112
331	P	39.6	Very low	48.9	Very low	119 Å²	119	122.4 Å²	122.4	77%	0.773	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-87	134	164	31.8	-26.5	0	0	0	110.8
332	T	35.6	Very low	48.7	Very low	132 Å²	132	117.1 Å²	117.1	81%	0.81	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-84.4	118.7	173.9	-27.1	0	0	0	0	108.9
333	R	43	Very low	48.2	Very low	198 Å²	198	116.3 Å²	116.3	75%	0.747	62%	0.624	S	S	*	*			trans	-108.4	108.5	165.4	-78	-172.2	178.1	-173.7	-0.8	108.5
334	V	42.1	Very low	47.8	Very low	128 Å²	128	113.4 Å²	113.4	78%	0.776	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-80.2	125.4	169.1	179.7	0	0	0	0	107.1
335	A	42.4	Very low	47.9	Very low	41 Å²	41	115.5 Å²	115.5	34%	0.339	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-81	146.3	173.8	0	0	0	0	0	110.3	V630	A335-V630 HydrophobicContact CB-CB 4Å; A335-V630 HydrophobicContact CB-CG1 3.2Å; A335-V630 HydrophobicContact CB-CG2 4.44Å
336	Q	43.5	Very low	48.7	Very low	185 Å²	185	113.3 Å²	113.3	86%	0.864	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-65.6	141	179.9	-71.1	178.5	-10.5	0	0	110.2	P338	Q336-P338 WeakPolarHBondContact O-CD 3.23Å
337	K	46.3	Very low	50.1	Low	155 Å²	155	112 Å²	112	67%	0.674	60%	0.602	S	S	*	*			trans	-60.4	111.1	175.3	-162.5	-178.7	-175.8	171.2	0	109.2	Y626	K337-Y626 HydrophobicContact CD-CD1 4.42Å; K337-Y626 HydrophobicContact CG-CD1 3.47Å; K337-Y626 VanDerWaalsContact CG-CD1 3.47Å; K337-Y626 HydrophobicContact CG-CE1 3.8Å; K337-Y626 HydrophobicContact CG-CG 4.44Å
338	P	48.7	Very low	52.2	Low	54 Å²	54	110.1 Å²	110.1	35%	0.351	58%	0.584	S	S	.	*			trans	-55	148.3	167.4	7	-13.9	0	0	0	112	Q336 A340 Y626	Q336-P338 WeakPolarHBondContact O-CD 3.23Å; P338-A340 PolarHBondContact O-N 2.94Å; P338-Y626 HydrophobicContact CB-CE1 3.97Å; P338-Y626 WeakPolarHBondContact CB-OH 3.28Å; P338-Y626 HydrophobicContact CG-CD1 4.48Å; P338-Y626 HydrophobicContact CG-CE1 3.38Å; P338-Y626 VanDerWaalsContact CG-OH 3.27Å; P338-Y626 WeakPolarHBondContact CG-OH 3.46Å; P338-Y626 WeakPolarHBondContact O-CE1 3.5Å; P338-Y626 PolarHBondContact O-OH 3.43Å
339	V	51.8	Low	54.6	Low	122 Å²	122	103.4 Å²	103.4	74%	0.739	55%	0.551	S	S	*	*			trans	-69.7	125.4	-177.4	-179.9	0	0	0	0	108.5	L341	V339-L341 PolarHBondContact O-N 3.09Å; V339-L341 VanDerWaalsContact O-N 3.17Å
340	A	53.4	Low	57.1	Low	71 Å²	71	95.5 Å²	95.5	59%	0.587	52%	0.521	S	S	*	.			trans	-65.5	112.6	173.3	0	0	0	0	0	109.2	P338	P338-A340 PolarHBondContact O-N 2.94Å
341	L	54.2	Low	59.2	Low	58 Å²	58	88.5 Å²	88.5	30%	0.304	49%	0.493	S	S	.	.			trans	-71.3	156.3	174.8	-47.3	164.8	0	0	0	110.3	V339 E345 Y346	V339-L341 PolarHBondContact O-N 3.09Å; V339-L341 VanDerWaalsContact O-N 3.17Å; L341-E345 HydrophobicContact CB-CB 3.86Å; L341-E345 WeakPolarHBondContact CB-OE2 3.47Å; L341-Y346 HydrophobicContact CB-CD2 3.89Å; L341-Y346 HydrophobicContact CB-CE1 4.08Å; L341-Y346 HydrophobicContact CB-CE2 3.25Å; L341-Y346 WeakPolarHBondContact CB-OH 3.28Å; L341-Y346 HydrophobicContact CD1-CD1 4.05Å; L341-Y346 HydrophobicContact CD1-CE1 3.25Å; L341-Y346 HydrophobicContact CD1-CE2 4.11Å; L341-Y346 VanDerWaalsContact CD1-OH 3.29Å; L341-Y346 WeakPolarHBondContact CD1-OH 3.4Å; L341-Y346 HydrophobicContact CG-CE1 3.93Å; L341-Y346 HydrophobicContact CG-CE2 3.9Å; L341-Y346 WeakPolarHBondContact CG-OH 3.28Å; L341-Y346 PolarHBondContact N-OH 2.05Å; L341-Y346 WeakPolarHBondContact O-CE2 3.36Å
342	S	57.2	Low	61	Low	43 Å²	43	83 Å²	83	30%	0.301	46%	0.457	S	S	.	.			trans	-65.1	153.5	178.8	66.4	0	0	0	0	111.4	S344 E345	S342-S344 PolarHBondContact O-N 3.3Å; S342-S344 PolarHBondContact OG-OG 3.19Å; S342-E345 WeakPolarHBondContact CB-OE2 3.47Å; S342-E345 PolarHBondContact N-OE2 2.9Å; S342-E345 WeakPolarHBondContact O-CB 3.43Å; S342-E345 PolarHBondContact O-N 3.37Å; S342-E345 VanDerWaalsContact OG-CG 3.29Å; S342-E345 WeakPolarHBondContact OG-CG 3.06Å; S342-E345 PolarHBondContact OG-OE2 2.92Å
343	P	53.4	Low	62.7	Low	78 Å²	78	82 Å²	82	51%	0.506	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.8	178	-27	35	0	0	0	114.8	E345 N409	P343-E345 VanDerWaalsContact C-N 3.34Å; P343-N409 HydrophobicContact CG-CB 4.49Å
344	S	57	Low	64	Low	98 Å²	98	78.2 Å²	78.2	69%	0.685	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.6	175.3	40.4	0	0	0	0	114.3	S342	S342-S344 PolarHBondContact O-N 3.3Å; S342-S344 PolarHBondContact OG-OG 3.19Å
345	E	61.2	Low	65.7	Low	116 Å²	116	73.1 Å²	73.1	54%	0.542	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-22.1	-176.3	-72.6	168.7	128.3	0	0	112.6	L341 S342 P343	L341-E345 HydrophobicContact CB-CB 3.86Å; L341-E345 WeakPolarHBondContact CB-OE2 3.47Å; S342-E345 WeakPolarHBondContact CB-OE2 3.47Å; S342-E345 PolarHBondContact N-OE2 2.9Å; S342-E345 WeakPolarHBondContact O-CB 3.43Å; S342-E345 PolarHBondContact O-N 3.37Å; S342-E345 VanDerWaalsContact OG-CG 3.29Å; S342-E345 WeakPolarHBondContact OG-CG 3.06Å; S342-E345 PolarHBondContact OG-OE2 2.92Å; P343-E345 VanDerWaalsContact C-N 3.34Å
346	Y	69.2	Low	67.5	Low	23 Å²	23	73.6 Å²	73.6	9%	0.09	41%	0.41	C	S	.	.			trans	-99.3	115.5	179.3	-66.6	-63.2	0	0	0	112	L341 F485	L341-Y346 HydrophobicContact CB-CD2 3.89Å; L341-Y346 HydrophobicContact CB-CE1 4.08Å; L341-Y346 HydrophobicContact CB-CE2 3.25Å; L341-Y346 WeakPolarHBondContact CB-OH 3.28Å; L341-Y346 HydrophobicContact CD1-CD1 4.05Å; L341-Y346 HydrophobicContact CD1-CE1 3.25Å; L341-Y346 HydrophobicContact CD1-CE2 4.11Å; L341-Y346 VanDerWaalsContact CD1-OH 3.29Å; L341-Y346 WeakPolarHBondContact CD1-OH 3.4Å; L341-Y346 HydrophobicContact CG-CE1 3.93Å; L341-Y346 HydrophobicContact CG-CE2 3.9Å; L341-Y346 WeakPolarHBondContact CG-OH 3.28Å; L341-Y346 PolarHBondContact N-OH 2.05Å; L341-Y346 WeakPolarHBondContact O-CE2 3.36Å; Y346-F485 HydrophobicContact CD2-CB 4.28Å; Y346-F485 HydrophobicContact CE2-CB 4.38Å; Y346-F485 HydrophobicContact CG-CB 4.33Å
347	K	81.9	Confident	69.4	Low	128 Å²	128	65.9 Å²	65.9	56%	0.557	37%	0.374	S	S	*	.			trans	-107.5	142.8	175.3	-63.2	174.4	-177.6	174.3	0	109.3	V350	K347-V350 HydrophobicContact CB-CG2 3.89Å
348	C	92.8	Very high	70.5	Confident	39 Å²	39	61.9 Å²	61.9	26%	0.264	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	156.4	171	65	0	0	0	0	111.2	V350 P491 C493 R579	C348-V350 PolarHBondContact O-N 3.09Å; C348-V350 VanDerWaalsContact O-N 3.15Å; C348-P491 CarbonylContact C-O 3.56Å; C348-P491 WeakPolarHBondContact CA-O 3.5Å; C348-P491 HydrophobicContact CB-CG 4.25Å; C348-C493 HydrophobicContact CB-CB 3.97Å; C348-C493 WeakPolarHBondContact CB-SG 3.49Å; C348-C493 PolarHBondContact O-SG 2.6Å; C348-C493 WeakPolarHBondContact SG-CA 3.38Å; C348-C493 WeakPolarHBondContact SG-CB 3.48Å; C348-C493 CovalentContact SG-SG 2.05Å; C348-C493 PolarHBondContact SG-SG 3.17Å; C348-R579 WeakPolarHBondContact O-CD 3.26Å
349	G	92.8	Very high	71.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	17.3	171.4	0	0	0	0	0	114.4	P491 W580	G349-P491 PolarHBondContact N-O 3.39Å; G349-W580 VanDerWaalsContact CA-O 3.26Å; G349-W580 WeakPolarHBondContact CA-O 3.09Å; G349-W580 VanDerWaalsContact O-CD1 3.32Å; G349-W580 PolarHBondContact O-N 2.81Å
350	V	90.8	Very high	71.6	Confident	44 Å²	44	62.4 Å²	62.4	27%	0.267	36%	0.363	S	S	.	.			trans	-109.9	113.9	179.8	-179.6	0	0	0	0	110.1	K347 C348 R490 R579	K347-V350 HydrophobicContact CB-CG2 3.89Å; C348-V350 PolarHBondContact O-N 3.09Å; C348-V350 VanDerWaalsContact O-N 3.15Å; V350-R490 WeakPolarHBondContact O-CD 3.38Å; V350-R490 PolarHBondContact O-NH1 3.2Å; V350-R579 HydrophobicContact CG2-CG 4.27Å
351	P	85.5	Confident	71.4	Confident	27 Å²	27	61 Å²	61	18%	0.175	35%	0.348	C	S	.	.			trans	-64.3	160.3	172.2	30	-35.3	0	0	0	110.8	I357 S377 R490	P351-I357 HydrophobicContact CB-CD1 3.91Å; P351-I357 HydrophobicContact CB-CG1 3.96Å; P351-I357 HydrophobicContact CG-CD1 3.98Å; P351-I357 HydrophobicContact CG-CG1 4.23Å; P351-S377 WeakPolarHBondContact CB-O 3.46Å; P351-R490 PolarHBondContact O-NH1 2.8Å; P351-R490 VanDerWaalsContact O-NH1 3.11Å
352	S	78.9	Confident	70.9	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.014	38%	0.379	C	S	.	.			trans	-62.2	138.5	173.5	167.2	0	0	0	0	111	E354 Y355 E487	S352-E354 PolarHBondContact O-N 2.82Å; S352-E354 WeakPolarHBondContact OG-CB 3.03Å; S352-E354 PolarHBondContact OG-N 3.04Å; S352-Y355 CarbonylContact O-C 3.54Å; S352-Y355 PolarHBondContact O-N 3.37Å; S352-Y355 WeakPolarHBondContact OG-CD2 3.32Å; S352-Y355 PolarHBondContact OG-N 2.97Å; S352-E487 VanDerWaalsContact CB-O 3.32Å; S352-E487 WeakPolarHBondContact CB-O 3.22Å; S352-E487 WeakPolarHBondContact CB-OE2 3.41Å; S352-E487 PolarHBondContact OG-OE2 3.43Å
353	P	70.3	Confident	70.1	Confident	111 Å²	111	64.7 Å²	64.7	72%	0.721	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28	168.3	-23.4	34.2	0	0	0	113.3	Y355	P353-Y355 VanDerWaalsContact C-N 3.34Å
354	E	70.1	Confident	69.2	Low	119 Å²	119	66.3 Å²	66.3	56%	0.556	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-25.1	175.1	-59.1	-166	170	0	0	112.5	S352	S352-E354 PolarHBondContact O-N 2.82Å; S352-E354 WeakPolarHBondContact OG-CB 3.03Å; S352-E354 PolarHBondContact OG-N 3.04Å
355	Y	79.2	Confident	68.3	Low	22 Å²	22	63 Å²	63	9%	0.086	35%	0.352	C	S	.	.	S	Bend	trans	-128	72.8	-175.9	-47.8	-66.9	0	0	0	111.2	S352 P353 K375 H376 S377 E487 I488 E631	S352-Y355 CarbonylContact O-C 3.54Å; S352-Y355 PolarHBondContact O-N 3.37Å; S352-Y355 WeakPolarHBondContact OG-CD2 3.32Å; S352-Y355 PolarHBondContact OG-N 2.97Å; P353-Y355 VanDerWaalsContact C-N 3.34Å; Y355-K375 WeakPolarHBondContact CB-O 3.32Å; Y355-K375 WeakPolarHBondContact CD1-O 3.06Å; Y355-K375 VanDerWaalsContact CG-O 3.24Å; Y355-H376 HydrophobicContact CD1-CB 4.32Å; Y355-H376 HydrophobicContact CD2-CB 3.69Å; Y355-H376 HydrophobicContact CE2-CB 3.99Å; Y355-H376 HydrophobicContact CG-CB 3.89Å; Y355-S377 VanDerWaalsContact O-CA 3.25Å; Y355-S377 WeakPolarHBondContact O-CA 3.1Å; Y355-S377 WeakPolarHBondContact O-CB 3.34Å; Y355-E487 HydrophobicContact CD2-CB 4.48Å; Y355-E487 HydrophobicContact CE2-CB 4.04Å; Y355-I488 HydrophobicContact CE2-CG2 3.92Å; Y355-E631 PolarHBondContact OH-OE2 2.94Å
356	P	80.1	Confident	67.7	Low	50 Å²	50	59.2 Å²	59.2	33%	0.325	33%	0.333	S	S	.	.			trans	-67.2	147.1	-178.8	28.7	-35.4	0	0	0	112	L358	P356-L358 HydrophobicContact CG-CD2 4.48Å; P356-L358 PolarHBondContact O-N 2.87Å
357	I	82.1	Confident	66.7	Low	23 Å²	23	58.3 Å²	58.3	12%	0.118	33%	0.33	C	S	.	.			trans	-75.9	120.2	170	-65.8	164.8	0	0	0	109	P351 L359 S377 L378 W380 L508 M528 W580	P351-I357 HydrophobicContact CB-CD1 3.91Å; P351-I357 HydrophobicContact CB-CG1 3.96Å; P351-I357 HydrophobicContact CG-CD1 3.98Å; P351-I357 HydrophobicContact CG-CG1 4.23Å; I357-L359 HydrophobicContact CG2-CD2 3.92Å; I357-S377 WeakPolarHBondContact CG1-O 3.36Å; I357-L378 HydrophobicContact CD1-CD2 3.55Å; I357-L378 HydrophobicContact CG1-CD2 3.85Å; I357-W380 HydrophobicContact CD1-CH2 4.01Å; I357-W380 HydrophobicContact CD1-CZ2 4.03Å; I357-L508 HydrophobicContact CG2-CD1 3.7Å; I357-M528 HydrophobicContact CG2-CE 3.98Å; I357-W580 HydrophobicContact CD1-CD2 4.34Å; I357-W580 HydrophobicContact CD1-CG 4.39Å; I357-W580 HydrophobicContact CD1-CZ2 4.14Å; I357-W580 VanDerWaalsContact CD1-NE1 3.29Å; I357-W580 HydrophobicContact CG2-CZ2 4.11Å
358	L	70.9	Confident	65.3	Low	71 Å²	71	52.9 Å²	52.9	37%	0.372	31%	0.307	S	S	.	.			trans	-98.3	113.5	175.5	-58.4	-176.5	0	0	0	110.1	P356 S360 W371 E374	P356-L358 HydrophobicContact CG-CD2 4.48Å; P356-L358 PolarHBondContact O-N 2.87Å; L358-S360 PolarHBondContact O-N 3.31Å; L358-W371 PolarHBondContact O-NE1 2.93Å; L358-E374 HydrophobicContact CB-CG 4.42Å; L358-E374 HydrophobicContact CD1-CG 3.52Å; L358-E374 VanDerWaalsContact CD1-OE1 3.32Å; L358-E374 WeakPolarHBondContact CD1-OE1 3.36Å; L358-E374 HydrophobicContact CG-CG 3.74Å
359	L	66.8	Low	63.7	Low	90 Å²	90	54.1 Å²	54.1	47%	0.471	31%	0.311	S	S	.	.	S	Bend	trans	-78.8	-2.1	-177.5	-60.5	178.9	0	0	0	114.1	I357 W371 L508 W580	I357-L359 HydrophobicContact CG2-CD2 3.92Å; L359-W371 WeakPolarHBondContact O-CH2 2.99Å; L359-W371 WeakPolarHBondContact O-CZ2 3.21Å; L359-L508 HydrophobicContact CD2-CD1 3.78Å; L359-L508 HydrophobicContact CD2-CD2 3.82Å; L359-L508 HydrophobicContact CD2-CG 4.07Å; L359-W580 HydrophobicContact CD2-CH2 3.77Å; L359-W580 HydrophobicContact CD2-CZ2 4.08Å
360	S	56.1	Low	62.1	Low	98 Å²	98	54.1 Å²	54.1	69%	0.685	31%	0.311	S	S	*	.			trans	-165.8	86.2	176.3	-176.3	0	0	0	0	110.4	L358	L358-S360 PolarHBondContact O-N 3.31Å
361	P	48.9	Very low	61.1	Low	40 Å²	40	52.5 Å²	52.5	26%	0.26	30%	0.3	S	S	.	.			trans	-74.5	134.8	160.6	18.4	-7.8	0	0	0	107.1	G363 W371	P361-G363 PolarHBondContact O-N 2.87Å; P361-W371 VanDerWaalsContact CD-CG 3.47Å; P361-W371 HydrophobicContact CG-CB 3.68Å; P361-W371 HydrophobicContact CG-CD2 4.03Å; P361-W371 HydrophobicContact CG-CG 3.33Å
362	T	43.2	Very low	60.6	Low	158 Å²	158	54.2 Å²	54.2	97%	0.969	31%	0.306	S	S	*	.	S	Bend	trans	-62.1	25.1	176.5	43.9	0	0	0	0	114.3
363	G	40.4	Very low	60.6	Low	21 Å²	21	54.2 Å²	54.2	22%	0.216	31%	0.306	C	S	.	.	S	Bend	trans	-130.7	114.6	173.4	0	0	0	0	0	111.5	R41 P361	R41-G363 VanDerWaalsContact CZ-C 3.44Å; R41-G363 PolarHBondContact NH1-O 2.68Å; R41-G363 PolarHBondContact NH2-O 2.98Å; R41-G363 VanDerWaalsContact NH2-O 3.1Å; P361-G363 PolarHBondContact O-N 2.87Å
364	M	33.9	Very low	61	Low	113 Å²	113	53.4 Å²	53.4	56%	0.557	29%	0.293	S	S	*	.			trans	-89.6	105.2	-176.1	-65.1	177	-77.3	0	0	113.2	R41	R41-M364 WeakPolarHBondContact CG-O 3.19Å
365	N	39.4	Very low	61.4	Low	29 Å²	29	49.3 Å²	49.3	16%	0.155	27%	0.273	C	S	.	.			trans	161.7	140.8	143.1	-71.9	-12.1	0	0	0	108.3	R41 G370	R41-N365 WeakPolarHBondContact CA-ND2 3.44Å; R41-N365 HydrophobicContact CG-CB 3.84Å; R41-N365 VanDerWaalsContact CZ-O 3.26Å; R41-N365 PolarHBondContact N-ND2 3.28Å; R41-N365 VanDerWaalsContact N-ND2 3.19Å; R41-N365 VanDerWaalsContact NE-N 3.1Å; R41-N365 PolarHBondContact NE-O 2.79Å; R41-N365 PolarHBondContact NH2-O 2.78Å; N365-G370 CarbonylContact C-O 3.53Å; N365-G370 WeakPolarHBondContact CA-O 3.47Å; N365-G370 PolarHBondContact N-O 2.89Å
366	R	49.1	Very low	61.8	Low	35 Å²	35	48.7 Å²	48.7	13%	0.132	27%	0.271	C	S	.	.	S	Bend	trans	152.1	8.9	137.8	-71.7	-174.9	-122.2	165.9	5.6	117.2	N40 G370 T515 E523 E525 K527	N40-R366 VanDerWaalsContact CG-CZ 3.42Å; N40-R366 PolarHBondContact ND2-NH2 3.07Å; N40-R366 PolarHBondContact OD1-NE 2.82Å; N40-R366 PolarHBondContact OD1-NH2 3.26Å; R366-G370 VanDerWaalsContact N-C 3.31Å; R366-G370 PolarHBondContact N-O 3.19Å; R366-T515 VanDerWaalsContact CA-CG2 3.49Å; R366-T515 HydrophobicContact CB-CG2 3.71Å; R366-T515 HydrophobicContact CG-CG2 3.89Å; R366-T515 WeakPolarHBondContact O-CG2 3.47Å; R366-E523 WeakPolarHBondContact CD-OE2 3.32Å; R366-E525 IonicContact NH1-OE2 3.88Å; R366-K527 VanDerWaalsContact C-CB 3.48Å; R366-K527 HydrophobicContact CB-CB 4.41Å; R366-K527 HydrophobicContact CB-CD 3.58Å; R366-K527 HydrophobicContact CB-CG 3.81Å; R366-K527 VanDerWaalsContact NH1-NZ 3.17Å; R366-K527 WeakPolarHBondContact O-CB 3.25Å; R366-K527 WeakPolarHBondContact O-CG 3.42Å
367	I	48.4	Very low	62.2	Low	4 Å²	4	46.3 Å²	46.3	2%	0.021	26%	0.256	C	S	.	.	S	Bend	trans	-98.2	178.1	130.6	-74.1	-161.8	0	0	0	105.6	N369 G370 K527 T529 G562	I367-N369 PolarHBondContact O-N 2.67Å; I367-G370 PolarHBondContact O-N 3.1Å; I367-K527 HydrophobicContact CD1-CB 4.38Å; I367-K527 WeakPolarHBondContact CD1-O 3.29Å; I367-K527 HydrophobicContact CG1-CB 3.52Å; I367-T529 HydrophobicContact CB-CG2 4.1Å; I367-T529 HydrophobicContact CG2-CG2 3.43Å; I367-T529 VanDerWaalsContact CG2-CG2 3.43Å; I367-G562 WeakPolarHBondContact CG2-O 3.45Å
368	V	50.8	Low	62.7	Low	14 Å²	14	45.5 Å²	45.5	9%	0.085	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-52.8	113.1	175.1	-154.3	0	0	0	0	107.1	G370 R560 R561 C564 C593 A594	V368-G370 VanDerWaalsContact C-N 3.25Å; V368-G370 PolarHBondContact O-N 2.94Å; V368-G370 VanDerWaalsContact O-N 3.08Å; V368-R560 CarbonylContact C-O 3.26Å; V368-R560 VanDerWaalsContact C-O 3.26Å; V368-R560 VanDerWaalsContact CB-O 3.27Å; V368-R560 WeakPolarHBondContact CB-O 3.09Å; V368-R560 HydrophobicContact CG1-CB 4.44Å; V368-R560 WeakPolarHBondContact CG1-O 3.34Å; V368-R561 VanDerWaalsContact O-CA 3.25Å; V368-R561 WeakPolarHBondContact O-CA 3.38Å; V368-C564 HydrophobicContact CG2-CB 4.32Å; V368-C593 HydrophobicContact CG2-CB 3.77Å; V368-A594 HydrophobicContact CB-CB 3.62Å; V368-A594 HydrophobicContact CG1-CB 3.69Å; V368-A594 HydrophobicContact CG2-CB 3.92Å
369	N	60	Low	63.8	Low	66 Å²	66	42.3 Å²	42.3	35%	0.353	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	32.8	-168	-65.4	-10.7	0	0	0	118.1	I367 S559 R561	I367-N369 PolarHBondContact O-N 2.67Å; N369-S559 WeakPolarHBondContact CB-O 3.33Å; N369-S559 PolarHBondContact ND2-O 3.16Å; N369-R561 HydrophobicContact CB-CG 3.78Å; N369-R561 PolarHBondContact O-NE 3.04Å
370	G	59.8	Low	65.2	Low	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.			trans	-94.5	-155.3	175.9	0	0	0	0	0	115.2	N365 R366 I367 V368 M528 T529	N365-G370 CarbonylContact C-O 3.53Å; N365-G370 WeakPolarHBondContact CA-O 3.47Å; N365-G370 PolarHBondContact N-O 2.89Å; R366-G370 VanDerWaalsContact N-C 3.31Å; R366-G370 PolarHBondContact N-O 3.19Å; I367-G370 PolarHBondContact O-N 3.1Å; V368-G370 VanDerWaalsContact C-N 3.25Å; V368-G370 PolarHBondContact O-N 2.94Å; V368-G370 VanDerWaalsContact O-N 3.08Å; G370-M528 CarbonylContact C-O 3.59Å; G370-M528 WeakPolarHBondContact CA-O 3.43Å; G370-T529 WeakPolarHBondContact CA-OG1 3.34Å
371	W	68.6	Low	67.2	Low	10 Å²	10	33.5 Å²	33.5	4%	0.038	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	169.8	175.7	55.2	95.4	0	0	0	111.9	L358 L359 P361 K527 M528 T530	L358-W371 PolarHBondContact O-NE1 2.93Å; L359-W371 WeakPolarHBondContact O-CH2 2.99Å; L359-W371 WeakPolarHBondContact O-CZ2 3.21Å; P361-W371 VanDerWaalsContact CD-CG 3.47Å; P361-W371 HydrophobicContact CG-CB 3.68Å; P361-W371 HydrophobicContact CG-CD2 4.03Å; P361-W371 HydrophobicContact CG-CG 3.33Å; W371-K527 CarbonylContact O-C 3.58Å; W371-K527 WeakPolarHBondContact O-CA 3.46Å; W371-M528 HydrophobicContact CD2-CG 4.39Å; W371-M528 HydrophobicContact CG-CG 4.29Å; W371-M528 HydrophobicContact CZ2-CE 3.85Å; W371-M528 HydrophobicContact CZ2-CG 4.48Å; W371-M528 PolarHBondContact N-O 3.41Å; W371-M528 PolarHBondContact NE1-SD 3.19Å; W371-M528 VanDerWaalsContact NE1-SD 3.4Å; W371-M528 PolarHBondContact O-N 2.86Å; W371-M528 VanDerWaalsContact O-O 3.11Å; W371-T530 HydrophobicContact CH2-CG2 3.71Å; W371-T530 HydrophobicContact CZ2-CG2 4.4Å
372	E	74.9	Confident	69.5	Low	63 Å²	63	31.6 Å²	31.6	29%	0.294	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.2	170.8	-171.8	175.3	149.7	0	0	110.1	H442 E525 K527	E372-H442 IonicContact OE1-CD2 3.55Å; E372-H442 IonicContact OE1-CE1 3.13Å; E372-H442 IonicContact OE1-NE2 3.78Å; E372-H442 PolarHBondContact OE1-NE2 3.31Å; E372-E525 HydrophobicContact CG-CB 3.97Å; E372-K527 HydrophobicContact CB-CD 3.86Å; E372-K527 HydrophobicContact CG-CD 4.06Å; E372-K527 IonicContact OE2-NZ 2.74Å; E372-K527 PolarHBondContact OE2-NZ 2.86Å
373	A	79.1	Confident	72	Confident	2 Å²	2	24.3 Å²	24.3	2%	0.017	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-62.2	147.9	173.5	0	0	0	0	0	109.5	K375 L378 H442 L526 M528	A373-K375 PolarHBondContact O-N 3.06Å; A373-L378 HydrophobicContact CB-CD1 4.13Å; A373-H442 PolarHBondContact O-CE1 2.79Å; A373-L526 HydrophobicContact CB-CD2 4.18Å; A373-L526 HydrophobicContact CB-CG 4.15Å; A373-L526 PolarHBondContact N-O 2.86Å; A373-M528 HydrophobicContact CB-CG 4.06Å; A373-M528 HydrophobicContact CB-SD 3.86Å
374	E	79.7	Confident	74.7	Confident	94 Å²	94	23.5 Å²	23.5	44%	0.439	11%	0.114	S	C	.	.	P	Polyproline II helix	trans	-58.7	140.1	165.6	-79.3	-64.8	160.5	0	0	108.3	L358 H376 S377	L358-E374 HydrophobicContact CB-CG 4.42Å; L358-E374 HydrophobicContact CD1-CG 3.52Å; L358-E374 VanDerWaalsContact CD1-OE1 3.32Å; L358-E374 WeakPolarHBondContact CD1-OE1 3.36Å; L358-E374 HydrophobicContact CG-CG 3.74Å; E374-H376 PolarHBondContact O-N 3.1Å; E374-H376 VanDerWaalsContact O-N 3.16Å; E374-S377 PolarHBondContact N-OG 3.1Å; E374-S377 WeakPolarHBondContact O-CB 3.22Å; E374-S377 PolarHBondContact O-N 2.9Å; E374-S377 PolarHBondContact O-OG 3.26Å
375	K	78.8	Confident	77.5	Confident	33 Å²	33	19.5 Å²	19.5	14%	0.143	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	125	-174.6	-169.7	-172.9	179.4	-171.5	0	109.4	Y355 A373 S377 H442 E631 Y632 E637	Y355-K375 WeakPolarHBondContact CB-O 3.32Å; Y355-K375 WeakPolarHBondContact CD1-O 3.06Å; Y355-K375 VanDerWaalsContact CG-O 3.24Å; A373-K375 PolarHBondContact O-N 3.06Å; K375-S377 PolarHBondContact O-N 2.87Å; K375-S377 VanDerWaalsContact O-N 3.15Å; K375-H442 HydrophobicContact CG-CB 3.86Å; K375-E631 VanDerWaalsContact CD-OE1 3.28Å; K375-E631 WeakPolarHBondContact CD-OE1 3.5Å; K375-E631 WeakPolarHBondContact CE-OE1 3.23Å; K375-E631 IonicContact NZ-OE1 2.87Å; K375-E631 PolarHBondContact NZ-OE1 2.96Å; K375-Y632 PolarHBondContact NZ-O 3.47Å; K375-E637 IonicContact NZ-OE1 2.68Å; K375-E637 PolarHBondContact NZ-OE1 2.81Å; K375-E637 IonicContact NZ-OE2 3.38Å; K375-E637 PolarHBondContact NZ-OE2 2.89Å
376	H	85.8	Confident	80	Confident	9 Å²	9	18.5 Å²	18.5	4%	0.042	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	11.1	-178.3	-52.4	-54.9	0	0	0	116.8	Y355 E374 L378 G440 I488 E631	Y355-H376 HydrophobicContact CD1-CB 4.32Å; Y355-H376 HydrophobicContact CD2-CB 3.69Å; Y355-H376 HydrophobicContact CE2-CB 3.99Å; Y355-H376 HydrophobicContact CG-CB 3.89Å; E374-H376 PolarHBondContact O-N 3.1Å; E374-H376 VanDerWaalsContact O-N 3.16Å; H376-L378 PolarHBondContact O-N 2.91Å; H376-G440 PolarHBondContact CE1-O 3.03Å; H376-G440 PolarHBondContact ND1-O 3.22Å; H376-I488 HydrophobicContact CB-CB 4.04Å; H376-I488 HydrophobicContact CB-CG2 3.63Å; H376-E631 IonicContact CD2-OE1 3.81Å; H376-E631 IonicContact NE2-OE1 3.57Å
377	S	89.1	Confident	81.7	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-67.1	-18	178.6	61	0	0	0	0	114.8	P351 Y355 I357 E374 K375 P379	P351-S377 WeakPolarHBondContact CB-O 3.46Å; Y355-S377 VanDerWaalsContact O-CA 3.25Å; Y355-S377 WeakPolarHBondContact O-CA 3.1Å; Y355-S377 WeakPolarHBondContact O-CB 3.34Å; I357-S377 WeakPolarHBondContact CG1-O 3.36Å; E374-S377 PolarHBondContact N-OG 3.1Å; E374-S377 WeakPolarHBondContact O-CB 3.22Å; E374-S377 PolarHBondContact O-N 2.9Å; E374-S377 PolarHBondContact O-OG 3.26Å; K375-S377 PolarHBondContact O-N 2.87Å; K375-S377 VanDerWaalsContact O-N 3.15Å; S377-P379 VanDerWaalsContact C-CD 3.44Å; S377-P379 VanDerWaalsContact O-CD 3.26Å; S377-P379 WeakPolarHBondContact O-CD 3.38Å
378	L	93.3	Very high	83.1	Confident	6 Å²	6	19.9 Å²	19.9	3%	0.031	10%	0.102	C	C	.	.			trans	-117.6	73	177.6	-59.6	172.1	0	0	0	109.7	I357 A373 H376 W380 M381 A510 L526 M528 I573	I357-L378 HydrophobicContact CD1-CD2 3.55Å; I357-L378 HydrophobicContact CG1-CD2 3.85Å; A373-L378 HydrophobicContact CB-CD1 4.13Å; H376-L378 PolarHBondContact O-N 2.91Å; L378-W380 HydrophobicContact CD2-CZ2 3.62Å; L378-W380 PolarHBondContact O-N 3.46Å; L378-M381 HydrophobicContact CB-CG 3.65Å; L378-M381 HydrophobicContact CD1-CG 4.35Å; L378-M381 WeakPolarHBondContact O-CB 3.36Å; L378-M381 PolarHBondContact O-N 3.3Å; L378-A510 HydrophobicContact CD1-CB 3.38Å; L378-L526 HydrophobicContact CB-CD2 4.14Å; L378-L526 HydrophobicContact CD1-CD2 4.14Å; L378-M528 HydrophobicContact CD1-CB 4.33Å; L378-M528 HydrophobicContact CD1-SD 4.39Å; L378-I573 HydrophobicContact CD2-CD1 3.97Å
379	P	93.6	Very high	84.1	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.019	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.3	-168.6	30.9	-39.5	0	0	0	114.4	S377 I488 T489 R490	S377-P379 VanDerWaalsContact C-CD 3.44Å; S377-P379 VanDerWaalsContact O-CD 3.26Å; S377-P379 WeakPolarHBondContact O-CD 3.38Å; P379-I488 WeakPolarHBondContact CA-O 3.29Å; P379-T489 WeakPolarHBondContact O-CA 3.33Å; P379-R490 CarbonylContact C-O 3.54Å; P379-R490 HydrophobicContact CB-CB 4.05Å; P379-R490 HydrophobicContact CB-CG 4.25Å; P379-R490 HydrophobicContact CG-CB 3.83Å; P379-R490 HydrophobicContact CG-CG 4.2Å; P379-R490 PolarHBondContact O-N 3.32Å
380	W	96.8	Very high	84.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-15.3	173.7	41.9	80.4	0	0	0	113.3	I357 L378 V382 S401 L402 R490 V492 I573 W580	I357-W380 HydrophobicContact CD1-CH2 4.01Å; I357-W380 HydrophobicContact CD1-CZ2 4.03Å; L378-W380 HydrophobicContact CD2-CZ2 3.62Å; L378-W380 PolarHBondContact O-N 3.46Å; W380-V382 PolarHBondContact O-N 2.97Å; W380-S401 CarbonylContact O-C 3.5Å; W380-S401 VanDerWaalsContact O-CA 3.27Å; W380-S401 WeakPolarHBondContact O-CA 3.29Å; W380-L402 HydrophobicContact CB-CB 4.47Å; W380-L402 PolarHBondContact O-N 2.98Å; W380-R490 WeakPolarHBondContact CA-O 3.46Å; W380-R490 WeakPolarHBondContact CB-O 3.35Å; W380-R490 PolarHBondContact N-O 3.23Å; W380-V492 HydrophobicContact CB-CB 3.97Å; W380-V492 HydrophobicContact CB-CG1 4.46Å; W380-V492 HydrophobicContact CD2-CB 3.9Å; W380-V492 HydrophobicContact CD2-CG2 4.35Å; W380-V492 HydrophobicContact CE3-CB 4.3Å; W380-V492 HydrophobicContact CG-CB 3.74Å; W380-I573 HydrophobicContact CZ2-CD1 3.59Å; W380-W580 HydrophobicContact CH2-CB 3.91Å; W380-W580 AromaticContact CH2-CD1 3.76Å; W380-W580 AromaticContact CH2-CG 3.95Å; W380-W580 HydrophobicContact CH2-CG 3.95Å; W380-W580 HydrophobicContact CZ2-CB 4.02Å; W380-W580 HydrophobicContact CZ2-CG 4.1Å
381	M	97.2	Very high	85.4	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.5	-176.4	-71.1	-59.8	-58.1	0	0	111.4	L378 A510 W512 L526 P571	L378-M381 HydrophobicContact CB-CG 3.65Å; L378-M381 HydrophobicContact CD1-CG 4.35Å; L378-M381 WeakPolarHBondContact O-CB 3.36Å; L378-M381 PolarHBondContact O-N 3.3Å; M381-A510 HydrophobicContact CE-CB 4.15Å; M381-A510 WeakPolarHBondContact CE-O 3.37Å; M381-A510 HydrophobicContact CG-CB 4.4Å; M381-A510 HydrophobicContact SD-CB 4Å; M381-W512 HydrophobicContact CB-CH2 4Å; M381-W512 HydrophobicContact CB-CZ3 4.38Å; M381-W512 HydrophobicContact CE-CZ3 4.24Å; M381-L526 HydrophobicContact CB-CD1 4.5Å; M381-L526 HydrophobicContact CB-CD2 4.1Å; M381-L526 HydrophobicContact CE-CD1 4.13Å; M381-L526 HydrophobicContact CG-CD1 4.33Å; M381-L526 HydrophobicContact CG-CD2 3.97Å; M381-P571 HydrophobicContact CE-CG 4.48Å; M381-P571 WeakPolarHBondContact SD-CD 3.23Å; M381-P571 HydrophobicContact SD-CG 3.45Å; M381-P571 WeakPolarHBondContact SD-CG 3.33Å
382	V	97.7	Very high	85.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150	172.4	-55	0	0	0	0	111.3	W380 L384 G399 G400 L402 V414 V437 F438 V439	W380-V382 PolarHBondContact O-N 2.97Å; V382-L384 HydrophobicContact CG2-CD1 3.68Å; V382-G399 CarbonylContact O-C 3.34Å; V382-G399 WeakPolarHBondContact O-CA 3.44Å; V382-G400 WeakPolarHBondContact CG2-O 3.29Å; V382-G400 PolarHBondContact N-O 3.1Å; V382-G400 VanDerWaalsContact N-O 3.1Å; V382-G400 PolarHBondContact O-N 3.13Å; V382-L402 HydrophobicContact CG1-CD1 4.46Å; V382-L402 HydrophobicContact CG1-CD2 3.99Å; V382-L402 HydrophobicContact CG1-CG 3.75Å; V382-V414 HydrophobicContact CG2-CG1 3.67Å; V382-V414 HydrophobicContact CG2-CG2 4.21Å; V382-V437 HydrophobicContact CB-CG1 3.77Å; V382-V437 HydrophobicContact CG1-CG1 4.17Å; V382-V437 HydrophobicContact CG2-CG1 4.01Å; V382-F438 VanDerWaalsContact CA-O 3.31Å; V382-F438 WeakPolarHBondContact CA-O 3.33Å; V382-F438 WeakPolarHBondContact CB-O 3.21Å; V382-V439 HydrophobicContact CG1-CB 4.48Å; V382-V439 HydrophobicContact CG1-CG1 3.81Å
383	L	95.9	Very high	85.4	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.6	172.6	176.1	71.3	0	0	0	109.1	V437 F438 I441 Q444 W512	L383-V437 CarbonylContact O-C 3.52Å; L383-V437 WeakPolarHBondContact O-CA 3.48Å; L383-F438 HydrophobicContact CB-CB 4.24Å; L383-F438 PolarHBondContact N-O 2.8Å; L383-F438 VanDerWaalsContact N-O 3.1Å; L383-F438 PolarHBondContact O-N 3.05Å; L383-I441 HydrophobicContact CB-CD1 3.86Å; L383-I441 HydrophobicContact CD2-CD1 4.03Å; L383-Q444 HydrophobicContact CD2-CB 3.66Å; L383-W512 HydrophobicContact CB-CE3 3.97Å; L383-W512 HydrophobicContact CB-CH2 4.4Å; L383-W512 HydrophobicContact CB-CZ3 3.86Å; L383-W512 HydrophobicContact CD1-CE3 4.04Å
384	L	96.7	Very high	85	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.3	173.5	-74.3	67.8	0	0	0	108.3	V382 S397 C398 V414 T416 S436 V437 L477	V382-L384 HydrophobicContact CG2-CD1 3.68Å; L384-S397 CarbonylContact O-C 3.54Å; L384-S397 VanDerWaalsContact O-CA 3.28Å; L384-S397 WeakPolarHBondContact O-CA 3.47Å; L384-C398 HydrophobicContact CB-CB 4.19Å; L384-C398 PolarHBondContact N-O 3.14Å; L384-C398 PolarHBondContact O-N 3.27Å; L384-V414 HydrophobicContact CD1-CG1 4.33Å; L384-T416 HydrophobicContact CD2-CG2 3.88Å; L384-S436 CarbonylContact C-O 3.54Å; L384-S436 WeakPolarHBondContact CA-O 3.43Å; L384-V437 HydrophobicContact CG-CG2 4.3Å; L384-L477 HydrophobicContact CD2-CD2 3.65Å; L384-L477 HydrophobicContact CG-CD2 4.38Å
385	N	92.8	Very high	85	Confident	30 Å²	30	45.3 Å²	45.3	16%	0.16	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.7	171.2	-78.9	-25.2	0	0	0	109.8	T395 S397 S436 F438	N385-T395 HydrophobicContact CB-CG2 3.72Å; N385-S397 WeakPolarHBondContact OD1-CB 3.15Å; N385-S397 PolarHBondContact OD1-OG 3.44Å; N385-S436 PolarHBondContact N-O 2.85Å; N385-S436 PolarHBondContact O-N 3.33Å; N385-F438 HydrophobicContact CB-CE2 4.08Å; N385-F438 WeakPolarHBondContact ND2-CE2 3.48Å
386	S	91.6	Very high	85.2	Confident	8 Å²	8	45 Å²	45	6%	0.056	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	157.7	177.9	50.7	0	0	0	0	110.3	T395 Q396 K430 D434	S386-T395 CarbonylContact O-C 3.36Å; S386-T395 WeakPolarHBondContact O-CA 3.34Å; S386-Q396 PolarHBondContact N-O 3Å; S386-Q396 PolarHBondContact O-N 3.44Å; S386-K430 WeakPolarHBondContact OG-CE 2.92Å; S386-K430 PolarHBondContact OG-NZ 3.06Å; S386-D434 WeakPolarHBondContact CA-O 3.4Å
387	P	84.4	Confident	85.4	Confident	43 Å²	43	45.4 Å²	45.4	28%	0.279	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	140.8	173.8	-22.1	32.6	0	0	0	111.6	K430 D434	P387-K430 WeakPolarHBondContact O-CE 3.26Å; P387-D434 VanDerWaalsContact CD-O 3.25Å; P387-D434 WeakPolarHBondContact CD-O 3.26Å; P387-D434 HydrophobicContact CG-CB 4.23Å
388	D	77.6	Confident	85.7	Confident	24 Å²	24	45.6 Å²	45.6	13%	0.128	23%	0.23	C	C	.	.			trans	-65.8	136.4	168.5	178.5	-83.6	0	0	0	109	Y390 N391 V394 K423	D388-Y390 PolarHBondContact O-N 2.9Å; D388-Y390 WeakPolarHBondContact OD1-CA 3.47Å; D388-Y390 WeakPolarHBondContact OD1-CB 3.21Å; D388-Y390 PolarHBondContact OD1-N 3.34Å; D388-N391 CarbonylContact O-C 3.58Å; D388-N391 PolarHBondContact O-N 3.46Å; D388-N391 PolarHBondContact OD1-N 3.44Å; D388-N391 VanDerWaalsContact OD1-N 3.1Å; D388-V394 HydrophobicContact CB-CB 4.01Å; D388-V394 HydrophobicContact CB-CG1 4.18Å; D388-V394 WeakPolarHBondContact CB-O 3.43Å; D388-V394 PolarHBondContact N-O 3Å; D388-K423 IonicContact OD2-NZ 2.84Å; D388-K423 PolarHBondContact OD2-NZ 2.71Å; D388-K423 VanDerWaalsContact OD2-NZ 3.13Å
389	P	72.1	Confident	85.8	Confident	42 Å²	42	45.4 Å²	45.4	27%	0.273	23%	0.229	S	C	.	.	S	Bend	trans	-62.6	-25.6	-175.3	22.4	-34	0	0	0	113.9	K423	P389-K423 HydrophobicContact CG-CB 4.27Å; P389-K423 HydrophobicContact CG-CD 3.87Å
390	Y	73.2	Confident	86.1	Confident	152 Å²	152	45.2 Å²	45.2	60%	0.596	23%	0.229	S	C	*	.	S	Bend	trans	-98.3	-26.8	-178.1	-54.2	-71.7	0	0	0	112.5	D388 K423 T424	D388-Y390 PolarHBondContact O-N 2.9Å; D388-Y390 WeakPolarHBondContact OD1-CA 3.47Å; D388-Y390 WeakPolarHBondContact OD1-CB 3.21Å; D388-Y390 PolarHBondContact OD1-N 3.34Å; Y390-K423 HydrophobicContact CE2-CD 4.01Å; Y390-T424 WeakPolarHBondContact OH-CG2 3.28Å; Y390-T424 PolarHBondContact OH-OG1 3.26Å
391	N	74.8	Confident	86.1	Confident	72 Å²	72	45.2 Å²	45.2	39%	0.385	23%	0.229	S	C	.	.			trans	-139	101.6	176.1	-172.9	-10.9	0	0	0	111.2	D388 H393 V394	D388-N391 CarbonylContact O-C 3.58Å; D388-N391 PolarHBondContact O-N 3.46Å; D388-N391 PolarHBondContact OD1-N 3.44Å; D388-N391 VanDerWaalsContact OD1-N 3.1Å; N391-H393 PolarHBondContact O-N 2.03Å; N391-H393 WeakPolarHBondContact OD1-CB 3.33Å; N391-H393 PolarHBondContact OD1-CD2 3.17Å; N391-H393 PolarHBondContact OD1-N 3.31Å; N391-V394 HydrophobicContact CB-CB 4.37Å; N391-V394 HydrophobicContact CB-CG2 4.02Å; N391-V394 PolarHBondContact O-N 3.36Å
392	K	73.8	Confident	86.2	Confident	180 Å²	180	45 Å²	45	78%	0.783	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.7	179.8	-63.3	-175.9	179.5	-176.6	0	114.5	V394	K392-V394 VanDerWaalsContact C-N 3.32Å
393	H	68.7	Low	86.2	Confident	181 Å²	181	45 Å²	45	84%	0.838	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-6.6	174.6	-56.7	-66.5	0	0	0	113.3	N391	N391-H393 PolarHBondContact O-N 2.03Å; N391-H393 WeakPolarHBondContact OD1-CB 3.33Å; N391-H393 PolarHBondContact OD1-CD2 3.17Å; N391-H393 PolarHBondContact OD1-N 3.31Å
394	V	71.8	Confident	86	Confident	70 Å²	70	46.8 Å²	46.8	42%	0.424	24%	0.235	S	C	.	.	S	Bend	trans	-104.8	132	175.2	178.7	0	0	0	0	108.1	D388 N391 K392	D388-V394 HydrophobicContact CB-CB 4.01Å; D388-V394 HydrophobicContact CB-CG1 4.18Å; D388-V394 WeakPolarHBondContact CB-O 3.43Å; D388-V394 PolarHBondContact N-O 3Å; N391-V394 HydrophobicContact CB-CB 4.37Å; N391-V394 HydrophobicContact CB-CG2 4.02Å; N391-V394 PolarHBondContact O-N 3.36Å; K392-V394 VanDerWaalsContact C-N 3.32Å
395	T	78.6	Confident	85.9	Confident	86 Å²	86	48.2 Å²	48.2	53%	0.528	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.3	173.1	-55.7	0	0	0	0	109.1	N385 S386	N385-T395 HydrophobicContact CB-CG2 3.72Å; S386-T395 CarbonylContact O-C 3.36Å; S386-T395 WeakPolarHBondContact O-CA 3.34Å
396	Q	84.4	Confident	85.6	Confident	28 Å²	28	51.5 Å²	51.5	13%	0.131	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.1	162.2	179.6	178.4	-13.9	0	0	108.9	S386	S386-Q396 PolarHBondContact N-O 3Å; S386-Q396 PolarHBondContact O-N 3.44Å
397	S	88.9	Confident	85.3	Confident	17 Å²	17	57.5 Å²	57.5	12%	0.119	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.8	174.6	-58.1	0	0	0	0	111.1	L384 N385 L522	L384-S397 CarbonylContact O-C 3.54Å; L384-S397 VanDerWaalsContact O-CA 3.28Å; L384-S397 WeakPolarHBondContact O-CA 3.47Å; N385-S397 WeakPolarHBondContact OD1-CB 3.15Å; N385-S397 PolarHBondContact OD1-OG 3.44Å; S397-L522 VanDerWaalsContact CB-CD1 3.46Å
398	C	95.2	Very high	85.4	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.027	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.6	172.5	-83.8	0	0	0	0	110	L384 C420 S568	L384-C398 HydrophobicContact CB-CB 4.19Å; L384-C398 PolarHBondContact N-O 3.14Å; L384-C398 PolarHBondContact O-N 3.27Å; C398-C420 HydrophobicContact CB-CB 3.74Å; C398-C420 WeakPolarHBondContact CB-SG 3.46Å; C398-C420 WeakPolarHBondContact SG-CB 3.3Å; C398-C420 CovalentContact SG-SG 2.04Å; C398-C420 PolarHBondContact SG-SG 2.89Å; C398-S568 CarbonylContact C-O 3.55Å; C398-S568 WeakPolarHBondContact CA-O 3.43Å; C398-S568 WeakPolarHBondContact CB-O 3.27Å
399	G	96.7	Very high	85.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	172	165	0	0	0	0	0	113	V382 T416 S568 G569	V382-G399 CarbonylContact O-C 3.34Å; V382-G399 WeakPolarHBondContact O-CA 3.44Å; G399-T416 PolarHBondContact O-OG1 2.96Å; G399-S568 PolarHBondContact N-O 3.19Å; G399-G569 VanDerWaalsContact C-C 3.45Å; G399-G569 CarbonylContact C-O 3.59Å; G399-G569 CarbonylContact O-C 3.55Å; G399-G569 WeakPolarHBondContact O-CA 3.39Å
400	G	98.3	Very high	86.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	179.9	169.4	0	0	0	0	0	110.1	V382 L415 G569	V382-G400 WeakPolarHBondContact CG2-O 3.29Å; V382-G400 PolarHBondContact N-O 3.1Å; V382-G400 VanDerWaalsContact N-O 3.1Å; V382-G400 PolarHBondContact O-N 3.13Å; G400-L415 CarbonylContact C-O 3.56Å; G400-L415 WeakPolarHBondContact CA-O 3.1Å; G400-G569 WeakPolarHBondContact CA-O 3.44Å
401	S	98.6	Very high	87.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.2	175	53.2	0	0	0	0	112.1	W380 I403 V414 L415 Q582	W380-S401 CarbonylContact O-C 3.5Å; W380-S401 VanDerWaalsContact O-CA 3.27Å; W380-S401 WeakPolarHBondContact O-CA 3.29Å; S401-I403 PolarHBondContact O-N 2.68Å; S401-V414 CarbonylContact O-C 3.58Å; S401-V414 VanDerWaalsContact O-CA 3.25Å; S401-V414 WeakPolarHBondContact O-CA 3.1Å; S401-L415 PolarHBondContact N-O 3.33Å; S401-L415 PolarHBondContact O-N 2.75Å; S401-Q582 VanDerWaalsContact CB-OE1 3.3Å; S401-Q582 PolarHBondContact OG-NE2 2.85Å; S401-Q582 PolarHBondContact OG-OE1 3.17Å
402	L	98.1	Very high	88.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	126.6	161	-65.5	174.2	0	0	0	108.2	W380 V382 T411 V414 V439 L479 V483 P491 V492	W380-L402 HydrophobicContact CB-CB 4.47Å; W380-L402 PolarHBondContact O-N 2.98Å; V382-L402 HydrophobicContact CG1-CD1 4.46Å; V382-L402 HydrophobicContact CG1-CD2 3.99Å; V382-L402 HydrophobicContact CG1-CG 3.75Å; L402-T411 HydrophobicContact CB-CG2 4.17Å; L402-T411 HydrophobicContact CD2-CG2 3.95Å; L402-V414 HydrophobicContact CD2-CG2 3.94Å; L402-V439 HydrophobicContact CD2-CG1 4.36Å; L402-L479 HydrophobicContact CD2-CD1 4.44Å; L402-V483 HydrophobicContact CD1-CG1 4.41Å; L402-P491 CarbonylContact O-C 3.51Å; L402-P491 WeakPolarHBondContact O-CA 3.19Å; L402-V492 PolarHBondContact O-N 3.01Å
403	I	97.7	Very high	90	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.			trans	-125.9	170.5	177.6	61.2	159.1	0	0	0	110.1	S401 T411 L413 L415 L476 V492 L494 I610	S401-I403 PolarHBondContact O-N 2.68Å; I403-T411 WeakPolarHBondContact O-CB 3.29Å; I403-T411 PolarHBondContact O-OG1 3.41Å; I403-L413 HydrophobicContact CD1-CB 4.25Å; I403-L413 HydrophobicContact CG1-CB 3.66Å; I403-L413 PolarHBondContact N-O 3.48Å; I403-L415 HydrophobicContact CD1-CB 4.06Å; I403-L415 HydrophobicContact CG1-CB 4.35Å; I403-L415 HydrophobicContact CG2-CB 3.91Å; I403-L476 HydrophobicContact CD1-CD1 3.77Å; I403-V492 HydrophobicContact CG2-CG1 4.03Å; I403-L494 HydrophobicContact CB-CD2 4.32Å; I403-L494 HydrophobicContact CB-CG 4.48Å; I403-L494 HydrophobicContact CD1-CD1 4.25Å; I403-L494 HydrophobicContact CG2-CD2 3.94Å; I403-I610 HydrophobicContact CD1-CG2 3.84Å
404	Q	92.9	Very high	91.4	Very high	40 Å²	40	34.9 Å²	34.9	19%	0.187	19%	0.194	C	C	.	.			trans	-150.3	127.1	178.3	-178.1	174.4	29.2	0	0	109.9	H406 G408 P491	Q404-H406 WeakPolarHBondContact CG-O 3.29Å; Q404-H406 PolarHBondContact NE2-O 3.33Å; Q404-G408 PolarHBondContact NE2-O 3.02Å; Q404-P491 HydrophobicContact CB-CB 3.87Å; Q404-P491 HydrophobicContact CB-CG 3.92Å
405	V	93.6	Very high	92.7	Very high	35 Å²	35	31.5 Å²	31.5	21%	0.212	17%	0.174	C	C	.	.	S	Bend	trans	-105.6	-13.8	176.2	-62.8	0	0	0	0	113.1	L413 L494 I610 V611 D614	V405-L413 HydrophobicContact CG1-CD1 4.35Å; V405-L413 HydrophobicContact CG2-CD1 3.82Å; V405-L494 HydrophobicContact CG1-CD1 3.95Å; V405-I610 HydrophobicContact CG1-CG2 3.87Å; V405-V611 HydrophobicContact CB-CG2 4.28Å; V405-V611 HydrophobicContact CG1-CG2 4.08Å; V405-D614 HydrophobicContact CG2-CB 4.08Å; V405-D614 WeakPolarHBondContact CG2-OD2 3.46Å
406	H	87.6	Confident	93.6	Very high	98 Å²	98	27.4 Å²	27.4	45%	0.454	15%	0.149	S	C	.	.	S	Bend	trans	-130.9	138.6	-179.6	-65.2	-37.4	0	0	0	110.7	Q404 D614	Q404-H406 WeakPolarHBondContact CG-O 3.29Å; Q404-H406 PolarHBondContact NE2-O 3.33Å; H406-D614 IonicContact CD2-OD2 2.86Å; H406-D614 PolarHBondContact CD2-OD2 3.24Å; H406-D614 IonicContact NE2-OD2 2.69Å
407	P	85	Confident	94.3	Very high	135 Å²	135	26.1 Å²	26.1	88%	0.877	14%	0.142	S	C	*	.			trans	-54.1	141.4	177	-25.3	33.9	0	0	0	112.6
408	G	85.6	Confident	94.7	Very high	23 Å²	23	25.3 Å²	25.3	24%	0.237	14%	0.137	C	C	.	.	S	Bend	trans	168.1	169.4	-175.4	0	0	0	0	0	112.1	Q404 F485	Q404-G408 PolarHBondContact NE2-O 3.02Å; G408-F485 VanDerWaalsContact O-CE2 3.25Å; G408-F485 WeakPolarHBondContact O-CE2 3.2Å
409	N	87.5	Confident	94.7	Very high	47 Å²	47	26.1 Å²	26.1	25%	0.251	14%	0.14	S	C	.	.	S	Bend	trans	-103.3	15.2	179.6	65.5	-5.7	0	0	0	113.1	P343 F485	P343-N409 HydrophobicContact CG-CB 4.49Å; N409-F485 VanDerWaalsContact C-CD2 3.4Å; N409-F485 WeakPolarHBondContact O-CG 3.46Å; N409-F485 PolarHBondContact O-N 3.25Å
410	R	91.1	Very high	94.6	Very high	115 Å²	115	26.2 Å²	26.2	43%	0.434	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	159.5	-178.9	57.8	-176.6	160.3	-112	8.8	110	A482 V483 F485 E623	R410-A482 HydrophobicContact CB-CB 4.31Å; R410-A482 HydrophobicContact CG-CB 4.18Å; R410-V483 CarbonylContact C-O 2.84Å; R410-V483 WeakPolarHBondContact CA-O 3.15Å; R410-V483 WeakPolarHBondContact CB-O 3.2Å; R410-F485 VanDerWaalsContact C-CZ 3.49Å; R410-E623 IonicContact CZ-OE2 3.79Å; R410-E623 IonicContact NE-OE2 3.02Å; R410-E623 IonicContact NH1-OE2 2.74Å; R410-E623 PolarHBondContact NH1-OE2 2.97Å
411	T	94.4	Very high	94.5	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.6	172.8	-167.8	0	0	0	0	111.6	L402 I403 L413 A482 V483 F485	L402-T411 HydrophobicContact CB-CG2 4.17Å; L402-T411 HydrophobicContact CD2-CG2 3.95Å; I403-T411 WeakPolarHBondContact O-CB 3.29Å; I403-T411 PolarHBondContact O-OG1 3.41Å; T411-L413 PolarHBondContact OG1-N 3.1Å; T411-L413 VanDerWaalsContact OG1-N 3.12Å; T411-A482 CarbonylContact O-C 3.15Å; T411-A482 WeakPolarHBondContact O-CA 3.21Å; T411-V483 PolarHBondContact N-O 2.67Å; T411-V483 PolarHBondContact O-N 3.16Å; T411-F485 HydrophobicContact CG2-CE1 3.73Å; T411-F485 HydrophobicContact CG2-CZ 4.29Å
412	D	96.7	Very high	94.1	Very high	23 Å²	23	29 Å²	29	12%	0.123	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	7.6	168.1	65	-17.4	0	0	0	112	K478 L479 A482 T620	D412-K478 CarbonylContact O-C 3.54Å; D412-K478 VanDerWaalsContact O-CA 3.32Å; D412-K478 WeakPolarHBondContact O-CA 3.21Å; D412-K478 IonicContact OD1-NZ 2.8Å; D412-K478 IonicContact OD2-NZ 2.85Å; D412-K478 PolarHBondContact OD2-NZ 3.11Å; D412-L479 WeakPolarHBondContact O-CG 3.03Å; D412-L479 PolarHBondContact O-N 3.12Å; D412-A482 HydrophobicContact CB-CB 4.42Å; D412-T620 HydrophobicContact CB-CG2 3.46Å; D412-T620 VanDerWaalsContact CB-CG2 3.46Å
413	L	97.9	Very high	93.4	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.3	-172.8	-61.8	-179.2	0	0	0	113	I403 V405 T411 L476 L477 K478 D614	I403-L413 HydrophobicContact CD1-CB 4.25Å; I403-L413 HydrophobicContact CG1-CB 3.66Å; I403-L413 PolarHBondContact N-O 3.48Å; V405-L413 HydrophobicContact CG1-CD1 4.35Å; V405-L413 HydrophobicContact CG2-CD1 3.82Å; T411-L413 PolarHBondContact OG1-N 3.1Å; T411-L413 VanDerWaalsContact OG1-N 3.12Å; L413-L476 HydrophobicContact CB-CD1 4.46Å; L413-L476 HydrophobicContact CD2-CD1 4.2Å; L413-L476 HydrophobicContact CD2-CD2 4.32Å; L413-L476 HydrophobicContact CD2-CG 4.37Å; L413-L477 WeakPolarHBondContact CA-O 3.5Å; L413-K478 HydrophobicContact CD2-CD 4.48Å; L413-K478 HydrophobicContact CD2-CG 3.99Å; L413-D614 HydrophobicContact CD1-CB 4.2Å; L413-D614 HydrophobicContact CD2-CB 4.41Å; L413-D614 WeakPolarHBondContact CD2-OD1 3.25Å
414	V	98.6	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.6	168.4	169.6	0	0	0	0	110.2	V382 L384 S401 L402 V437 L477 L479	V382-V414 HydrophobicContact CG2-CG1 3.67Å; V382-V414 HydrophobicContact CG2-CG2 4.21Å; L384-V414 HydrophobicContact CD1-CG1 4.33Å; S401-V414 CarbonylContact O-C 3.58Å; S401-V414 VanDerWaalsContact O-CA 3.25Å; S401-V414 WeakPolarHBondContact O-CA 3.1Å; L402-V414 HydrophobicContact CD2-CG2 3.94Å; V414-V437 HydrophobicContact CG2-CG1 4.27Å; V414-L477 HydrophobicContact CB-CB 4.09Å; V414-L477 HydrophobicContact CG1-CD2 4.29Å; V414-L477 PolarHBondContact N-O 3.38Å; V414-L477 PolarHBondContact O-N 2.99Å; V414-L479 HydrophobicContact CG2-CD1 4.04Å; V414-L479 HydrophobicContact CG2-CD2 4.05Å; V414-L479 HydrophobicContact CG2-CG 4.2Å
415	L	98.8	Very high	92.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135.5	171.2	-165.2	66.2	0	0	0	110	G400 S401 I403 I474 L476 L494 V585 V603 I610	G400-L415 CarbonylContact C-O 3.56Å; G400-L415 WeakPolarHBondContact CA-O 3.1Å; S401-L415 PolarHBondContact N-O 3.33Å; S401-L415 PolarHBondContact O-N 2.75Å; I403-L415 HydrophobicContact CD1-CB 4.06Å; I403-L415 HydrophobicContact CG1-CB 4.35Å; I403-L415 HydrophobicContact CG2-CB 3.91Å; L415-I474 HydrophobicContact CD1-CD1 3.99Å; L415-I474 HydrophobicContact CD1-CG1 3.87Å; L415-L476 HydrophobicContact CD1-CD1 4.48Å; L415-L494 HydrophobicContact CD2-CD2 4.4Å; L415-V585 HydrophobicContact CD2-CG2 3.98Å; L415-V585 HydrophobicContact CG-CG2 4.09Å; L415-V603 HydrophobicContact CD2-CG1 4.14Å; L415-V603 HydrophobicContact CD2-CG2 4.14Å; L415-I610 HydrophobicContact CD1-CD1 3.91Å; L415-I610 HydrophobicContact CD1-CG1 4.17Å; L415-I610 HydrophobicContact CD2-CD1 4.14Å
416	T	98.7	Very high	91.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	-176.7	178.7	-166.9	0	0	0	0	110.8	L384 G399 A475 L477 G569	L384-T416 HydrophobicContact CD2-CG2 3.88Å; G399-T416 PolarHBondContact O-OG1 2.96Å; T416-A475 HydrophobicContact CG2-CB 4.18Å; T416-A475 PolarHBondContact N-O 3.11Å; T416-A475 PolarHBondContact O-N 2.57Å; T416-L477 HydrophobicContact CG2-CD1 3.41Å; T416-L477 VanDerWaalsContact CG2-CD1 3.41Å; T416-L477 HydrophobicContact CG2-CD2 4.36Å; T416-G569 WeakPolarHBondContact OG1-CA 3.44Å
417	A	98.1	Very high	91.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.			trans	-84.4	145.6	177.2	0	0	0	0	0	111.7	H419 C420 V585	A417-H419 VanDerWaalsContact C-N 3.3Å; A417-H419 WeakPolarHBondContact CB-ND1 3.32Å; A417-H419 PolarHBondContact O-N 2.94Å; A417-C420 WeakPolarHBondContact O-CB 3.35Å; A417-C420 PolarHBondContact O-N 3.4Å; A417-V585 HydrophobicContact CB-CG1 3.91Å
418	A	97.8	Very high	91.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-63.1	-37.2	176	0	0	0	0	0	112.1	C420 L421 K422 I461 Y465 D473	A418-C420 PolarHBondContact O-N 3.2Å; A418-C420 VanDerWaalsContact O-N 3.11Å; A418-L421 PolarHBondContact O-N 3.19Å; A418-K422 PolarHBondContact O-N 2.92Å; A418-I461 HydrophobicContact CB-CG2 3.72Å; A418-Y465 HydrophobicContact CB-CD1 3.79Å; A418-Y465 HydrophobicContact CB-CD2 3.52Å; A418-Y465 HydrophobicContact CB-CE1 3.91Å; A418-Y465 HydrophobicContact CB-CE2 3.67Å; A418-Y465 HydrophobicContact CB-CG 3.59Å; A418-D473 WeakPolarHBondContact CA-OD1 3.28Å; A418-D473 WeakPolarHBondContact CB-OD1 3.35Å; A418-D473 PolarHBondContact N-OD1 3.5Å
419	H	95.1	Very high	91.5	Very high	22 Å²	22	39.1 Å²	39.1	10%	0.102	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.7	-16.9	-179.7	79	-101.3	0	0	0	113.8	A417 L421 K422 Y465 D473 S568 S587	A417-H419 VanDerWaalsContact C-N 3.3Å; A417-H419 WeakPolarHBondContact CB-ND1 3.32Å; A417-H419 PolarHBondContact O-N 2.94Å; H419-L421 VanDerWaalsContact C-N 3.26Å; H419-K422 WeakPolarHBondContact CA-O 3.31Å; H419-Y465 WeakPolarHBondContact CA-OH 3.47Å; H419-Y465 WeakPolarHBondContact CB-OH 3.14Å; H419-D473 IonicContact CE1-OD2 3.42Å; H419-D473 IonicContact CG-OD1 2.85Å; H419-D473 IonicContact CG-OD2 3.57Å; H419-D473 PolarHBondContact N-OD1 3.32Å; H419-D473 IonicContact ND1-OD1 3.83Å; H419-D473 PolarHBondContact ND1-OD1 3.31Å; H419-D473 IonicContact ND1-OD2 3.49Å; H419-D473 PolarHBondContact ND1-OD2 2.83Å; H419-S568 WeakPolarHBondContact NE2-CB 3.47Å; H419-S568 PolarHBondContact NE2-OG 2.75Å; H419-S587 PolarHBondContact CE1-O 3.29Å; H419-S587 VanDerWaalsContact CE1-O 3.25Å
420	C	95.2	Very high	91.7	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.02	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-70.5	-25.1	171.9	-70	0	0	0	0	112.6	C398 A417 A418 K430	C398-C420 HydrophobicContact CB-CB 3.74Å; C398-C420 WeakPolarHBondContact CB-SG 3.46Å; C398-C420 WeakPolarHBondContact SG-CB 3.3Å; C398-C420 CovalentContact SG-SG 2.04Å; C398-C420 PolarHBondContact SG-SG 2.89Å; A417-C420 WeakPolarHBondContact O-CB 3.35Å; A417-C420 PolarHBondContact O-N 3.4Å; A418-C420 PolarHBondContact O-N 3.2Å; A418-C420 VanDerWaalsContact O-N 3.11Å; C420-K430 PolarHBondContact O-NZ 3.48Å
421	L	95	Very high	91.7	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-31	-177.5	-53.7	-178.3	0	0	0	112.6	A418 H419 K430 I435 Y459 I461 A475 L477	A418-L421 PolarHBondContact O-N 3.19Å; H419-L421 VanDerWaalsContact C-N 3.26Å; L421-K430 WeakPolarHBondContact O-CG 2.7Å; L421-K430 PolarHBondContact O-N 2.96Å; L421-I435 HydrophobicContact CD2-CD1 3.68Å; L421-Y459 HydrophobicContact CB-CE2 4.33Å; L421-Y459 HydrophobicContact CD1-CD1 4.27Å; L421-Y459 HydrophobicContact CD1-CD2 3.46Å; L421-Y459 VanDerWaalsContact CD1-CD2 3.46Å; L421-Y459 HydrophobicContact CD1-CE2 3.82Å; L421-Y459 HydrophobicContact CD1-CG 3.72Å; L421-I461 HydrophobicContact CB-CD1 3.86Å; L421-I461 HydrophobicContact CB-CG1 4.16Å; L421-I461 HydrophobicContact CD1-CG1 4.02Å; L421-A475 HydrophobicContact CD1-CB 3.58Å; L421-A475 HydrophobicContact CG-CB 4.49Å; L421-L477 HydrophobicContact CD1-CD1 3.91Å
422	K	91.8	Very high	91.8	Very high	55 Å²	55	40.5 Å²	40.5	24%	0.239	22%	0.221	C	C	.	.			trans	-139.1	106.4	178	-176.5	177.8	-167.7	155.9	0	110.7	A418 H419 T424 D429 I461 Y465	A418-K422 PolarHBondContact O-N 2.92Å; H419-K422 WeakPolarHBondContact CA-O 3.31Å; K422-T424 WeakPolarHBondContact CG-O 3.36Å; K422-D429 WeakPolarHBondContact CD-OD1 3.36Å; K422-D429 IonicContact NZ-OD1 3.98Å; K422-D429 PolarHBondContact NZ-OD1 2.98Å; K422-I461 HydrophobicContact CB-CD1 3.76Å; K422-Y465 HydrophobicContact CB-CE1 4.38Å
423	K	81.7	Confident	91.6	Very high	90 Å²	90	42.9 Å²	42.9	39%	0.391	24%	0.239	S	C	.	.			trans	-80.5	-35.9	-168.9	-169.1	169.3	-179.8	178.1	0	113.6	D388 P389 Y390 S427	D388-K423 IonicContact OD2-NZ 2.84Å; D388-K423 PolarHBondContact OD2-NZ 2.71Å; D388-K423 VanDerWaalsContact OD2-NZ 3.13Å; P389-K423 HydrophobicContact CG-CB 4.27Å; P389-K423 HydrophobicContact CG-CD 3.87Å; Y390-K423 HydrophobicContact CE2-CD 4.01Å; K423-S427 PolarHBondContact N-OG 3.41Å
424	T	84.8	Confident	91.3	Very high	44 Å²	44	46.2 Å²	46.2	27%	0.27	26%	0.257	S	S	.	.	S	Bend	trans	-140.9	168.1	179.5	63.3	0	0	0	0	110	Y390 K422 D426 S427	Y390-T424 WeakPolarHBondContact OH-CG2 3.28Å; Y390-T424 PolarHBondContact OH-OG1 3.26Å; K422-T424 WeakPolarHBondContact CG-O 3.36Å; T424-D426 PolarHBondContact O-N 2.78Å; T424-S427 PolarHBondContact N-OG 3.15Å; T424-S427 PolarHBondContact O-N 3.1Å; T424-S427 PolarHBondContact O-OG 2.99Å; T424-S427 WeakPolarHBondContact OG1-CB 3.31Å; T424-S427 PolarHBondContact OG1-N 3.15Å
425	A	82.9	Confident	91.2	Very high	70 Å²	70	46.3 Å²	46.3	58%	0.579	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.2	175.6	0	0	0	0	0	112	P467	A425-P467 HydrophobicContact CB-CG 4.14Å
426	D	83.2	Confident	91	Very high	158 Å²	158	47.1 Å²	47.1	85%	0.845	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-12.3	-177.9	-52.3	-48.4	0	0	0	113.7	T424	T424-D426 PolarHBondContact O-N 2.78Å
427	S	80.3	Confident	91	Very high	7 Å²	7	47.1 Å²	47.1	5%	0.049	26%	0.264	C	S	.	.	S	Bend	trans	-73	132.6	178	67.9	0	0	0	0	109.8	K423 T424 D429	K423-S427 PolarHBondContact N-OG 3.41Å; T424-S427 PolarHBondContact N-OG 3.15Å; T424-S427 PolarHBondContact O-N 3.1Å; T424-S427 PolarHBondContact O-OG 2.99Å; T424-S427 WeakPolarHBondContact OG1-CB 3.31Å; T424-S427 PolarHBondContact OG1-N 3.15Å; S427-D429 PolarHBondContact O-N 2.9Å
428	P	83.9	Confident	90.8	Very high	96 Å²	96	48.3 Å²	48.3	62%	0.623	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-62.7	140.3	171.2	28	-33.7	0	0	0	109.4	K430	P428-K430 PolarHBondContact O-N 3.28Å
429	D	87.8	Confident	90.7	Very high	78 Å²	78	48.3 Å²	48.3	42%	0.417	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-50.9	134.1	165.4	-77.8	40.7	0	0	0	109.9	K422 S427 Y459	K422-D429 WeakPolarHBondContact CD-OD1 3.36Å; K422-D429 IonicContact NZ-OD1 3.98Å; K422-D429 PolarHBondContact NZ-OD1 2.98Å; S427-D429 PolarHBondContact O-N 2.9Å; D429-Y459 WeakPolarHBondContact CB-OH 3.2Å
430	K	91	Very high	90.5	Very high	21 Å²	21	47.4 Å²	47.4	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.1	142.7	176.4	-72.2	177.3	179.5	173.1	0	110.4	S386 P387 C420 L421 P428 I435 Y459	S386-K430 WeakPolarHBondContact OG-CE 2.92Å; S386-K430 PolarHBondContact OG-NZ 3.06Å; P387-K430 WeakPolarHBondContact O-CE 3.26Å; C420-K430 PolarHBondContact O-NZ 3.48Å; L421-K430 WeakPolarHBondContact O-CG 2.7Å; L421-K430 PolarHBondContact O-N 2.96Å; P428-K430 PolarHBondContact O-N 3.28Å; K430-I435 HydrophobicContact CB-CD1 4.14Å; K430-I435 HydrophobicContact CB-CG1 4.32Å; K430-Y459 VanDerWaalsContact O-CE1 3.25Å; K430-Y459 WeakPolarHBondContact O-CE1 3.08Å; K430-Y459 PolarHBondContact O-OH 3.46Å
431	K	92.8	Very high	90.2	Very high	137 Å²	137	47.7 Å²	47.7	60%	0.596	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-72.6	137.8	173.1	-63	-178.3	178.3	-176	0	109.3	S433 D434	K431-S433 PolarHBondContact O-N 3.01Å; K431-D434 HydrophobicContact CB-CB 4.48Å; K431-D434 WeakPolarHBondContact O-CB 3.49Å; K431-D434 PolarHBondContact O-N 3.06Å
432	P	94.7	Very high	89.5	Confident	41 Å²	41	47.8 Å²	47.8	27%	0.266	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-50.6	-40.6	174.7	-29.3	35.4	0	0	0	113.2	D434 I435 V456 Y459	P432-D434 PolarHBondContact O-N 3.31Å; P432-D434 VanDerWaalsContact O-N 3.1Å; P432-I435 PolarHBondContact O-N 3.38Å; P432-V456 CarbonylContact C-O 3.26Å; P432-V456 HydrophobicContact CB-CB 4.45Å; P432-V456 HydrophobicContact CB-CG1 4.21Å; P432-V456 VanDerWaalsContact CB-O 3.26Å; P432-V456 WeakPolarHBondContact CB-O 3.49Å; P432-Y459 HydrophobicContact CG-CD1 4Å; P432-Y459 HydrophobicContact CG-CE1 4Å
433	S	92.9	Very high	88.6	Confident	72 Å²	72	48.4 Å²	48.4	50%	0.503	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-62.1	-16.1	177.2	61.8	0	0	0	0	115.2	K431 M455	K431-S433 PolarHBondContact O-N 3.01Å; S433-M455 WeakPolarHBondContact O-CE 3.2Å
434	D	92.6	Very high	88.1	Confident	74 Å²	74	45 Å²	45	40%	0.396	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-95.9	-1.2	179.4	-61.6	-19.6	0	0	0	111.7	S386 P387 K431 P432	S386-D434 WeakPolarHBondContact CA-O 3.4Å; P387-D434 VanDerWaalsContact CD-O 3.25Å; P387-D434 WeakPolarHBondContact CD-O 3.26Å; P387-D434 HydrophobicContact CG-CB 4.23Å; K431-D434 HydrophobicContact CB-CB 4.48Å; K431-D434 WeakPolarHBondContact O-CB 3.49Å; K431-D434 PolarHBondContact O-N 3.06Å; P432-D434 PolarHBondContact O-N 3.31Å; P432-D434 VanDerWaalsContact O-N 3.1Å
435	I	95.5	Very high	87.4	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.269	C	S	.	.			trans	-107.8	114.8	-175.4	-52.6	165.5	0	0	0	109.3	L421 K430 P432 M455 V456 Y459	L421-I435 HydrophobicContact CD2-CD1 3.68Å; K430-I435 HydrophobicContact CB-CD1 4.14Å; K430-I435 HydrophobicContact CB-CG1 4.32Å; P432-I435 PolarHBondContact O-N 3.38Å; I435-M455 WeakPolarHBondContact O-CE 3.09Å; I435-V456 HydrophobicContact CB-CB 4.14Å; I435-V456 HydrophobicContact CB-CG2 3.74Å; I435-V456 HydrophobicContact CG2-CB 4.49Å; I435-V456 HydrophobicContact CG2-CG2 3.57Å; I435-V456 PolarHBondContact O-N 2.69Å; I435-Y459 HydrophobicContact CD1-CD1 3.98Å; I435-Y459 HydrophobicContact CD1-CE1 3.89Å
436	S	95.4	Very high	86.6	Confident	18 Å²	18	47.4 Å²	47.4	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.2	171.4	-64.6	0	0	0	0	110	L384 N385 M455	L384-S436 CarbonylContact C-O 3.54Å; L384-S436 WeakPolarHBondContact CA-O 3.43Å; N385-S436 PolarHBondContact N-O 2.85Å; N385-S436 PolarHBondContact O-N 3.33Å; S436-M455 PolarHBondContact OG-SD 2.9Å
437	V	97.4	Very high	85.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.4	171.6	-178.2	0	0	0	0	108.5	V382 L383 L384 V414 V439 R453 V454 V456 L477 L479	V382-V437 HydrophobicContact CB-CG1 3.77Å; V382-V437 HydrophobicContact CG1-CG1 4.17Å; V382-V437 HydrophobicContact CG2-CG1 4.01Å; L383-V437 CarbonylContact O-C 3.52Å; L383-V437 WeakPolarHBondContact O-CA 3.48Å; L384-V437 HydrophobicContact CG-CG2 4.3Å; V414-V437 HydrophobicContact CG2-CG1 4.27Å; V437-V439 HydrophobicContact CG1-CG1 4.05Å; V437-R453 WeakPolarHBondContact O-CA 3.03Å; V437-V454 WeakPolarHBondContact CA-O 3.44Å; V437-V454 HydrophobicContact CB-CG1 4Å; V437-V454 HydrophobicContact CG1-CG1 4.35Å; V437-V454 PolarHBondContact N-O 3.39Å; V437-V454 WeakPolarHBondContact O-CG1 3.27Å; V437-V454 PolarHBondContact O-N 3.21Å; V437-V454 VanDerWaalsContact O-O 3.11Å; V437-V456 HydrophobicContact CG2-CG2 3.68Å; V437-L477 HydrophobicContact CG2-CD2 4.48Å; V437-L479 HydrophobicContact CB-CD2 3.98Å; V437-L479 HydrophobicContact CG1-CD2 4.23Å; V437-L479 HydrophobicContact CG2-CD2 3.75Å
438	F	95.2	Very high	85.2	Confident	24 Å²	24	48.2 Å²	48.2	11%	0.105	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125	175.2	-64.2	-102.3	0	0	0	109.2	V382 L383 N385 I441 S449 K452 R453	V382-F438 VanDerWaalsContact CA-O 3.31Å; V382-F438 WeakPolarHBondContact CA-O 3.33Å; V382-F438 WeakPolarHBondContact CB-O 3.21Å; L383-F438 HydrophobicContact CB-CB 4.24Å; L383-F438 PolarHBondContact N-O 2.8Å; L383-F438 VanDerWaalsContact N-O 3.1Å; L383-F438 PolarHBondContact O-N 3.05Å; N385-F438 HydrophobicContact CB-CE2 4.08Å; N385-F438 WeakPolarHBondContact ND2-CE2 3.48Å; F438-I441 HydrophobicContact CB-CD1 3.69Å; F438-I441 HydrophobicContact CB-CG1 4.09Å; F438-I441 HydrophobicContact CB-CG2 4.2Å; F438-S449 VanDerWaalsContact CD1-O 3.22Å; F438-S449 WeakPolarHBondContact CD1-O 3.33Å; F438-S449 WeakPolarHBondContact CE1-O 2.92Å; F438-K452 WeakPolarHBondContact CA-O 3.27Å; F438-R453 HydrophobicContact CD1-CB 4.13Å; F438-R453 HydrophobicContact CE1-CB 3.89Å; F438-R453 HydrophobicContact CE1-CG 4.2Å; F438-R453 HydrophobicContact CE2-CG 4.39Å; F438-R453 HydrophobicContact CZ-CB 4.29Å; F438-R453 HydrophobicContact CZ-CG 4.08Å
439	V	95.3	Very high	84.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.5	-175.1	-58.5	0	0	0	0	111.1	V382 L402 V437 I441 K452 V454 V483 T489 L629	V382-V439 HydrophobicContact CG1-CB 4.48Å; V382-V439 HydrophobicContact CG1-CG1 3.81Å; L402-V439 HydrophobicContact CD2-CG1 4.36Å; V437-V439 HydrophobicContact CG1-CG1 4.05Å; V439-I441 PolarHBondContact O-N 3.29Å; V439-K452 PolarHBondContact N-O 2.92Å; V439-K452 VanDerWaalsContact N-O 3.08Å; V439-K452 VanDerWaalsContact O-CB 3.29Å; V439-K452 WeakPolarHBondContact O-CB 3.43Å; V439-V454 HydrophobicContact CG1-CG1 4.08Å; V439-V483 HydrophobicContact CG1-CG2 4.16Å; V439-V483 HydrophobicContact CG2-CG1 4.17Å; V439-V483 HydrophobicContact CG2-CG2 4.34Å; V439-T489 HydrophobicContact CB-CG2 4.23Å; V439-T489 HydrophobicContact CG2-CG2 4.27Å; V439-L629 HydrophobicContact CG2-CD2 3.64Å
440	G	90.8	Very high	84.2	Confident	4 Å²	4	44.7 Å²	44.7	4%	0.041	24%	0.236	C	C	.	.	S	Bend	trans	58.6	23.2	176.6	0	0	0	0	0	114.7	H376 K452 I488	H376-G440 PolarHBondContact CE1-O 3.03Å; H376-G440 PolarHBondContact ND1-O 3.22Å; G440-K452 PolarHBondContact O-NZ 3.03Å; G440-I488 VanDerWaalsContact CA-O 3.31Å; G440-I488 WeakPolarHBondContact CA-O 3.23Å
441	I	88.3	Confident	83.8	Confident	8 Å²	8	49 Å²	49	4%	0.041	25%	0.252	C	S	.	.			trans	-91.6	147.3	175.5	59.1	156.7	0	0	0	110.2	L383 F438 V439 Q444 K452 W512	L383-I441 HydrophobicContact CB-CD1 3.86Å; L383-I441 HydrophobicContact CD2-CD1 4.03Å; F438-I441 HydrophobicContact CB-CD1 3.69Å; F438-I441 HydrophobicContact CB-CG1 4.09Å; F438-I441 HydrophobicContact CB-CG2 4.2Å; V439-I441 PolarHBondContact O-N 3.29Å; I441-Q444 HydrophobicContact CD1-CB 4.26Å; I441-K452 HydrophobicContact CG2-CB 4.05Å; I441-K452 HydrophobicContact CG2-CD 3.98Å; I441-W512 HydrophobicContact CD1-CH2 4.15Å; I441-W512 HydrophobicContact CD1-CZ2 3.84Å; I441-W512 HydrophobicContact CG1-CH2 4Å; I441-W512 HydrophobicContact CG1-CZ2 3.76Å
442	H	81.3	Confident	83.7	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.028	22%	0.223	C	C	.	.	S	Bend	trans	-111.4	-43.4	165.9	-172.5	68.1	0	0	0	110.3	E372 A373 K375 W512 E525 L526	E372-H442 IonicContact OE1-CD2 3.55Å; E372-H442 IonicContact OE1-CE1 3.13Å; E372-H442 IonicContact OE1-NE2 3.78Å; E372-H442 PolarHBondContact OE1-NE2 3.31Å; A373-H442 PolarHBondContact O-CE1 2.79Å; K375-H442 HydrophobicContact CG-CB 3.86Å; H442-W512 PolarHBondContact O-NE1 3.01Å; H442-E525 CarbonylContact O-C 3.45Å; H442-E525 WeakPolarHBondContact O-CA 2.99Å; H442-L526 PolarHBondContact O-N 3.08Å
443	H	72.7	Confident	83.7	Confident	68 Å²	68	46.4 Å²	46.4	32%	0.315	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-103.9	113.9	177.4	-63.5	86.7	0	0	0	109.9	Y445 A446 S449 S524 E525	H443-Y445 PolarHBondContact O-N 3.08Å; H443-A446 HydrophobicContact CB-CB 3.73Å; H443-A446 PolarHBondContact O-N 3.14Å; H443-S449 PolarHBondContact O-OG 2.94Å; H443-S524 CarbonylContact C-O 3.57Å; H443-S524 VanDerWaalsContact CA-O 3.26Å; H443-S524 WeakPolarHBondContact CA-O 3.38Å; H443-E525 VanDerWaalsContact CD2-CG 3.43Å; H443-E525 WeakPolarHBondContact CD2-CG 3.07Å; H443-E525 WeakPolarHBondContact NE2-CG 3.29Å
444	Q	71.9	Confident	83.8	Confident	19 Å²	19	43.2 Å²	43.2	9%	0.089	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.4	-176.9	62.7	167.9	-51.5	0	0	113.8	L383 I441 E523 S524	L383-Q444 HydrophobicContact CD2-CB 3.66Å; I441-Q444 HydrophobicContact CD1-CB 4.26Å; Q444-E523 PolarHBondContact NE2-O 2.75Å; Q444-S524 PolarHBondContact N-O 2.78Å
445	Y	69.9	Low	84	Confident	135 Å²	135	41.7 Å²	41.7	53%	0.529	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	11.6	179.7	-48.5	-57.1	0	0	0	113.9	H443	H443-Y445 PolarHBondContact O-N 3.08Å
446	A	66.2	Low	84.1	Confident	29 Å²	29	41.7 Å²	41.7	24%	0.24	20%	0.201	C	C	.	.	S	Bend	trans	-70.8	148.5	175.1	0	0	0	0	0	111.8	H443 D448 S449	H443-A446 HydrophobicContact CB-CB 3.73Å; H443-A446 PolarHBondContact O-N 3.14Å; A446-D448 VanDerWaalsContact CB-OD1 3.25Å; A446-D448 WeakPolarHBondContact CB-OD1 2.94Å; A446-D448 PolarHBondContact O-N 2.97Å; A446-D448 VanDerWaalsContact O-N 3.16Å; A446-S449 VanDerWaalsContact O-CB 3.32Å; A446-S449 WeakPolarHBondContact O-CB 3.25Å; A446-S449 PolarHBondContact O-N 2.88Å; A446-S449 PolarHBondContact O-OG 2.93Å
447	D	62.5	Low	84.1	Confident	153 Å²	153	44.4 Å²	44.4	82%	0.818	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.7	-179.3	-74.5	-8.7	0	0	0	112.6
448	D	70.2	Confident	84.1	Confident	29 Å²	29	45.2 Å²	45.2	16%	0.155	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.2	-179.5	71.1	-48.3	0	0	0	114	A446 V450 R451 K452 Y632	A446-D448 VanDerWaalsContact CB-OD1 3.25Å; A446-D448 WeakPolarHBondContact CB-OD1 2.94Å; A446-D448 PolarHBondContact O-N 2.97Å; A446-D448 VanDerWaalsContact O-N 3.16Å; D448-V450 PolarHBondContact O-N 3Å; D448-V450 VanDerWaalsContact O-N 3.16Å; D448-R451 WeakPolarHBondContact O-CB 3.03Å; D448-R451 PolarHBondContact O-N 2.85Å; D448-K452 PolarHBondContact O-N 3.02Å; D448-K452 IonicContact OD2-NZ 3.01Å; D448-K452 PolarHBondContact OD2-NZ 2.97Å; D448-Y632 HydrophobicContact CB-CD2 3.15Å; D448-Y632 HydrophobicContact CB-CE2 3.53Å; D448-Y632 HydrophobicContact CB-CG 3.92Å; D448-Y632 WeakPolarHBondContact OD2-CD2 3.01Å
449	S	73.1	Confident	84.2	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.021	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.9	-33.7	-178.5	-63.1	0	0	0	0	111.9	F438 H443 A446 R451 K452	F438-S449 VanDerWaalsContact CD1-O 3.22Å; F438-S449 WeakPolarHBondContact CD1-O 3.33Å; F438-S449 WeakPolarHBondContact CE1-O 2.92Å; H443-S449 PolarHBondContact O-OG 2.94Å; A446-S449 VanDerWaalsContact O-CB 3.32Å; A446-S449 WeakPolarHBondContact O-CB 3.25Å; A446-S449 PolarHBondContact O-N 2.88Å; A446-S449 PolarHBondContact O-OG 2.93Å; S449-R451 VanDerWaalsContact C-N 3.27Å; S449-R451 PolarHBondContact O-N 2.74Å; S449-K452 PolarHBondContact O-N 3.12Å; S449-K452 VanDerWaalsContact O-N 3.08Å
450	V	77.9	Confident	84.3	Confident	96 Å²	96	48.7 Å²	48.7	58%	0.582	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-62.3	-33	176.8	-178.8	0	0	0	0	112.4	D448 K452 R453	D448-V450 PolarHBondContact O-N 3Å; D448-V450 VanDerWaalsContact O-N 3.16Å; V450-K452 VanDerWaalsContact C-N 3.3Å; V450-R453 WeakPolarHBondContact O-CB 3.36Å
451	R	84.1	Confident	84.6	Confident	113 Å²	113	49.5 Å²	49.5	43%	0.426	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-71.7	-27.5	176.8	-65.6	-175.5	65.2	164.2	-1	112	D448 S449 R453 F624 D628 Y632	D448-R451 WeakPolarHBondContact O-CB 3.03Å; D448-R451 PolarHBondContact O-N 2.85Å; S449-R451 VanDerWaalsContact C-N 3.27Å; S449-R451 PolarHBondContact O-N 2.74Å; R451-R453 PolarHBondContact O-N 2.94Å; R451-F624 WeakPolarHBondContact O-CZ 3.35Å; R451-D628 HydrophobicContact CB-CB 4.28Å; R451-D628 IonicContact CZ-OD1 2.93Å; R451-D628 IonicContact NE-OD1 3.17Å; R451-D628 PolarHBondContact NE-OD1 3.09Å; R451-D628 IonicContact NH2-OD1 2.69Å; R451-D628 PolarHBondContact NH2-OD1 2.8Å; R451-D628 WeakPolarHBondContact O-CB 3.05Å; R451-Y632 VanDerWaalsContact CZ-OH 3.29Å; R451-Y632 PolarHBondContact NH1-OH 2.6Å
452	K	89.8	Confident	85.1	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-89.5	20.4	-178.7	-67.1	173.1	177.2	165.5	0	113.7	F438 V439 G440 I441 D448 S449 V450 D628 V630	F438-K452 WeakPolarHBondContact CA-O 3.27Å; V439-K452 PolarHBondContact N-O 2.92Å; V439-K452 VanDerWaalsContact N-O 3.08Å; V439-K452 VanDerWaalsContact O-CB 3.29Å; V439-K452 WeakPolarHBondContact O-CB 3.43Å; G440-K452 PolarHBondContact O-NZ 3.03Å; I441-K452 HydrophobicContact CG2-CB 4.05Å; I441-K452 HydrophobicContact CG2-CD 3.98Å; D448-K452 PolarHBondContact O-N 3.02Å; D448-K452 IonicContact OD2-NZ 3.01Å; D448-K452 PolarHBondContact OD2-NZ 2.97Å; S449-K452 PolarHBondContact O-N 3.12Å; S449-K452 VanDerWaalsContact O-N 3.08Å; V450-K452 VanDerWaalsContact C-N 3.3Å; K452-D628 WeakPolarHBondContact CE-O 3.29Å; K452-D628 WeakPolarHBondContact CG-O 3.02Å; K452-V630 WeakPolarHBondContact CE-O 3.2Å; K452-V630 PolarHBondContact NZ-O 3.3Å
453	R	94.2	Very high	85.8	Confident	122 Å²	122	55.1 Å²	55.1	46%	0.46	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.9	-179.3	-178.6	180	61.2	165.7	0.1	110.6	V437 F438 V450 R451 F624	V437-R453 WeakPolarHBondContact O-CA 3.03Å; F438-R453 HydrophobicContact CD1-CB 4.13Å; F438-R453 HydrophobicContact CE1-CB 3.89Å; F438-R453 HydrophobicContact CE1-CG 4.2Å; F438-R453 HydrophobicContact CE2-CG 4.39Å; F438-R453 HydrophobicContact CZ-CB 4.29Å; F438-R453 HydrophobicContact CZ-CG 4.08Å; V450-R453 WeakPolarHBondContact O-CB 3.36Å; R451-R453 PolarHBondContact O-N 2.94Å; R453-F624 WeakPolarHBondContact O-CE2 3.36Å
454	V	95.5	Very high	86.9	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.024	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.8	170.9	58.4	0	0	0	0	109.3	V437 V439 L479 K481 V483 F624	V437-V454 WeakPolarHBondContact CA-O 3.44Å; V437-V454 HydrophobicContact CB-CG1 4Å; V437-V454 HydrophobicContact CG1-CG1 4.35Å; V437-V454 PolarHBondContact N-O 3.39Å; V437-V454 WeakPolarHBondContact O-CG1 3.27Å; V437-V454 PolarHBondContact O-N 3.21Å; V437-V454 VanDerWaalsContact O-O 3.11Å; V439-V454 HydrophobicContact CG1-CG1 4.08Å; V454-L479 HydrophobicContact CG1-CD1 3.95Å; V454-L479 HydrophobicContact CG1-CD2 4.08Å; V454-L479 HydrophobicContact CG1-CG 4.46Å; V454-L479 HydrophobicContact CG2-CB 4.03Å; V454-K481 HydrophobicContact CG2-CB 4.11Å; V454-V483 HydrophobicContact CG1-CG2 4.42Å; V454-F624 HydrophobicContact CB-CD2 3.8Å; V454-F624 HydrophobicContact CB-CE2 3.78Å; V454-F624 HydrophobicContact CG2-CD2 4.12Å
455	M	96.5	Very high	88.1	Confident	43 Å²	43	59.9 Å²	59.9	21%	0.212	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	161.1	-179.8	-59.1	-59	-64.1	0	0	110.8	S433 I435 S436 E480	S433-M455 WeakPolarHBondContact O-CE 3.2Å; I435-M455 WeakPolarHBondContact O-CE 3.09Å; S436-M455 PolarHBondContact OG-SD 2.9Å; M455-E480 VanDerWaalsContact CB-CD 3.48Å; M455-E480 HydrophobicContact CB-CG 4.08Å; M455-E480 WeakPolarHBondContact CB-OE2 3.36Å; M455-E480 PolarHBondContact O-N 2.86Å
456	V	97.4	Very high	89.2	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.4	175.5	-179.4	0	0	0	0	110	P432 I435 V437 S458 Y459 L477	P432-V456 CarbonylContact C-O 3.26Å; P432-V456 HydrophobicContact CB-CB 4.45Å; P432-V456 HydrophobicContact CB-CG1 4.21Å; P432-V456 VanDerWaalsContact CB-O 3.26Å; P432-V456 WeakPolarHBondContact CB-O 3.49Å; I435-V456 HydrophobicContact CB-CB 4.14Å; I435-V456 HydrophobicContact CB-CG2 3.74Å; I435-V456 HydrophobicContact CG2-CB 4.49Å; I435-V456 HydrophobicContact CG2-CG2 3.57Å; I435-V456 PolarHBondContact O-N 2.69Å; V437-V456 HydrophobicContact CG2-CG2 3.68Å; V456-S458 VanDerWaalsContact CG1-O 3.26Å; V456-S458 WeakPolarHBondContact CG1-O 3.46Å; V456-Y459 HydrophobicContact CG1-CD1 4.4Å; V456-L477 HydrophobicContact CG1-CB 4.32Å; V456-L477 HydrophobicContact CG1-CG 4.27Å; V456-L477 HydrophobicContact CG2-CD2 3.9Å; V456-L477 HydrophobicContact CG2-CG 4.46Å
457	Q	96.6	Very high	90.5	Very high	75 Å²	75	55.8 Å²	55.8	35%	0.35	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-46.4	176	-174.5	175.8	14.3	0	0	111.1	K478 E480 P618	Q457-K478 PolarHBondContact N-O 2.95Å; Q457-E480 HydrophobicContact CB-CB 4.49Å; Q457-E480 HydrophobicContact CB-CG 3.87Å; Q457-P618 PolarHBondContact OE1-O 3.35Å
458	S	97	Very high	91.9	Very high	18 Å²	18	56.1 Å²	56.1	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	162.8	179.8	62.1	0	0	0	0	109.5	V456 K478	V456-S458 VanDerWaalsContact CG1-O 3.26Å; V456-S458 WeakPolarHBondContact CG1-O 3.46Å; S458-K478 PolarHBondContact N-O 3.21Å; S458-K478 PolarHBondContact O-N 3.42Å
459	Y	97.3	Very high	92.8	Very high	34 Å²	34	56.7 Å²	56.7	13%	0.133	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	166	172.4	67.4	-104.8	0	0	0	110	L421 D429 K430 P432 I435 V456 I461 L476	L421-Y459 HydrophobicContact CB-CE2 4.33Å; L421-Y459 HydrophobicContact CD1-CD1 4.27Å; L421-Y459 HydrophobicContact CD1-CD2 3.46Å; L421-Y459 VanDerWaalsContact CD1-CD2 3.46Å; L421-Y459 HydrophobicContact CD1-CE2 3.82Å; L421-Y459 HydrophobicContact CD1-CG 3.72Å; D429-Y459 WeakPolarHBondContact CB-OH 3.2Å; K430-Y459 VanDerWaalsContact O-CE1 3.25Å; K430-Y459 WeakPolarHBondContact O-CE1 3.08Å; K430-Y459 PolarHBondContact O-OH 3.46Å; P432-Y459 HydrophobicContact CG-CD1 4Å; P432-Y459 HydrophobicContact CG-CE1 4Å; I435-Y459 HydrophobicContact CD1-CD1 3.98Å; I435-Y459 HydrophobicContact CD1-CE1 3.89Å; V456-Y459 HydrophobicContact CG1-CD1 4.4Å; Y459-I461 HydrophobicContact CD2-CG1 4.15Å; Y459-I461 HydrophobicContact CE2-CD1 3.88Å; Y459-I461 HydrophobicContact CE2-CG1 3.87Å; Y459-L476 CarbonylContact C-O 3.52Å; Y459-L476 WeakPolarHBondContact CA-O 3.46Å; Y459-L476 WeakPolarHBondContact CB-O 3.28Å
460	K	97.7	Very high	93.8	Very high	62 Å²	62	59.4 Å²	59.4	27%	0.27	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	122.5	172.6	-175.3	69.6	176.7	-168.5	0	110.1	E463 A475 L476 W609 Q613 L617	K460-E463 WeakPolarHBondContact CE-OE1 3.35Å; K460-E463 IonicContact NZ-OE1 2.61Å; K460-E463 PolarHBondContact NZ-OE1 2.88Å; K460-A475 CarbonylContact O-C 3.47Å; K460-A475 VanDerWaalsContact O-CA 3.26Å; K460-A475 WeakPolarHBondContact O-CA 3.35Å; K460-A475 WeakPolarHBondContact O-CB 3.28Å; K460-L476 PolarHBondContact N-O 3.23Å; K460-L476 PolarHBondContact O-N 2.84Å; K460-W609 HydrophobicContact CB-CZ2 4.46Å; K460-W609 HydrophobicContact CG-CZ2 3.85Å; K460-Q613 HydrophobicContact CB-CB 4.5Å; K460-Q613 HydrophobicContact CB-CG 4.39Å; K460-Q613 HydrophobicContact CG-CB 4.5Å; K460-Q613 HydrophobicContact CG-CG 3.91Å; K460-L617 HydrophobicContact CB-CD1 4.14Å; K460-L617 HydrophobicContact CB-CD2 4.32Å
461	I	97.5	Very high	94.6	Very high	21 Å²	21	56.1 Å²	56.1	11%	0.108	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	140.3	164.4	-65.3	166.6	0	0	0	107.6	A418 L421 K422 Y459 E463 Y465 A475	A418-I461 HydrophobicContact CB-CG2 3.72Å; L421-I461 HydrophobicContact CB-CD1 3.86Å; L421-I461 HydrophobicContact CB-CG1 4.16Å; L421-I461 HydrophobicContact CD1-CG1 4.02Å; K422-I461 HydrophobicContact CB-CD1 3.76Å; Y459-I461 HydrophobicContact CD2-CG1 4.15Å; Y459-I461 HydrophobicContact CE2-CD1 3.88Å; Y459-I461 HydrophobicContact CE2-CG1 3.87Å; I461-E463 PolarHBondContact O-N 3.35Å; I461-Y465 HydrophobicContact CG2-CD1 3.86Å; I461-Y465 HydrophobicContact CG2-CG 3.96Å; I461-A475 HydrophobicContact CG1-CB 4.32Å
462	H	97.8	Very high	95.2	Very high	25 Å²	25	51.4 Å²	51.4	12%	0.116	23%	0.234	C	C	.	.			trans	-53.7	132.4	175.5	-170.2	-83.9	0	0	0	111.2	K464 Y465 N472 I474 Y606 W609	H462-K464 PolarHBondContact ND1-N 3.42Å; H462-K464 PolarHBondContact O-N 2.98Å; H462-K464 VanDerWaalsContact O-N 3.08Å; H462-Y465 VanDerWaalsContact O-CB 3.25Å; H462-Y465 WeakPolarHBondContact O-CB 3.46Å; H462-Y465 PolarHBondContact O-N 2.93Å; H462-N472 HydrophobicContact CB-CB 4.01Å; H462-N472 WeakPolarHBondContact ND1-CB 3.36Å; H462-I474 HydrophobicContact CB-CG2 3.87Å; H462-I474 PolarHBondContact N-O 3.12Å; H462-Y606 AromaticContact CD2-CD1 3.74Å; H462-Y606 AromaticContact CD2-CE1 3.85Å; H462-Y606 AromaticContact NE2-CD1 3.92Å; H462-Y606 AromaticContact NE2-CE1 3.87Å; H462-W609 HydrophobicContact CB-CZ2 4Å; H462-W609 AromaticContact CD2-CD1 3.6Å; H462-W609 AromaticContact CD2-CD2 3.85Å; H462-W609 AromaticContact CD2-CE2 3.66Å; H462-W609 AromaticContact CD2-CG 3.84Å; H462-W609 AromaticContact CD2-NE1 3.47Å; H462-W609 PolarHBondContact CD2-NE1 3.16Å; H462-W609 AromaticContact NE2-CD1 3.93Å
463	E	95.7	Very high	95.6	Very high	108 Å²	108	51.5 Å²	51.5	51%	0.505	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.6	-169.6	-70.4	83.3	173.6	0	0	113.4	K460 I461 W609	K460-E463 WeakPolarHBondContact CE-OE1 3.35Å; K460-E463 IonicContact NZ-OE1 2.61Å; K460-E463 PolarHBondContact NZ-OE1 2.88Å; I461-E463 PolarHBondContact O-N 3.35Å; E463-W609 PolarHBondContact OE2-NE1 3.36Å
464	K	96.1	Very high	95.8	Very high	160 Å²	160	45.7 Å²	45.7	70%	0.696	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	20.2	178.7	-57.2	-179.2	-179	174.5	0	113.2	H462 D466 N472	H462-K464 PolarHBondContact ND1-N 3.42Å; H462-K464 PolarHBondContact O-N 2.98Å; H462-K464 VanDerWaalsContact O-N 3.08Å; K464-D466 PolarHBondContact O-N 2.81Å; K464-N472 WeakPolarHBondContact CB-ND2 3.43Å; K464-N472 PolarHBondContact O-ND2 3.16Å
465	Y	96.4	Very high	95.9	Very high	26 Å²	26	45.5 Å²	45.5	10%	0.102	21%	0.211	C	C	.	.			trans	-63	123.4	177.7	173.6	-120.3	0	0	0	111.2	A418 H419 K422 I461 H462 P467 H471 N472 D473	A418-Y465 HydrophobicContact CB-CD1 3.79Å; A418-Y465 HydrophobicContact CB-CD2 3.52Å; A418-Y465 HydrophobicContact CB-CE1 3.91Å; A418-Y465 HydrophobicContact CB-CE2 3.67Å; A418-Y465 HydrophobicContact CB-CG 3.59Å; H419-Y465 WeakPolarHBondContact CA-OH 3.47Å; H419-Y465 WeakPolarHBondContact CB-OH 3.14Å; K422-Y465 HydrophobicContact CB-CE1 4.38Å; I461-Y465 HydrophobicContact CG2-CD1 3.86Å; I461-Y465 HydrophobicContact CG2-CG 3.96Å; H462-Y465 VanDerWaalsContact O-CB 3.25Å; H462-Y465 WeakPolarHBondContact O-CB 3.46Å; H462-Y465 PolarHBondContact O-N 2.93Å; Y465-P467 HydrophobicContact CE1-CB 3.78Å; Y465-P467 HydrophobicContact CE1-CG 4.31Å; Y465-P467 WeakPolarHBondContact OH-CA 3.09Å; Y465-H471 WeakPolarHBondContact CA-O 3.4Å; Y465-H471 VanDerWaalsContact CD2-O 3.3Å; Y465-H471 WeakPolarHBondContact CD2-O 3.28Å; Y465-N472 WeakPolarHBondContact CD2-O 3.46Å; Y465-D473 HydrophobicContact CD2-CB 4.35Å; Y465-D473 HydrophobicContact CE2-CB 3.95Å
466	D	94.6	Very high	96	Very high	54 Å²	54	43.4 Å²	43.4	29%	0.289	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-111.4	106.6	172.5	-177.4	-6.9	0	0	0	109.8	K464 K468 Q469 F470 H471	K464-D466 PolarHBondContact O-N 2.81Å; D466-K468 PolarHBondContact O-N 2.83Å; D466-K468 VanDerWaalsContact OD1-CB 3.28Å; D466-K468 WeakPolarHBondContact OD1-CB 3.21Å; D466-K468 PolarHBondContact OD1-N 2.93Å; D466-Q469 HydrophobicContact CB-CB 4.41Å; D466-Q469 PolarHBondContact O-N 2.84Å; D466-Q469 PolarHBondContact OD1-N 2.76Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.23Å; D466-F470 VanDerWaalsContact O-CA 3.26Å; D466-F470 WeakPolarHBondContact O-CA 3.32Å; D466-F470 PolarHBondContact O-N 3.02Å; D466-H471 HydrophobicContact CB-CB 4.08Å; D466-H471 PolarHBondContact N-O 2.99Å; D466-H471 PolarHBondContact O-N 3.06Å
467	P	92.4	Very high	96.1	Very high	24 Å²	24	43.4 Å²	43.4	16%	0.156	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.4	179.6	27.2	-33.8	0	0	0	114	A425 Y465	A425-P467 HydrophobicContact CB-CG 4.14Å; Y465-P467 HydrophobicContact CE1-CB 3.78Å; Y465-P467 HydrophobicContact CE1-CG 4.31Å; Y465-P467 WeakPolarHBondContact OH-CA 3.09Å
468	K	91.1	Very high	96.1	Very high	161 Å²	161	40.4 Å²	40.4	70%	0.7	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-40.7	177.4	-174.5	180	176.9	-177.7	0	111.7	D466	D466-K468 PolarHBondContact O-N 2.83Å; D466-K468 VanDerWaalsContact OD1-CB 3.28Å; D466-K468 WeakPolarHBondContact OD1-CB 3.21Å; D466-K468 PolarHBondContact OD1-N 2.93Å
469	Q	91.2	Very high	96.2	Very high	41 Å²	41	39.5 Å²	39.5	19%	0.192	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-6.6	-177.2	-58.1	-70.6	-21.7	0	0	113.2	D466 H471 I545	D466-Q469 HydrophobicContact CB-CB 4.41Å; D466-Q469 PolarHBondContact O-N 2.84Å; D466-Q469 PolarHBondContact OD1-N 2.76Å; D466-Q469 WeakPolarHBondContact OD2-CG 3.23Å; Q469-H471 VanDerWaalsContact CB-CE1 3.47Å; Q469-H471 WeakPolarHBondContact CB-CE1 3.13Å; Q469-H471 WeakPolarHBondContact CB-NE2 3.16Å; Q469-H471 PolarHBondContact O-N 3.33Å; Q469-I545 WeakPolarHBondContact O-CD1 3.5Å
470	F	92.5	Very high	96.1	Very high	60 Å²	60	42 Å²	42	26%	0.263	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	23.7	-171.3	-62.8	-97.1	0	0	0	113.6	D466 I545 F588	D466-F470 VanDerWaalsContact O-CA 3.26Å; D466-F470 WeakPolarHBondContact O-CA 3.32Å; D466-F470 PolarHBondContact O-N 3.02Å; F470-I545 HydrophobicContact CD2-CD1 4.16Å; F470-F588 HydrophobicContact CB-CD1 3.5Å; F470-F588 VanDerWaalsContact CB-CD1 3.5Å; F470-F588 HydrophobicContact CB-CE1 3.63Å; F470-F588 HydrophobicContact CB-CG 4.25Å; F470-F588 HydrophobicContact CB-CZ 4.45Å; F470-F588 HydrophobicContact CD1-CB 3.89Å; F470-F588 HydrophobicContact CD1-CD1 4.01Å; F470-F588 HydrophobicContact CD1-CG 4.18Å; F470-F588 HydrophobicContact CD2-CB 4.32Å; F470-F588 HydrophobicContact CD2-CD1 4.18Å; F470-F588 HydrophobicContact CD2-CD2 4.44Å; F470-F588 HydrophobicContact CD2-CG 4.08Å; F470-F588 HydrophobicContact CE1-CB 3.9Å; F470-F588 HydrophobicContact CE2-CB 4.33Å; F470-F588 HydrophobicContact CE2-CG 4.49Å; F470-F588 HydrophobicContact CG-CB 4.11Å; F470-F588 AromaticContact CG-CD1 3.64Å; F470-F588 HydrophobicContact CG-CD1 3.64Å; F470-F588 HydrophobicContact CG-CE1 4.2Å; F470-F588 AromaticContact CG-CG 3.92Å; F470-F588 HydrophobicContact CG-CG 3.92Å; F470-F588 HydrophobicContact CZ-CB 4.13Å
471	H	95.5	Very high	96.1	Very high	26 Å²	26	42.1 Å²	42.1	12%	0.12	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-67.4	135.7	174.4	-63.1	162.8	0	0	0	109.8	Y465 D466 Q469 D473 T546 Y548 Q551	Y465-H471 WeakPolarHBondContact CA-O 3.4Å; Y465-H471 VanDerWaalsContact CD2-O 3.3Å; Y465-H471 WeakPolarHBondContact CD2-O 3.28Å; D466-H471 HydrophobicContact CB-CB 4.08Å; D466-H471 PolarHBondContact N-O 2.99Å; D466-H471 PolarHBondContact O-N 3.06Å; Q469-H471 VanDerWaalsContact CB-CE1 3.47Å; Q469-H471 WeakPolarHBondContact CB-CE1 3.13Å; Q469-H471 WeakPolarHBondContact CB-NE2 3.16Å; Q469-H471 PolarHBondContact O-N 3.33Å; H471-D473 VanDerWaalsContact C-N 3.31Å; H471-D473 PolarHBondContact O-N 3.3Å; H471-T546 PolarHBondContact NE2-O 2.6Å; H471-Y548 AromaticContact CE1-CE2 3.45Å; H471-Y548 VanDerWaalsContact CE1-CE2 3.45Å; H471-Y548 WeakPolarHBondContact CE1-CE2 3.19Å; H471-Y548 AromaticContact NE2-CD2 3.78Å; H471-Y548 AromaticContact NE2-CE2 3.54Å; H471-Q551 VanDerWaalsContact CB-OE1 3.32Å; H471-Q551 PolarHBondContact CD2-OE1 2.84Å
472	N	97.1	Very high	96	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.08	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	43.4	179.2	-44.4	-78.3	0	0	0	113.7	H462 K464 Y465 I474 Y606	H462-N472 HydrophobicContact CB-CB 4.01Å; H462-N472 WeakPolarHBondContact ND1-CB 3.36Å; K464-N472 WeakPolarHBondContact CB-ND2 3.43Å; K464-N472 PolarHBondContact O-ND2 3.16Å; Y465-N472 WeakPolarHBondContact CD2-O 3.46Å; N472-I474 PolarHBondContact O-N 3.17Å; N472-Y606 WeakPolarHBondContact CA-OH 3.48Å; N472-Y606 HydrophobicContact CB-CE1 4.17Å; N472-Y606 PolarHBondContact OD1-OH 3.01Å
473	D	97.7	Very high	95.8	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.011	19%	0.187	C	C	.	.			trans	-74.2	62.7	-179.5	-171.6	25.8	0	0	0	112.9	A418 H419 Y465 H471 S587 A601	A418-D473 WeakPolarHBondContact CA-OD1 3.28Å; A418-D473 WeakPolarHBondContact CB-OD1 3.35Å; A418-D473 PolarHBondContact N-OD1 3.5Å; H419-D473 IonicContact CE1-OD2 3.42Å; H419-D473 IonicContact CG-OD1 2.85Å; H419-D473 IonicContact CG-OD2 3.57Å; H419-D473 PolarHBondContact N-OD1 3.32Å; H419-D473 IonicContact ND1-OD1 3.83Å; H419-D473 PolarHBondContact ND1-OD1 3.31Å; H419-D473 IonicContact ND1-OD2 3.49Å; H419-D473 PolarHBondContact ND1-OD2 2.83Å; Y465-D473 HydrophobicContact CD2-CB 4.35Å; Y465-D473 HydrophobicContact CE2-CB 3.95Å; H471-D473 VanDerWaalsContact C-N 3.31Å; H471-D473 PolarHBondContact O-N 3.3Å; D473-S587 WeakPolarHBondContact CB-OG 3.41Å; D473-S587 WeakPolarHBondContact OD2-CA 3.44Å; D473-S587 WeakPolarHBondContact OD2-CB 3.06Å; D473-S587 PolarHBondContact OD2-OG 2.66Å; D473-A601 WeakPolarHBondContact O-CB 3.25Å
474	I	98.4	Very high	95.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.165	C	C	.	.			trans	-138.9	141	-177	-164.1	168.9	0	0	0	110.8	L415 H462 N472 A601 Y606 W609 I610	L415-I474 HydrophobicContact CD1-CD1 3.99Å; L415-I474 HydrophobicContact CD1-CG1 3.87Å; H462-I474 HydrophobicContact CB-CG2 3.87Å; H462-I474 PolarHBondContact N-O 3.12Å; N472-I474 PolarHBondContact O-N 3.17Å; I474-A601 HydrophobicContact CB-CB 4.44Å; I474-Y606 HydrophobicContact CD1-CD2 3.73Å; I474-Y606 HydrophobicContact CD1-CG 3.81Å; I474-Y606 HydrophobicContact CG2-CD1 3.76Å; I474-Y606 HydrophobicContact CG2-CD2 4.28Å; I474-Y606 HydrophobicContact CG2-CE1 3.92Å; I474-Y606 HydrophobicContact CG2-CE2 4.46Å; I474-Y606 HydrophobicContact CG2-CG 3.96Å; I474-W609 HydrophobicContact CG2-CZ3 4.29Å; I474-I610 HydrophobicContact CD1-CD1 4.46Å
475	A	98.4	Very high	95.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.4	176.9	0	0	0	0	0	111.9	T416 L421 K460 I461 L477	T416-A475 HydrophobicContact CG2-CB 4.18Å; T416-A475 PolarHBondContact N-O 3.11Å; T416-A475 PolarHBondContact O-N 2.57Å; L421-A475 HydrophobicContact CD1-CB 3.58Å; L421-A475 HydrophobicContact CG-CB 4.49Å; K460-A475 CarbonylContact O-C 3.47Å; K460-A475 VanDerWaalsContact O-CA 3.26Å; K460-A475 WeakPolarHBondContact O-CA 3.35Å; K460-A475 WeakPolarHBondContact O-CB 3.28Å; I461-A475 HydrophobicContact CG1-CB 4.32Å; A475-L477 HydrophobicContact CB-CD1 4.36Å
476	L	98.5	Very high	94.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.2	176.8	-174.7	68.1	0	0	0	109.8	I403 L413 L415 Y459 K460 W609 I610 Q613 D614 L617	I403-L476 HydrophobicContact CD1-CD1 3.77Å; L413-L476 HydrophobicContact CB-CD1 4.46Å; L413-L476 HydrophobicContact CD2-CD1 4.2Å; L413-L476 HydrophobicContact CD2-CD2 4.32Å; L413-L476 HydrophobicContact CD2-CG 4.37Å; L415-L476 HydrophobicContact CD1-CD1 4.48Å; Y459-L476 CarbonylContact C-O 3.52Å; Y459-L476 WeakPolarHBondContact CA-O 3.46Å; Y459-L476 WeakPolarHBondContact CB-O 3.28Å; K460-L476 PolarHBondContact N-O 3.23Å; K460-L476 PolarHBondContact O-N 2.84Å; L476-W609 HydrophobicContact CB-CH2 4.06Å; L476-W609 HydrophobicContact CB-CZ3 4.06Å; L476-I610 HydrophobicContact CD1-CG2 4.27Å; L476-Q613 HydrophobicContact CD2-CB 3.74Å; L476-D614 HydrophobicContact CD2-CB 4.42Å; L476-L617 HydrophobicContact CD2-CD1 4.26Å; L476-L617 HydrophobicContact CG-CD1 4.46Å
477	L	98.2	Very high	94.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.1	178.7	-74.4	57.6	0	0	0	109.2	L384 L413 V414 T416 L421 V437 V456 A475	L384-L477 HydrophobicContact CD2-CD2 3.65Å; L384-L477 HydrophobicContact CG-CD2 4.38Å; L413-L477 WeakPolarHBondContact CA-O 3.5Å; V414-L477 HydrophobicContact CB-CB 4.09Å; V414-L477 HydrophobicContact CG1-CD2 4.29Å; V414-L477 PolarHBondContact N-O 3.38Å; V414-L477 PolarHBondContact O-N 2.99Å; T416-L477 HydrophobicContact CG2-CD1 3.41Å; T416-L477 VanDerWaalsContact CG2-CD1 3.41Å; T416-L477 HydrophobicContact CG2-CD2 4.36Å; L421-L477 HydrophobicContact CD1-CD1 3.91Å; V437-L477 HydrophobicContact CG2-CD2 4.48Å; V456-L477 HydrophobicContact CG1-CB 4.32Å; V456-L477 HydrophobicContact CG1-CG 4.27Å; V456-L477 HydrophobicContact CG2-CD2 3.9Å; V456-L477 HydrophobicContact CG2-CG 4.46Å; A475-L477 HydrophobicContact CB-CD1 4.36Å
478	K	97.7	Very high	93.8	Very high	11 Å²	11	26 Å²	26	5%	0.048	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.2	163	-77.6	-143.1	169.4	-135.7	0	110.7	D412 L413 Q457 S458 D614 L617 P618	D412-K478 CarbonylContact O-C 3.54Å; D412-K478 VanDerWaalsContact O-CA 3.32Å; D412-K478 WeakPolarHBondContact O-CA 3.21Å; D412-K478 IonicContact OD1-NZ 2.8Å; D412-K478 IonicContact OD2-NZ 2.85Å; D412-K478 PolarHBondContact OD2-NZ 3.11Å; L413-K478 HydrophobicContact CD2-CD 4.48Å; L413-K478 HydrophobicContact CD2-CG 3.99Å; Q457-K478 PolarHBondContact N-O 2.95Å; S458-K478 PolarHBondContact N-O 3.21Å; S458-K478 PolarHBondContact O-N 3.42Å; K478-D614 WeakPolarHBondContact CE-O 3.34Å; K478-D614 WeakPolarHBondContact CE-OD1 3.41Å; K478-D614 IonicContact NZ-OD1 2.67Å; K478-D614 PolarHBondContact NZ-OD1 2.83Å; K478-L617 HydrophobicContact CD-CB 3.7Å; K478-L617 HydrophobicContact CG-CB 3.77Å; K478-L617 HydrophobicContact CG-CD1 3.96Å; K478-P618 VanDerWaalsContact CD-O 3.22Å; K478-P618 WeakPolarHBondContact CD-O 3.4Å
479	L	97.8	Very high	93.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	147.6	178.6	-58.8	179.7	0	0	0	111.1	L402 D412 V414 V437 V454 K481 V483	L402-L479 HydrophobicContact CD2-CD1 4.44Å; D412-L479 WeakPolarHBondContact O-CG 3.03Å; D412-L479 PolarHBondContact O-N 3.12Å; V414-L479 HydrophobicContact CG2-CD1 4.04Å; V414-L479 HydrophobicContact CG2-CD2 4.05Å; V414-L479 HydrophobicContact CG2-CG 4.2Å; V437-L479 HydrophobicContact CB-CD2 3.98Å; V437-L479 HydrophobicContact CG1-CD2 4.23Å; V437-L479 HydrophobicContact CG2-CD2 3.75Å; V454-L479 HydrophobicContact CG1-CD1 3.95Å; V454-L479 HydrophobicContact CG1-CD2 4.08Å; V454-L479 HydrophobicContact CG1-CG 4.46Å; V454-L479 HydrophobicContact CG2-CB 4.03Å; L479-K481 WeakPolarHBondContact CB-O 3.3Å; L479-K481 PolarHBondContact O-N 2.93Å; L479-V483 HydrophobicContact CD1-CG2 3.67Å
480	E	96.6	Very high	93.8	Very high	85 Å²	85	17 Å²	17	40%	0.397	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-26.4	174.9	-73.6	-174.6	176	0	0	113	M455 Q457 T620	M455-E480 VanDerWaalsContact CB-CD 3.48Å; M455-E480 HydrophobicContact CB-CG 4.08Å; M455-E480 WeakPolarHBondContact CB-OE2 3.36Å; M455-E480 PolarHBondContact O-N 2.86Å; Q457-E480 HydrophobicContact CB-CB 4.49Å; Q457-E480 HydrophobicContact CB-CG 3.87Å; E480-T620 PolarHBondContact O-OG1 2.69Å
481	K	96.2	Very high	94	Very high	65 Å²	65	14.3 Å²	14.3	28%	0.283	7%	0.068	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134	178.8	-56.8	-173.7	-179.7	-171.8	0	110.1	V454 L479 V483 E622 F624	V454-K481 HydrophobicContact CG2-CB 4.11Å; L479-K481 WeakPolarHBondContact CB-O 3.3Å; L479-K481 PolarHBondContact O-N 2.93Å; K481-V483 PolarHBondContact O-N 3.43Å; K481-E622 CarbonylContact C-O 3.59Å; K481-E622 VanDerWaalsContact CA-O 3.32Å; K481-E622 WeakPolarHBondContact CA-O 3.38Å; K481-E622 WeakPolarHBondContact CE-OE2 3.22Å; K481-E622 HydrophobicContact CG-CB 3.96Å; K481-E622 IonicContact NZ-OE2 3.62Å; K481-F624 HydrophobicContact CB-CB 4.05Å; K481-F624 HydrophobicContact CB-CD2 4.34Å; K481-F624 HydrophobicContact CD-CD2 4.46Å
482	A	95.4	Very high	94.1	Very high	10 Å²	10	13 Å²	13	8%	0.083	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.1	175.5	0	0	0	0	0	109.6	R410 T411 D412 P484 T620 E622 F624	R410-A482 HydrophobicContact CB-CB 4.31Å; R410-A482 HydrophobicContact CG-CB 4.18Å; T411-A482 CarbonylContact O-C 3.15Å; T411-A482 WeakPolarHBondContact O-CA 3.21Å; D412-A482 HydrophobicContact CB-CB 4.42Å; A482-P484 VanDerWaalsContact O-CD 3.31Å; A482-P484 WeakPolarHBondContact O-CD 3.47Å; A482-T620 HydrophobicContact CB-CG2 3.69Å; A482-E622 PolarHBondContact N-O 3.12Å; A482-F624 WeakPolarHBondContact O-CB 3.39Å; A482-F624 PolarHBondContact O-N 3.4Å
483	V	94.3	Very high	94.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	114.4	180	179.6	0	0	0	0	108.6	L402 R410 T411 V439 V454 L479 K481 T489 L629	L402-V483 HydrophobicContact CD1-CG1 4.41Å; R410-V483 CarbonylContact C-O 2.84Å; R410-V483 WeakPolarHBondContact CA-O 3.15Å; R410-V483 WeakPolarHBondContact CB-O 3.2Å; T411-V483 PolarHBondContact N-O 2.67Å; T411-V483 PolarHBondContact O-N 3.16Å; V439-V483 HydrophobicContact CG1-CG2 4.16Å; V439-V483 HydrophobicContact CG2-CG1 4.17Å; V439-V483 HydrophobicContact CG2-CG2 4.34Å; V454-V483 HydrophobicContact CG1-CG2 4.42Å; L479-V483 HydrophobicContact CD1-CG2 3.67Å; K481-V483 PolarHBondContact O-N 3.43Å; V483-T489 HydrophobicContact CG1-CG2 3.83Å; V483-L629 HydrophobicContact CG1-CD1 4.09Å
484	P	91.7	Very high	94.1	Very high	8 Å²	8	14.1 Å²	14.1	5%	0.052	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	148.9	175.9	29.1	-33.8	0	0	0	111.1	A482 T489 E623 Y626 L629	A482-P484 VanDerWaalsContact O-CD 3.31Å; A482-P484 WeakPolarHBondContact O-CD 3.47Å; P484-T489 PolarHBondContact O-OG1 2.85Å; P484-E623 HydrophobicContact CG-CG 4.38Å; P484-Y626 HydrophobicContact CB-CD2 3.97Å; P484-Y626 HydrophobicContact CB-CE2 4.46Å; P484-Y626 HydrophobicContact CG-CD2 3.65Å; P484-Y626 HydrophobicContact CG-CE2 4.47Å; P484-L629 HydrophobicContact CG-CD1 3.75Å
485	F	88.8	Confident	94	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.026	7%	0.07	C	C	.	.			trans	-78	138.8	178.2	-59.1	-22.1	0	0	0	111.4	Y346 G408 N409 R410 T411 T489 P491	Y346-F485 HydrophobicContact CD2-CB 4.28Å; Y346-F485 HydrophobicContact CE2-CB 4.38Å; Y346-F485 HydrophobicContact CG-CB 4.33Å; G408-F485 VanDerWaalsContact O-CE2 3.25Å; G408-F485 WeakPolarHBondContact O-CE2 3.2Å; N409-F485 VanDerWaalsContact C-CD2 3.4Å; N409-F485 WeakPolarHBondContact O-CG 3.46Å; N409-F485 PolarHBondContact O-N 3.25Å; R410-F485 VanDerWaalsContact C-CZ 3.49Å; T411-F485 HydrophobicContact CG2-CE1 3.73Å; T411-F485 HydrophobicContact CG2-CZ 4.29Å; F485-T489 CarbonylContact C-O 3.53Å; F485-T489 WeakPolarHBondContact CA-O 3.13Å; F485-P491 HydrophobicContact CE1-CG 4.06Å; F485-P491 HydrophobicContact CE2-CG 3.93Å; F485-P491 HydrophobicContact CZ-CB 4.36Å; F485-P491 HydrophobicContact CZ-CG 3.57Å
486	S	84.8	Confident	94	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.021	10%	0.103	C	C	.	.			trans	-147.1	-169.5	-178	73.1	0	0	0	0	110.4	I488 T489 R490	S486-I488 PolarHBondContact O-N 3.37Å; S486-I488 PolarHBondContact OG-N 3.28Å; S486-I488 VanDerWaalsContact OG-N 3.11Å; S486-T489 PolarHBondContact N-O 2.99Å; S486-T489 PolarHBondContact N-OG1 3.23Å; S486-T489 PolarHBondContact OG-N 3.43Å; S486-T489 VanDerWaalsContact OG-N 3.13Å; S486-T489 PolarHBondContact OG-OG1 3.49Å; S486-R490 WeakPolarHBondContact O-CG 3.44Å; S486-R490 PolarHBondContact O-NE 2.89Å
487	E	81.3	Confident	93.9	Very high	46 Å²	46	23.9 Å²	23.9	22%	0.215	12%	0.115	C	C	.	.	S	Bend	trans	-67.3	-20.7	170.6	-63.2	-52.2	115.8	0	0	112.9	S352 Y355 R490	S352-E487 VanDerWaalsContact CB-O 3.32Å; S352-E487 WeakPolarHBondContact CB-O 3.22Å; S352-E487 WeakPolarHBondContact CB-OE2 3.41Å; S352-E487 PolarHBondContact OG-OE2 3.43Å; Y355-E487 HydrophobicContact CD2-CB 4.48Å; Y355-E487 HydrophobicContact CE2-CB 4.04Å; E487-R490 IonicContact OE1-CZ 3.72Å; E487-R490 IonicContact OE1-NH2 3.28Å; E487-R490 PolarHBondContact OE1-NH2 2.96Å; E487-R490 IonicContact OE2-NH2 2.98Å; E487-R490 PolarHBondContact OE2-NH2 2.77Å
488	I	87	Confident	93.8	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	14%	0.14	C	C	.	.	S	Bend	trans	-115.8	-5.8	-175.6	74	173.3	0	0	0	113.8	Y355 H376 P379 G440 S486 L629	Y355-I488 HydrophobicContact CE2-CG2 3.92Å; H376-I488 HydrophobicContact CB-CB 4.04Å; H376-I488 HydrophobicContact CB-CG2 3.63Å; P379-I488 WeakPolarHBondContact CA-O 3.29Å; G440-I488 VanDerWaalsContact CA-O 3.31Å; G440-I488 WeakPolarHBondContact CA-O 3.23Å; S486-I488 PolarHBondContact O-N 3.37Å; S486-I488 PolarHBondContact OG-N 3.28Å; S486-I488 VanDerWaalsContact OG-N 3.11Å; I488-L629 WeakPolarHBondContact CD1-O 3.21Å
489	T	91.3	Very high	93.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.			trans	-132.8	107.9	177.8	48.4	0	0	0	0	110	P379 V439 V483 P484 F485 S486 L629	P379-T489 WeakPolarHBondContact O-CA 3.33Å; V439-T489 HydrophobicContact CB-CG2 4.23Å; V439-T489 HydrophobicContact CG2-CG2 4.27Å; V483-T489 HydrophobicContact CG1-CG2 3.83Å; P484-T489 PolarHBondContact O-OG1 2.85Å; F485-T489 CarbonylContact C-O 3.53Å; F485-T489 WeakPolarHBondContact CA-O 3.13Å; S486-T489 PolarHBondContact N-O 2.99Å; S486-T489 PolarHBondContact N-OG1 3.23Å; S486-T489 PolarHBondContact OG-N 3.43Å; S486-T489 VanDerWaalsContact OG-N 3.13Å; S486-T489 PolarHBondContact OG-OG1 3.49Å; T489-L629 HydrophobicContact CG2-CD1 4.15Å; T489-L629 HydrophobicContact CG2-CD2 3.95Å
490	R	91.7	Very high	93.6	Very high	15 Å²	15	38.3 Å²	38.3	6%	0.057	19%	0.185	C	C	.	.			trans	-149.1	151.8	177.3	-61.4	-176.9	-177.6	172.1	-1.1	109.4	V350 P351 P379 W380 S486 E487	V350-R490 WeakPolarHBondContact O-CD 3.38Å; V350-R490 PolarHBondContact O-NH1 3.2Å; P351-R490 PolarHBondContact O-NH1 2.8Å; P351-R490 VanDerWaalsContact O-NH1 3.11Å; P379-R490 CarbonylContact C-O 3.54Å; P379-R490 HydrophobicContact CB-CB 4.05Å; P379-R490 HydrophobicContact CB-CG 4.25Å; P379-R490 HydrophobicContact CG-CB 3.83Å; P379-R490 HydrophobicContact CG-CG 4.2Å; P379-R490 PolarHBondContact O-N 3.32Å; W380-R490 WeakPolarHBondContact CA-O 3.46Å; W380-R490 WeakPolarHBondContact CB-O 3.35Å; W380-R490 PolarHBondContact N-O 3.23Å; S486-R490 WeakPolarHBondContact O-CG 3.44Å; S486-R490 PolarHBondContact O-NE 2.89Å; E487-R490 IonicContact OE1-CZ 3.72Å; E487-R490 IonicContact OE1-NH2 3.28Å; E487-R490 PolarHBondContact OE1-NH2 2.96Å; E487-R490 IonicContact OE2-NH2 2.98Å; E487-R490 PolarHBondContact OE2-NH2 2.77Å
491	P	95.7	Very high	93.5	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.013	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-79.6	150.6	179.7	32.6	-32	0	0	0	111.4	C348 G349 L402 Q404 F485	C348-P491 CarbonylContact C-O 3.56Å; C348-P491 WeakPolarHBondContact CA-O 3.5Å; C348-P491 HydrophobicContact CB-CG 4.25Å; G349-P491 PolarHBondContact N-O 3.39Å; L402-P491 CarbonylContact O-C 3.51Å; L402-P491 WeakPolarHBondContact O-CA 3.19Å; Q404-P491 HydrophobicContact CB-CB 3.87Å; Q404-P491 HydrophobicContact CB-CG 3.92Å; F485-P491 HydrophobicContact CE1-CG 4.06Å; F485-P491 HydrophobicContact CE2-CG 3.93Å; F485-P491 HydrophobicContact CZ-CB 4.36Å; F485-P491 HydrophobicContact CZ-CG 3.57Å
492	V	97.3	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-78.8	151.5	163.5	66.9	0	0	0	0	109.4	W380 L402 I403 I573 W580 Q582	W380-V492 HydrophobicContact CB-CB 3.97Å; W380-V492 HydrophobicContact CB-CG1 4.46Å; W380-V492 HydrophobicContact CD2-CB 3.9Å; W380-V492 HydrophobicContact CD2-CG2 4.35Å; W380-V492 HydrophobicContact CE3-CB 4.3Å; W380-V492 HydrophobicContact CG-CB 3.74Å; L402-V492 PolarHBondContact O-N 3.01Å; I403-V492 HydrophobicContact CG2-CG1 4.03Å; V492-I573 HydrophobicContact CG2-CG2 3.82Å; V492-W580 HydrophobicContact CG2-CB 4.48Å; V492-W580 WeakPolarHBondContact CG2-O 3.42Å; V492-Q582 HydrophobicContact CG1-CB 3.85Å; V492-Q582 VanDerWaalsContact CG1-OE1 3.25Å; V492-Q582 HydrophobicContact CG2-CB 4.03Å
493	C	97.1	Very high	93.6	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.041	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-71.9	145.3	173.2	-63.8	0	0	0	0	110.7	C348 W580 V581 Q582	C348-C493 HydrophobicContact CB-CB 3.97Å; C348-C493 WeakPolarHBondContact CB-SG 3.49Å; C348-C493 PolarHBondContact O-SG 2.6Å; C348-C493 WeakPolarHBondContact SG-CA 3.38Å; C348-C493 WeakPolarHBondContact SG-CB 3.48Å; C348-C493 CovalentContact SG-SG 2.05Å; C348-C493 PolarHBondContact SG-SG 3.17Å; C493-W580 WeakPolarHBondContact CB-O 3.39Å; C493-W580 PolarHBondContact N-O 3.02Å; C493-W580 VanDerWaalsContact N-O 3.15Å; C493-V581 HydrophobicContact CB-CB 4.47Å; C493-V581 HydrophobicContact CB-CG2 3.99Å; C493-V581 WeakPolarHBondContact O-CA 3.33Å; C493-Q582 PolarHBondContact O-N 3.22Å
494	L	97.8	Very high	93.6	Very high	34 Å²	34	44.6 Å²	44.6	18%	0.178	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-89.4	147.6	165.9	-64.8	175.4	0	0	0	109.3	I403 V405 L415 V603 I607 I610	I403-L494 HydrophobicContact CB-CD2 4.32Å; I403-L494 HydrophobicContact CB-CG 4.48Å; I403-L494 HydrophobicContact CD1-CD1 4.25Å; I403-L494 HydrophobicContact CG2-CD2 3.94Å; V405-L494 HydrophobicContact CG1-CD1 3.95Å; L415-L494 HydrophobicContact CD2-CD2 4.4Å; L494-V603 HydrophobicContact CD2-CG1 4.08Å; L494-I607 HydrophobicContact CB-CD1 3.95Å; L494-I607 HydrophobicContact CD1-CD1 4.47Å; L494-I610 HydrophobicContact CD1-CG2 4.35Å
495	P	97.4	Very high	93.8	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.032	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-68.9	167.1	169.7	29.6	-34.4	0	0	0	110.8	E499 V581 Q582 F583 V603 I607	P495-E499 VanDerWaalsContact CA-OE2 3.27Å; P495-E499 WeakPolarHBondContact CA-OE2 3.45Å; P495-E499 HydrophobicContact CB-CB 4.05Å; P495-E499 VanDerWaalsContact CB-OE2 3.3Å; P495-E499 WeakPolarHBondContact CB-OE2 3.47Å; P495-V581 HydrophobicContact CB-CG1 3.89Å; P495-V581 HydrophobicContact CG-CG1 4.45Å; P495-Q582 WeakPolarHBondContact CD-O 3.32Å; P495-F583 HydrophobicContact CB-CD1 4.3Å; P495-F583 HydrophobicContact CB-CE1 3.85Å; P495-F583 HydrophobicContact CB-CZ 4.06Å; P495-V603 HydrophobicContact CG-CB 4.41Å; P495-V603 HydrophobicContact CG-CG1 4.11Å; P495-I607 HydrophobicContact CG-CD1 4.09Å; P495-I607 WeakPolarHBondContact O-CD1 3.5Å; P495-I607 WeakPolarHBondContact O-CG1 3.29Å
496	E	96.7	Very high	94	Very high	145 Å²	145	50 Å²	50	68%	0.678	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-69.8	160.6	166.4	-61.1	-62.8	155.9	0	0	110.7	D498 E499	E496-D498 PolarHBondContact O-N 3.41Å; E496-E499 HydrophobicContact CB-CB 4.21Å; E496-E499 PolarHBondContact N-OE2 3.34Å; E496-E499 VanDerWaalsContact O-CB 3.3Å; E496-E499 WeakPolarHBondContact O-CB 3.34Å; E496-E499 PolarHBondContact O-N 3.15Å; E496-E499 VanDerWaalsContact O-N 3.14Å
497	Q	97.4	Very high	94.4	Very high	54 Å²	54	49.8 Å²	49.8	25%	0.252	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	130.2	175	-179.1	63.6	48.9	0	0	109.6	E499 S604 I607 E608	Q497-E499 PolarHBondContact O-N 2.8Å; Q497-E499 VanDerWaalsContact O-N 3.16Å; Q497-S604 WeakPolarHBondContact CA-O 3.12Å; Q497-S604 PolarHBondContact NE2-O 2.99Å; Q497-I607 HydrophobicContact CB-CB 4.36Å; Q497-E608 HydrophobicContact CG-CG 4.24Å
498	D	96.2	Very high	95	Very high	99 Å²	99	47.7 Å²	47.7	53%	0.529	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	17.3	-178.4	-49.5	-39.4	0	0	0	114.8	E496 E500 S604	E496-D498 PolarHBondContact O-N 3.41Å; D498-E500 PolarHBondContact O-N 3.33Å; D498-S604 PolarHBondContact N-O 3.1Å
499	E	96.8	Very high	95.3	Very high	48 Å²	48	47.4 Å²	47.4	22%	0.224	25%	0.251	C	S	.	.			trans	-62.5	125.9	174.8	-168.9	180	168.2	0	0	111.2	P495 E496 Q497 Q576 F583 S604	P495-E499 VanDerWaalsContact CA-OE2 3.27Å; P495-E499 WeakPolarHBondContact CA-OE2 3.45Å; P495-E499 HydrophobicContact CB-CB 4.05Å; P495-E499 VanDerWaalsContact CB-OE2 3.3Å; P495-E499 WeakPolarHBondContact CB-OE2 3.47Å; E496-E499 HydrophobicContact CB-CB 4.21Å; E496-E499 PolarHBondContact N-OE2 3.34Å; E496-E499 VanDerWaalsContact O-CB 3.3Å; E496-E499 WeakPolarHBondContact O-CB 3.34Å; E496-E499 PolarHBondContact O-N 3.15Å; E496-E499 VanDerWaalsContact O-N 3.14Å; Q497-E499 PolarHBondContact O-N 2.8Å; Q497-E499 VanDerWaalsContact O-N 3.16Å; E499-Q576 PolarHBondContact OE1-NE2 3.5Å; E499-Q576 PolarHBondContact OE1-OE1 3Å; E499-F583 HydrophobicContact CB-CE1 4.34Å; E499-F583 HydrophobicContact CG-CE1 4.07Å; E499-F583 HydrophobicContact CG-CZ 4.21Å; E499-S604 VanDerWaalsContact O-CB 3.22Å; E499-S604 WeakPolarHBondContact O-CB 3.39Å; E499-S604 PolarHBondContact O-OG 3.5Å
500	E	94.1	Very high	95.3	Very high	167 Å²	167	47.5 Å²	47.5	78%	0.78	25%	0.252	S	S	*	.			trans	-90.2	151.1	175.9	-67.1	-174.1	174.9	0	0	111.6	D498	D498-E500 PolarHBondContact O-N 3.33Å
501	I	95.2	Very high	95.4	Very high	21 Å²	21	46.9 Å²	46.9	11%	0.108	25%	0.25	C	C	.	.			trans	-119.5	132.4	173.2	-174.8	156.7	0	0	0	110.2	V503 T505 V533 L553 C574 F583	I501-V503 PolarHBondContact O-N 3.07Å; I501-T505 HydrophobicContact CD1-CG2 3.89Å; I501-T505 HydrophobicContact CG1-CG2 4.13Å; I501-V533 HydrophobicContact CD1-CG2 4.21Å; I501-V533 HydrophobicContact CG1-CG2 4.21Å; I501-V533 HydrophobicContact CG2-CG1 4.25Å; I501-V533 HydrophobicContact CG2-CG2 4.16Å; I501-L553 HydrophobicContact CG2-CD1 3.85Å; I501-L553 HydrophobicContact CG2-CD2 4.18Å; I501-C574 HydrophobicContact CD1-CB 3.35Å; I501-C574 WeakPolarHBondContact CD1-SG 3.47Å; I501-F583 HydrophobicContact CB-CD1 3.9Å; I501-F583 HydrophobicContact CB-CE1 3.95Å; I501-F583 HydrophobicContact CB-CG 4.25Å; I501-F583 HydrophobicContact CB-CZ 4.35Å; I501-F583 HydrophobicContact CD1-CD1 4.38Å; I501-F583 HydrophobicContact CD1-CD2 3.64Å; I501-F583 HydrophobicContact CD1-CE2 3.89Å; I501-F583 HydrophobicContact CD1-CG 3.9Å; I501-F583 HydrophobicContact CD1-CZ 4.38Å; I501-F583 HydrophobicContact CG2-CD1 4.02Å; I501-F583 HydrophobicContact CG2-CG 4.31Å
502	E	96.2	Very high	95	Very high	158 Å²	158	47 Å²	47	74%	0.738	25%	0.25	S	C	*	.			trans	-63.2	133.4	-175.6	-169.8	-178.6	177.2	0	0	111.7	G504 T505	E502-G504 PolarHBondContact O-N 3.23Å; E502-T505 WeakPolarHBondContact O-CB 3.18Å; E502-T505 PolarHBondContact O-N 3.42Å; E502-T505 PolarHBondContact O-OG1 2.76Å
503	V	96.5	Very high	94.2	Very high	73 Å²	73	47.1 Å²	47.1	44%	0.442	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	133.6	173.3	174.2	0	0	0	0	109.8	I501 T505 D535	I501-V503 PolarHBondContact O-N 3.07Å; V503-T505 VanDerWaalsContact C-N 3.35Å; V503-D535 HydrophobicContact CG1-CB 4.25Å; V503-D535 HydrophobicContact CG2-CB 4.3Å
504	G	95.3	Very high	93	Very high	41 Å²	41	49.2 Å²	49.2	42%	0.423	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-10.6	-174.9	0	0	0	0	0	114.3	E502 V506 V533	E502-G504 PolarHBondContact O-N 3.23Å; G504-V506 PolarHBondContact O-N 3.42Å; G504-V506 VanDerWaalsContact O-N 3.17Å; G504-V533 PolarHBondContact N-O 2.79Å
505	T	95.8	Very high	91.5	Very high	40 Å²	40	48.7 Å²	48.7	25%	0.245	26%	0.258	C	S	.	.			trans	-56.4	122.9	173.6	-60.5	0	0	0	0	110.1	I501 E502 V503 C507 P532 V533 C574	I501-T505 HydrophobicContact CD1-CG2 3.89Å; I501-T505 HydrophobicContact CG1-CG2 4.13Å; E502-T505 WeakPolarHBondContact O-CB 3.18Å; E502-T505 PolarHBondContact O-N 3.42Å; E502-T505 PolarHBondContact O-OG1 2.76Å; V503-T505 VanDerWaalsContact C-N 3.35Å; T505-C507 PolarHBondContact O-N 3.13Å; T505-P532 CarbonylContact O-C 3.58Å; T505-P532 WeakPolarHBondContact O-CA 3.38Å; T505-V533 PolarHBondContact O-N 3.4Å; T505-C574 HydrophobicContact CG2-CB 4.41Å
506	V	91.9	Very high	89.9	Confident	86 Å²	86	50.4 Å²	50.4	52%	0.521	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	112.4	179.6	-179	0	0	0	0	109.7	G504 T530 P532	G504-V506 PolarHBondContact O-N 3.42Å; G504-V506 VanDerWaalsContact O-N 3.17Å; V506-T530 HydrophobicContact CG1-CG2 3.82Å; V506-P532 HydrophobicContact CG2-CB 4.47Å
507	C	94.3	Very high	88.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	163	179.4	-58.7	0	0	0	0	111.1	T505 T530 A531 L572 I573 C574	T505-C507 PolarHBondContact O-N 3.13Å; C507-T530 CarbonylContact O-C 3.47Å; C507-T530 WeakPolarHBondContact O-CA 3.3Å; C507-A531 PolarHBondContact N-O 2.82Å; C507-A531 PolarHBondContact O-N 3.3Å; C507-L572 HydrophobicContact CB-CD1 3.64Å; C507-L572 HydrophobicContact CB-CG 4Å; C507-I573 CarbonylContact C-O 3.58Å; C507-I573 WeakPolarHBondContact CA-O 3.32Å; C507-I573 WeakPolarHBondContact CB-O 3Å; C507-C574 HydrophobicContact CB-CB 4.07Å; C507-C574 WeakPolarHBondContact CB-SG 3.29Å; C507-C574 WeakPolarHBondContact SG-CB 3.35Å; C507-C574 CovalentContact SG-SG 2.03Å; C507-C574 PolarHBondContact SG-SG 2.76Å
508	L	92.5	Very high	86.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	142.4	172.8	-66.4	179.4	0	0	0	111.4	I357 L359 M528 T529 T530 I573 W580	I357-L508 HydrophobicContact CG2-CD1 3.7Å; L359-L508 HydrophobicContact CD2-CD1 3.78Å; L359-L508 HydrophobicContact CD2-CD2 3.82Å; L359-L508 HydrophobicContact CD2-CG 4.07Å; L508-M528 HydrophobicContact CD1-CE 3.46Å; L508-M528 VanDerWaalsContact CD1-CE 3.46Å; L508-M528 HydrophobicContact CD2-CE 3.37Å; L508-M528 HydrophobicContact CG-CE 3.97Å; L508-T529 WeakPolarHBondContact CA-O 3.18Å; L508-T529 WeakPolarHBondContact CD2-O 3.41Å; L508-T530 HydrophobicContact CD2-CG2 3.48Å; L508-T530 VanDerWaalsContact CD2-CG2 3.48Å; L508-I573 HydrophobicContact CB-CD1 4.17Å; L508-I573 HydrophobicContact CB-CG1 3.68Å; L508-I573 HydrophobicContact CD1-CD1 4.4Å; L508-I573 PolarHBondContact N-O 3.36Å; L508-I573 PolarHBondContact O-N 2.83Å; L508-W580 HydrophobicContact CB-CZ3 4.14Å; L508-W580 HydrophobicContact CD1-CE3 4.16Å; L508-W580 HydrophobicContact CD1-CH2 3.19Å; L508-W580 HydrophobicContact CD1-CZ2 3.71Å; L508-W580 HydrophobicContact CD1-CZ3 3.44Å; L508-W580 VanDerWaalsContact CD1-CZ3 3.44Å; L508-W580 HydrophobicContact CG-CH2 3.61Å; L508-W580 HydrophobicContact CG-CZ3 3.57Å
509	I	93.7	Very high	84.9	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.5	169.4	-52.4	154.1	0	0	0	106.2	M528 T529 A531 F563 L572 V586 Y600	I509-M528 CarbonylContact O-C 3.56Å; I509-M528 WeakPolarHBondContact O-CA 3.4Å; I509-M528 WeakPolarHBondContact O-CB 3.49Å; I509-T529 HydrophobicContact CB-CG2 4.25Å; I509-T529 HydrophobicContact CD1-CG2 4.08Å; I509-T529 PolarHBondContact N-O 3.01Å; I509-T529 PolarHBondContact O-N 3.31Å; I509-A531 HydrophobicContact CD1-CB 3.71Å; I509-F563 HydrophobicContact CG2-CB 4.15Å; I509-L572 HydrophobicContact CD1-CD1 4.23Å; I509-L572 HydrophobicContact CG1-CD1 3.49Å; I509-L572 VanDerWaalsContact CG1-CD1 3.49Å; I509-V586 HydrophobicContact CG2-CG2 4.22Å; I509-Y600 WeakPolarHBondContact CD1-OH 3.48Å; I509-Y600 HydrophobicContact CG1-CE1 4.42Å
510	A	92.1	Very high	82.9	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.8	177.1	0	0	0	0	0	111.8	L378 M381 L526 K527 M528	L378-A510 HydrophobicContact CD1-CB 3.38Å; M381-A510 HydrophobicContact CE-CB 4.15Å; M381-A510 WeakPolarHBondContact CE-O 3.37Å; M381-A510 HydrophobicContact CG-CB 4.4Å; M381-A510 HydrophobicContact SD-CB 4Å; A510-L526 HydrophobicContact CB-CD1 4.27Å; A510-K527 CarbonylContact C-O 3.57Å; A510-K527 WeakPolarHBondContact CA-O 3.28Å; A510-K527 WeakPolarHBondContact CB-O 3.18Å; A510-M528 HydrophobicContact CB-CB 4Å
511	G	92.9	Very high	81.2	Confident	1 Å²	1	39 Å²	39	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	175.8	-179.3	0	0	0	0	0	113.4	K527 D567	G511-K527 PolarHBondContact N-O 3.46Å; G511-K527 PolarHBondContact O-N 2.98Å; G511-D567 VanDerWaalsContact CA-OD1 3.29Å; G511-D567 WeakPolarHBondContact CA-OD1 3.43Å
512	W	87	Confident	79.9	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.015	22%	0.224	C	C	.	.	S	Bend	trans	-104.5	16.6	175.5	-65.2	-87.1	0	0	0	111.4	M381 L383 I441 H442 L522 E523 E525 L526	M381-W512 HydrophobicContact CB-CH2 4Å; M381-W512 HydrophobicContact CB-CZ3 4.38Å; M381-W512 HydrophobicContact CE-CZ3 4.24Å; L383-W512 HydrophobicContact CB-CE3 3.97Å; L383-W512 HydrophobicContact CB-CH2 4.4Å; L383-W512 HydrophobicContact CB-CZ3 3.86Å; L383-W512 HydrophobicContact CD1-CE3 4.04Å; I441-W512 HydrophobicContact CD1-CH2 4.15Å; I441-W512 HydrophobicContact CD1-CZ2 3.84Å; I441-W512 HydrophobicContact CG1-CH2 4Å; I441-W512 HydrophobicContact CG1-CZ2 3.76Å; H442-W512 PolarHBondContact O-NE1 3.01Å; W512-L522 VanDerWaalsContact O-CB 3.31Å; W512-L522 WeakPolarHBondContact O-CB 3.41Å; W512-E523 PolarHBondContact O-N 3.46Å; W512-E525 VanDerWaalsContact CD1-C 3.49Å; W512-L526 HydrophobicContact CD2-CD1 3.95Å; W512-L526 HydrophobicContact CE3-CD1 4.07Å; W512-L526 HydrophobicContact CH2-CD1 3.89Å; W512-L526 HydrophobicContact CZ2-CB 3.85Å; W512-L526 HydrophobicContact CZ2-CD1 3.74Å; W512-L526 HydrophobicContact CZ2-CD2 4.35Å; W512-L526 HydrophobicContact CZ2-CG 4.18Å; W512-L526 HydrophobicContact CZ3-CD1 4.03Å
513	G	80.7	Confident	78.6	Confident	3 Å²	3	32.3 Å²	32.3	3%	0.031	19%	0.19	C	C	.	.			trans	-64.8	-176.5	-179.5	0	0	0	0	0	113.6	E523 Y565 D567	G513-E523 WeakPolarHBondContact O-CG 3.45Å; G513-Y565 CarbonylContact C-O 3.58Å; G513-Y565 VanDerWaalsContact CA-O 3.25Å; G513-Y565 WeakPolarHBondContact CA-O 3.4Å; G513-D567 WeakPolarHBondContact CA-OD1 3.48Å; G513-D567 PolarHBondContact N-OD1 3.4Å
514	K	73.3	Confident	77.4	Confident	50 Å²	50	30.3 Å²	30.3	22%	0.217	18%	0.18	C	C	.	.			trans	-68.4	140.2	177.2	-71.8	-173.7	-179.6	-167.9	0	111.4	S516 A519 L522 C564 Y565	K514-S516 VanDerWaalsContact C-N 3.27Å; K514-S516 WeakPolarHBondContact CB-O 3.17Å; K514-S516 PolarHBondContact O-N 3.43Å; K514-A519 HydrophobicContact CB-CB 3.98Å; K514-A519 HydrophobicContact CD-CB 4.28Å; K514-A519 WeakPolarHBondContact CD-O 3.21Å; K514-A519 WeakPolarHBondContact CE-O 3.26Å; K514-A519 HydrophobicContact CG-CB 4.11Å; K514-A519 PolarHBondContact NZ-O 2.97Å; K514-L522 HydrophobicContact CG-CD2 4.18Å; K514-C564 HydrophobicContact CB-CB 4.18Å; K514-C564 WeakPolarHBondContact O-CB 3.35Å; K514-Y565 HydrophobicContact CD-CD2 4.21Å; K514-Y565 PolarHBondContact N-O 2.71Å
515	T	65.9	Low	76.3	Confident	23 Å²	23	30.2 Å²	30.2	14%	0.141	17%	0.168	C	C	.	.	S	Bend	trans	-76.2	-15.9	175.4	38.7	0	0	0	0	114.8	R366 E523	R366-T515 VanDerWaalsContact CA-CG2 3.49Å; R366-T515 HydrophobicContact CB-CG2 3.71Å; R366-T515 HydrophobicContact CG-CG2 3.89Å; R366-T515 WeakPolarHBondContact O-CG2 3.47Å; T515-E523 HydrophobicContact CG2-CG 3.53Å; T515-E523 WeakPolarHBondContact CG2-OE1 3.4Å; T515-E523 PolarHBondContact OG1-OE1 3Å
516	S	64.2	Low	75.8	Confident	41 Å²	41	28.5 Å²	28.5	29%	0.287	16%	0.157	S	C	.	.	S	Bend	trans	-155.1	160.3	175.2	71.2	0	0	0	0	109.4	K514 H518 A519	K514-S516 VanDerWaalsContact C-N 3.27Å; K514-S516 WeakPolarHBondContact CB-O 3.17Å; K514-S516 PolarHBondContact O-N 3.43Å; S516-H518 PolarHBondContact O-N 2.83Å; S516-H518 PolarHBondContact OG-N 2.9Å; S516-A519 PolarHBondContact O-N 2.93Å; S516-A519 PolarHBondContact OG-N 2.69Å; S516-A519 VanDerWaalsContact OG-N 3.15Å
517	H	66.3	Low	75.4	Confident	58 Å²	58	24.4 Å²	24.4	27%	0.269	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-26.7	174.3	-172.5	76.5	0	0	0	113	Y565 R592 C593	H517-Y565 AromaticContact CE1-CE2 3.73Å; H517-Y565 PolarHBondContact CE1-OH 3.03Å; H517-Y565 AromaticContact ND1-CE2 3.5Å; H517-Y565 WeakPolarHBondContact ND1-CE2 3.24Å; H517-R592 HydrophobicContact CB-CB 4.16Å; H517-C593 HydrophobicContact CB-CB 4.46Å
518	H	61.3	Low	75.1	Confident	61 Å²	61	24.4 Å²	24.4	28%	0.282	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-5.7	-177.3	-58.2	-67.2	0	0	0	114.3	S516 T520	S516-H518 PolarHBondContact O-N 2.83Å; S516-H518 PolarHBondContact OG-N 2.9Å; H518-T520 PolarHBondContact O-N 3.06Å
519	A	56.2	Low	74.8	Confident	4 Å²	4	24.4 Å²	24.4	3%	0.033	13%	0.133	C	C	.	.			trans	-61	139.1	174.8	0	0	0	0	0	109.5	K514 S516	K514-A519 HydrophobicContact CB-CB 3.98Å; K514-A519 HydrophobicContact CD-CB 4.28Å; K514-A519 WeakPolarHBondContact CD-O 3.21Å; K514-A519 WeakPolarHBondContact CE-O 3.26Å; K514-A519 HydrophobicContact CG-CB 4.11Å; K514-A519 PolarHBondContact NZ-O 2.97Å; S516-A519 PolarHBondContact O-N 2.93Å; S516-A519 PolarHBondContact OG-N 2.69Å; S516-A519 VanDerWaalsContact OG-N 3.15Å
520	T	56.2	Low	74.5	Confident	75 Å²	75	25.4 Å²	25.4	46%	0.46	14%	0.139	S	C	.	.	S	Bend	trans	-94.1	-16.7	-178.9	45	0	0	0	0	113.1	T36 H518	T36-T520 PolarHBondContact O-OG1 3.47Å; T36-T520 WeakPolarHBondContact OG1-CG2 3.34Å; T36-T520 PolarHBondContact OG1-OG1 3.44Å; H518-T520 PolarHBondContact O-N 3.06Å
521	I	58.8	Low	74.4	Confident	75 Å²	75	25.3 Å²	25.3	39%	0.385	14%	0.138	S	C	.	.	S	Bend	trans	-130.1	164.9	178.6	80.1	162.7	0	0	0	111.7	P38	P38-I521 HydrophobicContact CB-CD1 3.42Å; P38-I521 VanDerWaalsContact CB-CD1 3.42Å; P38-I521 HydrophobicContact CB-CG1 3.36Å; P38-I521 HydrophobicContact CG-CD1 3.07Å; P38-I521 HydrophobicContact CG-CG1 3.38Å
522	L	67.2	Low	74.4	Confident	34 Å²	34	25.9 Å²	25.9	18%	0.178	14%	0.141	C	C	.	.			trans	-80.9	149.8	173.3	-60.3	-179.2	0	0	0	111	S397 W512 K514	S397-L522 VanDerWaalsContact CB-CD1 3.46Å; W512-L522 VanDerWaalsContact O-CB 3.31Å; W512-L522 WeakPolarHBondContact O-CB 3.41Å; K514-L522 HydrophobicContact CG-CD2 4.18Å
523	E	69	Low	74.9	Confident	5 Å²	5	25.8 Å²	25.8	2%	0.023	14%	0.141	C	C	.	.			trans	-72.7	136.2	-177.7	-69.2	-70.2	136.1	0	0	111.7	G39 R366 Q444 W512 G513 T515 K527	G39-E523 WeakPolarHBondContact CA-OE1 3.46Å; G39-E523 PolarHBondContact N-OE1 3.04Å; R366-E523 WeakPolarHBondContact CD-OE2 3.32Å; Q444-E523 PolarHBondContact NE2-O 2.75Å; W512-E523 PolarHBondContact O-N 3.46Å; G513-E523 WeakPolarHBondContact O-CG 3.45Å; T515-E523 HydrophobicContact CG2-CG 3.53Å; T515-E523 WeakPolarHBondContact CG2-OE1 3.4Å; T515-E523 PolarHBondContact OG1-OE1 3Å; E523-K527 HydrophobicContact CB-CG 4.05Å; E523-K527 HydrophobicContact CG-CG 4.08Å; E523-K527 WeakPolarHBondContact OE2-CE 3.21Å
524	S	70	Confident	75.7	Confident	32 Å²	32	25.9 Å²	25.9	22%	0.224	14%	0.142	C	C	.	.	S	Bend	trans	-65.9	-46.6	177.4	179.1	0	0	0	0	111.9	H443 Q444	H443-S524 CarbonylContact C-O 3.57Å; H443-S524 VanDerWaalsContact CA-O 3.26Å; H443-S524 WeakPolarHBondContact CA-O 3.38Å; Q444-S524 PolarHBondContact N-O 2.78Å
525	E	73.4	Confident	76.8	Confident	39 Å²	39	26.4 Å²	26.4	18%	0.182	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-92.1	150.9	-178.8	-46.6	79.3	-156.7	0	0	111.7	R366 E372 H442 H443 W512 K527	R366-E525 IonicContact NH1-OE2 3.88Å; E372-E525 HydrophobicContact CG-CB 3.97Å; H442-E525 CarbonylContact O-C 3.45Å; H442-E525 WeakPolarHBondContact O-CA 2.99Å; H443-E525 VanDerWaalsContact CD2-CG 3.43Å; H443-E525 WeakPolarHBondContact CD2-CG 3.07Å; H443-E525 WeakPolarHBondContact NE2-CG 3.29Å; W512-E525 VanDerWaalsContact CD1-C 3.49Å; E525-K527 WeakPolarHBondContact O-CE 2.96Å; E525-K527 VanDerWaalsContact O-CG 3.32Å; E525-K527 WeakPolarHBondContact O-CG 3.32Å; E525-K527 PolarHBondContact O-N 3.21Å; E525-K527 WeakPolarHBondContact OE2-CE 3.38Å; E525-K527 IonicContact OE2-NZ 2.7Å; E525-K527 PolarHBondContact OE2-NZ 3.08Å
526	L	85.1	Confident	78.2	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.016	15%	0.146	C	C	.	.			trans	-64.6	124	175.1	179.9	64.2	0	0	0	109.9	A373 L378 M381 H442 A510 W512	A373-L526 HydrophobicContact CB-CD2 4.18Å; A373-L526 HydrophobicContact CB-CG 4.15Å; A373-L526 PolarHBondContact N-O 2.86Å; L378-L526 HydrophobicContact CB-CD2 4.14Å; L378-L526 HydrophobicContact CD1-CD2 4.14Å; M381-L526 HydrophobicContact CB-CD1 4.5Å; M381-L526 HydrophobicContact CB-CD2 4.1Å; M381-L526 HydrophobicContact CE-CD1 4.13Å; M381-L526 HydrophobicContact CG-CD1 4.33Å; M381-L526 HydrophobicContact CG-CD2 3.97Å; H442-L526 PolarHBondContact O-N 3.08Å; A510-L526 HydrophobicContact CB-CD1 4.27Å; W512-L526 HydrophobicContact CD2-CD1 3.95Å; W512-L526 HydrophobicContact CE3-CD1 4.07Å; W512-L526 HydrophobicContact CH2-CD1 3.89Å; W512-L526 HydrophobicContact CZ2-CB 3.85Å; W512-L526 HydrophobicContact CZ2-CD1 3.74Å; W512-L526 HydrophobicContact CZ2-CD2 4.35Å; W512-L526 HydrophobicContact CZ2-CG 4.18Å; W512-L526 HydrophobicContact CZ3-CD1 4.03Å
527	K	84.6	Confident	79.6	Confident	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	158.2	178.4	-50	-58.8	-176.2	-174.7	0	109.6	R366 I367 W371 E372 A510 G511 E523 E525	R366-K527 VanDerWaalsContact C-CB 3.48Å; R366-K527 HydrophobicContact CB-CB 4.41Å; R366-K527 HydrophobicContact CB-CD 3.58Å; R366-K527 HydrophobicContact CB-CG 3.81Å; R366-K527 VanDerWaalsContact NH1-NZ 3.17Å; R366-K527 WeakPolarHBondContact O-CB 3.25Å; R366-K527 WeakPolarHBondContact O-CG 3.42Å; I367-K527 HydrophobicContact CD1-CB 4.38Å; I367-K527 WeakPolarHBondContact CD1-O 3.29Å; I367-K527 HydrophobicContact CG1-CB 3.52Å; W371-K527 CarbonylContact O-C 3.58Å; W371-K527 WeakPolarHBondContact O-CA 3.46Å; E372-K527 HydrophobicContact CB-CD 3.86Å; E372-K527 HydrophobicContact CG-CD 4.06Å; E372-K527 IonicContact OE2-NZ 2.74Å; E372-K527 PolarHBondContact OE2-NZ 2.86Å; A510-K527 CarbonylContact C-O 3.57Å; A510-K527 WeakPolarHBondContact CA-O 3.28Å; A510-K527 WeakPolarHBondContact CB-O 3.18Å; G511-K527 PolarHBondContact N-O 3.46Å; G511-K527 PolarHBondContact O-N 2.98Å; E523-K527 HydrophobicContact CB-CG 4.05Å; E523-K527 HydrophobicContact CG-CG 4.08Å; E523-K527 WeakPolarHBondContact OE2-CE 3.21Å; E525-K527 WeakPolarHBondContact O-CE 2.96Å; E525-K527 VanDerWaalsContact O-CG 3.32Å; E525-K527 WeakPolarHBondContact O-CG 3.32Å; E525-K527 PolarHBondContact O-N 3.21Å; E525-K527 WeakPolarHBondContact OE2-CE 3.38Å; E525-K527 IonicContact OE2-NZ 2.7Å; E525-K527 PolarHBondContact OE2-NZ 3.08Å
528	M	87.8	Confident	80.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.9	177.8	62.5	178.3	-68.6	0	0	111.6	I357 G370 W371 A373 L378 L508 I509 A510	I357-M528 HydrophobicContact CG2-CE 3.98Å; G370-M528 CarbonylContact C-O 3.59Å; G370-M528 WeakPolarHBondContact CA-O 3.43Å; W371-M528 HydrophobicContact CD2-CG 4.39Å; W371-M528 HydrophobicContact CG-CG 4.29Å; W371-M528 HydrophobicContact CZ2-CE 3.85Å; W371-M528 HydrophobicContact CZ2-CG 4.48Å; W371-M528 PolarHBondContact N-O 3.41Å; W371-M528 PolarHBondContact NE1-SD 3.19Å; W371-M528 VanDerWaalsContact NE1-SD 3.4Å; W371-M528 PolarHBondContact O-N 2.86Å; W371-M528 VanDerWaalsContact O-O 3.11Å; A373-M528 HydrophobicContact CB-CG 4.06Å; A373-M528 HydrophobicContact CB-SD 3.86Å; L378-M528 HydrophobicContact CD1-CB 4.33Å; L378-M528 HydrophobicContact CD1-SD 4.39Å; L508-M528 HydrophobicContact CD1-CE 3.46Å; L508-M528 VanDerWaalsContact CD1-CE 3.46Å; L508-M528 HydrophobicContact CD2-CE 3.37Å; L508-M528 HydrophobicContact CG-CE 3.97Å; I509-M528 CarbonylContact O-C 3.56Å; I509-M528 WeakPolarHBondContact O-CA 3.4Å; I509-M528 WeakPolarHBondContact O-CB 3.49Å; A510-M528 HydrophobicContact CB-CB 4Å
529	T	85.4	Confident	82.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	170	170.8	-160.5	0	0	0	0	110.2	I367 G370 L508 I509 R561	I367-T529 HydrophobicContact CB-CG2 4.1Å; I367-T529 HydrophobicContact CG2-CG2 3.43Å; I367-T529 VanDerWaalsContact CG2-CG2 3.43Å; G370-T529 WeakPolarHBondContact CA-OG1 3.34Å; L508-T529 WeakPolarHBondContact CA-O 3.18Å; L508-T529 WeakPolarHBondContact CD2-O 3.41Å; I509-T529 HydrophobicContact CB-CG2 4.25Å; I509-T529 HydrophobicContact CD1-CG2 4.08Å; I509-T529 PolarHBondContact N-O 3.01Å; I509-T529 PolarHBondContact O-N 3.31Å; T529-R561 HydrophobicContact CG2-CB 4.26Å; T529-R561 WeakPolarHBondContact OG1-CB 3.48Å; T529-R561 VanDerWaalsContact OG1-CD 3.29Å; T529-R561 WeakPolarHBondContact OG1-CD 3.38Å; T529-R561 WeakPolarHBondContact OG1-CG 3.43Å
530	T	87.5	Confident	84.1	Confident	22 Å²	22	28.8 Å²	28.8	14%	0.135	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.8	168.8	54.8	0	0	0	0	111.3	W371 V506 C507 L508 R561	W371-T530 HydrophobicContact CH2-CG2 3.71Å; W371-T530 HydrophobicContact CZ2-CG2 4.4Å; V506-T530 HydrophobicContact CG1-CG2 3.82Å; C507-T530 CarbonylContact O-C 3.47Å; C507-T530 WeakPolarHBondContact O-CA 3.3Å; L508-T530 HydrophobicContact CD2-CG2 3.48Å; L508-T530 VanDerWaalsContact CD2-CG2 3.48Å; T530-R561 WeakPolarHBondContact O-CB 3.44Å; T530-R561 VanDerWaalsContact O-CD 3.23Å; T530-R561 WeakPolarHBondContact O-CD 3.34Å; T530-R561 PolarHBondContact OG1-NH1 3.08Å
531	A	89.1	Confident	85.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.7	169.7	0	0	0	0	0	110.2	C507 I509 T555	C507-A531 PolarHBondContact N-O 2.82Å; C507-A531 PolarHBondContact O-N 3.3Å; I509-A531 HydrophobicContact CD1-CB 3.71Å; A531-T555 HydrophobicContact CB-CG2 4.03Å
532	P	94.4	Very high	86.9	Confident	13 Å²	13	35.3 Å²	35.3	8%	0.084	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	141	176.8	33.6	-36.3	0	0	0	110.7	T505 V506 A534 T555 K556 E558	T505-P532 CarbonylContact O-C 3.58Å; T505-P532 WeakPolarHBondContact O-CA 3.38Å; V506-P532 HydrophobicContact CG2-CB 4.47Å; P532-A534 PolarHBondContact O-N 2.79Å; P532-T555 CarbonylContact O-C 3.56Å; P532-T555 WeakPolarHBondContact O-CA 3.37Å; P532-T555 VanDerWaalsContact O-CB 3.3Å; P532-T555 WeakPolarHBondContact O-CB 3.27Å; P532-K556 HydrophobicContact CG-CB 3.9Å; P532-K556 HydrophobicContact CG-CG 4.19Å; P532-K556 PolarHBondContact O-N 2.8Å; P532-E558 HydrophobicContact CG-CB 4.14Å; P532-E558 WeakPolarHBondContact CG-OE2 3.2Å
533	V	97.2	Very high	87.9	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-57.5	134.3	170.8	173.6	0	0	0	0	109.7	I501 G504 T505 L553 C554	I501-V533 HydrophobicContact CD1-CG2 4.21Å; I501-V533 HydrophobicContact CG1-CG2 4.21Å; I501-V533 HydrophobicContact CG2-CG1 4.25Å; I501-V533 HydrophobicContact CG2-CG2 4.16Å; G504-V533 PolarHBondContact N-O 2.79Å; T505-V533 PolarHBondContact O-N 3.4Å; V533-L553 HydrophobicContact CG1-CD1 3.91Å; V533-C554 WeakPolarHBondContact CA-O 3.43Å
534	A	96.5	Very high	88.7	Confident	5 Å²	5	40.5 Å²	40.5	4%	0.041	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-100.2	153.8	178.7	0	0	0	0	0	111.5	P532 C554 K556 F597	P532-A534 PolarHBondContact O-N 2.79Å; A534-C554 HydrophobicContact CB-CB 3.91Å; A534-C554 PolarHBondContact N-O 3.5Å; A534-K556 HydrophobicContact CB-CG 3.67Å; A534-F597 HydrophobicContact CB-CD1 3.54Å; A534-F597 HydrophobicContact CB-CE1 3.79Å
535	D	96.5	Very high	89.7	Confident	61 Å²	61	40.6 Å²	40.6	33%	0.326	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-65.5	136.8	168.1	-177	-87.3	0	0	0	110.4	V503 N537 E538 C539	V503-D535 HydrophobicContact CG1-CB 4.25Å; V503-D535 HydrophobicContact CG2-CB 4.3Å; D535-N537 VanDerWaalsContact C-N 3.34Å; D535-N537 PolarHBondContact O-N 3.15Å; D535-N537 WeakPolarHBondContact OD1-CA 3.34Å; D535-N537 WeakPolarHBondContact OD1-CB 3.23Å; D535-N537 PolarHBondContact OD1-N 2.97Å; D535-N537 PolarHBondContact OD1-ND2 2.77Å; D535-E538 HydrophobicContact CB-CB 4.23Å; D535-E538 PolarHBondContact O-N 3.15Å; D535-E538 PolarHBondContact OD1-N 2.9Å; D535-C539 WeakPolarHBondContact O-CB 3.33Å; D535-C539 PolarHBondContact O-N 3.28Å
536	F	95.3	Very high	90.5	Very high	26 Å²	26	42.6 Å²	42.6	11%	0.114	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-36.8	-176.9	176.9	-99.3	0	0	0	112.3	E538 C539 S540 V547 E549 V552	F536-E538 VanDerWaalsContact C-N 3.3Å; F536-E538 PolarHBondContact O-N 3.17Å; F536-C539 PolarHBondContact O-N 2.93Å; F536-S540 VanDerWaalsContact O-CB 3.3Å; F536-S540 WeakPolarHBondContact O-CB 3.36Å; F536-S540 PolarHBondContact O-N 3.42Å; F536-S540 PolarHBondContact O-OG 3.26Å; F536-V547 HydrophobicContact CE2-CB 4.48Å; F536-V547 HydrophobicContact CE2-CG2 3.98Å; F536-V547 HydrophobicContact CZ-CG2 3.9Å; F536-E549 HydrophobicContact CB-CG 4.13Å; F536-E549 HydrophobicContact CD1-CB 3.71Å; F536-E549 HydrophobicContact CD1-CG 3.99Å; F536-E549 HydrophobicContact CD2-CB 4.15Å; F536-E549 HydrophobicContact CD2-CG 4.28Å; F536-E549 HydrophobicContact CE1-CB 3.76Å; F536-E549 HydrophobicContact CE2-CB 4.19Å; F536-E549 HydrophobicContact CG-CB 3.92Å; F536-E549 HydrophobicContact CG-CG 3.85Å; F536-E549 HydrophobicContact CZ-CB 3.99Å; F536-E549 VanDerWaalsContact CZ-N 3.27Å; F536-V552 HydrophobicContact CE2-CB 4.28Å
537	N	94.5	Very high	90.9	Very high	99 Å²	99	43.2 Å²	43.2	53%	0.529	24%	0.238	S	C	.	.	H	α-helix	trans	-68.4	-31.3	179.4	-58.9	-61.6	0	0	0	111.6	D535 Q541	D535-N537 VanDerWaalsContact C-N 3.34Å; D535-N537 PolarHBondContact O-N 3.15Å; D535-N537 WeakPolarHBondContact OD1-CA 3.34Å; D535-N537 WeakPolarHBondContact OD1-CB 3.23Å; D535-N537 PolarHBondContact OD1-N 2.97Å; D535-N537 PolarHBondContact OD1-ND2 2.77Å; N537-Q541 VanDerWaalsContact O-CG 3.29Å; N537-Q541 WeakPolarHBondContact O-CG 3.27Å; N537-Q541 PolarHBondContact O-NE2 3.4Å
538	E	93.7	Very high	91.4	Very high	75 Å²	75	48.3 Å²	48.3	35%	0.35	26%	0.258	S	S	.	.	H	α-helix	trans	-71	-43.1	172.1	-161.6	-174.6	175.1	0	0	110.7	D535 F536 K556 F597	D535-E538 HydrophobicContact CB-CB 4.23Å; D535-E538 PolarHBondContact O-N 3.15Å; D535-E538 PolarHBondContact OD1-N 2.9Å; F536-E538 VanDerWaalsContact C-N 3.3Å; F536-E538 PolarHBondContact O-N 3.17Å; E538-K556 IonicContact OE1-NZ 2.72Å; E538-K556 WeakPolarHBondContact OE2-CE 3.36Å; E538-K556 IonicContact OE2-NZ 2.66Å; E538-K556 PolarHBondContact OE2-NZ 3.07Å; E538-F597 HydrophobicContact CB-CE1 4.47Å; E538-F597 HydrophobicContact CB-CZ 4.28Å; E538-F597 HydrophobicContact CG-CE1 4.01Å; E538-F597 HydrophobicContact CG-CE2 4.12Å; E538-F597 HydrophobicContact CG-CZ 3.45Å; E538-F597 VanDerWaalsContact CG-CZ 3.45Å; E538-F597 VanDerWaalsContact OE1-CZ 3.3Å; E538-F597 WeakPolarHBondContact OE1-CZ 3.22Å
539	C	92.3	Very high	91.7	Very high	2 Å²	2	53 Å²	53	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-71.8	-30	-175.1	-179.9	0	0	0	0	115.1	D535 F536 C554 F597 K599	D535-C539 WeakPolarHBondContact O-CB 3.33Å; D535-C539 PolarHBondContact O-N 3.28Å; F536-C539 PolarHBondContact O-N 2.93Å; C539-C554 HydrophobicContact CB-CB 3.44Å; C539-C554 VanDerWaalsContact CB-CB 3.44Å; C539-C554 WeakPolarHBondContact CB-SG 3.39Å; C539-C554 WeakPolarHBondContact SG-CB 3.25Å; C539-C554 CovalentContact SG-SG 2.01Å; C539-C554 PolarHBondContact SG-SG 3.34Å; C539-F597 HydrophobicContact CB-CB 4.17Å; C539-F597 HydrophobicContact CB-CD1 4.3Å; C539-F597 HydrophobicContact CB-CG 4.17Å; C539-K599 PolarHBondContact O-NZ 3.06Å; C539-K599 VanDerWaalsContact O-NZ 3.11Å; C539-K599 PolarHBondContact SG-NZ 2.95Å
540	S	92	Very high	92.2	Very high	36 Å²	36	58.4 Å²	58.4	25%	0.252	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.8	-175.1	56.1	0	0	0	0	113.9	F536	F536-S540 VanDerWaalsContact O-CB 3.3Å; F536-S540 WeakPolarHBondContact O-CB 3.36Å; F536-S540 PolarHBondContact O-N 3.42Å; F536-S540 PolarHBondContact O-OG 3.26Å
541	Q	89.5	Confident	92.6	Very high	124 Å²	124	59 Å²	59	58%	0.579	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	142.8	179.5	-74.2	171.4	30.1	0	0	112.8	N537 L543	N537-Q541 VanDerWaalsContact O-CG 3.29Å; N537-Q541 WeakPolarHBondContact O-CG 3.27Å; N537-Q541 PolarHBondContact O-NE2 3.4Å; Q541-L543 PolarHBondContact O-N 3.41Å
542	N	84.5	Confident	92.9	Very high	163 Å²	163	59.3 Å²	59.3	87%	0.872	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	30	172.4	-56.5	-52.6	0	0	0	115
543	L	87.3	Confident	93	Very high	32 Å²	32	58.9 Å²	58.9	17%	0.168	31%	0.305	C	S	.	.			trans	-85.9	143.6	174.7	-61.1	179.8	0	0	0	111.3	Q541 I545 V547 P590 K599	Q541-L543 PolarHBondContact O-N 3.41Å; L543-I545 HydrophobicContact CB-CG1 4.49Å; L543-I545 WeakPolarHBondContact CB-O 3.25Å; L543-I545 PolarHBondContact O-N 3.32Å; L543-V547 HydrophobicContact CD1-CG1 3.95Å; L543-V547 HydrophobicContact CD1-CG2 3.77Å; L543-P590 HydrophobicContact CD2-CB 4.29Å; L543-P590 HydrophobicContact CD2-CG 3.81Å; L543-K599 VanDerWaalsContact CD1-CE 3.43Å
544	P	86.5	Confident	93	Very high	115 Å²	115	58.9 Å²	58.9	75%	0.747	31%	0.305	S	S	*	.	S	Bend	trans	-75.2	-1.8	173.3	32.7	-36	0	0	0	113.2
545	I	90	Very high	92.9	Very high	34 Å²	34	58.6 Å²	58.6	17%	0.174	30%	0.303	C	S	.	.	S	Bend	trans	-132.7	155.6	-176	56	164.7	0	0	0	110.2	Q469 F470 L543 V547 F588	Q469-I545 WeakPolarHBondContact O-CD1 3.5Å; F470-I545 HydrophobicContact CD2-CD1 4.16Å; L543-I545 HydrophobicContact CB-CG1 4.49Å; L543-I545 WeakPolarHBondContact CB-O 3.25Å; L543-I545 PolarHBondContact O-N 3.32Å; I545-V547 HydrophobicContact CD1-CG1 4.38Å; I545-V547 HydrophobicContact CG1-CG1 4.47Å; I545-F588 HydrophobicContact CD1-CD2 4.11Å; I545-F588 HydrophobicContact CD1-CE1 4.35Å; I545-F588 HydrophobicContact CD1-CE2 3.31Å; I545-F588 HydrophobicContact CD1-CZ 3.46Å; I545-F588 VanDerWaalsContact CD1-CZ 3.46Å; I545-F588 HydrophobicContact CG1-CE2 4.21Å; I545-F588 HydrophobicContact CG1-CZ 4.5Å
546	T	91.8	Very high	92.6	Very high	81 Å²	81	58.8 Å²	58.8	50%	0.497	30%	0.301	S	S	.	.			trans	-86.5	130.9	175.9	-56	0	0	0	0	109.3	H471 Y548	H471-T546 PolarHBondContact NE2-O 2.6Å; T546-Y548 HydrophobicContact CG2-CE1 4.32Å; T546-Y548 HydrophobicContact CG2-CE2 4.43Å
547	V	92.7	Very high	92.1	Very high	17 Å²	17	59.2 Å²	59.2	10%	0.103	31%	0.306	C	S	.	.			trans	-121.9	151	176.3	-65	0	0	0	0	109.8	F536 L543 I545 V552 F588	F536-V547 HydrophobicContact CE2-CB 4.48Å; F536-V547 HydrophobicContact CE2-CG2 3.98Å; F536-V547 HydrophobicContact CZ-CG2 3.9Å; L543-V547 HydrophobicContact CD1-CG1 3.95Å; L543-V547 HydrophobicContact CD1-CG2 3.77Å; I545-V547 HydrophobicContact CD1-CG1 4.38Å; I545-V547 HydrophobicContact CG1-CG1 4.47Å; V547-V552 HydrophobicContact CB-CG2 4.11Å; V547-V552 HydrophobicContact CG1-CG2 4.26Å; V547-F588 HydrophobicContact CG1-CZ 3.77Å
548	Y	95.1	Very high	91.2	Very high	108 Å²	108	60.1 Å²	60.1	42%	0.424	31%	0.308	S	S	.	.			trans	-118.1	140.5	179.6	-60.8	-75.2	0	0	0	109.9	H471 T546 E550 Q551 V552	H471-Y548 AromaticContact CE1-CE2 3.45Å; H471-Y548 VanDerWaalsContact CE1-CE2 3.45Å; H471-Y548 WeakPolarHBondContact CE1-CE2 3.19Å; H471-Y548 AromaticContact NE2-CD2 3.78Å; H471-Y548 AromaticContact NE2-CE2 3.54Å; T546-Y548 HydrophobicContact CG2-CE1 4.32Å; T546-Y548 HydrophobicContact CG2-CE2 4.43Å; Y548-E550 PolarHBondContact O-N 2.87Å; Y548-Q551 PolarHBondContact O-N 3.03Å; Y548-V552 PolarHBondContact O-N 3.09Å
549	E	94.6	Very high	90	Very high	98 Å²	98	60.3 Å²	60.3	46%	0.458	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.6	-175.8	-175.3	163	-159.6	0	0	111.4	F536 Q551 R602	F536-E549 HydrophobicContact CB-CG 4.13Å; F536-E549 HydrophobicContact CD1-CB 3.71Å; F536-E549 HydrophobicContact CD1-CG 3.99Å; F536-E549 HydrophobicContact CD2-CB 4.15Å; F536-E549 HydrophobicContact CD2-CG 4.28Å; F536-E549 HydrophobicContact CE1-CB 3.76Å; F536-E549 HydrophobicContact CE2-CB 4.19Å; F536-E549 HydrophobicContact CG-CB 3.92Å; F536-E549 HydrophobicContact CG-CG 3.85Å; F536-E549 HydrophobicContact CZ-CB 3.99Å; F536-E549 VanDerWaalsContact CZ-N 3.27Å; E549-Q551 PolarHBondContact O-N 3.47Å; E549-R602 PolarHBondContact O-NE 2.58Å; E549-R602 PolarHBondContact O-NH2 2.7Å
550	E	94.4	Very high	89.1	Confident	113 Å²	113	64.7 Å²	64.7	53%	0.528	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.9	178.3	-54.3	83.3	177.8	0	0	112.7	Y548 N605	Y548-E550 PolarHBondContact O-N 2.87Å; E550-N605 WeakPolarHBondContact CA-ND2 3.32Å; E550-N605 WeakPolarHBondContact CB-ND2 3.25Å; E550-N605 WeakPolarHBondContact O-CB 3.3Å; E550-N605 PolarHBondContact O-ND2 3.19Å; E550-N605 VanDerWaalsContact O-ND2 3.08Å
551	Q	95.9	Very high	88.4	Confident	35 Å²	35	66.4 Å²	66.4	16%	0.164	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-27.5	-176.8	-63.2	180	-0.2	0	0	112.7	H471 Y548 E549 A601 R602	H471-Q551 VanDerWaalsContact CB-OE1 3.32Å; H471-Q551 PolarHBondContact CD2-OE1 2.84Å; Y548-Q551 PolarHBondContact O-N 3.03Å; E549-Q551 PolarHBondContact O-N 3.47Å; Q551-A601 WeakPolarHBondContact O-CA 3.39Å; Q551-R602 PolarHBondContact O-N 3.47Å
552	V	95.9	Very high	88.2	Confident	6 Å²	6	60.5 Å²	60.5	4%	0.036	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.8	-168.8	175.1	0	0	0	0	111.3	F536 V547 Y548 K599 Y600 R602	F536-V552 HydrophobicContact CE2-CB 4.28Å; V547-V552 HydrophobicContact CB-CG2 4.11Å; V547-V552 HydrophobicContact CG1-CG2 4.26Å; Y548-V552 PolarHBondContact O-N 3.09Å; V552-K599 HydrophobicContact CG1-CB 3.86Å; V552-K599 HydrophobicContact CG1-CG 3.9Å; V552-Y600 WeakPolarHBondContact CA-O 3.4Å; V552-R602 PolarHBondContact O-NE 2.84Å; V552-R602 PolarHBondContact O-NH2 3.02Å
553	L	96.9	Very high	88.5	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	151	163	-179.9	63.3	0	0	0	108.8	I501 V533 L572 F583 K599 Y600 R602	I501-L553 HydrophobicContact CG2-CD1 3.85Å; I501-L553 HydrophobicContact CG2-CD2 4.18Å; V533-L553 HydrophobicContact CG1-CD1 3.91Å; L553-L572 HydrophobicContact CD2-CD2 3.72Å; L553-L572 HydrophobicContact CG-CD2 4.34Å; L553-F583 HydrophobicContact CD2-CB 3.73Å; L553-K599 WeakPolarHBondContact O-CA 2.97Å; L553-Y600 PolarHBondContact N-O 2.8Å; L553-Y600 WeakPolarHBondContact O-CD2 3.49Å; L553-Y600 PolarHBondContact O-N 2.8Å; L553-R602 HydrophobicContact CB-CB 4.28Å
554	C	96.2	Very high	88.4	Confident	2 Å²	2	52 Å²	52	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.4	-177.2	-62.4	0	0	0	0	113.5	V533 A534 C539 D598	V533-C554 WeakPolarHBondContact CA-O 3.43Å; A534-C554 HydrophobicContact CB-CB 3.91Å; A534-C554 PolarHBondContact N-O 3.5Å; C539-C554 HydrophobicContact CB-CB 3.44Å; C539-C554 VanDerWaalsContact CB-CB 3.44Å; C539-C554 WeakPolarHBondContact CB-SG 3.39Å; C539-C554 WeakPolarHBondContact SG-CB 3.25Å; C539-C554 CovalentContact SG-SG 2.01Å; C539-C554 PolarHBondContact SG-SG 3.34Å; C554-D598 CarbonylContact C-O 3.46Å; C554-D598 WeakPolarHBondContact CA-O 3.3Å
555	T	94.9	Very high	88.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148	168.8	59.8	0	0	0	0	111.9	A531 P532 L572 F597 D598 Y600	A531-T555 HydrophobicContact CB-CG2 4.03Å; P532-T555 CarbonylContact O-C 3.56Å; P532-T555 WeakPolarHBondContact O-CA 3.37Å; P532-T555 VanDerWaalsContact O-CB 3.3Å; P532-T555 WeakPolarHBondContact O-CB 3.27Å; T555-L572 HydrophobicContact CG2-CD1 3.89Å; T555-L572 HydrophobicContact CG2-CD2 3.85Å; T555-F597 WeakPolarHBondContact O-CA 3.41Å; T555-D598 PolarHBondContact N-O 3.47Å; T555-D598 PolarHBondContact O-N 3.18Å; T555-D598 VanDerWaalsContact O-N 3.16Å; T555-Y600 HydrophobicContact CG2-CD2 4.43Å; T555-Y600 HydrophobicContact CG2-CE2 3.56Å; T555-Y600 VanDerWaalsContact OG1-CE2 3.3Å; T555-Y600 WeakPolarHBondContact OG1-CE2 2.95Å; T555-Y600 PolarHBondContact OG1-OH 3.45Å
556	K	91.6	Very high	88.1	Confident	64 Å²	64	51.5 Å²	51.5	28%	0.278	25%	0.248	S	C	.	.			trans	-76	145.5	178	-50.2	-163.8	166.5	-156.7	0	110.6	P532 A534 E538 E558 F597	P532-K556 HydrophobicContact CG-CB 3.9Å; P532-K556 HydrophobicContact CG-CG 4.19Å; P532-K556 PolarHBondContact O-N 2.8Å; A534-K556 HydrophobicContact CB-CG 3.67Å; E538-K556 IonicContact OE1-NZ 2.72Å; E538-K556 WeakPolarHBondContact OE2-CE 3.36Å; E538-K556 IonicContact OE2-NZ 2.66Å; E538-K556 PolarHBondContact OE2-NZ 3.07Å; K556-E558 PolarHBondContact O-N 2.84Å; K556-F597 HydrophobicContact CB-CE1 4.35Å; K556-F597 HydrophobicContact CD-CE1 4.48Å; K556-F597 HydrophobicContact CG-CD1 4.36Å; K556-F597 HydrophobicContact CG-CE1 3.92Å
557	P	83.4	Confident	88.2	Confident	35 Å²	35	47.7 Å²	47.7	23%	0.227	22%	0.224	C	C	.	.			trans	-76.9	41.3	173	34.4	-36.5	0	0	0	111.9	S559 R560 A594 T596	P557-S559 PolarHBondContact O-N 2.75Å; P557-R560 WeakPolarHBondContact O-CA 3.2Å; P557-R560 PolarHBondContact O-N 3.49Å; P557-A594 WeakPolarHBondContact CB-O 3.24Å; P557-T596 WeakPolarHBondContact CB-O 3.36Å
558	E	76.7	Confident	88.3	Confident	119 Å²	119	48 Å²	48	56%	0.556	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-63.4	133	-176.2	-171.6	174.2	-179.9	0	0	110.1	P532 K556 R560 R561	P532-E558 HydrophobicContact CG-CB 4.14Å; P532-E558 WeakPolarHBondContact CG-OE2 3.2Å; K556-E558 PolarHBondContact O-N 2.84Å; E558-R560 PolarHBondContact O-N 3.04Å; E558-R560 VanDerWaalsContact O-N 3.09Å; E558-R561 WeakPolarHBondContact O-CB 3.43Å; E558-R561 PolarHBondContact O-N 2.93Å
559	S	68.6	Low	88.4	Confident	79 Å²	79	42.9 Å²	42.9	55%	0.552	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	51.9	29.9	-171.8	-57.7	0	0	0	0	113.2	N369 P557 R561	N369-S559 WeakPolarHBondContact CB-O 3.33Å; N369-S559 PolarHBondContact ND2-O 3.16Å; P557-S559 PolarHBondContact O-N 2.75Å; S559-R561 PolarHBondContact O-N 3.4Å
560	R	72.1	Confident	88.5	Confident	93 Å²	93	38.2 Å²	38.2	35%	0.351	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	48.4	40.9	-171.3	-57.2	-174.6	177.5	-169.3	1.1	112.6	R237 V368 P557 E558 A594	R237-R560 VanDerWaalsContact CZ-NH1 3.35Å; R237-R560 VanDerWaalsContact NH2-NH1 3.15Å; V368-R560 CarbonylContact C-O 3.26Å; V368-R560 VanDerWaalsContact C-O 3.26Å; V368-R560 VanDerWaalsContact CB-O 3.27Å; V368-R560 WeakPolarHBondContact CB-O 3.09Å; V368-R560 HydrophobicContact CG1-CB 4.44Å; V368-R560 WeakPolarHBondContact CG1-O 3.34Å; P557-R560 WeakPolarHBondContact O-CA 3.2Å; P557-R560 PolarHBondContact O-N 3.49Å; E558-R560 PolarHBondContact O-N 3.04Å; E558-R560 VanDerWaalsContact O-N 3.09Å; R560-A594 WeakPolarHBondContact CA-O 3.32Å; R560-A594 HydrophobicContact CB-CB 4.33Å; R560-A594 VanDerWaalsContact O-CB 3.23Å; R560-A594 WeakPolarHBondContact O-CB 3.23Å
561	R	77	Confident	88.7	Confident	72 Å²	72	32.9 Å²	32.9	27%	0.272	16%	0.16	S	C	.	.			trans	-93.6	141.3	170.8	-65.9	-179.9	174.2	161.2	9.3	111.2	V368 N369 T529 T530 E558 S559	V368-R561 VanDerWaalsContact O-CA 3.25Å; V368-R561 WeakPolarHBondContact O-CA 3.38Å; N369-R561 HydrophobicContact CB-CG 3.78Å; N369-R561 PolarHBondContact O-NE 3.04Å; T529-R561 HydrophobicContact CG2-CB 4.26Å; T529-R561 WeakPolarHBondContact OG1-CB 3.48Å; T529-R561 VanDerWaalsContact OG1-CD 3.29Å; T529-R561 WeakPolarHBondContact OG1-CD 3.38Å; T529-R561 WeakPolarHBondContact OG1-CG 3.43Å; T530-R561 WeakPolarHBondContact O-CB 3.44Å; T530-R561 VanDerWaalsContact O-CD 3.23Å; T530-R561 WeakPolarHBondContact O-CD 3.34Å; T530-R561 PolarHBondContact OG1-NH1 3.08Å; E558-R561 WeakPolarHBondContact O-CB 3.43Å; E558-R561 PolarHBondContact O-N 2.93Å; S559-R561 PolarHBondContact O-N 3.4Å
562	G	86	Confident	88.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	161.9	177.1	-174.6	0	0	0	0	0	112	I367 D598	I367-G562 WeakPolarHBondContact CG2-O 3.45Å; G562-D598 WeakPolarHBondContact CA-OD2 2.95Å
563	F	90.2	Very high	88.9	Confident	12 Å²	12	31 Å²	31	5%	0.053	15%	0.151	C	C	.	.			trans	-84.1	172	178.8	62.7	-107.2	0	0	0	112.4	I509 D567 V586 F588 C593 D598 Y600	I509-F563 HydrophobicContact CG2-CB 4.15Å; F563-D567 HydrophobicContact CB-CB 3.89Å; F563-V586 HydrophobicContact CB-CG1 4.04Å; F563-V586 HydrophobicContact CB-CG2 4.34Å; F563-V586 HydrophobicContact CD1-CB 4.38Å; F563-V586 HydrophobicContact CD1-CG1 3.65Å; F563-V586 HydrophobicContact CD1-CG2 4.02Å; F563-V586 HydrophobicContact CD2-CG1 3.56Å; F563-V586 HydrophobicContact CE1-CG1 3.83Å; F563-V586 HydrophobicContact CE2-CG1 3.81Å; F563-V586 HydrophobicContact CG-CG1 3.49Å; F563-V586 VanDerWaalsContact CG-CG1 3.49Å; F563-V586 HydrophobicContact CG-CG2 4.29Å; F563-V586 HydrophobicContact CZ-CG1 3.93Å; F563-F588 WeakPolarHBondContact CZ-O 3.49Å; F563-C593 WeakPolarHBondContact O-CB 3.48Å; F563-D598 HydrophobicContact CD1-CB 3.84Å; F563-D598 HydrophobicContact CE1-CB 3.41Å; F563-D598 VanDerWaalsContact CE1-CB 3.41Å; F563-D598 HydrophobicContact CZ-CB 3.97Å; F563-D598 PolarHBondContact N-OD2 3.4Å; F563-Y600 AromaticContact CD1-CE1 3.72Å; F563-Y600 HydrophobicContact CD1-CE1 3.72Å; F563-Y600 AromaticContact CD1-CZ 3.73Å; F563-Y600 HydrophobicContact CE1-CD1 4.34Å; F563-Y600 AromaticContact CE1-CE1 3.79Å; F563-Y600 HydrophobicContact CE1-CE1 3.79Å; F563-Y600 HydrophobicContact CE1-CE2 4.24Å; F563-Y600 AromaticContact CE1-CZ 3.73Å
564	C	87	Confident	88.8	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.034	15%	0.151	C	C	.	.			trans	-145.5	-172	171	-157.4	0	0	0	0	112.3	V368 K514 G566 D567 C593	V368-C564 HydrophobicContact CG2-CB 4.32Å; K514-C564 HydrophobicContact CB-CB 4.18Å; K514-C564 WeakPolarHBondContact O-CB 3.35Å; C564-G566 PolarHBondContact O-N 3.17Å; C564-D567 PolarHBondContact N-OD2 2.85Å; C564-D567 WeakPolarHBondContact O-CB 3.48Å; C564-D567 PolarHBondContact O-N 2.78Å; C564-D567 VanDerWaalsContact O-N 3.08Å; C564-C593 WeakPolarHBondContact CA-SG 3.49Å; C564-C593 HydrophobicContact CB-CB 3.58Å; C564-C593 WeakPolarHBondContact CB-SG 3.46Å; C564-C593 WeakPolarHBondContact SG-CB 3.49Å; C564-C593 CovalentContact SG-SG 2.03Å; C564-C593 PolarHBondContact SG-SG 3.39Å
565	Y	83.4	Confident	88.7	Confident	125 Å²	125	35.8 Å²	35.8	49%	0.49	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	130.9	179.9	-59.7	-73.6	0	0	0	111.5	G513 K514 H517	G513-Y565 CarbonylContact C-O 3.58Å; G513-Y565 VanDerWaalsContact CA-O 3.25Å; G513-Y565 WeakPolarHBondContact CA-O 3.4Å; K514-Y565 HydrophobicContact CD-CD2 4.21Å; K514-Y565 PolarHBondContact N-O 2.71Å; H517-Y565 AromaticContact CE1-CE2 3.73Å; H517-Y565 PolarHBondContact CE1-OH 3.03Å; H517-Y565 AromaticContact ND1-CE2 3.5Å; H517-Y565 WeakPolarHBondContact ND1-CE2 3.24Å
566	G	85.3	Confident	88.6	Confident	14 Å²	14	38.7 Å²	38.7	14%	0.144	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-15	-176.5	0	0	0	0	0	114.2	C564	C564-G566 PolarHBondContact O-N 3.17Å
567	D	93.5	Very high	88.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.21	C	C	.	.			trans	-85.3	-12.3	172.8	-60.6	-46.3	0	0	0	112.9	G511 G513 F563 C564 G569 G570 V586	G511-D567 VanDerWaalsContact CA-OD1 3.29Å; G511-D567 WeakPolarHBondContact CA-OD1 3.43Å; G513-D567 WeakPolarHBondContact CA-OD1 3.48Å; G513-D567 PolarHBondContact N-OD1 3.4Å; F563-D567 HydrophobicContact CB-CB 3.89Å; C564-D567 PolarHBondContact N-OD2 2.85Å; C564-D567 WeakPolarHBondContact O-CB 3.48Å; C564-D567 PolarHBondContact O-N 2.78Å; C564-D567 VanDerWaalsContact O-N 3.08Å; D567-G569 PolarHBondContact O-N 2.63Å; D567-G570 WeakPolarHBondContact O-CA 3.49Å; D567-G570 PolarHBondContact O-N 2.89Å; D567-V586 HydrophobicContact CB-CG1 4.38Å; D567-V586 WeakPolarHBondContact O-CB 3.38Å
568	S	95.3	Very high	88.5	Confident	23 Å²	23	47.4 Å²	47.4	16%	0.161	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.7	128.7	173.3	-75.7	0	0	0	0	113.2	C398 G399 H419 G570	C398-S568 CarbonylContact C-O 3.55Å; C398-S568 WeakPolarHBondContact CA-O 3.43Å; C398-S568 WeakPolarHBondContact CB-O 3.27Å; G399-S568 PolarHBondContact N-O 3.19Å; H419-S568 WeakPolarHBondContact NE2-CB 3.47Å; H419-S568 PolarHBondContact NE2-OG 2.75Å; S568-G570 PolarHBondContact O-N 3.28Å
569	G	97.5	Very high	89.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-12.7	-177.2	0	0	0	0	0	115.3	G399 G400 T416 D567 V586	G399-G569 VanDerWaalsContact C-C 3.45Å; G399-G569 CarbonylContact C-O 3.59Å; G399-G569 CarbonylContact O-C 3.55Å; G399-G569 WeakPolarHBondContact O-CA 3.39Å; G400-G569 WeakPolarHBondContact CA-O 3.44Å; T416-G569 WeakPolarHBondContact OG1-CA 3.44Å; D567-G569 PolarHBondContact O-N 2.63Å; G569-V586 PolarHBondContact N-O 2.74Å
570	G	97.5	Very high	90.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.204	C	C	.	.			trans	-63.7	160.6	172.4	0	0	0	0	0	112.7	D567 S568 V586	D567-G570 WeakPolarHBondContact O-CA 3.49Å; D567-G570 PolarHBondContact O-N 2.89Å; S568-G570 PolarHBondContact O-N 3.28Å; G570-V586 WeakPolarHBondContact O-CG2 3.27Å; G570-V586 PolarHBondContact O-N 2.71Å
571	P	98	Very high	91.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	143.2	-175	36.6	-36.8	0	0	0	112.7	M381 I573 Q582	M381-P571 HydrophobicContact CE-CG 4.48Å; M381-P571 WeakPolarHBondContact SD-CD 3.23Å; M381-P571 HydrophobicContact SD-CG 3.45Å; M381-P571 WeakPolarHBondContact SD-CG 3.33Å; P571-I573 HydrophobicContact CB-CG2 3.72Å; P571-I573 HydrophobicContact CG-CG2 4.07Å; P571-Q582 VanDerWaalsContact CB-CD 3.46Å; P571-Q582 HydrophobicContact CB-CG 3.75Å
572	L	97.8	Very high	92.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	109.6	157.8	179.7	73.4	0	0	0	107.6	C507 I509 L553 T555 Q582 F583 G584 Y600	C507-L572 HydrophobicContact CB-CD1 3.64Å; C507-L572 HydrophobicContact CB-CG 4Å; I509-L572 HydrophobicContact CD1-CD1 4.23Å; I509-L572 HydrophobicContact CG1-CD1 3.49Å; I509-L572 VanDerWaalsContact CG1-CD1 3.49Å; L553-L572 HydrophobicContact CD2-CD2 3.72Å; L553-L572 HydrophobicContact CG-CD2 4.34Å; T555-L572 HydrophobicContact CG2-CD1 3.89Å; T555-L572 HydrophobicContact CG2-CD2 3.85Å; L572-Q582 WeakPolarHBondContact O-CA 3.44Å; L572-F583 PolarHBondContact O-N 3.29Å; L572-G584 PolarHBondContact N-O 2.85Å; L572-G584 PolarHBondContact O-N 3.03Å; L572-Y600 HydrophobicContact CB-CD1 3.68Å; L572-Y600 HydrophobicContact CB-CE1 3.77Å; L572-Y600 HydrophobicContact CB-CG 4.27Å; L572-Y600 HydrophobicContact CD1-CE1 4.05Å; L572-Y600 HydrophobicContact CD2-CD1 4.2Å; L572-Y600 HydrophobicContact CD2-CD2 3.9Å; L572-Y600 HydrophobicContact CD2-CE1 4.26Å; L572-Y600 HydrophobicContact CD2-CE2 4.01Å; L572-Y600 HydrophobicContact CD2-CG 4.03Å; L572-Y600 HydrophobicContact CG-CD1 4.41Å; L572-Y600 HydrophobicContact CG-CE1 4.25Å
573	I	97.5	Very high	93.3	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.9	-174.8	66.1	-179.6	0	0	0	110.8	L378 W380 V492 C507 L508 P571 W580 V581 Q582	L378-I573 HydrophobicContact CD2-CD1 3.97Å; W380-I573 HydrophobicContact CZ2-CD1 3.59Å; V492-I573 HydrophobicContact CG2-CG2 3.82Å; C507-I573 CarbonylContact C-O 3.58Å; C507-I573 WeakPolarHBondContact CA-O 3.32Å; C507-I573 WeakPolarHBondContact CB-O 3Å; L508-I573 HydrophobicContact CB-CD1 4.17Å; L508-I573 HydrophobicContact CB-CG1 3.68Å; L508-I573 HydrophobicContact CD1-CD1 4.4Å; L508-I573 PolarHBondContact N-O 3.36Å; L508-I573 PolarHBondContact O-N 2.83Å; P571-I573 HydrophobicContact CB-CG2 3.72Å; P571-I573 HydrophobicContact CG-CG2 4.07Å; I573-W580 HydrophobicContact CB-CE3 4.17Å; I573-W580 HydrophobicContact CD1-CB 4.35Å; I573-W580 HydrophobicContact CD1-CD2 4.16Å; I573-W580 HydrophobicContact CD1-CE3 3.88Å; I573-W580 HydrophobicContact CD1-CG 4.37Å; I573-W580 HydrophobicContact CG1-CD2 4.42Å; I573-W580 HydrophobicContact CG1-CE3 3.68Å; I573-W580 HydrophobicContact CG1-CZ3 4.23Å; I573-V581 CarbonylContact C-O 3.57Å; I573-V581 VanDerWaalsContact CA-O 3.28Å; I573-V581 WeakPolarHBondContact CA-O 3.44Å; I573-Q582 HydrophobicContact CG2-CB 4.22Å
574	C	96.3	Very high	93.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	140	-178.2	-48.4	0	0	0	0	108.2	I501 T505 C507 Q576 V581 F583	I501-C574 HydrophobicContact CD1-CB 3.35Å; I501-C574 WeakPolarHBondContact CD1-SG 3.47Å; T505-C574 HydrophobicContact CG2-CB 4.41Å; C507-C574 HydrophobicContact CB-CB 4.07Å; C507-C574 WeakPolarHBondContact CB-SG 3.29Å; C507-C574 WeakPolarHBondContact SG-CB 3.35Å; C507-C574 CovalentContact SG-SG 2.03Å; C507-C574 PolarHBondContact SG-SG 2.76Å; C574-Q576 PolarHBondContact O-N 3.33Å; C574-V581 PolarHBondContact N-O 3.01Å; C574-V581 PolarHBondContact O-N 2.76Å; C574-F583 HydrophobicContact CB-CD2 3.83Å; C574-F583 HydrophobicContact CB-CE2 4.28Å
575	K	94	Very high	94.3	Very high	105 Å²	105	36 Å²	36	46%	0.457	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122	-179.1	-165.6	179.1	-178.1	-168	0	108.8	N577 W580	K575-N577 VanDerWaalsContact CE-O 3.26Å; K575-N577 WeakPolarHBondContact CE-O 3.44Å; K575-W580 HydrophobicContact CB-CD2 4.33Å; K575-W580 HydrophobicContact CB-CE3 4.04Å; K575-W580 HydrophobicContact CB-CH2 3.92Å; K575-W580 HydrophobicContact CB-CZ2 4.23Å; K575-W580 HydrophobicContact CB-CZ3 3.83Å; K575-W580 HydrophobicContact CD-CZ2 4.21Å; K575-W580 HydrophobicContact CG-CZ2 4.38Å
576	Q	92	Very high	94.9	Very high	60 Å²	60	30 Å²	30	28%	0.28	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.5	170.8	-71.2	-172.4	-29.3	0	0	109	E499 C574 D578 R579 V581 F583	E499-Q576 PolarHBondContact OE1-NE2 3.5Å; E499-Q576 PolarHBondContact OE1-OE1 3Å; C574-Q576 PolarHBondContact O-N 3.33Å; Q576-D578 PolarHBondContact O-N 2.89Å; Q576-D578 VanDerWaalsContact O-N 3.12Å; Q576-R579 PolarHBondContact N-O 2.98Å; Q576-R579 PolarHBondContact O-N 3.34Å; Q576-R579 VanDerWaalsContact O-O 3.09Å; Q576-V581 HydrophobicContact CB-CG2 4.11Å; Q576-V581 HydrophobicContact CG-CG2 4.34Å; Q576-F583 HydrophobicContact CG-CE2 4.37Å; Q576-F583 VanDerWaalsContact NE2-CZ 3.3Å
577	N	86.2	Confident	95.4	Very high	149 Å²	149	29.6 Å²	29.6	80%	0.797	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	-115.3	-168.8	-53	-56.8	0	0	0	110.2	K575	K575-N577 VanDerWaalsContact CE-O 3.26Å; K575-N577 WeakPolarHBondContact CE-O 3.44Å
578	D	85.5	Confident	95.4	Very high	133 Å²	133	30.4 Å²	30.4	71%	0.711	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	15.7	178.2	-66.8	-47.2	0	0	0	113.7	Q576	Q576-D578 PolarHBondContact O-N 2.89Å; Q576-D578 VanDerWaalsContact O-N 3.12Å
579	R	92	Very high	95	Very high	116 Å²	116	30.8 Å²	30.8	44%	0.438	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.1	179.9	-64.6	-169	-69	-109.8	4.4	111.9	C348 V350 Q576	C348-R579 WeakPolarHBondContact O-CD 3.26Å; V350-R579 HydrophobicContact CG2-CG 4.27Å; Q576-R579 PolarHBondContact N-O 2.98Å; Q576-R579 PolarHBondContact O-N 3.34Å; Q576-R579 VanDerWaalsContact O-O 3.09Å
580	W	95.9	Very high	93.9	Very high	14 Å²	14	33.2 Å²	33.2	5%	0.053	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125.4	171.1	-66.9	92.3	0	0	0	110.1	G349 I357 L359 W380 V492 C493 L508 I573 K575	G349-W580 VanDerWaalsContact CA-O 3.26Å; G349-W580 WeakPolarHBondContact CA-O 3.09Å; G349-W580 VanDerWaalsContact O-CD1 3.32Å; G349-W580 PolarHBondContact O-N 2.81Å; I357-W580 HydrophobicContact CD1-CD2 4.34Å; I357-W580 HydrophobicContact CD1-CG 4.39Å; I357-W580 HydrophobicContact CD1-CZ2 4.14Å; I357-W580 VanDerWaalsContact CD1-NE1 3.29Å; I357-W580 HydrophobicContact CG2-CZ2 4.11Å; L359-W580 HydrophobicContact CD2-CH2 3.77Å; L359-W580 HydrophobicContact CD2-CZ2 4.08Å; W380-W580 HydrophobicContact CH2-CB 3.91Å; W380-W580 AromaticContact CH2-CD1 3.76Å; W380-W580 AromaticContact CH2-CG 3.95Å; W380-W580 HydrophobicContact CH2-CG 3.95Å; W380-W580 HydrophobicContact CZ2-CB 4.02Å; W380-W580 HydrophobicContact CZ2-CG 4.1Å; V492-W580 HydrophobicContact CG2-CB 4.48Å; V492-W580 WeakPolarHBondContact CG2-O 3.42Å; C493-W580 WeakPolarHBondContact CB-O 3.39Å; C493-W580 PolarHBondContact N-O 3.02Å; C493-W580 VanDerWaalsContact N-O 3.15Å; L508-W580 HydrophobicContact CB-CZ3 4.14Å; L508-W580 HydrophobicContact CD1-CE3 4.16Å; L508-W580 HydrophobicContact CD1-CH2 3.19Å; L508-W580 HydrophobicContact CD1-CZ2 3.71Å; L508-W580 HydrophobicContact CD1-CZ3 3.44Å; L508-W580 VanDerWaalsContact CD1-CZ3 3.44Å; L508-W580 HydrophobicContact CG-CH2 3.61Å; L508-W580 HydrophobicContact CG-CZ3 3.57Å; I573-W580 HydrophobicContact CB-CE3 4.17Å; I573-W580 HydrophobicContact CD1-CB 4.35Å; I573-W580 HydrophobicContact CD1-CD2 4.16Å; I573-W580 HydrophobicContact CD1-CE3 3.88Å; I573-W580 HydrophobicContact CD1-CG 4.37Å; I573-W580 HydrophobicContact CG1-CD2 4.42Å; I573-W580 HydrophobicContact CG1-CE3 3.68Å; I573-W580 HydrophobicContact CG1-CZ3 4.23Å; K575-W580 HydrophobicContact CB-CD2 4.33Å; K575-W580 HydrophobicContact CB-CE3 4.04Å; K575-W580 HydrophobicContact CB-CH2 3.92Å; K575-W580 HydrophobicContact CB-CZ2 4.23Å; K575-W580 HydrophobicContact CB-CZ3 3.83Å; K575-W580 HydrophobicContact CD-CZ2 4.21Å; K575-W580 HydrophobicContact CG-CZ2 4.38Å
581	V	98.1	Very high	92.9	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132	-177.1	-175.7	0	0	0	0	108.9	C493 P495 I573 C574 Q576 F583	C493-V581 HydrophobicContact CB-CB 4.47Å; C493-V581 HydrophobicContact CB-CG2 3.99Å; C493-V581 WeakPolarHBondContact O-CA 3.33Å; P495-V581 HydrophobicContact CB-CG1 3.89Å; P495-V581 HydrophobicContact CG-CG1 4.45Å; I573-V581 CarbonylContact C-O 3.57Å; I573-V581 VanDerWaalsContact CA-O 3.28Å; I573-V581 WeakPolarHBondContact CA-O 3.44Å; C574-V581 PolarHBondContact N-O 3.01Å; C574-V581 PolarHBondContact O-N 2.76Å; Q576-V581 HydrophobicContact CB-CG2 4.11Å; Q576-V581 HydrophobicContact CG-CG2 4.34Å; V581-F583 HydrophobicContact CB-CD2 4.24Å; V581-F583 HydrophobicContact CB-CE2 3.77Å; V581-F583 HydrophobicContact CG1-CD2 4.1Å; V581-F583 HydrophobicContact CG1-CE2 3.62Å; V581-F583 HydrophobicContact CG1-CZ 4.1Å; V581-F583 PolarHBondContact O-N 2.91Å
582	Q	98.2	Very high	91.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	102.1	-178.1	-177.4	179.8	-11.1	0	0	111.4	S401 V492 C493 P495 P571 L572 I573 G584 V603	S401-Q582 VanDerWaalsContact CB-OE1 3.3Å; S401-Q582 PolarHBondContact OG-NE2 2.85Å; S401-Q582 PolarHBondContact OG-OE1 3.17Å; V492-Q582 HydrophobicContact CG1-CB 3.85Å; V492-Q582 VanDerWaalsContact CG1-OE1 3.25Å; V492-Q582 HydrophobicContact CG2-CB 4.03Å; C493-Q582 PolarHBondContact O-N 3.22Å; P495-Q582 WeakPolarHBondContact CD-O 3.32Å; P571-Q582 VanDerWaalsContact CB-CD 3.46Å; P571-Q582 HydrophobicContact CB-CG 3.75Å; L572-Q582 WeakPolarHBondContact O-CA 3.44Å; I573-Q582 HydrophobicContact CG2-CB 4.22Å; Q582-G584 WeakPolarHBondContact CG-O 3.35Å; Q582-G584 PolarHBondContact NE2-O 3.38Å; Q582-V603 HydrophobicContact CG-CG2 4.28Å; Q582-V603 WeakPolarHBondContact O-CB 3.44Å; Q582-V603 WeakPolarHBondContact O-CG1 3.43Å
583	F	98.4	Very high	91	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.009	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-19.8	177.8	-80.6	-86	0	0	0	113.8	P495 E499 I501 L553 L572 C574 Q576 V581 V603	P495-F583 HydrophobicContact CB-CD1 4.3Å; P495-F583 HydrophobicContact CB-CE1 3.85Å; P495-F583 HydrophobicContact CB-CZ 4.06Å; E499-F583 HydrophobicContact CB-CE1 4.34Å; E499-F583 HydrophobicContact CG-CE1 4.07Å; E499-F583 HydrophobicContact CG-CZ 4.21Å; I501-F583 HydrophobicContact CB-CD1 3.9Å; I501-F583 HydrophobicContact CB-CE1 3.95Å; I501-F583 HydrophobicContact CB-CG 4.25Å; I501-F583 HydrophobicContact CB-CZ 4.35Å; I501-F583 HydrophobicContact CD1-CD1 4.38Å; I501-F583 HydrophobicContact CD1-CD2 3.64Å; I501-F583 HydrophobicContact CD1-CE2 3.89Å; I501-F583 HydrophobicContact CD1-CG 3.9Å; I501-F583 HydrophobicContact CD1-CZ 4.38Å; I501-F583 HydrophobicContact CG2-CD1 4.02Å; I501-F583 HydrophobicContact CG2-CG 4.31Å; L553-F583 HydrophobicContact CD2-CB 3.73Å; L572-F583 PolarHBondContact O-N 3.29Å; C574-F583 HydrophobicContact CB-CD2 3.83Å; C574-F583 HydrophobicContact CB-CE2 4.28Å; Q576-F583 HydrophobicContact CG-CE2 4.37Å; Q576-F583 VanDerWaalsContact NE2-CZ 3.3Å; V581-F583 HydrophobicContact CB-CD2 4.24Å; V581-F583 HydrophobicContact CB-CE2 3.77Å; V581-F583 HydrophobicContact CG1-CD2 4.1Å; V581-F583 HydrophobicContact CG1-CE2 3.62Å; V581-F583 HydrophobicContact CG1-CZ 4.1Å; V581-F583 PolarHBondContact O-N 2.91Å; F583-V603 PolarHBondContact O-N 3.31Å
584	G	98.3	Very high	89.9	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.9	-177.1	0	0	0	0	0	114.3	L572 Q582 A601	L572-G584 PolarHBondContact N-O 2.85Å; L572-G584 PolarHBondContact O-N 3.03Å; Q582-G584 WeakPolarHBondContact CG-O 3.35Å; Q582-G584 PolarHBondContact NE2-O 3.38Å; G584-A601 WeakPolarHBondContact CA-O 3.33Å
585	V	98.6	Very high	89	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.7	164.1	174.9	0	0	0	0	108.2	L415 A417 S587 Y600 A601 V603	L415-V585 HydrophobicContact CD2-CG2 3.98Å; L415-V585 HydrophobicContact CG-CG2 4.09Å; A417-V585 HydrophobicContact CB-CG1 3.91Å; V585-S587 PolarHBondContact O-N 2.77Å; V585-S587 VanDerWaalsContact O-N 3.14Å; V585-Y600 CarbonylContact O-C 3.5Å; V585-Y600 WeakPolarHBondContact O-CA 3.5Å; V585-Y600 WeakPolarHBondContact O-CB 3.42Å; V585-A601 HydrophobicContact CB-CB 4.27Å; V585-A601 PolarHBondContact N-O 3.4Å; V585-A601 PolarHBondContact O-N 2.95Å; V585-V603 HydrophobicContact CG2-CG2 3.81Å
586	V	97.6	Very high	88.6	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	118.2	-179.4	173.4	0	0	0	0	110	I509 F563 D567 G569 G570 Y600	I509-V586 HydrophobicContact CG2-CG2 4.22Å; F563-V586 HydrophobicContact CB-CG1 4.04Å; F563-V586 HydrophobicContact CB-CG2 4.34Å; F563-V586 HydrophobicContact CD1-CB 4.38Å; F563-V586 HydrophobicContact CD1-CG1 3.65Å; F563-V586 HydrophobicContact CD1-CG2 4.02Å; F563-V586 HydrophobicContact CD2-CG1 3.56Å; F563-V586 HydrophobicContact CE1-CG1 3.83Å; F563-V586 HydrophobicContact CE2-CG1 3.81Å; F563-V586 HydrophobicContact CG-CG1 3.49Å; F563-V586 VanDerWaalsContact CG-CG1 3.49Å; F563-V586 HydrophobicContact CG-CG2 4.29Å; F563-V586 HydrophobicContact CZ-CG1 3.93Å; D567-V586 HydrophobicContact CB-CG1 4.38Å; D567-V586 WeakPolarHBondContact O-CB 3.38Å; G569-V586 PolarHBondContact N-O 2.74Å; G570-V586 WeakPolarHBondContact O-CG2 3.27Å; G570-V586 PolarHBondContact O-N 2.71Å; V586-Y600 HydrophobicContact CB-CD1 4.48Å; V586-Y600 HydrophobicContact CG2-CD1 4.04Å; V586-Y600 HydrophobicContact CG2-CE1 3.8Å
587	S	96.2	Very high	88.7	Confident	6 Å²	6	44 Å²	44	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-75.5	-171.3	-177.6	0	0	0	0	111.8	H419 D473 V585 K599	H419-S587 PolarHBondContact CE1-O 3.29Å; H419-S587 VanDerWaalsContact CE1-O 3.25Å; D473-S587 WeakPolarHBondContact CB-OG 3.41Å; D473-S587 WeakPolarHBondContact OD2-CA 3.44Å; D473-S587 WeakPolarHBondContact OD2-CB 3.06Å; D473-S587 PolarHBondContact OD2-OG 2.66Å; V585-S587 PolarHBondContact O-N 2.77Å; V585-S587 VanDerWaalsContact O-N 3.14Å; S587-K599 WeakPolarHBondContact CB-O 3.16Å; S587-K599 PolarHBondContact N-O 2.88Å
588	F	92.7	Very high	89	Confident	18 Å²	18	37 Å²	37	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159	-175.5	72.7	-81.6	0	0	0	114.3	F470 I545 V547 F563 K599	F470-F588 HydrophobicContact CB-CD1 3.5Å; F470-F588 VanDerWaalsContact CB-CD1 3.5Å; F470-F588 HydrophobicContact CB-CE1 3.63Å; F470-F588 HydrophobicContact CB-CG 4.25Å; F470-F588 HydrophobicContact CB-CZ 4.45Å; F470-F588 HydrophobicContact CD1-CB 3.89Å; F470-F588 HydrophobicContact CD1-CD1 4.01Å; F470-F588 HydrophobicContact CD1-CG 4.18Å; F470-F588 HydrophobicContact CD2-CB 4.32Å; F470-F588 HydrophobicContact CD2-CD1 4.18Å; F470-F588 HydrophobicContact CD2-CD2 4.44Å; F470-F588 HydrophobicContact CD2-CG 4.08Å; F470-F588 HydrophobicContact CE1-CB 3.9Å; F470-F588 HydrophobicContact CE2-CB 4.33Å; F470-F588 HydrophobicContact CE2-CG 4.49Å; F470-F588 HydrophobicContact CG-CB 4.11Å; F470-F588 AromaticContact CG-CD1 3.64Å; F470-F588 HydrophobicContact CG-CD1 3.64Å; F470-F588 HydrophobicContact CG-CE1 4.2Å; F470-F588 AromaticContact CG-CG 3.92Å; F470-F588 HydrophobicContact CG-CG 3.92Å; F470-F588 HydrophobicContact CZ-CB 4.13Å; I545-F588 HydrophobicContact CD1-CD2 4.11Å; I545-F588 HydrophobicContact CD1-CE1 4.35Å; I545-F588 HydrophobicContact CD1-CE2 3.31Å; I545-F588 HydrophobicContact CD1-CZ 3.46Å; I545-F588 VanDerWaalsContact CD1-CZ 3.46Å; I545-F588 HydrophobicContact CG1-CE2 4.21Å; I545-F588 HydrophobicContact CG1-CZ 4.5Å; V547-F588 HydrophobicContact CG1-CZ 3.77Å; F563-F588 WeakPolarHBondContact CZ-O 3.49Å; F588-K599 HydrophobicContact CD1-CB 4.16Å; F588-K599 HydrophobicContact CD2-CD 3.93Å; F588-K599 HydrophobicContact CE1-CB 3.91Å; F588-K599 HydrophobicContact CE1-CD 4.28Å; F588-K599 HydrophobicContact CE2-CB 4.48Å; F588-K599 HydrophobicContact CE2-CD 3.42Å; F588-K599 VanDerWaalsContact CE2-CD 3.42Å; F588-K599 HydrophobicContact CE2-CG 4.47Å; F588-K599 HydrophobicContact CZ-CB 4.09Å; F588-K599 HydrophobicContact CZ-CD 3.62Å; F588-K599 HydrophobicContact CZ-CG 4.25Å; F588-K599 PolarHBondContact N-O 2.86Å; F588-K599 WeakPolarHBondContact O-CB 3.3Å; F588-K599 PolarHBondContact O-N 2.9Å
589	S	86	Confident	89.5	Confident	30 Å²	30	30.7 Å²	30.7	21%	0.21	15%	0.148	C	C	.	.			trans	-139.6	131.4	170.2	-162.2	0	0	0	0	107.5	Q591 T596 D598	S589-Q591 PolarHBondContact O-N 3.1Å; S589-T596 PolarHBondContact OG-OG1 2.02Å; S589-D598 WeakPolarHBondContact CB-OD1 3.47Å; S589-D598 PolarHBondContact OG-OD1 3.3Å
590	P	74.9	Confident	89.8	Confident	52 Å²	52	25.2 Å²	25.2	34%	0.338	13%	0.127	S	C	.	.	S	Bend	trans	-73.1	-15.7	-170.8	29.5	-36.7	0	0	0	113.5	L543	L543-P590 HydrophobicContact CD2-CB 4.29Å; L543-P590 HydrophobicContact CD2-CG 3.81Å
591	Q	76.7	Confident	89.9	Confident	125 Å²	125	24.8 Å²	24.8	58%	0.584	13%	0.126	S	C	*	.	S	Bend	trans	-132.2	-158.4	-173.3	-61	-170	35.7	0	0	111	S589 T596	S589-Q591 PolarHBondContact O-N 3.1Å; Q591-T596 HydrophobicContact CB-CG2 3.84Å; Q591-T596 VanDerWaalsContact CD-CG2 3.49Å; Q591-T596 HydrophobicContact CG-CG2 3.87Å
592	R	76.2	Confident	89.9	Confident	131 Å²	131	25.7 Å²	25.7	49%	0.494	13%	0.129	S	C	.	.	S	Bend	trans	-63.4	145.8	178.2	-58	-177.4	-175.2	-171	3.7	109.7	H517 A594 T595	H517-R592 HydrophobicContact CB-CB 4.16Å; R592-A594 PolarHBondContact O-N 2.94Å; R592-T595 HydrophobicContact CB-CG2 3.79Å; R592-T595 PolarHBondContact N-OG1 3.38Å; R592-T595 PolarHBondContact O-N 3.03Å; R592-T595 VanDerWaalsContact O-N 3.1Å; R592-T595 PolarHBondContact O-OG1 3.23Å
593	C	79	Confident	89.9	Confident	16 Å²	16	25.7 Å²	25.7	11%	0.108	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	131.4	179.5	-53.8	0	0	0	0	111.7	V368 H517 F563 C564 T595	V368-C593 HydrophobicContact CG2-CB 3.77Å; H517-C593 HydrophobicContact CB-CB 4.46Å; F563-C593 WeakPolarHBondContact O-CB 3.48Å; C564-C593 WeakPolarHBondContact CA-SG 3.49Å; C564-C593 HydrophobicContact CB-CB 3.58Å; C564-C593 WeakPolarHBondContact CB-SG 3.46Å; C564-C593 WeakPolarHBondContact SG-CB 3.49Å; C564-C593 CovalentContact SG-SG 2.03Å; C564-C593 PolarHBondContact SG-SG 3.39Å; C593-T595 PolarHBondContact O-N 2.84Å; C593-T595 VanDerWaalsContact O-N 3.16Å
594	A	74.7	Confident	89.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	31.3	-178.3	0	0	0	0	0	116.2	V368 P557 R560 R592	V368-A594 HydrophobicContact CB-CB 3.62Å; V368-A594 HydrophobicContact CG1-CB 3.69Å; V368-A594 HydrophobicContact CG2-CB 3.92Å; P557-A594 WeakPolarHBondContact CB-O 3.24Å; R560-A594 WeakPolarHBondContact CA-O 3.32Å; R560-A594 HydrophobicContact CB-CB 4.33Å; R560-A594 VanDerWaalsContact O-CB 3.23Å; R560-A594 WeakPolarHBondContact O-CB 3.23Å; R592-A594 PolarHBondContact O-N 2.94Å
595	T	78.5	Confident	89.8	Confident	61 Å²	61	27.9 Å²	27.9	37%	0.374	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-18.2	168.4	61.9	0	0	0	0	113	R592 C593	R592-T595 HydrophobicContact CB-CG2 3.79Å; R592-T595 PolarHBondContact N-OG1 3.38Å; R592-T595 PolarHBondContact O-N 3.03Å; R592-T595 VanDerWaalsContact O-N 3.1Å; R592-T595 PolarHBondContact O-OG1 3.23Å; C593-T595 PolarHBondContact O-N 2.84Å; C593-T595 VanDerWaalsContact O-N 3.16Å
596	T	85.9	Confident	89.8	Confident	23 Å²	23	28.3 Å²	28.3	14%	0.141	14%	0.142	C	C	.	.	S	Bend	trans	-134.6	173.2	179.9	53.8	0	0	0	0	109.9	P557 S589 Q591 D598	P557-T596 WeakPolarHBondContact CB-O 3.36Å; S589-T596 PolarHBondContact OG-OG1 2.02Å; Q591-T596 HydrophobicContact CB-CG2 3.84Å; Q591-T596 VanDerWaalsContact CD-CG2 3.49Å; Q591-T596 HydrophobicContact CG-CG2 3.87Å; T596-D598 PolarHBondContact O-N 2.89Å
597	F	92.5	Very high	89.8	Confident	40 Å²	40	29.3 Å²	29.3	18%	0.175	15%	0.148	C	C	.	.			trans	-57.1	125	171.1	-59.1	-90.5	0	0	0	111.1	A534 E538 C539 T555 K556 K599	A534-F597 HydrophobicContact CB-CD1 3.54Å; A534-F597 HydrophobicContact CB-CE1 3.79Å; E538-F597 HydrophobicContact CB-CE1 4.47Å; E538-F597 HydrophobicContact CB-CZ 4.28Å; E538-F597 HydrophobicContact CG-CE1 4.01Å; E538-F597 HydrophobicContact CG-CE2 4.12Å; E538-F597 HydrophobicContact CG-CZ 3.45Å; E538-F597 VanDerWaalsContact CG-CZ 3.45Å; E538-F597 VanDerWaalsContact OE1-CZ 3.3Å; E538-F597 WeakPolarHBondContact OE1-CZ 3.22Å; C539-F597 HydrophobicContact CB-CB 4.17Å; C539-F597 HydrophobicContact CB-CD1 4.3Å; C539-F597 HydrophobicContact CB-CG 4.17Å; T555-F597 WeakPolarHBondContact O-CA 3.41Å; K556-F597 HydrophobicContact CB-CE1 4.35Å; K556-F597 HydrophobicContact CD-CE1 4.48Å; K556-F597 HydrophobicContact CG-CD1 4.36Å; K556-F597 HydrophobicContact CG-CE1 3.92Å; F597-K599 PolarHBondContact O-NZ 3.31Å
598	D	93.1	Very high	89.9	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139	173.1	-83.1	-7.9	0	0	0	109.2	C554 T555 G562 F563 S589 T596 Y600	C554-D598 CarbonylContact C-O 3.46Å; C554-D598 WeakPolarHBondContact CA-O 3.3Å; T555-D598 PolarHBondContact N-O 3.47Å; T555-D598 PolarHBondContact O-N 3.18Å; T555-D598 VanDerWaalsContact O-N 3.16Å; G562-D598 WeakPolarHBondContact CA-OD2 2.95Å; F563-D598 HydrophobicContact CD1-CB 3.84Å; F563-D598 HydrophobicContact CE1-CB 3.41Å; F563-D598 VanDerWaalsContact CE1-CB 3.41Å; F563-D598 HydrophobicContact CZ-CB 3.97Å; F563-D598 PolarHBondContact N-OD2 3.4Å; S589-D598 WeakPolarHBondContact CB-OD1 3.47Å; S589-D598 PolarHBondContact OG-OD1 3.3Å; T596-D598 PolarHBondContact O-N 2.89Å; D598-Y600 HydrophobicContact CB-CE2 4.05Å
599	K	96	Very high	90.2	Very high	2 Å²	2	36 Å²	36	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.8	-175.4	-64.1	127.7	170	67	0	111.6	C539 L543 V552 L553 S587 F588 F597	C539-K599 PolarHBondContact O-NZ 3.06Å; C539-K599 VanDerWaalsContact O-NZ 3.11Å; C539-K599 PolarHBondContact SG-NZ 2.95Å; L543-K599 VanDerWaalsContact CD1-CE 3.43Å; V552-K599 HydrophobicContact CG1-CB 3.86Å; V552-K599 HydrophobicContact CG1-CG 3.9Å; L553-K599 WeakPolarHBondContact O-CA 2.97Å; S587-K599 WeakPolarHBondContact CB-O 3.16Å; S587-K599 PolarHBondContact N-O 2.88Å; F588-K599 HydrophobicContact CD1-CB 4.16Å; F588-K599 HydrophobicContact CD2-CD 3.93Å; F588-K599 HydrophobicContact CE1-CB 3.91Å; F588-K599 HydrophobicContact CE1-CD 4.28Å; F588-K599 HydrophobicContact CE2-CB 4.48Å; F588-K599 HydrophobicContact CE2-CD 3.42Å; F588-K599 VanDerWaalsContact CE2-CD 3.42Å; F588-K599 HydrophobicContact CE2-CG 4.47Å; F588-K599 HydrophobicContact CZ-CB 4.09Å; F588-K599 HydrophobicContact CZ-CD 3.62Å; F588-K599 HydrophobicContact CZ-CG 4.25Å; F588-K599 PolarHBondContact N-O 2.86Å; F588-K599 WeakPolarHBondContact O-CB 3.3Å; F588-K599 PolarHBondContact O-N 2.9Å; F597-K599 PolarHBondContact O-NZ 3.31Å
600	Y	97.6	Very high	90.8	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.1	-174.8	-51.2	-99.6	0	0	0	109.2	I509 V552 L553 T555 F563 L572 V585 V586 D598 R602	I509-Y600 WeakPolarHBondContact CD1-OH 3.48Å; I509-Y600 HydrophobicContact CG1-CE1 4.42Å; V552-Y600 WeakPolarHBondContact CA-O 3.4Å; L553-Y600 PolarHBondContact N-O 2.8Å; L553-Y600 WeakPolarHBondContact O-CD2 3.49Å; L553-Y600 PolarHBondContact O-N 2.8Å; T555-Y600 HydrophobicContact CG2-CD2 4.43Å; T555-Y600 HydrophobicContact CG2-CE2 3.56Å; T555-Y600 VanDerWaalsContact OG1-CE2 3.3Å; T555-Y600 WeakPolarHBondContact OG1-CE2 2.95Å; T555-Y600 PolarHBondContact OG1-OH 3.45Å; F563-Y600 AromaticContact CD1-CE1 3.72Å; F563-Y600 HydrophobicContact CD1-CE1 3.72Å; F563-Y600 AromaticContact CD1-CZ 3.73Å; F563-Y600 HydrophobicContact CE1-CD1 4.34Å; F563-Y600 AromaticContact CE1-CE1 3.79Å; F563-Y600 HydrophobicContact CE1-CE1 3.79Å; F563-Y600 HydrophobicContact CE1-CE2 4.24Å; F563-Y600 AromaticContact CE1-CZ 3.73Å; L572-Y600 HydrophobicContact CB-CD1 3.68Å; L572-Y600 HydrophobicContact CB-CE1 3.77Å; L572-Y600 HydrophobicContact CB-CG 4.27Å; L572-Y600 HydrophobicContact CD1-CE1 4.05Å; L572-Y600 HydrophobicContact CD2-CD1 4.2Å; L572-Y600 HydrophobicContact CD2-CD2 3.9Å; L572-Y600 HydrophobicContact CD2-CE1 4.26Å; L572-Y600 HydrophobicContact CD2-CE2 4.01Å; L572-Y600 HydrophobicContact CD2-CG 4.03Å; L572-Y600 HydrophobicContact CG-CD1 4.41Å; L572-Y600 HydrophobicContact CG-CE1 4.25Å; V585-Y600 CarbonylContact O-C 3.5Å; V585-Y600 WeakPolarHBondContact O-CA 3.5Å; V585-Y600 WeakPolarHBondContact O-CB 3.42Å; V586-Y600 HydrophobicContact CB-CD1 4.48Å; V586-Y600 HydrophobicContact CG2-CD1 4.04Å; V586-Y600 HydrophobicContact CG2-CE1 3.8Å; D598-Y600 HydrophobicContact CB-CE2 4.05Å; Y600-R602 PolarHBondContact O-N 2.8Å
601	A	98	Very high	91.8	Very high	4 Å²	4	34 Å²	34	3%	0.033	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.6	165.5	0	0	0	0	0	108.6	D473 I474 Q551 G584 V585 V603	D473-A601 WeakPolarHBondContact O-CB 3.25Å; I474-A601 HydrophobicContact CB-CB 4.44Å; Q551-A601 WeakPolarHBondContact O-CA 3.39Å; G584-A601 WeakPolarHBondContact CA-O 3.33Å; V585-A601 HydrophobicContact CB-CB 4.27Å; V585-A601 PolarHBondContact N-O 3.4Å; V585-A601 PolarHBondContact O-N 2.95Å; A601-V603 PolarHBondContact O-N 3.01Å
602	R	98	Very high	92.8	Very high	28 Å²	28	33.4 Å²	33.4	11%	0.106	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	101.9	-175.7	-180	-177.5	-64.4	-93.1	4	111	E549 Q551 V552 L553 Y600 S604 N605 Y606	E549-R602 PolarHBondContact O-NE 2.58Å; E549-R602 PolarHBondContact O-NH2 2.7Å; Q551-R602 PolarHBondContact O-N 3.47Å; V552-R602 PolarHBondContact O-NE 2.84Å; V552-R602 PolarHBondContact O-NH2 3.02Å; L553-R602 HydrophobicContact CB-CB 4.28Å; Y600-R602 PolarHBondContact O-N 2.8Å; R602-S604 VanDerWaalsContact C-N 3.34Å; R602-S604 PolarHBondContact O-N 3.34Å; R602-N605 WeakPolarHBondContact CD-OD1 3.14Å; R602-N605 PolarHBondContact O-N 3.14Å; R602-Y606 WeakPolarHBondContact O-CD2 3.36Å; R602-Y606 WeakPolarHBondContact O-CE2 3.47Å
603	V	98.5	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-63.1	-36.5	-170	174.9	0	0	0	0	113.1	L415 L494 P495 Q582 F583 V585 A601 N605 Y606 I607 I610	L415-V603 HydrophobicContact CD2-CG1 4.14Å; L415-V603 HydrophobicContact CD2-CG2 4.14Å; L494-V603 HydrophobicContact CD2-CG1 4.08Å; P495-V603 HydrophobicContact CG-CB 4.41Å; P495-V603 HydrophobicContact CG-CG1 4.11Å; Q582-V603 HydrophobicContact CG-CG2 4.28Å; Q582-V603 WeakPolarHBondContact O-CB 3.44Å; Q582-V603 WeakPolarHBondContact O-CG1 3.43Å; F583-V603 PolarHBondContact O-N 3.31Å; V585-V603 HydrophobicContact CG2-CG2 3.81Å; A601-V603 PolarHBondContact O-N 3.01Å; V603-N605 PolarHBondContact O-N 3.48Å; V603-N605 VanDerWaalsContact O-N 3.11Å; V603-Y606 PolarHBondContact O-N 3.23Å; V603-I607 HydrophobicContact CG1-CD1 4.04Å; V603-I610 HydrophobicContact CG1-CD1 4.34Å
604	S	98	Very high	94.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-58.2	-25.9	-178.9	44.5	0	0	0	0	113.8	Q497 D498 E499 R602 Y606	Q497-S604 WeakPolarHBondContact CA-O 3.12Å; Q497-S604 PolarHBondContact NE2-O 2.99Å; D498-S604 PolarHBondContact N-O 3.1Å; E499-S604 VanDerWaalsContact O-CB 3.22Å; E499-S604 WeakPolarHBondContact O-CB 3.39Å; E499-S604 PolarHBondContact O-OG 3.5Å; R602-S604 VanDerWaalsContact C-N 3.34Å; R602-S604 PolarHBondContact O-N 3.34Å; S604-Y606 VanDerWaalsContact C-N 3.33Å
605	N	97.7	Very high	95.6	Very high	47 Å²	47	34.7 Å²	34.7	25%	0.251	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-85.1	-4.3	178.4	-71.4	55.3	0	0	0	113.6	E550 R602 V603	E550-N605 WeakPolarHBondContact CA-ND2 3.32Å; E550-N605 WeakPolarHBondContact CB-ND2 3.25Å; E550-N605 WeakPolarHBondContact O-CB 3.3Å; E550-N605 PolarHBondContact O-ND2 3.19Å; E550-N605 VanDerWaalsContact O-ND2 3.08Å; R602-N605 WeakPolarHBondContact CD-OD1 3.14Å; R602-N605 PolarHBondContact O-N 3.14Å; V603-N605 PolarHBondContact O-N 3.48Å; V603-N605 VanDerWaalsContact O-N 3.11Å
606	Y	98.3	Very high	96.5	Very high	8 Å²	8	37.4 Å²	37.4	3%	0.031	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-117.1	11.1	-179.9	-56.2	-82.7	0	0	0	113.1	H462 N472 I474 R602 V603 S604 W609 I610	H462-Y606 AromaticContact CD2-CD1 3.74Å; H462-Y606 AromaticContact CD2-CE1 3.85Å; H462-Y606 AromaticContact NE2-CD1 3.92Å; H462-Y606 AromaticContact NE2-CE1 3.87Å; N472-Y606 WeakPolarHBondContact CA-OH 3.48Å; N472-Y606 HydrophobicContact CB-CE1 4.17Å; N472-Y606 PolarHBondContact OD1-OH 3.01Å; I474-Y606 HydrophobicContact CD1-CD2 3.73Å; I474-Y606 HydrophobicContact CD1-CG 3.81Å; I474-Y606 HydrophobicContact CG2-CD1 3.76Å; I474-Y606 HydrophobicContact CG2-CD2 4.28Å; I474-Y606 HydrophobicContact CG2-CE1 3.92Å; I474-Y606 HydrophobicContact CG2-CE2 4.46Å; I474-Y606 HydrophobicContact CG2-CG 3.96Å; R602-Y606 WeakPolarHBondContact O-CD2 3.36Å; R602-Y606 WeakPolarHBondContact O-CE2 3.47Å; V603-Y606 PolarHBondContact O-N 3.23Å; S604-Y606 VanDerWaalsContact C-N 3.33Å; Y606-W609 WeakPolarHBondContact O-CB 3.44Å; Y606-W609 PolarHBondContact O-N 3.21Å; Y606-I610 VanDerWaalsContact O-CG1 3.25Å; Y606-I610 WeakPolarHBondContact O-CG1 3.34Å; Y606-I610 PolarHBondContact O-N 2.95Å
607	I	98.3	Very high	96.9	Very high	22 Å²	22	37.4 Å²	37.4	11%	0.113	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-49.3	-176	-60.7	-58.5	0	0	0	111.5	L494 P495 Q497 V603 W609 I610 V611	L494-I607 HydrophobicContact CB-CD1 3.95Å; L494-I607 HydrophobicContact CD1-CD1 4.47Å; P495-I607 HydrophobicContact CG-CD1 4.09Å; P495-I607 WeakPolarHBondContact O-CD1 3.5Å; P495-I607 WeakPolarHBondContact O-CG1 3.29Å; Q497-I607 HydrophobicContact CB-CB 4.36Å; V603-I607 HydrophobicContact CG1-CD1 4.04Å; I607-W609 VanDerWaalsContact C-N 3.26Å; I607-W609 PolarHBondContact O-N 2.73Å; I607-I610 HydrophobicContact CD1-CD1 4.4Å; I607-I610 PolarHBondContact O-N 3.46Å; I607-V611 WeakPolarHBondContact O-CG2 3.1Å; I607-V611 PolarHBondContact O-N 3.25Å
608	E	97.7	Very high	96.8	Very high	142 Å²	142	39 Å²	39	66%	0.664	19%	0.194	S	C	*	.	H	α-helix	trans	-57.7	-40.9	175	-74.6	-175.9	177.4	0	0	112.1	Q497 V611 Q612	Q497-E608 HydrophobicContact CG-CG 4.24Å; E608-V611 PolarHBondContact O-N 3.19Å; E608-Q612 WeakPolarHBondContact O-CB 3.47Å; E608-Q612 PolarHBondContact O-N 2.78Å
609	W	98.1	Very high	96.3	Very high	21 Å²	21	41.1 Å²	41.1	8%	0.08	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-48	176	178.3	90.4	0	0	0	111.3	K460 H462 E463 I474 L476 Y606 I607 V611 Q612 Q613	K460-W609 HydrophobicContact CB-CZ2 4.46Å; K460-W609 HydrophobicContact CG-CZ2 3.85Å; H462-W609 HydrophobicContact CB-CZ2 4Å; H462-W609 AromaticContact CD2-CD1 3.6Å; H462-W609 AromaticContact CD2-CD2 3.85Å; H462-W609 AromaticContact CD2-CE2 3.66Å; H462-W609 AromaticContact CD2-CG 3.84Å; H462-W609 AromaticContact CD2-NE1 3.47Å; H462-W609 PolarHBondContact CD2-NE1 3.16Å; H462-W609 AromaticContact NE2-CD1 3.93Å; E463-W609 PolarHBondContact OE2-NE1 3.36Å; I474-W609 HydrophobicContact CG2-CZ3 4.29Å; L476-W609 HydrophobicContact CB-CH2 4.06Å; L476-W609 HydrophobicContact CB-CZ3 4.06Å; Y606-W609 WeakPolarHBondContact O-CB 3.44Å; Y606-W609 PolarHBondContact O-N 3.21Å; I607-W609 VanDerWaalsContact C-N 3.26Å; I607-W609 PolarHBondContact O-N 2.73Å; W609-V611 VanDerWaalsContact C-N 3.34Å; W609-V611 PolarHBondContact O-N 3.19Å; W609-Q612 PolarHBondContact O-N 2.69Å; W609-Q613 HydrophobicContact CD2-CG 3.8Å; W609-Q613 VanDerWaalsContact CE2-CG 3.45Å; W609-Q613 HydrophobicContact CE3-CG 4.32Å; W609-Q613 HydrophobicContact CG-CG 4.25Å; W609-Q613 HydrophobicContact CH2-CG 4.2Å; W609-Q613 HydrophobicContact CZ2-CG 3.67Å; W609-Q613 VanDerWaalsContact O-CG 3.27Å; W609-Q613 WeakPolarHBondContact O-CG 3.39Å; W609-Q613 PolarHBondContact O-N 2.84Å
610	I	98.3	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-48.3	178	-68.9	166.2	0	0	0	110.1	I403 V405 L415 I474 L476 L494 V603 Y606 I607 Q612 Q613 D614	I403-I610 HydrophobicContact CD1-CG2 3.84Å; V405-I610 HydrophobicContact CG1-CG2 3.87Å; L415-I610 HydrophobicContact CD1-CD1 3.91Å; L415-I610 HydrophobicContact CD1-CG1 4.17Å; L415-I610 HydrophobicContact CD2-CD1 4.14Å; I474-I610 HydrophobicContact CD1-CD1 4.46Å; L476-I610 HydrophobicContact CD1-CG2 4.27Å; L494-I610 HydrophobicContact CD1-CG2 4.35Å; V603-I610 HydrophobicContact CG1-CD1 4.34Å; Y606-I610 VanDerWaalsContact O-CG1 3.25Å; Y606-I610 WeakPolarHBondContact O-CG1 3.34Å; Y606-I610 PolarHBondContact O-N 2.95Å; I607-I610 HydrophobicContact CD1-CD1 4.4Å; I607-I610 PolarHBondContact O-N 3.46Å; I610-Q612 VanDerWaalsContact C-N 3.34Å; I610-Q612 PolarHBondContact O-N 2.85Å; I610-Q613 PolarHBondContact O-N 3.33Å; I610-D614 PolarHBondContact O-N 2.77Å
611	V	97.6	Very high	95.2	Very high	42 Å²	42	52.4 Å²	52.4	26%	0.255	27%	0.267	S	S	.	.	H	α-helix	trans	-63.9	-39.2	179.1	173.2	0	0	0	0	111.6	V405 I607 E608 W609 K615	V405-V611 HydrophobicContact CB-CG2 4.28Å; V405-V611 HydrophobicContact CG1-CG2 4.08Å; I607-V611 WeakPolarHBondContact O-CG2 3.1Å; I607-V611 PolarHBondContact O-N 3.25Å; E608-V611 PolarHBondContact O-N 3.19Å; W609-V611 VanDerWaalsContact C-N 3.34Å; W609-V611 PolarHBondContact O-N 3.19Å; V611-K615 WeakPolarHBondContact O-CG 3.17Å
612	Q	97.5	Very high	94.9	Very high	112 Å²	112	57.9 Å²	57.9	52%	0.523	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-44.5	176.5	-173.6	179.1	19	0	0	111.6	E608 W609 I610 K615 L616	E608-Q612 WeakPolarHBondContact O-CB 3.47Å; E608-Q612 PolarHBondContact O-N 2.78Å; W609-Q612 PolarHBondContact O-N 2.69Å; I610-Q612 VanDerWaalsContact C-N 3.34Å; I610-Q612 PolarHBondContact O-N 2.85Å; Q612-K615 PolarHBondContact O-N 2.85Å; Q612-L616 HydrophobicContact CG-CD1 4.13Å; Q612-L616 WeakPolarHBondContact O-CG 3.3Å; Q612-L616 PolarHBondContact O-N 2.93Å
613	Q	97.5	Very high	94.6	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-70.4	-33.8	-177.8	-61.3	-41.2	-49.4	0	0	112.6	K460 L476 W609 I610 K615 L616 L617	K460-Q613 HydrophobicContact CB-CB 4.5Å; K460-Q613 HydrophobicContact CB-CG 4.39Å; K460-Q613 HydrophobicContact CG-CB 4.5Å; K460-Q613 HydrophobicContact CG-CG 3.91Å; L476-Q613 HydrophobicContact CD2-CB 3.74Å; W609-Q613 HydrophobicContact CD2-CG 3.8Å; W609-Q613 VanDerWaalsContact CE2-CG 3.45Å; W609-Q613 HydrophobicContact CE3-CG 4.32Å; W609-Q613 HydrophobicContact CG-CG 4.25Å; W609-Q613 HydrophobicContact CH2-CG 4.2Å; W609-Q613 HydrophobicContact CZ2-CG 3.67Å; W609-Q613 VanDerWaalsContact O-CG 3.27Å; W609-Q613 WeakPolarHBondContact O-CG 3.39Å; W609-Q613 PolarHBondContact O-N 2.84Å; I610-Q613 PolarHBondContact O-N 3.33Å; Q613-K615 VanDerWaalsContact C-N 3.26Å; Q613-K615 PolarHBondContact O-N 3.41Å; Q613-L616 PolarHBondContact O-N 2.92Å; Q613-L616 VanDerWaalsContact O-N 3.15Å; Q613-L617 WeakPolarHBondContact O-CB 3.26Å; Q613-L617 WeakPolarHBondContact O-CG 3.38Å; Q613-L617 PolarHBondContact O-N 3.09Å
614	D	95.9	Very high	94.3	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.08	31%	0.309	C	S	.	.	H	α-helix	trans	-56.3	-42.2	172.1	174.8	46.7	0	0	0	111.8	V405 H406 L413 L476 K478 I610 L616	V405-D614 HydrophobicContact CG2-CB 4.08Å; V405-D614 WeakPolarHBondContact CG2-OD2 3.46Å; H406-D614 IonicContact CD2-OD2 2.86Å; H406-D614 PolarHBondContact CD2-OD2 3.24Å; H406-D614 IonicContact NE2-OD2 2.69Å; L413-D614 HydrophobicContact CD1-CB 4.2Å; L413-D614 HydrophobicContact CD2-CB 4.41Å; L413-D614 WeakPolarHBondContact CD2-OD1 3.25Å; L476-D614 HydrophobicContact CD2-CB 4.42Å; K478-D614 WeakPolarHBondContact CE-O 3.34Å; K478-D614 WeakPolarHBondContact CE-OD1 3.41Å; K478-D614 IonicContact NZ-OD1 2.67Å; K478-D614 PolarHBondContact NZ-OD1 2.83Å; I610-D614 PolarHBondContact O-N 2.77Å; D614-L616 VanDerWaalsContact C-N 3.34Å; D614-L616 PolarHBondContact O-N 2.88Å
615	K	95.3	Very high	93.9	Very high	152 Å²	152	62.9 Å²	62.9	66%	0.661	32%	0.319	S	S	*	.	H	α-helix	trans	-67.6	-31.7	177.7	-66.8	173.8	-176.7	173.8	0	113.5	V611 Q612 Q613	V611-K615 WeakPolarHBondContact O-CG 3.17Å; Q612-K615 PolarHBondContact O-N 2.85Å; Q613-K615 VanDerWaalsContact C-N 3.26Å; Q613-K615 PolarHBondContact O-N 3.41Å
616	L	95.9	Very high	93.3	Very high	118 Å²	118	61.3 Å²	61.3	62%	0.618	31%	0.31	S	S	*	.	H	α-helix	trans	-86.8	-31.3	-175.5	-68.4	175.4	0	0	0	112.9	Q612 Q613 D614	Q612-L616 HydrophobicContact CG-CD1 4.13Å; Q612-L616 WeakPolarHBondContact O-CG 3.3Å; Q612-L616 PolarHBondContact O-N 2.93Å; Q613-L616 PolarHBondContact O-N 2.92Å; Q613-L616 VanDerWaalsContact O-N 3.15Å; D614-L616 VanDerWaalsContact C-N 3.34Å; D614-L616 PolarHBondContact O-N 2.88Å
617	L	94.2	Very high	92.4	Very high	23 Å²	23	65.8 Å²	65.8	12%	0.12	33%	0.331	C	S	.	.	S	Bend	trans	-74.9	141.3	179.7	-70.1	172.8	0	0	0	111	K460 L476 K478 Q613 G619	K460-L617 HydrophobicContact CB-CD1 4.14Å; K460-L617 HydrophobicContact CB-CD2 4.32Å; L476-L617 HydrophobicContact CD2-CD1 4.26Å; L476-L617 HydrophobicContact CG-CD1 4.46Å; K478-L617 HydrophobicContact CD-CB 3.7Å; K478-L617 HydrophobicContact CG-CB 3.77Å; K478-L617 HydrophobicContact CG-CD1 3.96Å; Q613-L617 WeakPolarHBondContact O-CB 3.26Å; Q613-L617 WeakPolarHBondContact O-CG 3.38Å; Q613-L617 PolarHBondContact O-N 3.09Å; L617-G619 PolarHBondContact O-N 3.22Å
618	P	91.7	Very high	91.8	Very high	74 Å²	74	66.2 Å²	66.2	48%	0.481	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-57.5	121.3	177.4	-22.5	31.7	0	0	0	111.7	Q457 K478	Q457-P618 PolarHBondContact OE1-O 3.35Å; K478-P618 VanDerWaalsContact CD-O 3.22Å; K478-P618 WeakPolarHBondContact CD-O 3.4Å
619	G	82.6	Confident	91	Very high	45 Å²	45	59.7 Å²	59.7	46%	0.464	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-67.3	151.4	175.5	0	0	0	0	0	112.7	L617	L617-G619 PolarHBondContact O-N 3.22Å
620	T	87	Confident	89.7	Confident	29 Å²	29	59.5 Å²	59.5	18%	0.178	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-78.6	147.1	171.7	179.9	0	0	0	0	112.1	D412 E480 A482 E622	D412-T620 HydrophobicContact CB-CG2 3.46Å; D412-T620 VanDerWaalsContact CB-CG2 3.46Å; E480-T620 PolarHBondContact O-OG1 2.69Å; A482-T620 HydrophobicContact CB-CG2 3.69Å; T620-E622 PolarHBondContact OG1-N 3.14Å; T620-E622 PolarHBondContact OG1-O 3.15Å
621	K	83.7	Confident	88.2	Confident	211 Å²	211	60.8 Å²	60.8	92%	0.917	31%	0.311	S	S	*	.			trans	-108	-9.7	173.9	-64.7	-177.2	-179.7	178.8	0	113.2
622	E	92	Very high	86.5	Confident	118 Å²	118	62.5 Å²	62.5	55%	0.551	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.3	-176.4	-69.4	-173.3	-162.9	0	0	110.2	K481 A482 T620	K481-E622 CarbonylContact C-O 3.59Å; K481-E622 VanDerWaalsContact CA-O 3.32Å; K481-E622 WeakPolarHBondContact CA-O 3.38Å; K481-E622 WeakPolarHBondContact CE-OE2 3.22Å; K481-E622 HydrophobicContact CG-CB 3.96Å; K481-E622 IonicContact NZ-OE2 3.62Å; A482-E622 PolarHBondContact N-O 3.12Å; T620-E622 PolarHBondContact OG1-N 3.14Å; T620-E622 PolarHBondContact OG1-O 3.15Å
623	E	91.3	Very high	84.6	Confident	91 Å²	91	62.1 Å²	62.1	43%	0.425	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.3	172	-168.3	170.3	110.3	0	0	109.4	R410 P484	R410-E623 IonicContact CZ-OE2 3.79Å; R410-E623 IonicContact NE-OE2 3.02Å; R410-E623 IonicContact NH1-OE2 2.74Å; R410-E623 PolarHBondContact NH1-OE2 2.97Å; P484-E623 HydrophobicContact CG-CG 4.38Å
624	F	92.5	Very high	82.3	Confident	8 Å²	8	64 Å²	64	4%	0.035	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.4	134.2	175	-170.6	-88.7	0	0	0	109.6	R451 R453 V454 K481 A482 Y626 D628 L629	R451-F624 WeakPolarHBondContact O-CZ 3.35Å; R453-F624 WeakPolarHBondContact O-CE2 3.36Å; V454-F624 HydrophobicContact CB-CD2 3.8Å; V454-F624 HydrophobicContact CB-CE2 3.78Å; V454-F624 HydrophobicContact CG2-CD2 4.12Å; K481-F624 HydrophobicContact CB-CB 4.05Å; K481-F624 HydrophobicContact CB-CD2 4.34Å; K481-F624 HydrophobicContact CD-CD2 4.46Å; A482-F624 WeakPolarHBondContact O-CB 3.39Å; A482-F624 PolarHBondContact O-N 3.4Å; F624-Y626 PolarHBondContact O-N 3.31Å; F624-Y626 VanDerWaalsContact O-N 3.09Å; F624-D628 HydrophobicContact CE1-CB 3.7Å; F624-D628 HydrophobicContact CZ-CB 4.16Å; F624-L629 HydrophobicContact CD1-CD1 4.02Å; F624-L629 HydrophobicContact CD1-CD2 3.78Å; F624-L629 HydrophobicContact CD1-CG 3.69Å; F624-L629 HydrophobicContact CE1-CD2 3.52Å; F624-L629 HydrophobicContact CE1-CG 3.76Å; F624-L629 HydrophobicContact CZ-CD2 4.49Å
625	P	89.9	Confident	80	Confident	35 Å²	35	67.4 Å²	67.4	23%	0.227	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-58.5	117.7	-177.1	-22.4	32.7	0	0	0	111.6	E627 D628	P625-E627 HydrophobicContact CB-CG 4.15Å; P625-E627 PolarHBondContact O-N 3.42Å; P625-D628 HydrophobicContact CB-CB 4.38Å; P625-D628 WeakPolarHBondContact O-CB 3.42Å; P625-D628 PolarHBondContact O-N 2.63Å
626	Y	83.2	Confident	77.4	Confident	14 Å²	14	67 Å²	67	6%	0.055	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-64.8	-31.9	-175	-169.5	-91.6	0	0	0	112.2	K337 P338 P484 F624 D628 L629	K337-Y626 HydrophobicContact CD-CD1 4.42Å; K337-Y626 HydrophobicContact CG-CD1 3.47Å; K337-Y626 VanDerWaalsContact CG-CD1 3.47Å; K337-Y626 HydrophobicContact CG-CE1 3.8Å; K337-Y626 HydrophobicContact CG-CG 4.44Å; P338-Y626 HydrophobicContact CB-CE1 3.97Å; P338-Y626 WeakPolarHBondContact CB-OH 3.28Å; P338-Y626 HydrophobicContact CG-CD1 4.48Å; P338-Y626 HydrophobicContact CG-CE1 3.38Å; P338-Y626 VanDerWaalsContact CG-OH 3.27Å; P338-Y626 WeakPolarHBondContact CG-OH 3.46Å; P338-Y626 WeakPolarHBondContact O-CE1 3.5Å; P338-Y626 PolarHBondContact O-OH 3.43Å; P484-Y626 HydrophobicContact CB-CD2 3.97Å; P484-Y626 HydrophobicContact CB-CE2 4.46Å; P484-Y626 HydrophobicContact CG-CD2 3.65Å; P484-Y626 HydrophobicContact CG-CE2 4.47Å; F624-Y626 PolarHBondContact O-N 3.31Å; F624-Y626 VanDerWaalsContact O-N 3.09Å; Y626-D628 PolarHBondContact O-N 2.69Å; Y626-L629 WeakPolarHBondContact O-CB 3.32Å; Y626-L629 PolarHBondContact O-N 2.91Å
627	E	80.6	Confident	75.4	Confident	102 Å²	102	64.4 Å²	64.4	48%	0.477	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-62.6	-18.4	173.1	57.2	-91.7	-150.6	0	0	114.5	P625	P625-E627 HydrophobicContact CB-CG 4.15Å; P625-E627 PolarHBondContact O-N 3.42Å
628	D	84.9	Confident	73.3	Confident	31 Å²	31	67.6 Å²	67.6	17%	0.166	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-85.9	-19.2	173.1	-71.6	-28.7	0	0	0	112	R451 K452 F624 P625 Y626 V630	R451-D628 HydrophobicContact CB-CB 4.28Å; R451-D628 IonicContact CZ-OD1 2.93Å; R451-D628 IonicContact NE-OD1 3.17Å; R451-D628 PolarHBondContact NE-OD1 3.09Å; R451-D628 IonicContact NH2-OD1 2.69Å; R451-D628 PolarHBondContact NH2-OD1 2.8Å; R451-D628 WeakPolarHBondContact O-CB 3.05Å; K452-D628 WeakPolarHBondContact CE-O 3.29Å; K452-D628 WeakPolarHBondContact CG-O 3.02Å; F624-D628 HydrophobicContact CE1-CB 3.7Å; F624-D628 HydrophobicContact CZ-CB 4.16Å; P625-D628 HydrophobicContact CB-CB 4.38Å; P625-D628 WeakPolarHBondContact O-CB 3.42Å; P625-D628 PolarHBondContact O-N 2.63Å; Y626-D628 PolarHBondContact O-N 2.69Å; D628-V630 PolarHBondContact O-N 3.17Å
629	L	82	Confident	70.9	Confident	6 Å²	6	70 Å²	70	3%	0.031	36%	0.359	C	S	.	.	S	Bend	trans	-88.7	24.3	176.1	-59.8	-179.8	0	0	0	113.3	V439 V483 P484 I488 T489 F624 Y626	V439-L629 HydrophobicContact CG2-CD2 3.64Å; V483-L629 HydrophobicContact CG1-CD1 4.09Å; P484-L629 HydrophobicContact CG-CD1 3.75Å; I488-L629 WeakPolarHBondContact CD1-O 3.21Å; T489-L629 HydrophobicContact CG2-CD1 4.15Å; T489-L629 HydrophobicContact CG2-CD2 3.95Å; F624-L629 HydrophobicContact CD1-CD1 4.02Å; F624-L629 HydrophobicContact CD1-CD2 3.78Å; F624-L629 HydrophobicContact CD1-CG 3.69Å; F624-L629 HydrophobicContact CE1-CD2 3.52Å; F624-L629 HydrophobicContact CE1-CG 3.76Å; F624-L629 HydrophobicContact CZ-CD2 4.49Å; Y626-L629 WeakPolarHBondContact O-CB 3.32Å; Y626-L629 PolarHBondContact O-N 2.91Å
630	V	69.8	Low	69	Low	16 Å²	16	72.8 Å²	72.8	10%	0.097	37%	0.368	C	S	.	.			trans	-92.5	140.3	177.8	-164.8	0	0	0	0	110.9	A335 K452 D628 Y632	A335-V630 HydrophobicContact CB-CB 4Å; A335-V630 HydrophobicContact CB-CG1 3.2Å; A335-V630 HydrophobicContact CB-CG2 4.44Å; K452-V630 WeakPolarHBondContact CE-O 3.2Å; K452-V630 PolarHBondContact NZ-O 3.3Å; D628-V630 PolarHBondContact O-N 3.17Å; V630-Y632 PolarHBondContact O-N 2.93Å
631	E	67.1	Low	66.9	Low	28 Å²	28	73.1 Å²	73.1	13%	0.131	38%	0.377	C	S	.	.			trans	-68.6	122.4	173.5	-177.1	-172.3	-155.3	0	0	110.3	Y355 K375 H376 R633	Y355-E631 PolarHBondContact OH-OE2 2.94Å; K375-E631 VanDerWaalsContact CD-OE1 3.28Å; K375-E631 WeakPolarHBondContact CD-OE1 3.5Å; K375-E631 WeakPolarHBondContact CE-OE1 3.23Å; K375-E631 IonicContact NZ-OE1 2.87Å; K375-E631 PolarHBondContact NZ-OE1 2.96Å; H376-E631 IonicContact CD2-OE1 3.81Å; H376-E631 IonicContact NE2-OE1 3.57Å; E631-R633 HydrophobicContact CG-CG 4.42Å; E631-R633 IonicContact OE2-NE 3.9Å; E631-R633 PolarHBondContact OE2-NE 2.92Å; E631-R633 IonicContact OE2-NH2 3.35Å
632	Y	62	Low	65	Low	78 Å²	78	67.3 Å²	67.3	31%	0.306	36%	0.359	S	S	.	.			trans	-84.7	115.6	164.9	-68	-91.7	0	0	0	108.9	K375 D448 R451 V630	K375-Y632 PolarHBondContact NZ-O 3.47Å; D448-Y632 HydrophobicContact CB-CD2 3.15Å; D448-Y632 HydrophobicContact CB-CE2 3.53Å; D448-Y632 HydrophobicContact CB-CG 3.92Å; D448-Y632 WeakPolarHBondContact OD2-CD2 3.01Å; R451-Y632 VanDerWaalsContact CZ-OH 3.29Å; R451-Y632 PolarHBondContact NH1-OH 2.6Å; V630-Y632 PolarHBondContact O-N 2.93Å
633	R	58.6	Low	62.4	Low	104 Å²	104	73.3 Å²	73.3	39%	0.392	38%	0.377	S	S	.	.			trans	-83.6	129	171	-65.8	-174.7	-177.1	177.5	3.4	109.2	E631 E637 I638	E631-R633 HydrophobicContact CG-CG 4.42Å; E631-R633 IonicContact OE2-NE 3.9Å; E631-R633 PolarHBondContact OE2-NE 2.92Å; E631-R633 IonicContact OE2-NH2 3.35Å; R633-E637 WeakPolarHBondContact CA-OE2 3.18Å; R633-E637 HydrophobicContact CB-CB 3.94Å; R633-E637 HydrophobicContact CG-CB 4.37Å; R633-I638 HydrophobicContact CB-CD1 4.4Å; R633-I638 HydrophobicContact CB-CG1 3.7Å
634	S	49.2	Very low	59.6	Low	46 Å²	46	77.9 Å²	77.9	32%	0.322	40%	0.395	S	S	.	.			trans	-56.9	154.4	167.2	65.9	0	0	0	0	110.1	M636 E637 I638	S634-M636 PolarHBondContact O-N 3.44Å; S634-M636 VanDerWaalsContact O-N 3.11Å; S634-E637 WeakPolarHBondContact CB-OE2 3.39Å; S634-E637 PolarHBondContact N-OE2 2.89Å; S634-E637 PolarHBondContact O-N 3.13Å; S634-E637 VanDerWaalsContact OG-CG 3.29Å; S634-E637 WeakPolarHBondContact OG-CG 3.46Å; S634-E637 PolarHBondContact OG-N 3.13Å; S634-E637 VanDerWaalsContact OG-N 3.14Å; S634-E637 PolarHBondContact OG-OE2 3.4Å; S634-I638 WeakPolarHBondContact O-CG1 3.02Å; S634-I638 PolarHBondContact O-N 2.88Å
635	P	45.6	Very low	56.8	Low	86 Å²	86	82.4 Å²	82.4	56%	0.558	43%	0.425	S	S	*	.	H	α-helix	trans	-52.5	-34	174.5	-28	35.6	0	0	0	113.1	V639	P635-V639 VanDerWaalsContact O-CG2 3.23Å; P635-V639 WeakPolarHBondContact O-CG2 3.5Å; P635-V639 PolarHBondContact O-N 3.03Å; P635-V639 VanDerWaalsContact O-N 3.15Å
636	M	40.9	Very low	54	Low	145 Å²	145	85.7 Å²	85.7	71%	0.714	45%	0.449	S	S	*	.	H	α-helix	trans	-67.3	-46.8	173.5	-76.1	-143.8	-44	0	0	112.6	S634 I638 V639 T640	S634-M636 PolarHBondContact O-N 3.44Å; S634-M636 VanDerWaalsContact O-N 3.11Å; M636-I638 PolarHBondContact O-N 3.32Å; M636-V639 CarbonylContact O-C 3.55Å; M636-V639 PolarHBondContact O-N 3.29Å; M636-T640 PolarHBondContact O-N 3.45Å; M636-T640 PolarHBondContact O-OG1 3.17Å
637	E	53.6	Low	51.5	Low	63 Å²	63	90.3 Å²	90.3	29%	0.294	48%	0.483	S	S	.	.	H	α-helix	trans	-61.4	-31.8	177.7	-74.3	163.4	130.8	0	0	112.2	K375 R633 S634 G641	K375-E637 IonicContact NZ-OE1 2.68Å; K375-E637 PolarHBondContact NZ-OE1 2.81Å; K375-E637 IonicContact NZ-OE2 3.38Å; K375-E637 PolarHBondContact NZ-OE2 2.89Å; R633-E637 WeakPolarHBondContact CA-OE2 3.18Å; R633-E637 HydrophobicContact CB-CB 3.94Å; R633-E637 HydrophobicContact CG-CB 4.37Å; S634-E637 WeakPolarHBondContact CB-OE2 3.39Å; S634-E637 PolarHBondContact N-OE2 2.89Å; S634-E637 PolarHBondContact O-N 3.13Å; S634-E637 VanDerWaalsContact OG-CG 3.29Å; S634-E637 WeakPolarHBondContact OG-CG 3.46Å; S634-E637 PolarHBondContact OG-N 3.13Å; S634-E637 VanDerWaalsContact OG-N 3.14Å; S634-E637 PolarHBondContact OG-OE2 3.4Å; E637-G641 PolarHBondContact O-N 3.28Å
638	I	50.9	Low	49.2	Very low	90 Å²	90	91.3 Å²	91.3	46%	0.462	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-39.6	172.9	-63.7	171.4	0	0	0	110.8	R633 S634 M636	R633-I638 HydrophobicContact CB-CD1 4.4Å; R633-I638 HydrophobicContact CB-CG1 3.7Å; S634-I638 WeakPolarHBondContact O-CG1 3.02Å; S634-I638 PolarHBondContact O-N 2.88Å; M636-I638 PolarHBondContact O-N 3.32Å
639	V	40.7	Very low	46.5	Very low	123 Å²	123	95.2 Å²	95.2	75%	0.745	53%	0.526	S	S	*	.	H	α-helix	trans	-80.4	-41.5	-176.6	171.6	0	0	0	0	112.4	P635 M636	P635-V639 VanDerWaalsContact O-CG2 3.23Å; P635-V639 WeakPolarHBondContact O-CG2 3.5Å; P635-V639 PolarHBondContact O-N 3.03Å; P635-V639 VanDerWaalsContact O-N 3.15Å; M636-V639 CarbonylContact O-C 3.55Å; M636-V639 PolarHBondContact O-N 3.29Å
640	T	43.4	Very low	44	Very low	105 Å²	105	98.6 Å²	98.6	64%	0.644	55%	0.55	S	S	*	*	H	α-helix	trans	-82.4	-15.6	-175.6	59.8	0	0	0	0	113.2	M636	M636-T640 PolarHBondContact O-N 3.45Å; M636-T640 PolarHBondContact O-OG1 3.17Å
641	G	42.5	Very low	42.2	Very low	35 Å²	35	103.5 Å²	103.5	36%	0.361	58%	0.583	S	S	.	*			trans	65.9	162.7	-166.9	0	0	0	0	0	111.9	E637 R643	E637-G641 PolarHBondContact O-N 3.28Å; G641-R643 PolarHBondContact O-N 3.16Å
642	T	44.5	Very low	40.3	Very low	89 Å²	89	112.7 Å²	112.7	55%	0.546	62%	0.616	S	S	.	*			trans	-61.9	125.5	166.7	38.1	0	0	0	0	108	K644	T642-K644 PolarHBondContact O-N 3.15Å
643	R	37	Very low	38.8	Very low	245 Å²	245	117.7 Å²	117.7	93%	0.925	65%	0.647	S	S	*	*			trans	-58.5	105.5	168.7	-87.2	-176.7	173	-177.7	-1.8	106.9	G641	G641-R643 PolarHBondContact O-N 3.16Å
644	K	33.3	Very low	37.4	Very low	187 Å²	187	117.2 Å²	117.2	81%	0.813	66%	0.66	S	S	*	*			trans	-52.8	134	167.5	-82.7	-175.7	174.6	-178.8	0	107.8	T642 S646	T642-K644 PolarHBondContact O-N 3.15Å; K644-S646 PolarHBondContact O-N 2.78Å; K644-S646 VanDerWaalsContact O-N 3.12Å
645	P	33	Very low	36.4	Very low	103 Å²	103	125.9 Å²	125.9	67%	0.669	69%	0.685	S	S	*	*			trans	-55.9	123.8	170.7	-16.7	28.2	0	0	0	107.4	S647	P645-S647 PolarHBondContact O-N 3.42Å
646	S	32.3	Very low	36	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	72%	0.717	S	S	*	*			trans	-61.5	104.6	171.6	51.6	0	0	0	0	107.8	K644 V648	K644-S646 PolarHBondContact O-N 2.78Å; K644-S646 VanDerWaalsContact O-N 3.12Å; S646-V648 VanDerWaalsContact C-N 3.32Å; S646-V648 PolarHBondContact O-N 2.54Å
647	S	28.8	Very low	35.7	Very low	110 Å²	110	134.6 Å²	134.6	77%	0.769	72%	0.717	S	S	*	*			trans	-62.7	96.2	163.4	54.3	0	0	0	0	107.7	P645	P645-S647 PolarHBondContact O-N 3.42Å
648	V	32.2	Very low	34.8	Very low	123 Å²	123	138.4 Å²	138.4	75%	0.745	74%	0.74	S	S	*	*			trans	-103.8	81.6	164.2	-171.6	0	0	0	0	107.3	S646	S646-V648 VanDerWaalsContact C-N 3.32Å; S646-V648 PolarHBondContact O-N 2.54Å
649	S	29.4	Very low	33.9	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	76%	0.755	S	S	*	*			trans	-70.7	111.9	151.9	51.3	0	0	0	0	108
650	S	30	Very low	33.5	Very low	78 Å²	78	142.1 Å²	142.1	55%	0.545	76%	0.756	S	S	.	*			trans	-164.8	124.4	148.8	-171.3	0	0	0	0	110.8
651	P	30.6	Very low	32.8	Very low	119 Å²	119	144.4 Å²	144.4	77%	0.773	76%	0.763	S	S	*	*			trans	-86	116.2	179.4	32.3	-28.3	0	0	0	110.5
652	W	28.6	Very low	32.2	Very low	220 Å²	220	151.7 Å²	151.7	83%	0.833	79%	0.789	S	S	*	*			trans	-134.9	78.9	164.5	-80.6	89.5	0	0	0	110.1
653	L	30	Very low	31.3	Very low	183 Å²	183	156.2 Å²	156.2	96%	0.958	81%	0.807	S	S	*	*			trans	-128.2	86.7	156.4	-84.8	168.4	0	0	0	107.5
654	S	28	Very low	30.9	Very low	94 Å²	94	149.4 Å²	149.4	66%	0.657	80%	0.798	S	S	*	*			trans	-157.1	122.5	147.7	56.1	0	0	0	0	109.4
655	R	30.2	Very low	30.7	Very low	228 Å²	228	146.3 Å²	146.3	86%	0.86	80%	0.796	S	S	*	*			trans	105.6	85.6	177.4	-62.2	174	-177	-119.5	0.7	115
656	F	35.4	Very low	30.5	Very low	280 Å²	280	150.2 Å²	150.2	100%	1.228	81%	0.808	S	S	*	*				161	0	123.5	-88.6	-68.4	0	0	0	110.2

Retrieved 656 of 656 residues in 274 ms (Link to these results)

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