A0A077ZL56_TRITR Loading...

Papilin

AlphaFold DB , UniProt , Accession A0A077ZL56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 306 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	51.3	Low	56.4	Low	240 Å²	240	164 Å²	164	100%	1.182	83%	0.834	S	S	*	*				0	122.9	0	-70.5	159.9	96.7	0	0	106.7
2	K	46.3	Very low	56.6	Low	211 Å²	211	156.3 Å²	156.3	92%	0.917	83%	0.825	S	S	*	*			trans	-86.4	116.8	-167.3	-64.6	172.6	177.6	176.9	0	108.8
3	T	52	Low	56.7	Low	138 Å²	138	151.1 Å²	151.1	85%	0.847	82%	0.818	S	S	*	*			trans	-107.6	121	175.5	-47.3	0	0	0	0	109.2
4	T	59.7	Low	56.6	Low	117 Å²	117	149.6 Å²	149.6	72%	0.718	82%	0.817	S	S	*	*			trans	-65.1	132.4	-170.1	-50.5	0	0	0	0	112.9
5	V	60.4	Low	56.7	Low	120 Å²	120	149.3 Å²	149.3	73%	0.727	81%	0.812	S	S	*	*			trans	-80.9	119.3	168.7	174.7	0	0	0	0	108.4	I7	V5-I7 HydrophobicContact CG1-CG1 4.04Å; V5-I7 PolarHBondContact O-N 3.21Å
6	F	59.4	Low	56.5	Low	193 Å²	193	147.1 Å²	147.1	85%	0.846	81%	0.805	S	S	*	*			trans	-80.8	104.3	167.1	-91.4	-89.9	0	0	0	108.8	L8	F6-L8 PolarHBondContact O-N 3.38Å
7	I	62.7	Low	56.5	Low	135 Å²	135	147.9 Å²	147.9	69%	0.692	81%	0.807	S	S	*	*			trans	-81.5	104.1	168.4	-62.9	177.5	0	0	0	106.9	V5 L9	V5-I7 HydrophobicContact CG1-CG1 4.04Å; V5-I7 PolarHBondContact O-N 3.21Å; I7-L9 HydrophobicContact CG2-CD2 4.35Å; I7-L9 HydrophobicContact CG2-CG 4.38Å; I7-L9 PolarHBondContact O-N 3.41Å
8	L	55.2	Low	56.5	Low	160 Å²	160	149.1 Å²	149.1	84%	0.838	81%	0.806	S	S	*	*			trans	-71.5	101	165.5	-95.9	150.8	0	0	0	108	F6 L10	F6-L8 PolarHBondContact O-N 3.38Å; L8-L10 PolarHBondContact O-N 3.18Å
9	L	54.7	Low	56.6	Low	134 Å²	134	149.2 Å²	149.2	70%	0.702	81%	0.806	S	S	*	*			trans	-71.2	102.8	167.6	-72.2	168.9	0	0	0	108.4	I7 F11	I7-L9 HydrophobicContact CG2-CD2 4.35Å; I7-L9 HydrophobicContact CG2-CG 4.38Å; I7-L9 PolarHBondContact O-N 3.41Å; L9-F11 HydrophobicContact CB-CE2 4.42Å; L9-F11 PolarHBondContact O-N 3.17Å; L9-F11 VanDerWaalsContact O-N 3.17Å
10	L	59.9	Low	57.3	Low	167 Å²	167	148.9 Å²	148.9	87%	0.874	80%	0.8	S	S	*	*			trans	-68.4	103.1	162.1	-70.3	169	0	0	0	107.2	L8 G12	L8-L10 PolarHBondContact O-N 3.18Å; L10-G12 PolarHBondContact O-N 3.07Å
11	F	59.1	Low	58.6	Low	189 Å²	189	145.2 Å²	145.2	83%	0.829	78%	0.78	S	S	*	*			trans	-65.9	104.5	163.9	-80.4	-91.9	0	0	0	107.4	L9 A13	L9-F11 HydrophobicContact CB-CE2 4.42Å; L9-F11 PolarHBondContact O-N 3.17Å; L9-F11 VanDerWaalsContact O-N 3.17Å; F11-A13 PolarHBondContact O-N 3.21Å; F11-A13 VanDerWaalsContact O-N 3.07Å
12	G	58.1	Low	60.5	Low	71 Å²	71	135.6 Å²	135.6	73%	0.732	74%	0.735	S	S	*	*			trans	-62.2	105.9	165.2	0	0	0	0	0	108.2	L10 T14	L10-G12 PolarHBondContact O-N 3.07Å; G12-T14 PolarHBondContact O-N 3.06Å
13	A	58.5	Low	62.8	Low	89 Å²	89	125.7 Å²	125.7	74%	0.736	69%	0.693	S	S	*	*			trans	-72.1	102.9	160.1	0	0	0	0	0	106.7	F11 I15	F11-A13 PolarHBondContact O-N 3.21Å; F11-A13 VanDerWaalsContact O-N 3.07Å; A13-I15 VanDerWaalsContact C-N 3.33Å; A13-I15 PolarHBondContact O-N 3.13Å
14	T	55.1	Low	64.6	Low	131 Å²	131	125.4 Å²	125.4	80%	0.804	68%	0.68	S	S	*	*			trans	-63	98.6	159.4	37.5	0	0	0	0	107.2	G12 T16	G12-T14 PolarHBondContact O-N 3.06Å; T14-T16 PolarHBondContact O-N 3.03Å; T14-T16 VanDerWaalsContact O-N 3.13Å
15	I	57.8	Low	66.2	Low	144 Å²	144	121.6 Å²	121.6	74%	0.738	66%	0.655	S	S	*	*			trans	-70.6	102	165.7	-59.4	172.1	0	0	0	105.2	A13 L17	A13-I15 VanDerWaalsContact C-N 3.33Å; A13-I15 PolarHBondContact O-N 3.13Å; I15-L17 PolarHBondContact O-N 2.96Å; I15-L17 VanDerWaalsContact O-N 3.14Å
16	T	53.6	Low	67.7	Low	114 Å²	114	120.2 Å²	120.2	70%	0.699	65%	0.648	S	S	*	*			trans	-65.5	106.2	160.5	46.6	0	0	0	0	105.9	T14 E18	T14-T16 PolarHBondContact O-N 3.03Å; T14-T16 VanDerWaalsContact O-N 3.13Å; T16-E18 VanDerWaalsContact C-N 3.27Å; T16-E18 PolarHBondContact O-N 3.14Å
17	L	57.4	Low	69.3	Low	161 Å²	161	112.7 Å²	112.7	84%	0.843	62%	0.622	S	S	*	*			trans	-63.2	99.8	162.2	-76.1	166.4	0	0	0	105.2	I15 D19	I15-L17 PolarHBondContact O-N 2.96Å; I15-L17 VanDerWaalsContact O-N 3.14Å; L17-D19 PolarHBondContact O-N 3.48Å; L17-D19 VanDerWaalsContact O-N 3.1Å
18	E	55.5	Low	70.8	Confident	169 Å²	169	109.1 Å²	109.1	79%	0.79	60%	0.604	S	S	*	*			trans	-59.5	113	165.9	-67.8	178.7	137.9	0	0	105.6	T16 E20	T16-E18 VanDerWaalsContact C-N 3.27Å; T16-E18 PolarHBondContact O-N 3.14Å; E18-E20 PolarHBondContact O-N 3.1Å
19	D	58.2	Low	72.6	Confident	151 Å²	151	104.7 Å²	104.7	81%	0.807	59%	0.585	S	S	*	*			trans	-60.4	99.6	178.7	-158.7	5.4	0	0	0	106.9	L17 N21	L17-D19 PolarHBondContact O-N 3.48Å; L17-D19 VanDerWaalsContact O-N 3.1Å; D19-N21 PolarHBondContact O-N 2.99Å
20	E	70.8	Confident	74.4	Confident	144 Å²	144	99.4 Å²	99.4	67%	0.673	56%	0.563	S	S	*	*			trans	-60.2	113.4	179.3	-75.2	-165.3	144.5	0	0	107.1	E18 P22 L25	E18-E20 PolarHBondContact O-N 3.1Å; E20-P22 VanDerWaalsContact O-CD 3.24Å; E20-P22 WeakPolarHBondContact O-CD 3.38Å; E20-L25 HydrophobicContact CB-CD2 4.42Å
21	N	85	Confident	75.8	Confident	71 Å²	71	95.4 Å²	95.4	38%	0.38	55%	0.547	S	S	.	.			trans	-44.7	113.1	-178.5	179.1	-28	0	0	0	109.7	D19 C23 K24	D19-N21 PolarHBondContact O-N 2.99Å; N21-C23 PolarHBondContact O-N 3.24Å; N21-C23 WeakPolarHBondContact OD1-CB 3.47Å; N21-C23 PolarHBondContact OD1-N 2.88Å; N21-C23 PolarHBondContact OD1-SG 2.76Å; N21-C23 VanDerWaalsContact OD1-SG 3.33Å; N21-K24 HydrophobicContact CB-CD 4.4Å; N21-K24 HydrophobicContact CB-CG 4.39Å; N21-K24 PolarHBondContact O-N 3.47Å
22	P	90.8	Very high	77.4	Confident	39 Å²	39	89 Å²	89	25%	0.253	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-52.8	-35	-175.2	-30.7	36.4	0	0	0	112.6	E20 K24 L25 A60 N61	E20-P22 VanDerWaalsContact O-CD 3.24Å; E20-P22 WeakPolarHBondContact O-CD 3.38Å; P22-K24 PolarHBondContact O-N 3.49Å; P22-K24 VanDerWaalsContact O-N 3.08Å; P22-L25 WeakPolarHBondContact O-CB 3.35Å; P22-L25 PolarHBondContact O-N 3.03Å; P22-A60 HydrophobicContact CB-CB 3.77Å; P22-A60 HydrophobicContact CG-CB 3.81Å; P22-N61 WeakPolarHBondContact O-CB 3.37Å
23	C	94	Very high	79	Confident	3 Å²	3	94.7 Å²	94.7	2%	0.02	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-67.3	-10.6	-178.3	-45.2	0	0	0	0	114.1	N21 Y41 C73	N21-C23 PolarHBondContact O-N 3.24Å; N21-C23 WeakPolarHBondContact OD1-CB 3.47Å; N21-C23 PolarHBondContact OD1-N 2.88Å; N21-C23 PolarHBondContact OD1-SG 2.76Å; N21-C23 VanDerWaalsContact OD1-SG 3.33Å; C23-Y41 HydrophobicContact CB-CD1 3.74Å; C23-Y41 HydrophobicContact CB-CE1 4.29Å; C23-Y41 HydrophobicContact CB-CG 4.21Å; C23-Y41 WeakPolarHBondContact O-CD1 3.41Å; C23-C73 VanDerWaalsContact CA-SG 3.58Å; C23-C73 HydrophobicContact CB-CB 3.74Å; C23-C73 WeakPolarHBondContact CB-SG 3.2Å; C23-C73 WeakPolarHBondContact SG-CA 3.42Å; C23-C73 WeakPolarHBondContact SG-CB 3.22Å; C23-C73 CovalentContact SG-SG 2.03Å; C23-C73 PolarHBondContact SG-SG 2.76Å
24	K	91.4	Very high	80.3	Confident	132 Å²	132	92.3 Å²	92.3	57%	0.574	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-99.6	-5.8	175.3	-67.1	-175.2	177.5	-179.6	0	113.1	N21 P22 W43	N21-K24 HydrophobicContact CB-CD 4.4Å; N21-K24 HydrophobicContact CB-CG 4.39Å; N21-K24 PolarHBondContact O-N 3.47Å; P22-K24 PolarHBondContact O-N 3.49Å; P22-K24 VanDerWaalsContact O-N 3.08Å; K24-W43 HydrophobicContact CD-CH2 4.39Å; K24-W43 HydrophobicContact CD-CZ3 4.36Å; K24-W43 HydrophobicContact CG-CD2 4.05Å; K24-W43 HydrophobicContact CG-CE3 3.61Å; K24-W43 HydrophobicContact CG-CH2 4.18Å; K24-W43 HydrophobicContact CG-CZ3 3.69Å
25	L	92.6	Very high	82.1	Confident	36 Å²	36	92.1 Å²	92.1	19%	0.188	51%	0.509	C	S	.	.	S	Bend	trans	-82.4	149.2	177.5	-54	172.8	0	0	0	109.8	E20 P22 N59 A60 N61	E20-L25 HydrophobicContact CB-CD2 4.42Å; P22-L25 WeakPolarHBondContact O-CB 3.35Å; P22-L25 PolarHBondContact O-N 3.03Å; L25-N59 HydrophobicContact CD1-CB 4.06Å; L25-A60 HydrophobicContact CD1-CB 4Å; L25-N61 HydrophobicContact CB-CB 4.04Å; L25-N61 PolarHBondContact O-ND2 2.92Å
26	P	91.2	Very high	83.6	Confident	92 Å²	92	90.5 Å²	90.5	60%	0.597	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-72.8	164	175.2	31.4	-35.7	0	0	0	111.6	D28 N59	P26-D28 PolarHBondContact O-N 3.23Å; P26-N59 PolarHBondContact O-ND2 2.91Å; P26-N59 PolarHBondContact O-OD1 2.97Å
27	A	93.1	Very high	85.5	Confident	35 Å²	35	89.2 Å²	89.2	29%	0.289	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-61	130.8	165.2	0	0	0	0	0	110.6	Y40 F51	A27-Y40 HydrophobicContact CB-CD1 3.71Å; A27-Y40 HydrophobicContact CB-CD2 3.72Å; A27-Y40 HydrophobicContact CB-CE1 3.89Å; A27-Y40 HydrophobicContact CB-CE2 3.89Å; A27-Y40 HydrophobicContact CB-CG 3.62Å; A27-F51 HydrophobicContact CB-CB 4.42Å; A27-F51 HydrophobicContact CB-CD2 4.07Å; A27-F51 HydrophobicContact CB-CE2 4.49Å; A27-F51 HydrophobicContact CB-CG 4.14Å
28	D	94.7	Very high	87.3	Confident	60 Å²	60	84.6 Å²	84.6	32%	0.321	46%	0.46	S	S	.	.			trans	-127.3	103.6	179.5	-173.7	0.8	0	0	0	111.6	P26 G30 G58 N59	P26-D28 PolarHBondContact O-N 3.23Å; D28-G30 PolarHBondContact O-N 3.33Å; D28-G30 PolarHBondContact OD1-N 2.01Å; D28-G58 VanDerWaalsContact OD2-CA 3.31Å; D28-G58 WeakPolarHBondContact OD2-CA 3.26Å; D28-N59 WeakPolarHBondContact CB-ND2 3.28Å
29	P	92.9	Very high	89.3	Confident	67 Å²	67	77.4 Å²	77.4	44%	0.435	43%	0.427	S	S	.	.			trans	-63.8	-21.2	174.9	-24.8	35.9	0	0	0	114.4	T52 G54	P29-T52 WeakPolarHBondContact CB-O 2.9Å; P29-G54 VanDerWaalsContact O-CA 3.23Å; P29-G54 WeakPolarHBondContact O-CA 2.99Å; P29-G54 PolarHBondContact O-N 2.88Å
30	G	92.3	Very high	91.1	Very high	23 Å²	23	72.2 Å²	72.2	24%	0.237	40%	0.396	C	S	.	.			trans	67.7	-179.8	-171.3	0	0	0	0	0	114.1	D28	D28-G30 PolarHBondContact O-N 3.33Å; D28-G30 PolarHBondContact OD1-N 2.01Å
31	P	88.8	Confident	92.3	Very high	82 Å²	82	65.6 Å²	65.6	53%	0.532	37%	0.365	S	S	.	.	S	Bend	trans	-88	-8.2	-174.8	34.5	-35.3	0	0	0	114.1	E57	P31-E57 VanDerWaalsContact CD-OE2 3.31Å; P31-E57 WeakPolarHBondContact CD-OE2 3.5Å; P31-E57 HydrophobicContact CG-CB 4.41Å; P31-E57 HydrophobicContact CG-CG 3.96Å; P31-E57 WeakPolarHBondContact CG-OE2 3.22Å
32	C	93.8	Very high	92.5	Very high	56 Å²	56	64 Å²	64	38%	0.378	36%	0.357	S	S	.	.			trans	-80.2	164.9	179.9	-75.5	0	0	0	0	112.8	G54 C56	C32-G54 CarbonylContact C-O 3.53Å; C32-G54 VanDerWaalsContact C-O 3.25Å; C32-G54 WeakPolarHBondContact CB-O 2.97Å; C32-G54 WeakPolarHBondContact O-CA 3.16Å; C32-C56 HydrophobicContact CB-CB 3.8Å; C32-C56 WeakPolarHBondContact CB-SG 3.24Å; C32-C56 WeakPolarHBondContact SG-CB 3.46Å; C32-C56 CovalentContact SG-SG 2.01Å; C32-C56 PolarHBondContact SG-SG 3.08Å
33	M	91.5	Very high	92.2	Very high	190 Å²	190	66.9 Å²	66.9	94%	0.936	36%	0.362	S	S	*	.			trans	-113.9	21.7	-170.5	-60.2	-174.9	-70.4	0	0	113.8	G54	M33-G54 PolarHBondContact N-O 2.97Å
34	A	85.3	Confident	91.6	Very high	39 Å²	39	73.7 Å²	73.7	32%	0.322	40%	0.398	S	S	.	.			trans	-73.2	166.7	168.4	0	0	0	0	0	110.7	F36 G54	A34-F36 HydrophobicContact CB-CD2 3.6Å; A34-F36 HydrophobicContact CB-CE2 3.29Å; A34-F36 HydrophobicContact CB-CZ 4.05Å; A34-G54 WeakPolarHBondContact CA-O 3.28Å; A34-G54 WeakPolarHBondContact CB-O 3.26Å; A34-G54 PolarHBondContact N-O 2.95Å; A34-G54 WeakPolarHBondContact O-CA 3.25Å
35	D	93.1	Very high	91.2	Very high	126 Å²	126	69.6 Å²	69.6	67%	0.674	39%	0.386	S	S	*	.			trans	-126.6	71.9	-179.3	-171.2	16.3	0	0	0	108.9	T52	D35-T52 WeakPolarHBondContact OD1-CG2 3.26Å; D35-T52 PolarHBondContact OD1-OG1 2.93Å
36	F	89	Confident	91	Very high	110 Å²	110	71.1 Å²	71.1	48%	0.482	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.8	176.1	-61.4	-67.3	0	0	0	109.8	A34 R38 Y53	A34-F36 HydrophobicContact CB-CD2 3.6Å; A34-F36 HydrophobicContact CB-CE2 3.29Å; A34-F36 HydrophobicContact CB-CZ 4.05Å; F36-R38 PolarHBondContact O-N 3.16Å; F36-Y53 HydrophobicContact CB-CD1 4.49Å; F36-Y53 HydrophobicContact CD2-CD1 4.39Å; F36-Y53 PolarHBondContact N-O 2.97Å; F36-Y53 VanDerWaalsContact N-O 3.15Å; F36-Y53 PolarHBondContact O-N 3.16Å
37	T	94.3	Very high	90.9	Very high	87 Å²	87	72.2 Å²	72.2	53%	0.534	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122.9	167.7	-54.9	0	0	0	0	109.3	E50	T37-E50 HydrophobicContact CG2-CG 4.29Å
38	R	95.7	Very high	91	Very high	65 Å²	65	71.4 Å²	71.4	25%	0.245	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	170.7	177.1	-68.9	-63.5	-171.6	106.7	-11.9	109.6	F36 E50 F51 Y53 N62 F63	F36-R38 PolarHBondContact O-N 3.16Å; R38-E50 CarbonylContact O-C 3.36Å; R38-E50 VanDerWaalsContact O-CA 3.3Å; R38-E50 WeakPolarHBondContact O-CA 3.29Å; R38-F51 HydrophobicContact CB-CD1 3.9Å; R38-F51 HydrophobicContact CB-CE1 3.39Å; R38-F51 HydrophobicContact CB-CZ 3.87Å; R38-F51 PolarHBondContact N-O 2.03Å; R38-F51 WeakPolarHBondContact O-CD1 3.44Å; R38-F51 PolarHBondContact O-N 3.04Å; R38-Y53 HydrophobicContact CG-CD1 4.18Å; R38-Y53 HydrophobicContact CG-CG 4.24Å; R38-N62 WeakPolarHBondContact CB-OD1 3.16Å; R38-N62 VanDerWaalsContact CD-OD1 3.3Å; R38-N62 WeakPolarHBondContact CD-OD1 3.43Å; R38-N62 WeakPolarHBondContact CG-OD1 3.41Å; R38-N62 PolarHBondContact NH1-OD1 3.27Å; R38-F63 WeakPolarHBondContact CD-O 3.37Å
39	H	97	Very high	90.9	Very high	17 Å²	17	71.3 Å²	71.3	8%	0.079	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.6	178.4	-59.3	76.7	0	0	0	109.9	L49 E50 F63 E64 I66 C69	H39-L49 CarbonylContact C-O 3.48Å; H39-L49 VanDerWaalsContact CA-O 3.28Å; H39-L49 WeakPolarHBondContact CA-O 2.96Å; H39-E50 WeakPolarHBondContact NE2-CG 3.5Å; H39-E50 IonicContact NE2-OE1 2.95Å; H39-F63 HydrophobicContact CB-CB 4.37Å; H39-F63 PolarHBondContact N-O 3.13Å; H39-F63 WeakPolarHBondContact O-CD2 3.38Å; H39-F63 PolarHBondContact O-N 2.77Å; H39-E64 PolarHBondContact ND1-O 2.83Å; H39-I66 PolarHBondContact CE1-N 2.86Å; H39-I66 PolarHBondContact ND1-N 3.09Å; H39-C69 HydrophobicContact CB-CB 4.06Å
40	Y	95.5	Very high	91	Very high	42 Å²	42	74.7 Å²	74.7	17%	0.165	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.8	171.3	79.3	-74.3	0	0	0	108.8	A27 D42 C48 L49 F51 N61	A27-Y40 HydrophobicContact CB-CD1 3.71Å; A27-Y40 HydrophobicContact CB-CD2 3.72Å; A27-Y40 HydrophobicContact CB-CE1 3.89Å; A27-Y40 HydrophobicContact CB-CE2 3.89Å; A27-Y40 HydrophobicContact CB-CG 3.62Å; Y40-D42 HydrophobicContact CE2-CB 3.83Å; Y40-C48 CarbonylContact O-C 3.56Å; Y40-C48 WeakPolarHBondContact O-CA 3.47Å; Y40-L49 HydrophobicContact CD1-CB 4.22Å; Y40-L49 VanDerWaalsContact CD1-O 3.29Å; Y40-L49 WeakPolarHBondContact CD1-O 3.46Å; Y40-L49 HydrophobicContact CE1-CB 3.63Å; Y40-L49 PolarHBondContact N-O 3.03Å; Y40-L49 PolarHBondContact O-N 2.61Å; Y40-F51 HydrophobicContact CD1-CB 4.06Å; Y40-F51 AromaticContact CD1-CD1 3.8Å; Y40-F51 HydrophobicContact CD1-CD1 3.8Å; Y40-F51 HydrophobicContact CD1-CG 4.14Å; Y40-F51 HydrophobicContact CE1-CB 4.27Å; Y40-F51 HydrophobicContact CG-CD1 4.35Å; Y40-N61 WeakPolarHBondContact CA-OD1 3.42Å; Y40-N61 WeakPolarHBondContact CB-O 3.31Å
41	Y	95.5	Very high	91	Very high	6 Å²	6	74.8 Å²	74.8	2%	0.024	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.6	172.7	-175.5	-94.5	0	0	0	109.7	C23 W43 K46 N61 C73 P74	C23-Y41 HydrophobicContact CB-CD1 3.74Å; C23-Y41 HydrophobicContact CB-CE1 4.29Å; C23-Y41 HydrophobicContact CB-CG 4.21Å; C23-Y41 WeakPolarHBondContact O-CD1 3.41Å; Y41-W43 HydrophobicContact CD1-CE3 4.48Å; Y41-W43 AromaticContact CE1-CE3 3.93Å; Y41-W43 HydrophobicContact CE1-CE3 3.93Å; Y41-W43 PolarHBondContact O-N 2.82Å; Y41-K46 HydrophobicContact CE1-CD 4.48Å; Y41-K46 WeakPolarHBondContact OH-CA 3.39Å; Y41-K46 WeakPolarHBondContact OH-CD 3.46Å; Y41-N61 PolarHBondContact N-ND2 2.86Å; Y41-N61 PolarHBondContact N-OD1 2.89Å; Y41-N61 PolarHBondContact O-ND2 3.3Å; Y41-C73 WeakPolarHBondContact CB-SG 3.31Å; Y41-C73 HydrophobicContact CD1-CB 4.03Å; Y41-C73 HydrophobicContact CD2-CB 3.25Å; Y41-C73 HydrophobicContact CE1-CB 4.46Å; Y41-C73 HydrophobicContact CE2-CB 3.77Å; Y41-C73 HydrophobicContact CG-CB 3.37Å; Y41-P74 WeakPolarHBondContact CE2-O 3.41Å; Y41-P74 VanDerWaalsContact CZ-O 3.28Å; Y41-P74 PolarHBondContact OH-O 2.73Å
42	D	90.9	Very high	91.2	Very high	38 Å²	38	74.4 Å²	74.4	20%	0.203	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	109.1	172.5	179.9	58.6	0	0	0	109.6	Y40 D44 S45 K46 Q47 L49	Y40-D42 HydrophobicContact CE2-CB 3.83Å; D42-D44 PolarHBondContact O-N 3.18Å; D42-S45 WeakPolarHBondContact CB-OG 3.19Å; D42-S45 PolarHBondContact O-N 3.47Å; D42-S45 WeakPolarHBondContact OD2-CB 3.5Å; D42-S45 PolarHBondContact OD2-N 3.39Å; D42-S45 PolarHBondContact OD2-OG 2.83Å; D42-K46 WeakPolarHBondContact O-CA 3.35Å; D42-K46 PolarHBondContact O-N 2.69Å; D42-Q47 PolarHBondContact N-O 2.96Å; D42-Q47 PolarHBondContact O-N 2.92Å; D42-L49 HydrophobicContact CB-CD1 3.74Å; D42-L49 HydrophobicContact CB-CG 4.21Å
43	W	84.7	Confident	91.2	Very high	99 Å²	99	73.3 Å²	73.3	38%	0.375	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.6	-175.4	-177.6	-91.5	0	0	0	112.8	K24 Y41 K46	K24-W43 HydrophobicContact CD-CH2 4.39Å; K24-W43 HydrophobicContact CD-CZ3 4.36Å; K24-W43 HydrophobicContact CG-CD2 4.05Å; K24-W43 HydrophobicContact CG-CE3 3.61Å; K24-W43 HydrophobicContact CG-CH2 4.18Å; K24-W43 HydrophobicContact CG-CZ3 3.69Å; Y41-W43 HydrophobicContact CD1-CE3 4.48Å; Y41-W43 AromaticContact CE1-CE3 3.93Å; Y41-W43 HydrophobicContact CE1-CE3 3.93Å; Y41-W43 PolarHBondContact O-N 2.82Å; W43-K46 WeakPolarHBondContact O-CD 3.17Å; W43-K46 WeakPolarHBondContact O-CE 3.01Å; W43-K46 PolarHBondContact O-NZ 3.08Å
44	D	79.9	Confident	91.2	Very high	145 Å²	145	64.4 Å²	64.4	78%	0.775	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-42.8	-176.3	-67.7	-34	0	0	0	111.6	D42	D42-D44 PolarHBondContact O-N 3.18Å
45	S	84.6	Confident	91.5	Very high	46 Å²	46	64.1 Å²	64.1	32%	0.322	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.3	176.8	65.5	0	0	0	0	114.9	D42 Q47	D42-S45 WeakPolarHBondContact CB-OG 3.19Å; D42-S45 PolarHBondContact O-N 3.47Å; D42-S45 WeakPolarHBondContact OD2-CB 3.5Å; D42-S45 PolarHBondContact OD2-N 3.39Å; D42-S45 PolarHBondContact OD2-OG 2.83Å; S45-Q47 WeakPolarHBondContact O-CG 3.17Å; S45-Q47 PolarHBondContact O-N 3.25Å; S45-Q47 PolarHBondContact O-NE2 2.72Å
46	K	88.3	Confident	91.6	Very high	68 Å²	68	59.9 Å²	59.9	30%	0.296	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	30	-175.5	-54.5	-62.6	176.9	-152.4	0	113.6	Y41 D42 W43 E76	Y41-K46 HydrophobicContact CE1-CD 4.48Å; Y41-K46 WeakPolarHBondContact OH-CA 3.39Å; Y41-K46 WeakPolarHBondContact OH-CD 3.46Å; D42-K46 WeakPolarHBondContact O-CA 3.35Å; D42-K46 PolarHBondContact O-N 2.69Å; W43-K46 WeakPolarHBondContact O-CD 3.17Å; W43-K46 WeakPolarHBondContact O-CE 3.01Å; W43-K46 PolarHBondContact O-NZ 3.08Å; K46-E76 HydrophobicContact CB-CG 4.38Å
47	Q	89.3	Confident	91.7	Very high	116 Å²	116	61.7 Å²	61.7	54%	0.542	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.9	-174.4	-73	170.9	48.3	0	0	111.7	D42 S45 L49	D42-Q47 PolarHBondContact N-O 2.96Å; D42-Q47 PolarHBondContact O-N 2.92Å; S45-Q47 WeakPolarHBondContact O-CG 3.17Å; S45-Q47 PolarHBondContact O-N 3.25Å; S45-Q47 PolarHBondContact O-NE2 2.72Å; Q47-L49 HydrophobicContact CB-CD2 4.32Å
48	C	94.5	Very high	91.5	Very high	17 Å²	17	58.9 Å²	58.9	12%	0.115	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.2	166.6	-71.6	0	0	0	0	109.8	Y40 I66 C69 Q70	Y40-C48 CarbonylContact O-C 3.56Å; Y40-C48 WeakPolarHBondContact O-CA 3.47Å; C48-I66 HydrophobicContact CB-CG1 3.96Å; C48-C69 HydrophobicContact CB-CB 3.71Å; C48-C69 WeakPolarHBondContact CB-SG 2.97Å; C48-C69 WeakPolarHBondContact SG-CB 3.42Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 3.46Å; C48-Q70 HydrophobicContact CB-CG 4.21Å; C48-Q70 PolarHBondContact SG-N 2.87Å
49	L	91.4	Very high	91.4	Very high	59 Å²	59	57.9 Å²	57.9	31%	0.309	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.1	-178.8	-60.3	-180	0	0	0	110.6	H39 Y40 D42 Q47	H39-L49 CarbonylContact C-O 3.48Å; H39-L49 VanDerWaalsContact CA-O 3.28Å; H39-L49 WeakPolarHBondContact CA-O 2.96Å; Y40-L49 HydrophobicContact CD1-CB 4.22Å; Y40-L49 VanDerWaalsContact CD1-O 3.29Å; Y40-L49 WeakPolarHBondContact CD1-O 3.46Å; Y40-L49 HydrophobicContact CE1-CB 3.63Å; Y40-L49 PolarHBondContact N-O 3.03Å; Y40-L49 PolarHBondContact O-N 2.61Å; D42-L49 HydrophobicContact CB-CD1 3.74Å; D42-L49 HydrophobicContact CB-CG 4.21Å; Q47-L49 HydrophobicContact CB-CD2 4.32Å
50	E	95.4	Very high	91.3	Very high	138 Å²	138	59.7 Å²	59.7	65%	0.645	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.4	174.5	-72.5	-175.5	158.7	0	0	111.8	T37 R38 H39	T37-E50 HydrophobicContact CG2-CG 4.29Å; R38-E50 CarbonylContact O-C 3.36Å; R38-E50 VanDerWaalsContact O-CA 3.3Å; R38-E50 WeakPolarHBondContact O-CA 3.29Å; H39-E50 WeakPolarHBondContact NE2-CG 3.5Å; H39-E50 IonicContact NE2-OE1 2.95Å
51	F	92.2	Very high	91.3	Very high	25 Å²	25	57.7 Å²	57.7	11%	0.11	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.2	169.2	81	-69.9	0	0	0	111.8	A27 R38 Y40 N62	A27-F51 HydrophobicContact CB-CB 4.42Å; A27-F51 HydrophobicContact CB-CD2 4.07Å; A27-F51 HydrophobicContact CB-CE2 4.49Å; A27-F51 HydrophobicContact CB-CG 4.14Å; R38-F51 HydrophobicContact CB-CD1 3.9Å; R38-F51 HydrophobicContact CB-CE1 3.39Å; R38-F51 HydrophobicContact CB-CZ 3.87Å; R38-F51 PolarHBondContact N-O 2.03Å; R38-F51 WeakPolarHBondContact O-CD1 3.44Å; R38-F51 PolarHBondContact O-N 3.04Å; Y40-F51 HydrophobicContact CD1-CB 4.06Å; Y40-F51 AromaticContact CD1-CD1 3.8Å; Y40-F51 HydrophobicContact CD1-CD1 3.8Å; Y40-F51 HydrophobicContact CD1-CG 4.14Å; Y40-F51 HydrophobicContact CE1-CB 4.27Å; Y40-F51 HydrophobicContact CG-CD1 4.35Å; F51-N62 HydrophobicContact CE1-CB 4.48Å; F51-N62 HydrophobicContact CZ-CB 4.06Å
52	T	93.5	Very high	91.4	Very high	74 Å²	74	58.7 Å²	58.7	45%	0.454	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.9	174.1	-64.2	0	0	0	0	110	P29 D35	P29-T52 WeakPolarHBondContact CB-O 2.9Å; D35-T52 WeakPolarHBondContact OD1-CG2 3.26Å; D35-T52 PolarHBondContact OD1-OG1 2.93Å
53	Y	93.7	Very high	91.6	Very high	32 Å²	32	57.5 Å²	57.5	13%	0.125	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.9	172.7	175.2	-126.1	0	0	0	111	F36 R38 G55 C56 E57 N62	F36-Y53 HydrophobicContact CB-CD1 4.49Å; F36-Y53 HydrophobicContact CD2-CD1 4.39Å; F36-Y53 PolarHBondContact N-O 2.97Å; F36-Y53 VanDerWaalsContact N-O 3.15Å; F36-Y53 PolarHBondContact O-N 3.16Å; R38-Y53 HydrophobicContact CG-CD1 4.18Å; R38-Y53 HydrophobicContact CG-CG 4.24Å; Y53-G55 PolarHBondContact O-N 2.71Å; Y53-C56 WeakPolarHBondContact OH-CA 3.4Å; Y53-C56 PolarHBondContact OH-N 2.89Å; Y53-E57 WeakPolarHBondContact CE2-O 3.4Å; Y53-E57 PolarHBondContact OH-O 3.22Å; Y53-N62 WeakPolarHBondContact CD2-ND2 3.35Å
54	G	91.7	Very high	92.1	Very high	4 Å²	4	59.1 Å²	59.1	4%	0.041	33%	0.325	C	S	.	.			trans	-69.8	-8.2	-176.1	0	0	0	0	0	114.7	P29 C32 M33 A34	P29-G54 VanDerWaalsContact O-CA 3.23Å; P29-G54 WeakPolarHBondContact O-CA 2.99Å; P29-G54 PolarHBondContact O-N 2.88Å; C32-G54 CarbonylContact C-O 3.53Å; C32-G54 VanDerWaalsContact C-O 3.25Å; C32-G54 WeakPolarHBondContact CB-O 2.97Å; C32-G54 WeakPolarHBondContact O-CA 3.16Å; M33-G54 PolarHBondContact N-O 2.97Å; A34-G54 WeakPolarHBondContact CA-O 3.28Å; A34-G54 WeakPolarHBondContact CB-O 3.26Å; A34-G54 PolarHBondContact N-O 2.95Å; A34-G54 WeakPolarHBondContact O-CA 3.25Å
55	G	91.8	Very high	92.8	Very high	33 Å²	33	55.1 Å²	55.1	34%	0.34	31%	0.305	S	S	.	.	S	Bend	trans	91.1	2.1	173	0	0	0	0	0	115.7	Y53	Y53-G55 PolarHBondContact O-N 2.71Å
56	C	93.9	Very high	93.1	Very high	36 Å²	36	56.4 Å²	56.4	24%	0.243	31%	0.308	C	S	.	.	S	Bend	trans	-149.9	160.6	167.7	77.2	0	0	0	0	111.2	C32 Y53	C32-C56 HydrophobicContact CB-CB 3.8Å; C32-C56 WeakPolarHBondContact CB-SG 3.24Å; C32-C56 WeakPolarHBondContact SG-CB 3.46Å; C32-C56 CovalentContact SG-SG 2.01Å; C32-C56 PolarHBondContact SG-SG 3.08Å; Y53-C56 WeakPolarHBondContact OH-CA 3.4Å; Y53-C56 PolarHBondContact OH-N 2.89Å
57	E	92.2	Very high	93.4	Very high	149 Å²	149	60 Å²	60	70%	0.696	33%	0.326	S	S	*	.	S	Bend	trans	54.6	-137.4	-171.7	-52.9	-173.7	-176.2	0	0	111.2	P31 Y53	P31-E57 VanDerWaalsContact CD-OE2 3.31Å; P31-E57 WeakPolarHBondContact CD-OE2 3.5Å; P31-E57 HydrophobicContact CG-CB 4.41Å; P31-E57 HydrophobicContact CG-CG 3.96Å; P31-E57 WeakPolarHBondContact CG-OE2 3.22Å; Y53-E57 WeakPolarHBondContact CE2-O 3.4Å; Y53-E57 PolarHBondContact OH-O 3.22Å
58	G	89.5	Confident	93.7	Very high	28 Å²	28	58.7 Å²	58.7	29%	0.289	32%	0.32	S	S	.	.			trans	87	-169.6	-172	0	0	0	0	0	112.8	D28	D28-G58 VanDerWaalsContact OD2-CA 3.31Å; D28-G58 WeakPolarHBondContact OD2-CA 3.26Å
59	N	94.1	Very high	93.7	Very high	44 Å²	44	57.9 Å²	57.9	24%	0.235	31%	0.314	C	S	.	.			trans	-134.4	-178.3	178.3	69.8	42.9	0	0	0	111.7	L25 P26 D28 N61 N62	L25-N59 HydrophobicContact CD1-CB 4.06Å; P26-N59 PolarHBondContact O-ND2 2.91Å; P26-N59 PolarHBondContact O-OD1 2.97Å; D28-N59 WeakPolarHBondContact CB-ND2 3.28Å; N59-N61 VanDerWaalsContact C-N 3.26Å; N59-N61 PolarHBondContact O-N 2.9Å; N59-N61 WeakPolarHBondContact OD1-CB 3.43Å; N59-N61 PolarHBondContact OD1-N 3.28Å; N59-N62 WeakPolarHBondContact O-CB 3.18Å
60	A	95.1	Very high	93.8	Very high	55 Å²	55	60.5 Å²	60.5	46%	0.455	33%	0.325	S	S	.	.	S	Bend	trans	-71.3	-13.4	-173.7	0	0	0	0	0	114.5	P22 L25 N62	P22-A60 HydrophobicContact CB-CB 3.77Å; P22-A60 HydrophobicContact CG-CB 3.81Å; L25-A60 HydrophobicContact CD1-CB 4Å; A60-N62 PolarHBondContact O-N 2.75Å
61	N	95.5	Very high	93.6	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.			trans	-81.5	60.7	174	-157.6	-1.6	0	0	0	111.3	P22 L25 Y40 Y41 N59 F63	P22-N61 WeakPolarHBondContact O-CB 3.37Å; L25-N61 HydrophobicContact CB-CB 4.04Å; L25-N61 PolarHBondContact O-ND2 2.92Å; Y40-N61 WeakPolarHBondContact CA-OD1 3.42Å; Y40-N61 WeakPolarHBondContact CB-O 3.31Å; Y41-N61 PolarHBondContact N-ND2 2.86Å; Y41-N61 PolarHBondContact N-OD1 2.89Å; Y41-N61 PolarHBondContact O-ND2 3.3Å; N59-N61 VanDerWaalsContact C-N 3.26Å; N59-N61 PolarHBondContact O-N 2.9Å; N59-N61 WeakPolarHBondContact OD1-CB 3.43Å; N59-N61 PolarHBondContact OD1-N 3.28Å; N61-F63 VanDerWaalsContact OD1-CE2 3.31Å; N61-F63 WeakPolarHBondContact OD1-CE2 3.26Å
62	N	96.3	Very high	93.7	Very high	27 Å²	27	64.9 Å²	64.9	14%	0.144	35%	0.35	C	S	.	.			trans	-150.1	93.7	-171.6	-176.4	-21.1	0	0	0	109.8	R38 F51 Y53 N59 A60	R38-N62 WeakPolarHBondContact CB-OD1 3.16Å; R38-N62 VanDerWaalsContact CD-OD1 3.3Å; R38-N62 WeakPolarHBondContact CD-OD1 3.43Å; R38-N62 WeakPolarHBondContact CG-OD1 3.41Å; R38-N62 PolarHBondContact NH1-OD1 3.27Å; F51-N62 HydrophobicContact CE1-CB 4.48Å; F51-N62 HydrophobicContact CZ-CB 4.06Å; Y53-N62 WeakPolarHBondContact CD2-ND2 3.35Å; N59-N62 WeakPolarHBondContact O-CB 3.18Å; A60-N62 PolarHBondContact O-N 2.75Å
63	F	96.4	Very high	93.7	Very high	13 Å²	13	61.6 Å²	61.6	6%	0.057	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-104.3	144.4	-176.8	-52.6	-75.8	0	0	0	110.5	R38 H39 N61 E68 C69 S72	R38-F63 WeakPolarHBondContact CD-O 3.37Å; H39-F63 HydrophobicContact CB-CB 4.37Å; H39-F63 PolarHBondContact N-O 3.13Å; H39-F63 WeakPolarHBondContact O-CD2 3.38Å; H39-F63 PolarHBondContact O-N 2.77Å; N61-F63 VanDerWaalsContact OD1-CE2 3.31Å; N61-F63 WeakPolarHBondContact OD1-CE2 3.26Å; F63-E68 HydrophobicContact CB-CB 4.22Å; F63-E68 HydrophobicContact CB-CG 4.26Å; F63-E68 HydrophobicContact CD1-CG 3.91Å; F63-C69 HydrophobicContact CB-CB 3.78Å; F63-C69 VanDerWaalsContact CD2-CA 3.47Å; F63-C69 HydrophobicContact CD2-CB 3.33Å; F63-C69 VanDerWaalsContact CD2-SG 3.55Å; F63-C69 HydrophobicContact CE2-CB 4.04Å; F63-C69 VanDerWaalsContact CG-CA 3.48Å; F63-C69 HydrophobicContact CG-CB 3.66Å; F63-S72 WeakPolarHBondContact CE1-OG 3.43Å
64	E	95.3	Very high	93.1	Very high	133 Å²	133	63.5 Å²	63.5	62%	0.621	35%	0.346	S	S	*	.	S	Bend	trans	-72	-36.6	-178.8	-172.4	169	-172.1	0	0	111.1	H39 E68	H39-E64 PolarHBondContact ND1-O 2.83Å; E64-E68 PolarHBondContact N-OE2 2.54Å
65	T	94.1	Very high	91.7	Very high	61 Å²	61	65.2 Å²	65.2	37%	0.374	36%	0.364	S	S	.	.	S	Bend	trans	-125.4	155.8	179.8	71.8	0	0	0	0	111.9	E67 E68 C69	T65-E67 PolarHBondContact O-N 2.83Å; T65-E68 PolarHBondContact O-N 2.95Å; T65-E68 WeakPolarHBondContact OG1-CB 3.31Å; T65-E68 PolarHBondContact OG1-N 2.8Å; T65-E68 VanDerWaalsContact OG1-N 3.12Å; T65-C69 PolarHBondContact O-N 3.25Å; T65-C69 VanDerWaalsContact O-N 3.14Å
66	I	91.9	Very high	89.9	Confident	72 Å²	72	72.3 Å²	72.3	37%	0.369	39%	0.388	S	S	.	.	H	α-helix	trans	-59	-35.7	173.3	-165.1	167.9	0	0	0	111.7	H39 C48 C69 Q70	H39-I66 PolarHBondContact CE1-N 2.86Å; H39-I66 PolarHBondContact ND1-N 3.09Å; C48-I66 HydrophobicContact CB-CG1 3.96Å; I66-C69 WeakPolarHBondContact O-CB 2.96Å; I66-C69 PolarHBondContact O-N 2.81Å; I66-Q70 HydrophobicContact CG1-CG 4.37Å; I66-Q70 WeakPolarHBondContact O-CB 3.45Å; I66-Q70 VanDerWaalsContact O-CG 3.26Å; I66-Q70 WeakPolarHBondContact O-CG 3.43Å; I66-Q70 PolarHBondContact O-N 3.4Å
67	E	93.6	Very high	87.8	Confident	145 Å²	145	80 Å²	80	68%	0.678	42%	0.42	S	S	*	.	H	α-helix	trans	-65	-41.6	178.5	-63.2	175.6	179.4	0	0	111.7	T65 C69 Q70 K71	T65-E67 PolarHBondContact O-N 2.83Å; E67-C69 VanDerWaalsContact C-N 3.34Å; E67-Q70 PolarHBondContact O-N 2.8Å; E67-K71 WeakPolarHBondContact O-CB 3.31Å; E67-K71 PolarHBondContact O-N 3.44Å
68	E	95	Very high	85.3	Confident	88 Å²	88	75.8 Å²	75.8	41%	0.411	42%	0.417	S	S	.	.	H	α-helix	trans	-64.5	-41.6	175.7	-174.4	-174.1	-164.6	0	0	111	F63 E64 T65 K71 S72	F63-E68 HydrophobicContact CB-CB 4.22Å; F63-E68 HydrophobicContact CB-CG 4.26Å; F63-E68 HydrophobicContact CD1-CG 3.91Å; E64-E68 PolarHBondContact N-OE2 2.54Å; T65-E68 PolarHBondContact O-N 2.95Å; T65-E68 WeakPolarHBondContact OG1-CB 3.31Å; T65-E68 PolarHBondContact OG1-N 2.8Å; T65-E68 VanDerWaalsContact OG1-N 3.12Å; E68-K71 PolarHBondContact O-N 2.8Å; E68-S72 VanDerWaalsContact O-CB 3.26Å; E68-S72 WeakPolarHBondContact O-CB 3.43Å; E68-S72 PolarHBondContact O-N 3Å; E68-S72 PolarHBondContact O-OG 3.39Å
69	C	95.4	Very high	83	Confident	0 Å²	0	83.9 Å²	83.9	0%	0	45%	0.447	C	S	.	.	H	α-helix	trans	-61.2	-50.3	174.6	178	0	0	0	0	111.9	H39 C48 F63 T65 I66 E67 K71 S72 C73	H39-C69 HydrophobicContact CB-CB 4.06Å; C48-C69 HydrophobicContact CB-CB 3.71Å; C48-C69 WeakPolarHBondContact CB-SG 2.97Å; C48-C69 WeakPolarHBondContact SG-CB 3.42Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 3.46Å; F63-C69 HydrophobicContact CB-CB 3.78Å; F63-C69 VanDerWaalsContact CD2-CA 3.47Å; F63-C69 HydrophobicContact CD2-CB 3.33Å; F63-C69 VanDerWaalsContact CD2-SG 3.55Å; F63-C69 HydrophobicContact CE2-CB 4.04Å; F63-C69 VanDerWaalsContact CG-CA 3.48Å; F63-C69 HydrophobicContact CG-CB 3.66Å; T65-C69 PolarHBondContact O-N 3.25Å; T65-C69 VanDerWaalsContact O-N 3.14Å; I66-C69 WeakPolarHBondContact O-CB 2.96Å; I66-C69 PolarHBondContact O-N 2.81Å; E67-C69 VanDerWaalsContact C-N 3.34Å; C69-K71 VanDerWaalsContact C-N 3.27Å; C69-K71 PolarHBondContact O-N 2.89Å; C69-S72 PolarHBondContact O-N 2.75Å; C69-S72 VanDerWaalsContact O-N 3.16Å; C69-C73 WeakPolarHBondContact O-CB 3.47Å; C69-C73 PolarHBondContact O-N 3.36Å
70	Q	92.8	Very high	80.7	Confident	114 Å²	114	89.3 Å²	89.3	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-64.8	-31.8	-179.6	-73.7	172.6	-25.6	0	0	112.5	C48 I66 E67	C48-Q70 HydrophobicContact CB-CG 4.21Å; C48-Q70 PolarHBondContact SG-N 2.87Å; I66-Q70 HydrophobicContact CG1-CG 4.37Å; I66-Q70 WeakPolarHBondContact O-CB 3.45Å; I66-Q70 VanDerWaalsContact O-CG 3.26Å; I66-Q70 WeakPolarHBondContact O-CG 3.43Å; I66-Q70 PolarHBondContact O-N 3.4Å; E67-Q70 PolarHBondContact O-N 2.8Å
71	K	92.7	Very high	78	Confident	190 Å²	190	94.9 Å²	94.9	83%	0.826	49%	0.485	S	S	*	.	H	α-helix	trans	-74.2	-34.3	175.2	-176.6	-179.7	177	-174.3	0	112.3	E67 E68 C69	E67-K71 WeakPolarHBondContact O-CB 3.31Å; E67-K71 PolarHBondContact O-N 3.44Å; E68-K71 PolarHBondContact O-N 2.8Å; C69-K71 VanDerWaalsContact C-N 3.27Å; C69-K71 PolarHBondContact O-N 2.89Å
72	S	92.6	Very high	75.4	Confident	65 Å²	65	103.7 Å²	103.7	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-85.2	-26.8	-175.1	-57.2	0	0	0	0	112.9	F63 E68 C69	F63-S72 WeakPolarHBondContact CE1-OG 3.43Å; E68-S72 VanDerWaalsContact O-CB 3.26Å; E68-S72 WeakPolarHBondContact O-CB 3.43Å; E68-S72 PolarHBondContact O-N 3Å; E68-S72 PolarHBondContact O-OG 3.39Å; C69-S72 PolarHBondContact O-N 2.75Å; C69-S72 VanDerWaalsContact O-N 3.16Å
73	C	93.5	Very high	72.7	Confident	4 Å²	4	111.8 Å²	111.8	3%	0.027	56%	0.564	C	S	.	*	S	Bend	trans	-121.3	142.1	-176.5	-64.4	0	0	0	0	111.7	C23 Y41 C69 G75	C23-C73 VanDerWaalsContact CA-SG 3.58Å; C23-C73 HydrophobicContact CB-CB 3.74Å; C23-C73 WeakPolarHBondContact CB-SG 3.2Å; C23-C73 WeakPolarHBondContact SG-CA 3.42Å; C23-C73 WeakPolarHBondContact SG-CB 3.22Å; C23-C73 CovalentContact SG-SG 2.03Å; C23-C73 PolarHBondContact SG-SG 2.76Å; Y41-C73 WeakPolarHBondContact CB-SG 3.31Å; Y41-C73 HydrophobicContact CD1-CB 4.03Å; Y41-C73 HydrophobicContact CD2-CB 3.25Å; Y41-C73 HydrophobicContact CE1-CB 4.46Å; Y41-C73 HydrophobicContact CE2-CB 3.77Å; Y41-C73 HydrophobicContact CG-CB 3.37Å; C69-C73 WeakPolarHBondContact O-CB 3.47Å; C69-C73 PolarHBondContact O-N 3.36Å; C73-G75 PolarHBondContact O-N 3.47Å
74	P	81	Confident	70	Confident	73 Å²	73	115.1 Å²	115.1	47%	0.474	60%	0.602	S	S	.	*			trans	-65.3	108.2	-174.6	25.3	-32.7	0	0	0	111.1	Y41	Y41-P74 WeakPolarHBondContact CE2-O 3.41Å; Y41-P74 VanDerWaalsContact CZ-O 3.28Å; Y41-P74 PolarHBondContact OH-O 2.73Å
75	G	63.6	Low	67.3	Low	40 Å²	40	116.7 Å²	116.7	41%	0.412	61%	0.609	S	S	.	*			trans	-70.9	161.8	156.2	0	0	0	0	0	109.7	C73 E77	C73-G75 PolarHBondContact O-N 3.47Å; G75-E77 PolarHBondContact O-N 2.03Å
76	E	53.1	Low	65.1	Low	182 Å²	182	123.1 Å²	123.1	85%	0.85	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	14.7	-172.4	-65.9	-166.2	129.6	0	0	117.3	K46	K46-E76 HydrophobicContact CB-CG 4.38Å
77	E	51	Low	62.4	Low	197 Å²	197	128.2 Å²	128.2	92%	0.921	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	23.4	-171.5	-61.1	-171.3	160	0	0	114.8	G75	G75-E77 PolarHBondContact O-N 2.03Å
78	G	39.4	Very low	60	Low	61 Å²	61	130.7 Å²	130.7	63%	0.629	67%	0.666	S	S	*	*			trans	-139.3	49	-169.5	0	0	0	0	0	117.9
79	E	40.5	Very low	57.3	Low	198 Å²	198	135.9 Å²	135.9	93%	0.925	69%	0.69	S	S	*	*			trans	-119.8	85.9	158.9	-80.2	-169.5	162.6	0	0	110.4
80	E	45.6	Very low	54.8	Low	157 Å²	157	139.8 Å²	139.8	73%	0.734	73%	0.73	S	S	*	*			trans	-135.8	124.6	156.2	-88.5	-158.8	174.1	0	0	111.3
81	K	39.1	Very low	52.3	Low	172 Å²	172	142.7 Å²	142.7	75%	0.748	74%	0.744	S	S	*	*			trans	86.3	113.1	146.8	-66.7	164.5	177.3	142.7	0	119.8
82	E	40.4	Very low	50.3	Low	186 Å²	186	141.9 Å²	141.9	87%	0.869	74%	0.742	S	S	*	*				-154.9	105	117.6	-98.8	177.5	-166.3	0	0	107.2
83	E	39.7	Very low	48.2	Very low	197 Å²	197	146.5 Å²	146.5	92%	0.921	75%	0.754	S	S	*	*				76.5	119.8	99.6	-80.9	-166.5	166.5	0	0	115.8
84	G	40.1	Very low	45.9	Very low	83 Å²	83	152.4 Å²	152.4	86%	0.856	78%	0.782	S	S	*	*			trans	171.7	71.9	176.5	0	0	0	0	0	113
85	E	37.7	Very low	44	Very low	166 Å²	166	157.7 Å²	157.7	78%	0.776	80%	0.8	S	S	*	*			trans	-77.3	134.5	175.2	-174.5	-179.8	164.5	0	0	111.7
86	Q	48.1	Very low	42.9	Very low	195 Å²	195	159.5 Å²	159.5	91%	0.911	82%	0.819	S	S	*	*			trans	-174.2	137.7	132.8	-100.4	167.3	30.2	0	0	112.9
87	K	36.8	Very low	42.1	Very low	179 Å²	179	160.2 Å²	160.2	78%	0.778	82%	0.822	S	S	*	*			trans	-73.3	153	-176.8	-63.1	164.6	177.4	171.3	0	111.8
88	E	42.4	Very low	42	Very low	197 Å²	197	159.5 Å²	159.5	92%	0.921	82%	0.819	S	S	*	*				-172.4	152.6	118.9	-103.1	177	-167.4	0	0	112.6
89	E	39	Very low	42	Very low	198 Å²	198	166 Å²	166	93%	0.925	83%	0.833	S	S	*	*			trans	-77	151.7	-166.4	-65.3	165.3	142.6	0	0	113.3
90	G	41.6	Very low	42.6	Very low	81 Å²	81	163.2 Å²	163.2	84%	0.835	82%	0.82	S	S	*	*			trans	-170	89.7	173.2	0	0	0	0	0	111.1
91	E	41.4	Very low	42.8	Very low	176 Å²	176	164.8 Å²	164.8	82%	0.822	82%	0.824	S	S	*	*			trans	-84.5	136.9	174.8	-176.1	-176.2	144	0	0	111.1
92	Q	50.6	Low	43.4	Very low	172 Å²	172	165 Å²	165	80%	0.804	83%	0.828	S	S	*	*			trans	174.5	114.8	142	-94.4	161.7	32.6	0	0	108.4
93	K	47	Very low	43.9	Very low	162 Å²	162	162.6 Å²	162.6	70%	0.704	82%	0.816	S	S	*	*				58.1	126.5	102.5	-78.5	172.5	158.8	-108	0	112
94	E	45.4	Very low	44.4	Very low	129 Å²	129	162.1 Å²	162.1	60%	0.603	81%	0.814	S	S	*	*			cis	-175.2	153.6	32.4	-115.5	156.9	-160.2	0	0	108.5
95	E	41.3	Very low	45.3	Very low	183 Å²	183	162 Å²	162	86%	0.855	81%	0.813	S	S	*	*			trans	82.1	116.5	142.2	-68.2	170.3	-175.3	0	0	122.1
96	G	41.3	Very low	47	Very low	78 Å²	78	155.2 Å²	155.2	80%	0.804	79%	0.788	S	S	*	*			trans	146.5	53.5	165.6	0	0	0	0	0	113.8	E98	G96-E98 PolarHBondContact O-N 3.32Å
97	E	36.6	Very low	49	Very low	197 Å²	197	149.4 Å²	149.4	92%	0.921	76%	0.763	S	S	*	*			trans	-73.8	100.6	164.5	-77.2	178.3	150.4	0	0	108.5
98	E	48	Very low	51.7	Low	183 Å²	183	142.6 Å²	142.6	86%	0.855	74%	0.737	S	S	*	*			trans	-104	112.8	153.6	-71.5	-171.3	168.5	0	0	107.2	G96 E100	G96-E98 PolarHBondContact O-N 3.32Å; E98-E100 VanDerWaalsContact C-N 3.33Å; E98-E100 PolarHBondContact O-N 2.88Å
99	E	39.8	Very low	54.2	Low	197 Å²	197	133.5 Å²	133.5	92%	0.921	70%	0.695	S	S	*	*			trans	-59.5	91.1	172.3	-71.5	-178.4	144.1	0	0	109.8	K101	E99-K101 PolarHBondContact O-N 3.45Å; E99-K101 VanDerWaalsContact O-N 3.16Å
100	E	51.9	Low	56.9	Low	139 Å²	139	130.3 Å²	130.3	65%	0.65	68%	0.68	S	S	*	*			trans	-72.2	104.9	164.6	-74	-169.8	166.3	0	0	108.4	E98 E102 K114	E98-E100 VanDerWaalsContact C-N 3.33Å; E98-E100 PolarHBondContact O-N 2.88Å; E100-E102 PolarHBondContact O-N 3.36Å; E100-E102 VanDerWaalsContact O-N 3.09Å; E100-K114 IonicContact OE2-NZ 3.42Å; E100-K114 PolarHBondContact OE2-NZ 2.91Å
101	K	50.2	Low	59.4	Low	190 Å²	190	127.9 Å²	127.9	83%	0.826	65%	0.648	S	S	*	*			trans	-46.9	118.2	163.8	-92.1	-177.3	172.6	-178.5	0	109.3	E99 E103	E99-K101 PolarHBondContact O-N 3.45Å; E99-K101 VanDerWaalsContact O-N 3.16Å; K101-E103 VanDerWaalsContact C-N 3.31Å; K101-E103 PolarHBondContact O-N 2.88Å
102	E	51.2	Low	62	Low	178 Å²	178	123.7 Å²	123.7	83%	0.832	64%	0.636	S	S	*	*			trans	-62.6	93.5	166.6	-65.7	-177	153.9	0	0	108.4	E100 E104	E100-E102 PolarHBondContact O-N 3.36Å; E100-E102 VanDerWaalsContact O-N 3.09Å; E102-E104 PolarHBondContact O-N 3.44Å
103	E	52.4	Low	64.1	Low	134 Å²	134	117.4 Å²	117.4	63%	0.626	61%	0.614	S	S	*	*			trans	-72.9	66.8	162.2	-73.3	-94.3	151.1	0	0	108.1	K101 G105	K101-E103 VanDerWaalsContact C-N 3.31Å; K101-E103 PolarHBondContact O-N 2.88Å; E103-G105 PolarHBondContact O-N 2.92Å; E103-G105 VanDerWaalsContact O-N 3.07Å
104	E	50.4	Low	66.5	Low	188 Å²	188	113.1 Å²	113.1	88%	0.879	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	96	160.1	-96.5	-161.5	143.2	0	0	107.6	E102	E102-E104 PolarHBondContact O-N 3.44Å
105	G	57.7	Low	68.9	Low	81 Å²	81	112.5 Å²	112.5	84%	0.835	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	132	6	172.3	0	0	0	0	0	116.7	E103	E103-G105 PolarHBondContact O-N 2.92Å; E103-G105 VanDerWaalsContact O-N 3.07Å
106	G	73	Confident	71.5	Confident	23 Å²	23	105 Å²	105	24%	0.237	56%	0.562	C	S	.	*			trans	-77.8	155.9	176.3	0	0	0	0	0	114.1	P108	G106-P108 WeakPolarHBondContact O-CD 3.47Å
107	N	90.1	Very high	74	Confident	73 Å²	73	105.4 Å²	105.4	39%	0.39	55%	0.55	S	S	.	*			trans	-53.5	120.1	168.1	176.1	0.1	0	0	0	109.7	C109 E110	N107-C109 PolarHBondContact O-N 2.79Å; N107-C109 WeakPolarHBondContact OD1-CB 3.19Å; N107-C109 PolarHBondContact OD1-N 3.14Å; N107-C109 VanDerWaalsContact OD1-N 3.09Å; N107-C109 PolarHBondContact OD1-SG 3.12Å; N107-C109 VanDerWaalsContact OD1-SG 3.34Å; N107-E110 HydrophobicContact CB-CB 4.47Å; N107-E110 HydrophobicContact CB-CG 4.16Å; N107-E110 PolarHBondContact ND2-OE1 3.31Å; N107-E110 VanDerWaalsContact ND2-OE1 3.11Å; N107-E110 PolarHBondContact O-N 3.26Å
108	P	94	Very high	76.9	Confident	35 Å²	35	98.4 Å²	98.4	23%	0.227	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-48.9	-36.1	179.5	-30	36	0	0	0	113.2	G106 E110 L111 A146 N147 F149	G106-P108 WeakPolarHBondContact O-CD 3.47Å; P108-E110 PolarHBondContact O-N 2.91Å; P108-L111 PolarHBondContact O-N 2.89Å; P108-A146 HydrophobicContact CB-CB 4.16Å; P108-A146 HydrophobicContact CG-CB 3.94Å; P108-N147 WeakPolarHBondContact O-CB 3.33Å; P108-N147 VanDerWaalsContact O-CG 3.29Å; P108-N147 PolarHBondContact O-ND2 3.4Å; P108-F149 HydrophobicContact CB-CZ 4.05Å
109	C	95.7	Very high	79.1	Confident	7 Å²	7	101.6 Å²	101.6	5%	0.047	53%	0.527	C	S	.	.	G	3₁₀ helix	trans	-74.8	-5	-174.7	-43.5	0	0	0	0	114.1	N107 Y127 C159	N107-C109 PolarHBondContact O-N 2.79Å; N107-C109 WeakPolarHBondContact OD1-CB 3.19Å; N107-C109 PolarHBondContact OD1-N 3.14Å; N107-C109 VanDerWaalsContact OD1-N 3.09Å; N107-C109 PolarHBondContact OD1-SG 3.12Å; N107-C109 VanDerWaalsContact OD1-SG 3.34Å; C109-Y127 HydrophobicContact CB-CD1 3.78Å; C109-Y127 HydrophobicContact CB-CE1 4.17Å; C109-Y127 HydrophobicContact CB-CG 4.32Å; C109-Y127 WeakPolarHBondContact O-CD1 3.44Å; C109-Y127 WeakPolarHBondContact O-CE1 2.97Å; C109-C159 WeakPolarHBondContact CA-SG 3.5Å; C109-C159 HydrophobicContact CB-CB 3.75Å; C109-C159 WeakPolarHBondContact CB-SG 3.47Å; C109-C159 WeakPolarHBondContact SG-CA 3.3Å; C109-C159 WeakPolarHBondContact SG-CB 3.13Å; C109-C159 CovalentContact SG-SG 2.04Å; C109-C159 PolarHBondContact SG-SG 2.78Å
110	E	94.8	Very high	81.7	Confident	131 Å²	131	94 Å²	94	61%	0.612	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-103.3	-14.3	176.4	-68.1	175.5	-153	0	0	112.4	N107 P108	N107-E110 HydrophobicContact CB-CB 4.47Å; N107-E110 HydrophobicContact CB-CG 4.16Å; N107-E110 PolarHBondContact ND2-OE1 3.31Å; N107-E110 VanDerWaalsContact ND2-OE1 3.11Å; N107-E110 PolarHBondContact O-N 3.26Å; P108-E110 PolarHBondContact O-N 2.91Å
111	L	94.8	Very high	83.8	Confident	30 Å²	30	91.2 Å²	91.2	16%	0.157	50%	0.498	C	S	.	.	S	Bend	trans	-82.9	151.3	-176.9	-56.4	172.8	0	0	0	111.3	P108 N145 A146 N147	P108-L111 PolarHBondContact O-N 2.89Å; L111-N145 HydrophobicContact CD1-CB 4.1Å; L111-A146 HydrophobicContact CD1-CB 3.99Å; L111-N147 HydrophobicContact CB-CB 4.01Å; L111-N147 PolarHBondContact O-ND2 3.25Å
112	P	95.6	Very high	85.9	Confident	87 Å²	87	87.2 Å²	87.2	57%	0.565	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-76.1	162	174.4	32	-35.7	0	0	0	112	K114 N145	P112-K114 PolarHBondContact O-N 3.31Å; P112-N145 PolarHBondContact O-ND2 2.82Å; P112-N145 PolarHBondContact O-OD1 2.61Å
113	A	95.8	Very high	88	Confident	41 Å²	41	83.2 Å²	83.2	34%	0.339	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-60.9	123.7	165.1	0	0	0	0	0	110.5	Y126 F137	A113-Y126 HydrophobicContact CB-CD1 4.01Å; A113-Y126 HydrophobicContact CB-CD2 3.56Å; A113-Y126 HydrophobicContact CB-CE1 4.26Å; A113-Y126 HydrophobicContact CB-CE2 3.8Å; A113-Y126 HydrophobicContact CB-CG 3.67Å; A113-F137 HydrophobicContact CB-CB 4.17Å; A113-F137 HydrophobicContact CB-CD1 4.49Å; A113-F137 HydrophobicContact CB-CD2 3.83Å; A113-F137 HydrophobicContact CB-CE2 4.33Å; A113-F137 HydrophobicContact CB-CG 3.91Å
114	K	96.8	Very high	90.2	Very high	71 Å²	71	78.2 Å²	78.2	31%	0.309	45%	0.445	S	S	.	.			trans	-119.7	104.5	-178.4	-172.3	163.9	-179.1	152.9	0	111.8	E100 P112 G116 R143 N145	E100-K114 IonicContact OE2-NZ 3.42Å; E100-K114 PolarHBondContact OE2-NZ 2.91Å; P112-K114 PolarHBondContact O-N 3.31Å; K114-G116 VanDerWaalsContact C-N 3.34Å; K114-G116 PolarHBondContact O-N 3.33Å; K114-R143 VanDerWaalsContact CE-O 3.31Å; K114-R143 WeakPolarHBondContact CE-O 3.35Å; K114-N145 HydrophobicContact CB-CB 4.4Å; K114-N145 HydrophobicContact CD-CB 4.34Å
115	K	96	Very high	92.4	Very high	116 Å²	116	72.3 Å²	72.3	50%	0.504	42%	0.415	S	S	.	.			trans	-62.9	-38.9	175.9	179.6	174.8	179	-180	0	112.4	V138 Y139 G140	K115-V138 WeakPolarHBondContact CB-O 3.48Å; K115-V138 WeakPolarHBondContact CG-O 3.37Å; K115-Y139 WeakPolarHBondContact O-CD2 3.2Å; K115-G140 VanDerWaalsContact O-CA 3.22Å; K115-G140 WeakPolarHBondContact O-CA 3.38Å; K115-G140 PolarHBondContact O-N 2.84Å
116	G	94.9	Very high	94.3	Very high	25 Å²	25	70.2 Å²	70.2	26%	0.258	38%	0.382	S	S	.	.			trans	74.2	177	-173.1	0	0	0	0	0	113.7	K114 C142	K114-G116 VanDerWaalsContact C-N 3.34Å; K114-G116 PolarHBondContact O-N 3.33Å; G116-C142 WeakPolarHBondContact CA-O 3.29Å
117	P	94.7	Very high	95.5	Very high	87 Å²	87	69.9 Å²	69.9	57%	0.565	37%	0.374	S	S	*	.	S	Bend	trans	-85.2	-12.2	-170.1	33.2	-34.6	0	0	0	114.2	R143	P117-R143 HydrophobicContact CG-CB 4.38Å; P117-R143 HydrophobicContact CG-CG 4.38Å
118	C	97.1	Very high	95.7	Very high	50 Å²	50	67.4 Å²	67.4	34%	0.338	36%	0.361	S	S	.	.			trans	-73.7	159.8	179.2	-71.1	0	0	0	0	112.1	G140 C142	C118-G140 CarbonylContact C-O 3.42Å; C118-G140 WeakPolarHBondContact CB-O 3.45Å; C118-G140 WeakPolarHBondContact O-CA 3.49Å; C118-C142 HydrophobicContact CB-CB 3.84Å; C118-C142 WeakPolarHBondContact CB-SG 3.19Å; C118-C142 PolarHBondContact N-SG 3.3Å; C118-C142 WeakPolarHBondContact SG-CB 2.89Å; C118-C142 CovalentContact SG-SG 2.01Å; C118-C142 PolarHBondContact SG-SG 3.32Å
119	R	95.2	Very high	95.7	Very high	251 Å²	251	71.8 Å²	71.8	95%	0.947	38%	0.376	S	S	*	.			trans	-104.1	7.5	-168.9	-63	-177.2	177.8	174.5	-0.8	114.4	G140	R119-G140 PolarHBondContact N-O 3.24Å
120	A	94.7	Very high	95.4	Very high	37 Å²	37	78 Å²	78	31%	0.306	41%	0.409	S	S	.	.			trans	-69.7	166.9	172.2	0	0	0	0	0	110.7	F122 G140	A120-F122 HydrophobicContact CB-CD2 3.77Å; A120-F122 HydrophobicContact CB-CE2 3.31Å; A120-F122 HydrophobicContact CB-CZ 3.9Å; A120-G140 VanDerWaalsContact CB-O 3.26Å; A120-G140 WeakPolarHBondContact CB-O 3.29Å; A120-G140 PolarHBondContact N-O 3.18Å; A120-G140 WeakPolarHBondContact O-CA 3.5Å
121	A	94.7	Very high	95.3	Very high	80 Å²	80	74.4 Å²	74.4	66%	0.661	40%	0.396	S	S	*	.			trans	-131.8	66.6	-178.7	0	0	0	0	0	110.8	V138	A121-V138 HydrophobicContact CB-CG1 4.05Å
122	F	94.3	Very high	95.1	Very high	107 Å²	107	76.8 Å²	76.8	47%	0.469	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125.3	176.4	-58	-68	0	0	0	109.9	A120 K124 V138 Y139	A120-F122 HydrophobicContact CB-CD2 3.77Å; A120-F122 HydrophobicContact CB-CE2 3.31Å; A120-F122 HydrophobicContact CB-CZ 3.9Å; F122-K124 HydrophobicContact CB-CG 4.33Å; F122-K124 PolarHBondContact O-N 2.97Å; F122-V138 WeakPolarHBondContact O-CA 3.3Å; F122-Y139 HydrophobicContact CD2-CD1 4.41Å; F122-Y139 PolarHBondContact N-O 3.45Å; F122-Y139 PolarHBondContact O-N 3.29Å
123	T	96.1	Very high	95	Very high	94 Å²	94	77.7 Å²	77.7	58%	0.577	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.4	170.9	-59.5	0	0	0	0	108.2	T136	T123-T136 HydrophobicContact CG2-CG2 4.02Å
124	K	97.3	Very high	95	Very high	29 Å²	29	76.1 Å²	76.1	13%	0.126	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	165.8	179.1	-63.6	-67.2	-173.9	-166.6	0	109.5	F122 T136 F137 Y139 N148 E150	F122-K124 HydrophobicContact CB-CG 4.33Å; F122-K124 PolarHBondContact O-N 2.97Å; K124-T136 CarbonylContact O-C 3.51Å; K124-T136 WeakPolarHBondContact O-CA 3.36Å; K124-F137 HydrophobicContact CB-CD1 4.09Å; K124-F137 HydrophobicContact CB-CE1 3.57Å; K124-F137 HydrophobicContact CB-CZ 4.16Å; K124-F137 PolarHBondContact N-O 2.56Å; K124-F137 WeakPolarHBondContact O-CD1 3.16Å; K124-F137 PolarHBondContact O-N 3.09Å; K124-Y139 HydrophobicContact CG-CD1 4.44Å; K124-N148 VanDerWaalsContact CB-OD1 3.26Å; K124-N148 WeakPolarHBondContact CB-OD1 3.29Å; K124-N148 WeakPolarHBondContact CG-OD1 3.5Å; K124-E150 IonicContact NZ-OE1 3.72Å; K124-E150 PolarHBondContact NZ-OE1 3.49Å; K124-E150 IonicContact NZ-OE2 2.7Å; K124-E150 PolarHBondContact NZ-OE2 3.3Å
125	Y	97.6	Very high	95	Very high	63 Å²	63	75.5 Å²	75.5	25%	0.247	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144.7	172	-69.8	-94	0	0	0	110.6	E135 T136 F149 T151 K152	Y125-E135 CarbonylContact C-O 3.17Å; Y125-E135 VanDerWaalsContact CA-O 3.28Å; Y125-E135 WeakPolarHBondContact CA-O 3.46Å; Y125-T136 HydrophobicContact CD1-CG2 4Å; Y125-T136 HydrophobicContact CE1-CG2 3.55Å; Y125-T136 HydrophobicContact CE2-CG2 4.34Å; Y125-F149 PolarHBondContact N-O 2.85Å; Y125-F149 PolarHBondContact O-N 3.5Å; Y125-T151 VanDerWaalsContact CD2-C 3.4Å; Y125-K152 HydrophobicContact CD1-CB 3.81Å; Y125-K152 HydrophobicContact CD1-CG 3.91Å; Y125-K152 VanDerWaalsContact CD2-N 3.33Å; Y125-K152 HydrophobicContact CE1-CB 3.5Å; Y125-K152 HydrophobicContact CE1-CD 4.01Å; Y125-K152 HydrophobicContact CE1-CG 3.72Å; Y125-K152 HydrophobicContact CE2-CB 4.27Å; Y125-K152 HydrophobicContact CG-CB 4.3Å
126	Y	97.6	Very high	95.1	Very high	38 Å²	38	74 Å²	74	15%	0.149	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	152.3	168.2	81.7	-71	0	0	0	108.8	A113 N128 C134 E135 F137 N147	A113-Y126 HydrophobicContact CB-CD1 4.01Å; A113-Y126 HydrophobicContact CB-CD2 3.56Å; A113-Y126 HydrophobicContact CB-CE1 4.26Å; A113-Y126 HydrophobicContact CB-CE2 3.8Å; A113-Y126 HydrophobicContact CB-CG 3.67Å; Y126-N128 HydrophobicContact CE2-CB 3.76Å; Y126-N128 PolarHBondContact O-N 3.48Å; Y126-N128 PolarHBondContact OH-ND2 3.01Å; Y126-C134 WeakPolarHBondContact O-CA 3.26Å; Y126-E135 HydrophobicContact CD1-CB 4.19Å; Y126-E135 VanDerWaalsContact CD1-O 3.26Å; Y126-E135 WeakPolarHBondContact CD1-O 2.98Å; Y126-E135 HydrophobicContact CE1-CB 3.57Å; Y126-E135 PolarHBondContact N-O 2.83Å; Y126-E135 PolarHBondContact O-N 2.9Å; Y126-E135 PolarHBondContact OH-OE2 3.14Å; Y126-F137 HydrophobicContact CD1-CB 3.79Å; Y126-F137 AromaticContact CD1-CD1 3.74Å; Y126-F137 HydrophobicContact CD1-CD1 3.74Å; Y126-F137 HydrophobicContact CD1-CG 4.03Å; Y126-F137 HydrophobicContact CE1-CB 4.08Å; Y126-F137 HydrophobicContact CG-CD1 4.08Å; Y126-N147 VanDerWaalsContact CA-OD1 3.29Å; Y126-N147 WeakPolarHBondContact CA-OD1 2.97Å; Y126-N147 WeakPolarHBondContact CB-O 3.4Å; Y126-N147 WeakPolarHBondContact CB-OD1 3.45Å
127	Y	97.3	Very high	95.2	Very high	15 Å²	15	74 Å²	74	6%	0.059	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.4	171.2	179.2	-100.2	0	0	0	109.9	C109 K129 K132 N147 C159 P160 V161	C109-Y127 HydrophobicContact CB-CD1 3.78Å; C109-Y127 HydrophobicContact CB-CE1 4.17Å; C109-Y127 HydrophobicContact CB-CG 4.32Å; C109-Y127 WeakPolarHBondContact O-CD1 3.44Å; C109-Y127 WeakPolarHBondContact O-CE1 2.97Å; Y127-K129 HydrophobicContact CE1-CB 4.16Å; Y127-K132 WeakPolarHBondContact OH-CA 3.29Å; Y127-N147 PolarHBondContact N-OD1 2.87Å; Y127-N147 PolarHBondContact O-ND2 2.73Å; Y127-C159 VanDerWaalsContact CB-SG 3.55Å; Y127-C159 HydrophobicContact CD1-CB 4.14Å; Y127-C159 HydrophobicContact CD2-CB 3.35Å; Y127-C159 HydrophobicContact CE2-CB 3.98Å; Y127-C159 HydrophobicContact CG-CB 3.44Å; Y127-C159 VanDerWaalsContact CG-CB 3.44Å; Y127-P160 WeakPolarHBondContact CE2-O 3.15Å; Y127-P160 PolarHBondContact OH-O 2.74Å; Y127-V161 HydrophobicContact CD2-CG2 3.96Å; Y127-V161 HydrophobicContact CE2-CG2 3.9Å
128	N	94.9	Very high	95.3	Very high	21 Å²	21	73 Å²	73	11%	0.112	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.2	172.5	-177.7	-22.1	0	0	0	109.2	Y126 D130 T131 K132 Q133 E135	Y126-N128 HydrophobicContact CE2-CB 3.76Å; Y126-N128 PolarHBondContact O-N 3.48Å; Y126-N128 PolarHBondContact OH-ND2 3.01Å; N128-D130 VanDerWaalsContact C-N 3.25Å; N128-D130 PolarHBondContact O-N 3.26Å; N128-D130 WeakPolarHBondContact OD1-CB 3.13Å; N128-D130 PolarHBondContact OD1-N 2.65Å; N128-T131 VanDerWaalsContact CB-OG1 3.28Å; N128-T131 WeakPolarHBondContact CB-OG1 3.35Å; N128-T131 VanDerWaalsContact CG-OG1 3.24Å; N128-T131 PolarHBondContact OD1-N 2.83Å; N128-K132 WeakPolarHBondContact O-CA 3.19Å; N128-K132 PolarHBondContact O-N 3.35Å; N128-Q133 PolarHBondContact N-O 3.17Å; N128-Q133 PolarHBondContact O-N 3.09Å; N128-E135 HydrophobicContact CB-CG 4.25Å; N128-E135 VanDerWaalsContact ND2-CD 3.27Å; N128-E135 PolarHBondContact ND2-OE1 3.23Å; N128-E135 VanDerWaalsContact ND2-OE1 3.08Å; N128-E135 PolarHBondContact ND2-OE2 3.07Å
129	K	92.9	Very high	95.3	Very high	128 Å²	128	72.5 Å²	72.5	56%	0.557	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.7	-179.1	68	-176.4	-180	-174.6	0	114.1	Y127	Y127-K129 HydrophobicContact CE1-CB 4.16Å
130	D	90.5	Very high	95.3	Very high	136 Å²	136	60.6 Å²	60.6	73%	0.727	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-41.5	-177.6	-58.9	-43.2	0	0	0	110.7	N128	N128-D130 VanDerWaalsContact C-N 3.25Å; N128-D130 PolarHBondContact O-N 3.26Å; N128-D130 WeakPolarHBondContact OD1-CB 3.13Å; N128-D130 PolarHBondContact OD1-N 2.65Å
131	T	92.3	Very high	95.3	Very high	57 Å²	57	60.4 Å²	60.4	35%	0.35	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.7	176.6	64.9	0	0	0	0	113.2	N128 Q133 E135	N128-T131 VanDerWaalsContact CB-OG1 3.28Å; N128-T131 WeakPolarHBondContact CB-OG1 3.35Å; N128-T131 VanDerWaalsContact CG-OG1 3.24Å; N128-T131 PolarHBondContact OD1-N 2.83Å; T131-Q133 WeakPolarHBondContact O-CG 3.44Å; T131-Q133 PolarHBondContact O-N 3.5Å; T131-Q133 PolarHBondContact O-NE2 3.34Å; T131-E135 WeakPolarHBondContact CB-OE1 3.41Å; T131-E135 VanDerWaalsContact CG2-OE1 3.25Å; T131-E135 WeakPolarHBondContact CG2-OE1 3.34Å; T131-E135 PolarHBondContact OG1-OE1 2.03Å
132	K	91.2	Very high	95.4	Very high	80 Å²	80	58 Å²	58	35%	0.348	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	37.7	-173.2	-60.2	178.1	178.2	171.4	0	112.7	Y127 N128 V161 E162	Y127-K132 WeakPolarHBondContact OH-CA 3.29Å; N128-K132 WeakPolarHBondContact O-CA 3.19Å; N128-K132 PolarHBondContact O-N 3.35Å; K132-V161 WeakPolarHBondContact O-CA 3.28Å; K132-E162 HydrophobicContact CB-CB 4.28Å; K132-E162 HydrophobicContact CB-CG 4.29Å; K132-E162 HydrophobicContact CD-CB 4.46Å; K132-E162 HydrophobicContact CD-CG 3.71Å; K132-E162 VanDerWaalsContact CD-OE1 3.3Å; K132-E162 WeakPolarHBondContact CD-OE1 3.45Å; K132-E162 WeakPolarHBondContact CD-OE2 3.43Å; K132-E162 IonicContact NZ-OE1 3.22Å; K132-E162 PolarHBondContact NZ-OE1 3.34Å; K132-E162 IonicContact NZ-OE2 3.66Å; K132-E162 PolarHBondContact O-N 2.83Å
133	Q	93.9	Very high	95.4	Very high	106 Å²	106	62.3 Å²	62.3	50%	0.495	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.2	-174.9	-75.8	172.7	71.9	0	0	111.1	N128 T131	N128-Q133 PolarHBondContact N-O 3.17Å; N128-Q133 PolarHBondContact O-N 3.09Å; T131-Q133 WeakPolarHBondContact O-CG 3.44Å; T131-Q133 PolarHBondContact O-N 3.5Å; T131-Q133 PolarHBondContact O-NE2 3.34Å
134	C	95.3	Very high	95.2	Very high	8 Å²	8	59 Å²	59	5%	0.054	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.6	170.4	-70.7	0	0	0	0	110	Y126 K152 C155 E156	Y126-C134 WeakPolarHBondContact O-CA 3.26Å; C134-K152 HydrophobicContact CB-CG 4.14Å; C134-C155 HydrophobicContact CB-CB 3.67Å; C134-C155 WeakPolarHBondContact CB-SG 3.23Å; C134-C155 WeakPolarHBondContact SG-CB 3.34Å; C134-C155 CovalentContact SG-SG 2.03Å; C134-C155 PolarHBondContact SG-SG 3.34Å; C134-E156 HydrophobicContact CB-CG 4Å; C134-E156 PolarHBondContact SG-N 3.39Å
135	E	96.7	Very high	95.2	Very high	58 Å²	58	59.5 Å²	59.5	27%	0.271	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	157.6	-175.9	-69.1	173.9	-167.6	0	0	110.2	Y125 Y126 N128 T131	Y125-E135 CarbonylContact C-O 3.17Å; Y125-E135 VanDerWaalsContact CA-O 3.28Å; Y125-E135 WeakPolarHBondContact CA-O 3.46Å; Y126-E135 HydrophobicContact CD1-CB 4.19Å; Y126-E135 VanDerWaalsContact CD1-O 3.26Å; Y126-E135 WeakPolarHBondContact CD1-O 2.98Å; Y126-E135 HydrophobicContact CE1-CB 3.57Å; Y126-E135 PolarHBondContact N-O 2.83Å; Y126-E135 PolarHBondContact O-N 2.9Å; Y126-E135 PolarHBondContact OH-OE2 3.14Å; N128-E135 HydrophobicContact CB-CG 4.25Å; N128-E135 VanDerWaalsContact ND2-CD 3.27Å; N128-E135 PolarHBondContact ND2-OE1 3.23Å; N128-E135 VanDerWaalsContact ND2-OE1 3.08Å; N128-E135 PolarHBondContact ND2-OE2 3.07Å; T131-E135 WeakPolarHBondContact CB-OE1 3.41Å; T131-E135 VanDerWaalsContact CG2-OE1 3.25Å; T131-E135 WeakPolarHBondContact CG2-OE1 3.34Å; T131-E135 PolarHBondContact OG1-OE1 2.03Å
136	T	97	Very high	95.1	Very high	83 Å²	83	59.2 Å²	59.2	51%	0.509	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	141.6	175.6	55	0	0	0	0	111.3	T123 K124 Y125	T123-T136 HydrophobicContact CG2-CG2 4.02Å; K124-T136 CarbonylContact O-C 3.51Å; K124-T136 WeakPolarHBondContact O-CA 3.36Å; Y125-T136 HydrophobicContact CD1-CG2 4Å; Y125-T136 HydrophobicContact CE1-CG2 3.55Å; Y125-T136 HydrophobicContact CE2-CG2 4.34Å
137	F	97.5	Very high	95.1	Very high	25 Å²	25	57.4 Å²	57.4	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	165.4	168.1	81.4	-68.3	0	0	0	110.9	A113 K124 Y126 N148	A113-F137 HydrophobicContact CB-CB 4.17Å; A113-F137 HydrophobicContact CB-CD1 4.49Å; A113-F137 HydrophobicContact CB-CD2 3.83Å; A113-F137 HydrophobicContact CB-CE2 4.33Å; A113-F137 HydrophobicContact CB-CG 3.91Å; K124-F137 HydrophobicContact CB-CD1 4.09Å; K124-F137 HydrophobicContact CB-CE1 3.57Å; K124-F137 HydrophobicContact CB-CZ 4.16Å; K124-F137 PolarHBondContact N-O 2.56Å; K124-F137 WeakPolarHBondContact O-CD1 3.16Å; K124-F137 PolarHBondContact O-N 3.09Å; Y126-F137 HydrophobicContact CD1-CB 3.79Å; Y126-F137 AromaticContact CD1-CD1 3.74Å; Y126-F137 HydrophobicContact CD1-CD1 3.74Å; Y126-F137 HydrophobicContact CD1-CG 4.03Å; Y126-F137 HydrophobicContact CE1-CB 4.08Å; Y126-F137 HydrophobicContact CG-CD1 4.08Å; F137-N148 HydrophobicContact CE1-CB 4.48Å; F137-N148 HydrophobicContact CZ-CB 4.15Å
138	V	97	Very high	95.1	Very high	67 Å²	67	58.4 Å²	58.4	41%	0.406	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.3	175.7	-179.2	0	0	0	0	109.5	K115 A121 F122	K115-V138 WeakPolarHBondContact CB-O 3.48Å; K115-V138 WeakPolarHBondContact CG-O 3.37Å; A121-V138 HydrophobicContact CB-CG1 4.05Å; F122-V138 WeakPolarHBondContact O-CA 3.3Å
139	Y	96.8	Very high	95.2	Very high	40 Å²	40	57.9 Å²	57.9	16%	0.157	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.1	171.2	178.9	-130.8	0	0	0	110.8	K115 F122 K124 G141 C142 G144 N148	K115-Y139 WeakPolarHBondContact O-CD2 3.2Å; F122-Y139 HydrophobicContact CD2-CD1 4.41Å; F122-Y139 PolarHBondContact N-O 3.45Å; F122-Y139 PolarHBondContact O-N 3.29Å; K124-Y139 HydrophobicContact CG-CD1 4.44Å; Y139-G141 PolarHBondContact O-N 2.91Å; Y139-C142 VanDerWaalsContact OH-C 3.24Å; Y139-C142 WeakPolarHBondContact OH-CA 2.97Å; Y139-C142 PolarHBondContact OH-N 3.31Å; Y139-G144 PolarHBondContact OH-N 2.78Å; Y139-N148 WeakPolarHBondContact CD1-ND2 3.38Å; Y139-N148 WeakPolarHBondContact CD2-ND2 3.35Å; Y139-N148 VanDerWaalsContact CG-ND2 3.34Å
140	G	96.3	Very high	95.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.306	C	S	.	.			trans	-69.8	-10.2	-177.6	0	0	0	0	0	114.4	K115 C118 R119 A120	K115-G140 VanDerWaalsContact O-CA 3.22Å; K115-G140 WeakPolarHBondContact O-CA 3.38Å; K115-G140 PolarHBondContact O-N 2.84Å; C118-G140 CarbonylContact C-O 3.42Å; C118-G140 WeakPolarHBondContact CB-O 3.45Å; C118-G140 WeakPolarHBondContact O-CA 3.49Å; R119-G140 PolarHBondContact N-O 3.24Å; A120-G140 VanDerWaalsContact CB-O 3.26Å; A120-G140 WeakPolarHBondContact CB-O 3.29Å; A120-G140 PolarHBondContact N-O 3.18Å; A120-G140 WeakPolarHBondContact O-CA 3.5Å
141	G	94.7	Very high	95.5	Very high	33 Å²	33	54 Å²	54	34%	0.34	29%	0.291	S	S	.	.	S	Bend	trans	96.4	-5.2	178.6	0	0	0	0	0	115	Y139	Y139-G141 PolarHBondContact O-N 2.91Å
142	C	96.3	Very high	95.6	Very high	30 Å²	30	55.5 Å²	55.5	20%	0.203	29%	0.293	C	S	.	.	S	Bend	trans	-152.6	159.3	174.1	76.2	0	0	0	0	112.7	G116 C118 Y139 G144	G116-C142 WeakPolarHBondContact CA-O 3.29Å; C118-C142 HydrophobicContact CB-CB 3.84Å; C118-C142 WeakPolarHBondContact CB-SG 3.19Å; C118-C142 PolarHBondContact N-SG 3.3Å; C118-C142 WeakPolarHBondContact SG-CB 2.89Å; C118-C142 CovalentContact SG-SG 2.01Å; C118-C142 PolarHBondContact SG-SG 3.32Å; Y139-C142 VanDerWaalsContact OH-C 3.24Å; Y139-C142 WeakPolarHBondContact OH-CA 2.97Å; Y139-C142 PolarHBondContact OH-N 3.31Å; C142-G144 PolarHBondContact O-N 2.8Å
143	R	93.8	Very high	95.5	Very high	197 Å²	197	56.7 Å²	56.7	74%	0.743	30%	0.303	S	S	*	.	S	Bend	trans	48.2	41.4	175.8	-52.1	-172.1	178.7	176.7	-4.2	113.9	K114 P117	K114-R143 VanDerWaalsContact CE-O 3.31Å; K114-R143 WeakPolarHBondContact CE-O 3.35Å; P117-R143 HydrophobicContact CG-CB 4.38Å; P117-R143 HydrophobicContact CG-CG 4.38Å
144	G	93.1	Very high	95.5	Very high	26 Å²	26	55.5 Å²	55.5	27%	0.268	30%	0.297	S	S	.	.			trans	-73.2	-168.2	164.8	0	0	0	0	0	111.3	Y139 C142	Y139-G144 PolarHBondContact OH-N 2.78Å; C142-G144 PolarHBondContact O-N 2.8Å
145	N	95.8	Very high	95.5	Very high	39 Å²	39	55.1 Å²	55.1	21%	0.209	30%	0.295	C	S	.	.			trans	-124.3	-176.5	167.9	64	22.1	0	0	0	109.5	L111 P112 K114 N147 N148	L111-N145 HydrophobicContact CD1-CB 4.1Å; P112-N145 PolarHBondContact O-ND2 2.82Å; P112-N145 PolarHBondContact O-OD1 2.61Å; K114-N145 HydrophobicContact CB-CB 4.4Å; K114-N145 HydrophobicContact CD-CB 4.34Å; N145-N147 PolarHBondContact O-N 3.5Å; N145-N147 PolarHBondContact OD1-N 2.84Å; N145-N147 VanDerWaalsContact OD1-N 3.13Å; N145-N148 WeakPolarHBondContact O-CB 3.3Å
146	A	96.7	Very high	95.4	Very high	56 Å²	56	55.7 Å²	55.7	46%	0.463	30%	0.298	S	S	.	.	S	Bend	trans	-69.4	-12.5	-175.4	0	0	0	0	0	114.5	P108 L111 N148	P108-A146 HydrophobicContact CB-CB 4.16Å; P108-A146 HydrophobicContact CG-CB 3.94Å; L111-A146 HydrophobicContact CD1-CB 3.99Å; A146-N148 PolarHBondContact O-N 3.34Å
147	N	97.6	Very high	95.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.306	C	S	.	.			trans	-81.3	63.6	173.6	-162.1	-0.7	0	0	0	111	P108 L111 Y126 Y127 N145 F149	P108-N147 WeakPolarHBondContact O-CB 3.33Å; P108-N147 VanDerWaalsContact O-CG 3.29Å; P108-N147 PolarHBondContact O-ND2 3.4Å; L111-N147 HydrophobicContact CB-CB 4.01Å; L111-N147 PolarHBondContact O-ND2 3.25Å; Y126-N147 VanDerWaalsContact CA-OD1 3.29Å; Y126-N147 WeakPolarHBondContact CA-OD1 2.97Å; Y126-N147 WeakPolarHBondContact CB-O 3.4Å; Y126-N147 WeakPolarHBondContact CB-OD1 3.45Å; Y127-N147 PolarHBondContact N-OD1 2.87Å; Y127-N147 PolarHBondContact O-ND2 2.73Å; N145-N147 PolarHBondContact O-N 3.5Å; N145-N147 PolarHBondContact OD1-N 2.84Å; N145-N147 VanDerWaalsContact OD1-N 3.13Å; N147-F149 WeakPolarHBondContact OD1-CE2 3.47Å
148	N	97.1	Very high	95	Very high	37 Å²	37	58.6 Å²	58.6	20%	0.198	32%	0.321	C	S	.	.			trans	-153.4	99.8	-172	-173.4	-14.1	0	0	0	109.1	K124 F137 Y139 N145 A146	K124-N148 VanDerWaalsContact CB-OD1 3.26Å; K124-N148 WeakPolarHBondContact CB-OD1 3.29Å; K124-N148 WeakPolarHBondContact CG-OD1 3.5Å; F137-N148 HydrophobicContact CE1-CB 4.48Å; F137-N148 HydrophobicContact CZ-CB 4.15Å; Y139-N148 WeakPolarHBondContact CD1-ND2 3.38Å; Y139-N148 WeakPolarHBondContact CD2-ND2 3.35Å; Y139-N148 VanDerWaalsContact CG-ND2 3.34Å; N145-N148 WeakPolarHBondContact O-CB 3.3Å; A146-N148 PolarHBondContact O-N 3.34Å
149	F	97.2	Very high	94.9	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.039	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-114.7	146.4	-173.7	-53.8	-77.6	0	0	0	110.4	P108 Y125 N147 E154 C155 T158	P108-F149 HydrophobicContact CB-CZ 4.05Å; Y125-F149 PolarHBondContact N-O 2.85Å; Y125-F149 PolarHBondContact O-N 3.5Å; N147-F149 WeakPolarHBondContact OD1-CE2 3.47Å; F149-E154 HydrophobicContact CB-CB 4.28Å; F149-E154 HydrophobicContact CB-CG 4.29Å; F149-E154 HydrophobicContact CD1-CG 3.84Å; F149-E154 HydrophobicContact CG-CG 4.49Å; F149-C155 HydrophobicContact CB-CB 3.87Å; F149-C155 HydrophobicContact CD2-CB 3.35Å; F149-C155 HydrophobicContact CE2-CB 3.97Å; F149-C155 HydrophobicContact CG-CB 3.67Å; F149-T158 HydrophobicContact CE1-CG2 3.77Å; F149-T158 HydrophobicContact CZ-CG2 3.86Å
150	E	95.5	Very high	94.6	Very high	114 Å²	114	58 Å²	58	53%	0.533	32%	0.324	S	S	.	.	S	Bend	trans	-70.9	-41.8	178.8	-167.2	66.7	-123.1	0	0	110.9	K124 E154	K124-E150 IonicContact NZ-OE1 3.72Å; K124-E150 PolarHBondContact NZ-OE1 3.49Å; K124-E150 IonicContact NZ-OE2 2.7Å; K124-E150 PolarHBondContact NZ-OE2 3.3Å; E150-E154 PolarHBondContact N-OE2 2.84Å
151	T	93.6	Very high	93.9	Very high	68 Å²	68	59.6 Å²	59.6	42%	0.417	33%	0.334	S	S	.	.	S	Bend	trans	-124.1	155.7	-173.6	68.7	0	0	0	0	111.7	Y125 D153 E154 C155	Y125-T151 VanDerWaalsContact CD2-C 3.4Å; T151-D153 VanDerWaalsContact C-N 3.25Å; T151-D153 PolarHBondContact O-N 3.19Å; T151-E154 PolarHBondContact O-N 2.01Å; T151-E154 WeakPolarHBondContact OG1-CB 3.41Å; T151-E154 PolarHBondContact OG1-N 2.61Å; T151-C155 PolarHBondContact O-N 2.04Å
152	K	93.7	Very high	92.8	Very high	89 Å²	89	63.8 Å²	63.8	39%	0.387	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-40.8	174.3	-161.9	174.2	-171.1	-105	0	111.3	Y125 C134 E154 C155 E156	Y125-K152 HydrophobicContact CD1-CB 3.81Å; Y125-K152 HydrophobicContact CD1-CG 3.91Å; Y125-K152 VanDerWaalsContact CD2-N 3.33Å; Y125-K152 HydrophobicContact CE1-CB 3.5Å; Y125-K152 HydrophobicContact CE1-CD 4.01Å; Y125-K152 HydrophobicContact CE1-CG 3.72Å; Y125-K152 HydrophobicContact CE2-CB 4.27Å; Y125-K152 HydrophobicContact CG-CB 4.3Å; C134-K152 HydrophobicContact CB-CG 4.14Å; K152-E154 PolarHBondContact O-N 3.29Å; K152-C155 WeakPolarHBondContact O-CB 2.97Å; K152-C155 PolarHBondContact O-N 3.41Å; K152-E156 VanDerWaalsContact CE-OE1 3.29Å; K152-E156 WeakPolarHBondContact CE-OE1 3.39Å; K152-E156 HydrophobicContact CG-CG 4.29Å; K152-E156 IonicContact NZ-OE1 2.83Å; K152-E156 PolarHBondContact NZ-OE1 3.11Å; K152-E156 WeakPolarHBondContact O-CB 3.22Å; K152-E156 VanDerWaalsContact O-CG 3.29Å; K152-E156 WeakPolarHBondContact O-CG 3.04Å; K152-E156 PolarHBondContact O-N 3Å
153	D	89.4	Confident	91.3	Very high	106 Å²	106	71 Å²	71	57%	0.567	37%	0.372	S	S	*	.	H	α-helix	trans	-65.3	-38.5	-178.9	-68.6	-17.1	0	0	0	112.1	T151 E156 S157	T151-D153 VanDerWaalsContact C-N 3.25Å; T151-D153 PolarHBondContact O-N 3.19Å; D153-E156 PolarHBondContact O-N 3.25Å; D153-S157 WeakPolarHBondContact O-CB 3.43Å; D153-S157 PolarHBondContact O-N 3.02Å; D153-S157 PolarHBondContact O-OG 2.85Å
154	E	94.4	Very high	89.7	Confident	80 Å²	80	64.4 Å²	64.4	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-45.1	173.9	-173.1	-169.2	174.8	0	0	111.1	F149 E150 T151 K152 S157 T158	F149-E154 HydrophobicContact CB-CB 4.28Å; F149-E154 HydrophobicContact CB-CG 4.29Å; F149-E154 HydrophobicContact CD1-CG 3.84Å; F149-E154 HydrophobicContact CG-CG 4.49Å; E150-E154 PolarHBondContact N-OE2 2.84Å; T151-E154 PolarHBondContact O-N 2.01Å; T151-E154 WeakPolarHBondContact OG1-CB 3.41Å; T151-E154 PolarHBondContact OG1-N 2.61Å; K152-E154 PolarHBondContact O-N 3.29Å; E154-S157 WeakPolarHBondContact CA-OG 3.42Å; E154-S157 PolarHBondContact O-N 3.4Å; E154-S157 PolarHBondContact O-OG 2.86Å; E154-T158 WeakPolarHBondContact O-CB 3.45Å; E154-T158 PolarHBondContact O-N 3.41Å; E154-T158 PolarHBondContact O-OG1 2.83Å
155	C	95.8	Very high	87.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-62.1	-47.2	174.5	177.5	0	0	0	0	111.9	C134 F149 T151 K152 S157 T158 C159	C134-C155 HydrophobicContact CB-CB 3.67Å; C134-C155 WeakPolarHBondContact CB-SG 3.23Å; C134-C155 WeakPolarHBondContact SG-CB 3.34Å; C134-C155 CovalentContact SG-SG 2.03Å; C134-C155 PolarHBondContact SG-SG 3.34Å; F149-C155 HydrophobicContact CB-CB 3.87Å; F149-C155 HydrophobicContact CD2-CB 3.35Å; F149-C155 HydrophobicContact CE2-CB 3.97Å; F149-C155 HydrophobicContact CG-CB 3.67Å; T151-C155 PolarHBondContact O-N 2.04Å; K152-C155 WeakPolarHBondContact O-CB 2.97Å; K152-C155 PolarHBondContact O-N 3.41Å; C155-S157 VanDerWaalsContact C-N 3.3Å; C155-S157 PolarHBondContact O-N 3.46Å; C155-T158 PolarHBondContact O-N 3.21Å; C155-C159 WeakPolarHBondContact O-CB 3.32Å; C155-C159 PolarHBondContact O-N 3.01Å
156	E	94.1	Very high	85.9	Confident	71 Å²	71	70.2 Å²	70.2	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-69.7	-25.4	-178	-73.1	-176.1	179.7	0	0	113.2	C134 K152 D153 V161	C134-E156 HydrophobicContact CB-CG 4Å; C134-E156 PolarHBondContact SG-N 3.39Å; K152-E156 VanDerWaalsContact CE-OE1 3.29Å; K152-E156 WeakPolarHBondContact CE-OE1 3.39Å; K152-E156 HydrophobicContact CG-CG 4.29Å; K152-E156 IonicContact NZ-OE1 2.83Å; K152-E156 PolarHBondContact NZ-OE1 3.11Å; K152-E156 WeakPolarHBondContact O-CB 3.22Å; K152-E156 VanDerWaalsContact O-CG 3.29Å; K152-E156 WeakPolarHBondContact O-CG 3.04Å; K152-E156 PolarHBondContact O-N 3Å; D153-E156 PolarHBondContact O-N 3.25Å; E156-V161 HydrophobicContact CB-CG2 4.39Å; E156-V161 HydrophobicContact CG-CB 4.42Å; E156-V161 HydrophobicContact CG-CG2 3.93Å
157	S	92.1	Very high	83.7	Confident	98 Å²	98	76.4 Å²	76.4	69%	0.685	41%	0.413	S	S	*	.	H	α-helix	trans	-84.6	-23.9	174.3	57.9	0	0	0	0	113.1	D153 E154 C155	D153-S157 WeakPolarHBondContact O-CB 3.43Å; D153-S157 PolarHBondContact O-N 3.02Å; D153-S157 PolarHBondContact O-OG 2.85Å; E154-S157 WeakPolarHBondContact CA-OG 3.42Å; E154-S157 PolarHBondContact O-N 3.4Å; E154-S157 PolarHBondContact O-OG 2.86Å; C155-S157 VanDerWaalsContact C-N 3.3Å; C155-S157 PolarHBondContact O-N 3.46Å
158	T	94.1	Very high	81.5	Confident	70 Å²	70	82.7 Å²	82.7	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-87.4	-38.5	176.6	-55.2	0	0	0	0	112.1	F149 E154 C155	F149-T158 HydrophobicContact CE1-CG2 3.77Å; F149-T158 HydrophobicContact CZ-CG2 3.86Å; E154-T158 WeakPolarHBondContact O-CB 3.45Å; E154-T158 PolarHBondContact O-N 3.41Å; E154-T158 PolarHBondContact O-OG1 2.83Å; C155-T158 PolarHBondContact O-N 3.21Å
159	C	95.7	Very high	79.4	Confident	6 Å²	6	84.6 Å²	84.6	4%	0.041	46%	0.457	C	S	.	.	S	Bend	trans	-114	151.7	-170.2	-66.7	0	0	0	0	114.2	C109 Y127 C155 V161	C109-C159 WeakPolarHBondContact CA-SG 3.5Å; C109-C159 HydrophobicContact CB-CB 3.75Å; C109-C159 WeakPolarHBondContact CB-SG 3.47Å; C109-C159 WeakPolarHBondContact SG-CA 3.3Å; C109-C159 WeakPolarHBondContact SG-CB 3.13Å; C109-C159 CovalentContact SG-SG 2.04Å; C109-C159 PolarHBondContact SG-SG 2.78Å; Y127-C159 VanDerWaalsContact CB-SG 3.55Å; Y127-C159 HydrophobicContact CD1-CB 4.14Å; Y127-C159 HydrophobicContact CD2-CB 3.35Å; Y127-C159 HydrophobicContact CE2-CB 3.98Å; Y127-C159 HydrophobicContact CG-CB 3.44Å; Y127-C159 VanDerWaalsContact CG-CB 3.44Å; C155-C159 WeakPolarHBondContact O-CB 3.32Å; C155-C159 PolarHBondContact O-N 3.01Å; C159-V161 VanDerWaalsContact C-N 3.3Å; C159-V161 PolarHBondContact O-N 2.82Å
160	P	89.4	Confident	77.4	Confident	89 Å²	89	88.7 Å²	88.7	58%	0.578	48%	0.484	S	S	*	.			trans	-76.3	79.9	-174.5	32	-35.2	0	0	0	111	Y127 E162	Y127-P160 WeakPolarHBondContact CE2-O 3.15Å; Y127-P160 PolarHBondContact OH-O 2.74Å; P160-E162 PolarHBondContact O-N 2.92Å
161	V	82.8	Confident	75.5	Confident	33 Å²	33	90.4 Å²	90.4	20%	0.2	50%	0.496	C	S	.	.			trans	-74.7	123.2	174	176.1	0	0	0	0	109.4	Y127 K132 E156 C159 K163	Y127-V161 HydrophobicContact CD2-CG2 3.96Å; Y127-V161 HydrophobicContact CE2-CG2 3.9Å; K132-V161 WeakPolarHBondContact O-CA 3.28Å; E156-V161 HydrophobicContact CB-CG2 4.39Å; E156-V161 HydrophobicContact CG-CB 4.42Å; E156-V161 HydrophobicContact CG-CG2 3.93Å; C159-V161 VanDerWaalsContact C-N 3.3Å; C159-V161 PolarHBondContact O-N 2.82Å; V161-K163 VanDerWaalsContact C-N 3.34Å; V161-K163 PolarHBondContact O-N 3.43Å
162	E	71.6	Confident	73.7	Confident	121 Å²	121	93 Å²	93	57%	0.565	51%	0.507	S	S	*	.			trans	-67.2	101.1	167.2	-79.4	-174	178.3	0	0	106.6	K132 P160 A164	K132-E162 HydrophobicContact CB-CB 4.28Å; K132-E162 HydrophobicContact CB-CG 4.29Å; K132-E162 HydrophobicContact CD-CB 4.46Å; K132-E162 HydrophobicContact CD-CG 3.71Å; K132-E162 VanDerWaalsContact CD-OE1 3.3Å; K132-E162 WeakPolarHBondContact CD-OE1 3.45Å; K132-E162 WeakPolarHBondContact CD-OE2 3.43Å; K132-E162 IonicContact NZ-OE1 3.22Å; K132-E162 PolarHBondContact NZ-OE1 3.34Å; K132-E162 IonicContact NZ-OE2 3.66Å; K132-E162 PolarHBondContact O-N 2.83Å; P160-E162 PolarHBondContact O-N 2.92Å; E162-A164 PolarHBondContact O-N 2.87Å
163	K	64.4	Low	72.2	Confident	182 Å²	182	91.1 Å²	91.1	79%	0.791	50%	0.503	S	S	*	.			trans	-55.1	111	169.6	-67.4	-173.1	-179.7	-174.6	0	105.6	V161	V161-K163 VanDerWaalsContact C-N 3.34Å; V161-K163 PolarHBondContact O-N 3.43Å
164	A	59.8	Low	70.8	Confident	59 Å²	59	87 Å²	87	49%	0.488	49%	0.485	S	S	.	.			trans	-43.1	140	169.5	0	0	0	0	0	107.1	E162 V166	E162-A164 PolarHBondContact O-N 2.87Å; A164-V166 VanDerWaalsContact C-N 3.26Å; A164-V166 PolarHBondContact O-N 3.15Å
165	P	54.2	Low	69.3	Low	124 Å²	124	83.7 Å²	83.7	81%	0.805	47%	0.471	S	S	*	.			trans	-47.9	103.1	176.1	-22.9	30.9	0	0	0	106.7	E167	P165-E167 PolarHBondContact O-N 2.67Å
166	V	54.8	Low	68	Low	63 Å²	63	88.3 Å²	88.3	38%	0.382	50%	0.501	S	S	.	.			trans	-66	107.9	168.2	-166	0	0	0	0	99.1	A164 E168 Y291	A164-V166 VanDerWaalsContact C-N 3.26Å; A164-V166 PolarHBondContact O-N 3.15Å; V166-E168 PolarHBondContact O-N 2.91Å; V166-Y291 HydrophobicContact CB-CE1 4.2Å; V166-Y291 HydrophobicContact CG1-CD1 3.71Å; V166-Y291 HydrophobicContact CG1-CE1 3.47Å; V166-Y291 VanDerWaalsContact CG1-CE1 3.47Å; V166-Y291 HydrophobicContact CG2-CE1 3.97Å
167	E	51.2	Low	66.5	Low	185 Å²	185	91 Å²	91	86%	0.864	53%	0.527	S	S	*	.			trans	-57	93.3	158.4	-72.8	-164.4	166.1	0	0	103.2	P165 P169	P165-E167 PolarHBondContact O-N 2.67Å; E167-P169 WeakPolarHBondContact O-CD 3.22Å
168	E	51	Low	65.6	Low	133 Å²	133	89.5 Å²	89.5	62%	0.621	53%	0.527	S	S	*	.			trans	-54	121.9	179.9	-70.3	-167.3	159.7	0	0	104	V166 P170	V166-E168 PolarHBondContact O-N 2.91Å; E168-P170 VanDerWaalsContact O-N 3.12Å
169	P	53.6	Low	65.3	Low	77 Å²	77	87.5 Å²	87.5	50%	0.5	51%	0.514	S	S	.	.			trans	-52.2	131.7	173.3	22.4	-31.4	0	0	0	105.5	E167 I171 V173	E167-P169 WeakPolarHBondContact O-CD 3.22Å; P169-I171 PolarHBondContact O-N 2.65Å; P169-V173 HydrophobicContact CB-CG2 4.42Å
170	P	55.1	Low	65.2	Low	94 Å²	94	89.3 Å²	89.3	61%	0.61	53%	0.525	S	S	*	.			trans	-44	125.2	-167.5	-15.8	9	0	0	0	109.2	E168 D172 V173	E168-P170 VanDerWaalsContact O-N 3.12Å; P170-D172 CarbonylContact O-C 3.53Å; P170-D172 PolarHBondContact O-N 2.93Å; P170-V173 HydrophobicContact CB-CG2 4.09Å; P170-V173 HydrophobicContact CG-CG2 3.95Å; P170-V173 WeakPolarHBondContact O-CG2 3.31Å; P170-V173 PolarHBondContact O-N 2.73Å
171	I	54.8	Low	65.4	Low	151 Å²	151	85.1 Å²	85.1	77%	0.774	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-8.6	-171.7	-35.3	176.9	0	0	0	111.4	P169	P169-I171 PolarHBondContact O-N 2.65Å
172	D	56	Low	65.8	Low	122 Å²	122	85.5 Å²	85.5	65%	0.652	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	57.1	166.9	-169.3	24.7	0	0	0	113.5	P170 G174 K204	P170-D172 CarbonylContact O-C 3.53Å; P170-D172 PolarHBondContact O-N 2.93Å; D172-G174 PolarHBondContact O-N 3.09Å; D172-K204 IonicContact OD1-NZ 2.56Å; D172-K204 PolarHBondContact OD1-NZ 3.27Å
173	V	62	Low	66.8	Low	49 Å²	49	82.9 Å²	82.9	30%	0.297	49%	0.49	S	S	.	.			trans	-73.5	75.6	162.7	-165.2	0	0	0	0	108.6	P169 P170 P236	P169-V173 HydrophobicContact CB-CG2 4.42Å; P170-V173 HydrophobicContact CB-CG2 4.09Å; P170-V173 HydrophobicContact CG-CG2 3.95Å; P170-V173 WeakPolarHBondContact O-CG2 3.31Å; P170-V173 PolarHBondContact O-N 2.73Å; V173-P236 HydrophobicContact CB-CG 4.03Å; V173-P236 HydrophobicContact CG1-CG 3.74Å
174	G	59.8	Low	68.3	Low	19 Å²	19	78.8 Å²	78.8	20%	0.196	48%	0.483	C	S	.	.			trans	-69.7	175	158.7	0	0	0	0	0	111.3	D172	D172-G174 PolarHBondContact O-N 3.09Å
175	P	64.2	Low	70	Confident	11 Å²	11	81.7 Å²	81.7	7%	0.071	48%	0.484	C	S	.	.	S	Bend	trans	-51	150.6	163.2	-17.9	30.6	0	0	0	109.8	D179 C181 S182 F199 L235	P175-D179 HydrophobicContact CB-CB 3.99Å; P175-C181 HydrophobicContact CB-CB 4.01Å; P175-C181 HydrophobicContact CG-CB 3.61Å; P175-S182 PolarHBondContact O-OG 2.7Å; P175-F199 HydrophobicContact CG-CE1 4.04Å; P175-L235 HydrophobicContact CG-CD2 4.23Å
176	P	67.6	Low	72.1	Confident	98 Å²	98	78.5 Å²	78.5	64%	0.636	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-51.4	146.8	-178	16.1	-27.2	0	0	0	111.8	G178 D179 S182	P176-G178 PolarHBondContact O-N 3.32Å; P176-D179 HydrophobicContact CG-CB 4.26Å; P176-D179 VanDerWaalsContact O-CB 3.25Å; P176-D179 WeakPolarHBondContact O-CB 3.09Å; P176-D179 PolarHBondContact O-N 3.46Å; P176-S182 PolarHBondContact O-OG 3.22Å; P176-S182 VanDerWaalsContact O-OG 3.05Å
177	S	63.1	Low	74.1	Confident	126 Å²	126	78.6 Å²	78.6	88%	0.881	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	128.1	176.8	49.8	0	0	0	0	109.7
178	G	72.1	Confident	76.2	Confident	67 Å²	67	71 Å²	71	69%	0.691	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-7.1	-173.4	0	0	0	0	0	115.3	P176	P176-G178 PolarHBondContact O-N 3.32Å
179	D	87.8	Confident	78.5	Confident	29 Å²	29	68.3 Å²	68.3	16%	0.155	43%	0.427	C	S	.	.	S	Bend	trans	-65.2	149.5	169.3	-169.4	59	0	0	0	111	P175 P176 C181 S182 R230	P175-D179 HydrophobicContact CB-CB 3.99Å; P176-D179 HydrophobicContact CG-CB 4.26Å; P176-D179 VanDerWaalsContact O-CB 3.25Å; P176-D179 WeakPolarHBondContact O-CB 3.09Å; P176-D179 PolarHBondContact O-N 3.46Å; D179-C181 PolarHBondContact O-N 2.86Å; D179-C181 VanDerWaalsContact O-N 3.15Å; D179-C181 WeakPolarHBondContact OD2-CB 3.31Å; D179-C181 PolarHBondContact OD2-N 3.21Å; D179-C181 PolarHBondContact OD2-SG 2.94Å; D179-S182 WeakPolarHBondContact O-CB 3.38Å; D179-S182 PolarHBondContact O-N 2.75Å; D179-R230 IonicContact OD1-CZ 2.8Å; D179-R230 IonicContact OD1-NH1 2.76Å; D179-R230 PolarHBondContact OD1-NH1 3.06Å; D179-R230 IonicContact OD1-NH2 2.65Å; D179-R230 PolarHBondContact OD1-NH2 3.45Å; D179-R230 IonicContact OD2-CZ 2.54Å; D179-R230 IonicContact OD2-NH1 2.61Å; D179-R230 PolarHBondContact OD2-NH1 3.46Å; D179-R230 IonicContact OD2-NH2 3.67Å
180	V	93.2	Very high	80.6	Confident	44 Å²	44	67.4 Å²	67.4	27%	0.267	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-51.5	-39.1	175	169.8	0	0	0	0	111.1	S182 M183 G218 N219 F221	V180-S182 PolarHBondContact O-N 3.44Å; V180-M183 PolarHBondContact O-N 3.42Å; V180-G218 WeakPolarHBondContact CG1-O 3.35Å; V180-N219 VanDerWaalsContact O-CB 3.31Å; V180-N219 WeakPolarHBondContact O-CB 3.32Å; V180-F221 HydrophobicContact CG1-CZ 4.23Å
181	C	93.6	Very high	82.5	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-71.6	-16.4	-179.1	-57	0	0	0	0	113.3	P175 D179 F199 T201 R230 C231	P175-C181 HydrophobicContact CB-CB 4.01Å; P175-C181 HydrophobicContact CG-CB 3.61Å; D179-C181 PolarHBondContact O-N 2.86Å; D179-C181 VanDerWaalsContact O-N 3.15Å; D179-C181 WeakPolarHBondContact OD2-CB 3.31Å; D179-C181 PolarHBondContact OD2-N 3.21Å; D179-C181 PolarHBondContact OD2-SG 2.94Å; C181-F199 HydrophobicContact CB-CD1 4.05Å; C181-F199 HydrophobicContact CB-CG 4.47Å; C181-F199 VanDerWaalsContact O-CD1 3.29Å; C181-F199 WeakPolarHBondContact O-CD1 3.41Å; C181-T201 WeakPolarHBondContact O-CG2 3.48Å; C181-R230 PolarHBondContact SG-NH1 3.04Å; C181-R230 VanDerWaalsContact SG-NH1 3.42Å; C181-C231 HydrophobicContact CB-CB 3.57Å; C181-C231 WeakPolarHBondContact CB-SG 2.9Å; C181-C231 WeakPolarHBondContact SG-CA 3.49Å; C181-C231 WeakPolarHBondContact SG-CB 3.43Å; C181-C231 CovalentContact SG-SG 2.02Å; C181-C231 PolarHBondContact SG-SG 3.48Å
182	S	91.9	Very high	84.5	Confident	41 Å²	41	67.8 Å²	67.8	29%	0.287	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-87.3	-9.7	178.8	-59.1	0	0	0	0	113	P175 P176 D179 V180	P175-S182 PolarHBondContact O-OG 2.7Å; P176-S182 PolarHBondContact O-OG 3.22Å; P176-S182 VanDerWaalsContact O-OG 3.05Å; D179-S182 WeakPolarHBondContact O-CB 3.38Å; D179-S182 PolarHBondContact O-N 2.75Å; V180-S182 PolarHBondContact O-N 3.44Å
183	M	93.6	Very high	86.4	Confident	66 Å²	66	66.7 Å²	66.7	33%	0.325	42%	0.419	S	S	.	.	S	Bend	trans	-77	151	-179.6	-58.6	179.1	180	0	0	111.7	V180 N217 N219	V180-M183 PolarHBondContact O-N 3.42Å; M183-N217 HydrophobicContact CB-CB 4.47Å; M183-N217 HydrophobicContact SD-CB 3.78Å; M183-N219 HydrophobicContact CB-CB 4.09Å; M183-N219 PolarHBondContact O-ND2 2.95Å
184	P	94.8	Very high	88	Confident	97 Å²	97	68.5 Å²	68.5	63%	0.63	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-69.6	164.2	174.9	30	-35.6	0	0	0	111.6	D186 N217	P184-D186 PolarHBondContact O-N 3.07Å; P184-N217 PolarHBondContact O-ND2 3.17Å; P184-N217 PolarHBondContact O-OD1 3.27Å
185	K	95.6	Very high	89.8	Confident	119 Å²	119	76.2 Å²	76.2	52%	0.517	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-62.2	136.4	163.7	63.9	-175.1	178.7	179.6	0	109.9	F198 F209	K185-F198 HydrophobicContact CB-CB 4.25Å; K185-F198 HydrophobicContact CB-CD1 3.97Å; K185-F198 HydrophobicContact CB-CD2 3.69Å; K185-F198 HydrophobicContact CB-CE1 4.25Å; K185-F198 HydrophobicContact CB-CE2 3.98Å; K185-F198 HydrophobicContact CB-CG 3.69Å; K185-F198 HydrophobicContact CB-CZ 4.26Å; K185-F198 HydrophobicContact CD-CD1 4.37Å; K185-F198 HydrophobicContact CD-CE1 3.85Å; K185-F198 HydrophobicContact CD-CE2 4.16Å; K185-F198 HydrophobicContact CD-CZ 3.74Å; K185-F198 HydrophobicContact CG-CE2 4.32Å; K185-F198 HydrophobicContact CG-CZ 4.39Å; K185-F209 HydrophobicContact CB-CB 4.44Å; K185-F209 HydrophobicContact CB-CD1 4.49Å; K185-F209 HydrophobicContact CB-CD2 4.14Å; K185-F209 HydrophobicContact CB-CG 4.12Å; K185-F209 HydrophobicContact CD-CB 4.13Å
186	D	97.4	Very high	91.3	Very high	58 Å²	58	77.8 Å²	77.8	31%	0.31	45%	0.453	S	S	.	.			trans	-133.1	104.2	-178.3	-169.7	-14.7	0	0	0	111.7	P184 G188 F209 G216 N217	P184-D186 PolarHBondContact O-N 3.07Å; D186-G188 VanDerWaalsContact C-N 3.25Å; D186-G188 PolarHBondContact O-N 3.08Å; D186-G188 PolarHBondContact OD1-N 3.18Å; D186-F209 WeakPolarHBondContact O-CE2 3.44Å; D186-G216 VanDerWaalsContact CG-CA 3.47Å; D186-G216 WeakPolarHBondContact OD2-CA 3.47Å; D186-N217 WeakPolarHBondContact CB-ND2 3.47Å
187	P	97.2	Very high	92.8	Very high	65 Å²	65	76 Å²	76	42%	0.422	43%	0.433	S	S	.	.			trans	-65	-22.1	176.5	-23.6	35.6	0	0	0	114.7	Y211 G212	P187-Y211 WeakPolarHBondContact O-CD2 3.14Å; P187-G212 VanDerWaalsContact O-CA 3.28Å; P187-G212 WeakPolarHBondContact O-CA 3.44Å; P187-G212 PolarHBondContact O-N 3.1Å
188	G	96.7	Very high	94.4	Very high	24 Å²	24	70.7 Å²	70.7	25%	0.247	39%	0.394	C	S	.	.			trans	67.4	177.5	-170.3	0	0	0	0	0	114.1	D186	D186-G188 VanDerWaalsContact C-N 3.25Å; D186-G188 PolarHBondContact O-N 3.08Å; D186-G188 PolarHBondContact OD1-N 3.18Å
189	P	97.5	Very high	95.4	Very high	78 Å²	78	67.5 Å²	67.5	51%	0.506	36%	0.362	S	S	.	.	S	Bend	trans	-85	-16.3	-174.1	32.6	-34.9	0	0	0	114.2	E215	P189-E215 VanDerWaalsContact CD-OE2 3.3Å; P189-E215 WeakPolarHBondContact CD-OE2 3.31Å; P189-E215 VanDerWaalsContact CG-CD 3.46Å; P189-E215 HydrophobicContact CG-CG 4.16Å; P189-E215 WeakPolarHBondContact CG-OE2 3.39Å
190	C	97.9	Very high	95.7	Very high	57 Å²	57	67 Å²	67	39%	0.385	36%	0.359	S	S	.	.			trans	-72.5	162.2	179.7	-72.5	0	0	0	0	112.7	G212 C214	C190-G212 CarbonylContact C-O 3.24Å; C190-G212 VanDerWaalsContact C-O 3.24Å; C190-G212 WeakPolarHBondContact CB-O 3.34Å; C190-G212 WeakPolarHBondContact O-CA 3.41Å; C190-C214 HydrophobicContact CB-CB 3.88Å; C190-C214 WeakPolarHBondContact CB-SG 3.21Å; C190-C214 PolarHBondContact N-SG 3.29Å; C190-C214 WeakPolarHBondContact SG-CB 3.4Å; C190-C214 CovalentContact SG-SG 2.01Å; C190-C214 PolarHBondContact SG-SG 2.02Å
191	K	96.5	Very high	95.4	Very high	208 Å²	208	67.2 Å²	67.2	90%	0.904	36%	0.36	S	S	*	.			trans	-113.7	13.8	-171.1	-61.1	-177	-179.6	178.4	0	114.5	G212	K191-G212 PolarHBondContact N-O 2.9Å
192	A	95.6	Very high	95.1	Very high	45 Å²	45	73.1 Å²	73.1	37%	0.372	40%	0.396	S	S	.	.			trans	-71.3	164.6	170.4	0	0	0	0	0	110.4	H194 G212	A192-H194 WeakPolarHBondContact CB-NE2 3.25Å; A192-G212 WeakPolarHBondContact CA-O 3.42Å; A192-G212 VanDerWaalsContact CB-O 3.23Å; A192-G212 WeakPolarHBondContact CB-O 3.31Å; A192-G212 PolarHBondContact N-O 3.01Å; A192-G212 WeakPolarHBondContact O-CA 3.42Å
193	S	96.2	Very high	94.8	Very high	99 Å²	99	76.2 Å²	76.2	69%	0.692	41%	0.405	S	S	*	.			trans	-119.5	89.6	-179.6	-172.2	0	0	0	0	110
194	H	95.1	Very high	94.5	Very high	87 Å²	87	74.2 Å²	74.2	40%	0.403	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.3	174.3	-58.2	-76.9	0	0	0	109.6	A192 K196 Y211	A192-H194 WeakPolarHBondContact CB-NE2 3.25Å; H194-K196 HydrophobicContact CB-CG 4.5Å; H194-K196 PolarHBondContact O-N 3.35Å; H194-Y211 HydrophobicContact CB-CD1 4.32Å; H194-Y211 PolarHBondContact N-O 2.96Å; H194-Y211 PolarHBondContact O-N 2.89Å
195	R	97.4	Very high	94.2	Very high	181 Å²	181	71.8 Å²	71.8	68%	0.683	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	119.8	171	-174.3	-178.6	-63.3	-86.2	0.5	108.7	T208	R195-T208 HydrophobicContact CG-CG2 4.22Å
196	K	97.5	Very high	94	Very high	45 Å²	45	66.6 Å²	66.6	20%	0.196	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	166.4	176.8	-62.9	-65.1	-176.3	-177.3	0	110	H194 T208 F209 Y211 R220 D222	H194-K196 HydrophobicContact CB-CG 4.5Å; H194-K196 PolarHBondContact O-N 3.35Å; K196-T208 CarbonylContact O-C 3.25Å; K196-T208 WeakPolarHBondContact O-CA 3.38Å; K196-F209 HydrophobicContact CB-CD1 4.11Å; K196-F209 HydrophobicContact CB-CE1 3.61Å; K196-F209 HydrophobicContact CB-CZ 4.14Å; K196-F209 PolarHBondContact N-O 3.15Å; K196-F209 PolarHBondContact O-N 3.17Å; K196-Y211 HydrophobicContact CG-CD1 4.41Å; K196-Y211 HydrophobicContact CG-CG 4.5Å; K196-R220 HydrophobicContact CB-CG 3.85Å; K196-R220 HydrophobicContact CD-CG 4.33Å; K196-R220 HydrophobicContact CG-CG 3.83Å; K196-D222 WeakPolarHBondContact CD-OD1 3.43Å; K196-D222 WeakPolarHBondContact CE-OD1 3.31Å; K196-D222 IonicContact NZ-OD1 4Å; K196-D222 PolarHBondContact NZ-OD1 3.26Å
197	W	97.2	Very high	93.9	Very high	60 Å²	60	69 Å²	69	23%	0.227	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	146.9	174	-67	83.9	0	0	0	110.6	C206 R207 T208 R220 F221 K224 C227	W197-C206 HydrophobicContact CE3-CB 4.14Å; W197-C206 WeakPolarHBondContact CZ3-O 3.34Å; W197-R207 CarbonylContact C-O 3.56Å; W197-R207 VanDerWaalsContact CA-O 3.31Å; W197-R207 WeakPolarHBondContact CA-O 3.25Å; W197-T208 HydrophobicContact CD2-CG2 3.68Å; W197-T208 VanDerWaalsContact CE2-CG2 3.48Å; W197-T208 HydrophobicContact CE3-CG2 3.9Å; W197-T208 HydrophobicContact CG-CG2 4.35Å; W197-T208 HydrophobicContact CH2-CG2 3.76Å; W197-T208 HydrophobicContact CZ2-CG2 3.53Å; W197-T208 HydrophobicContact CZ3-CG2 3.94Å; W197-R220 CarbonylContact O-C 3.48Å; W197-R220 VanDerWaalsContact O-CA 3.31Å; W197-R220 WeakPolarHBondContact O-CA 3.29Å; W197-F221 HydrophobicContact CB-CB 4.2Å; W197-F221 PolarHBondContact N-O 3.02Å; W197-F221 PolarHBondContact O-N 2.86Å; W197-K224 HydrophobicContact CD2-CB 3.81Å; W197-K224 HydrophobicContact CD2-CG 4.3Å; W197-K224 HydrophobicContact CE3-CB 3.91Å; W197-K224 HydrophobicContact CE3-CG 3.86Å; W197-K224 HydrophobicContact CH2-CB 3.78Å; W197-K224 HydrophobicContact CH2-CD 3.7Å; W197-K224 HydrophobicContact CH2-CG 3.8Å; W197-K224 HydrophobicContact CZ2-CB 3.67Å; W197-K224 HydrophobicContact CZ2-CD 4.35Å; W197-K224 HydrophobicContact CZ2-CG 4.24Å; W197-K224 HydrophobicContact CZ3-CB 3.89Å; W197-K224 HydrophobicContact CZ3-CD 3.83Å; W197-K224 HydrophobicContact CZ3-CG 3.6Å; W197-C227 HydrophobicContact CB-CB 4.16Å
198	F	96.9	Very high	93.8	Very high	14 Å²	14	68.5 Å²	68.5	6%	0.061	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.6	170.9	79.3	-76.3	0	0	0	108.9	K185 D200 C206 R207 F209 N219	K185-F198 HydrophobicContact CB-CB 4.25Å; K185-F198 HydrophobicContact CB-CD1 3.97Å; K185-F198 HydrophobicContact CB-CD2 3.69Å; K185-F198 HydrophobicContact CB-CE1 4.25Å; K185-F198 HydrophobicContact CB-CE2 3.98Å; K185-F198 HydrophobicContact CB-CG 3.69Å; K185-F198 HydrophobicContact CB-CZ 4.26Å; K185-F198 HydrophobicContact CD-CD1 4.37Å; K185-F198 HydrophobicContact CD-CE1 3.85Å; K185-F198 HydrophobicContact CD-CE2 4.16Å; K185-F198 HydrophobicContact CD-CZ 3.74Å; K185-F198 HydrophobicContact CG-CE2 4.32Å; K185-F198 HydrophobicContact CG-CZ 4.39Å; F198-D200 HydrophobicContact CE2-CB 3.89Å; F198-D200 HydrophobicContact CZ-CB 4.16Å; F198-C206 CarbonylContact O-C 3.52Å; F198-C206 WeakPolarHBondContact O-CA 2.95Å; F198-R207 HydrophobicContact CD1-CB 4.39Å; F198-R207 WeakPolarHBondContact CD1-O 3.33Å; F198-R207 HydrophobicContact CE1-CB 3.74Å; F198-R207 HydrophobicContact CZ-CB 4.14Å; F198-R207 PolarHBondContact N-O 2.85Å; F198-R207 PolarHBondContact O-N 2.85Å; F198-F209 HydrophobicContact CB-CD1 3.94Å; F198-F209 HydrophobicContact CB-CE1 3.98Å; F198-F209 HydrophobicContact CD1-CB 3.98Å; F198-F209 AromaticContact CD1-CD1 3.74Å; F198-F209 HydrophobicContact CD1-CD1 3.74Å; F198-F209 HydrophobicContact CD1-CG 4.15Å; F198-F209 HydrophobicContact CE1-CB 4.19Å; F198-F209 HydrophobicContact CG-CD1 4.2Å; F198-N219 WeakPolarHBondContact CA-OD1 3.02Å; F198-N219 WeakPolarHBondContact CB-O 3.34Å
199	F	94.6	Very high	93.8	Very high	1 Å²	1	68.1 Å²	68.1	0%	0.004	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.6	171.9	-176.8	-105.8	0	0	0	110.3	P175 C181 T201 K204 N219 C231 V232 L235	P175-F199 HydrophobicContact CG-CE1 4.04Å; C181-F199 HydrophobicContact CB-CD1 4.05Å; C181-F199 HydrophobicContact CB-CG 4.47Å; C181-F199 VanDerWaalsContact O-CD1 3.29Å; C181-F199 WeakPolarHBondContact O-CD1 3.41Å; F199-T201 HydrophobicContact CD1-CG2 3.98Å; F199-T201 HydrophobicContact CE1-CG2 4.18Å; F199-T201 PolarHBondContact O-N 3.07Å; F199-K204 HydrophobicContact CE1-CD 4.48Å; F199-K204 WeakPolarHBondContact CE2-O 3.41Å; F199-K204 HydrophobicContact CZ-CB 4.11Å; F199-K204 HydrophobicContact CZ-CD 4.18Å; F199-N219 PolarHBondContact N-ND2 2.87Å; F199-N219 PolarHBondContact N-OD1 3.23Å; F199-N219 PolarHBondContact O-ND2 3.48Å; F199-C231 HydrophobicContact CB-CB 3.67Å; F199-C231 HydrophobicContact CD1-CB 4.08Å; F199-C231 HydrophobicContact CD2-CB 3.5Å; F199-C231 VanDerWaalsContact CD2-CB 3.5Å; F199-C231 HydrophobicContact CE2-CB 4.1Å; F199-C231 HydrophobicContact CG-CB 3.47Å; F199-C231 VanDerWaalsContact CG-CB 3.47Å; F199-V232 HydrophobicContact CD2-CG2 4.14Å; F199-V232 HydrophobicContact CE2-CG2 3.81Å; F199-L235 HydrophobicContact CE2-CD1 4.29Å; F199-L235 HydrophobicContact CZ-CD1 3.95Å; F199-L235 HydrophobicContact CZ-CD2 4.22Å; F199-L235 HydrophobicContact CZ-CG 4.49Å
200	D	92.4	Very high	93.8	Very high	18 Å²	18	68.2 Å²	68.2	10%	0.096	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	102.1	173.9	-175.4	-32	0	0	0	107.7	F198 V202 K203 K204 V205 R207	F198-D200 HydrophobicContact CE2-CB 3.89Å; F198-D200 HydrophobicContact CZ-CB 4.16Å; D200-V202 PolarHBondContact O-N 2.88Å; D200-V202 WeakPolarHBondContact OD1-CB 3.12Å; D200-V202 PolarHBondContact OD1-N 3.14Å; D200-K203 HydrophobicContact CB-CB 4.31Å; D200-K203 PolarHBondContact O-N 2.89Å; D200-K203 PolarHBondContact OD1-N 2.8Å; D200-K203 IonicContact OD2-NZ 3.42Å; D200-K203 PolarHBondContact OD2-NZ 3.29Å; D200-K204 WeakPolarHBondContact O-CA 3.25Å; D200-K204 PolarHBondContact O-N 3.39Å; D200-V205 WeakPolarHBondContact CB-O 3.01Å; D200-V205 PolarHBondContact N-O 2.76Å; D200-V205 PolarHBondContact O-N 3.36Å; D200-R207 HydrophobicContact CB-CG 4.18Å; D200-R207 WeakPolarHBondContact OD2-CD 3.17Å; D200-R207 IonicContact OD2-CZ 3.93Å; D200-R207 IonicContact OD2-NE 3.73Å; D200-R207 IonicContact OD2-NH1 3.03Å; D200-R207 PolarHBondContact OD2-NH1 2.81Å
201	T	88.4	Confident	93.8	Very high	48 Å²	48	66.6 Å²	66.6	29%	0.294	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.2	-176.8	52.7	0	0	0	0	113.8	C181 F199 K204	C181-T201 WeakPolarHBondContact O-CG2 3.48Å; F199-T201 HydrophobicContact CD1-CG2 3.98Å; F199-T201 HydrophobicContact CE1-CG2 4.18Å; F199-T201 PolarHBondContact O-N 3.07Å; T201-K204 WeakPolarHBondContact O-CD 3.18Å; T201-K204 WeakPolarHBondContact O-CE 3.07Å; T201-K204 PolarHBondContact O-NZ 3.22Å
202	V	85.6	Confident	93.8	Very high	125 Å²	125	57 Å²	57	76%	0.758	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-47.3	177.5	179.6	0	0	0	0	109.8	D200 K204	D200-V202 PolarHBondContact O-N 2.88Å; D200-V202 WeakPolarHBondContact OD1-CB 3.12Å; D200-V202 PolarHBondContact OD1-N 3.14Å; V202-K204 VanDerWaalsContact C-N 3.32Å
203	K	87	Confident	93.8	Very high	106 Å²	106	56.5 Å²	56.5	46%	0.461	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-7	178.7	-60.8	-172.2	179.3	59.6	0	113.7	D200 V205	D200-K203 HydrophobicContact CB-CB 4.31Å; D200-K203 PolarHBondContact O-N 2.89Å; D200-K203 PolarHBondContact OD1-N 2.8Å; D200-K203 IonicContact OD2-NZ 3.42Å; D200-K203 PolarHBondContact OD2-NZ 3.29Å; K203-V205 HydrophobicContact CB-CG2 3.63Å; K203-V205 PolarHBondContact O-N 3.28Å; K203-V205 VanDerWaalsContact O-N 3.16Å
204	K	87.2	Confident	93.9	Very high	24 Å²	24	53.4 Å²	53.4	10%	0.104	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	34.7	-173.7	-53.2	-67	-178.6	-158.7	0	113	D172 F199 D200 T201 V202 L235 V239 L243	D172-K204 IonicContact OD1-NZ 2.56Å; D172-K204 PolarHBondContact OD1-NZ 3.27Å; F199-K204 HydrophobicContact CE1-CD 4.48Å; F199-K204 WeakPolarHBondContact CE2-O 3.41Å; F199-K204 HydrophobicContact CZ-CB 4.11Å; F199-K204 HydrophobicContact CZ-CD 4.18Å; D200-K204 WeakPolarHBondContact O-CA 3.25Å; D200-K204 PolarHBondContact O-N 3.39Å; T201-K204 WeakPolarHBondContact O-CD 3.18Å; T201-K204 WeakPolarHBondContact O-CE 3.07Å; T201-K204 PolarHBondContact O-NZ 3.22Å; V202-K204 VanDerWaalsContact C-N 3.32Å; K204-L235 HydrophobicContact CB-CD1 4.19Å; K204-V239 HydrophobicContact CB-CG1 4.4Å; K204-V239 HydrophobicContact CG-CG1 4.16Å; K204-L243 HydrophobicContact CB-CD2 3.77Å
205	V	88.6	Confident	93.9	Very high	45 Å²	45	56 Å²	56	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.5	179.9	-66.4	0	0	0	0	112.1	D200 K203 R207 L243	D200-V205 WeakPolarHBondContact CB-O 3.01Å; D200-V205 PolarHBondContact N-O 2.76Å; D200-V205 PolarHBondContact O-N 3.36Å; K203-V205 HydrophobicContact CB-CG2 3.63Å; K203-V205 PolarHBondContact O-N 3.28Å; K203-V205 VanDerWaalsContact O-N 3.16Å; V205-R207 HydrophobicContact CG2-CG 4Å; V205-L243 HydrophobicContact CG1-CD2 4.48Å
206	C	91.7	Very high	93.7	Very high	11 Å²	11	48.9 Å²	48.9	7%	0.074	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	127.9	172.9	-67.6	0	0	0	0	111.4	W197 F198 K224 C227 Q228	W197-C206 HydrophobicContact CE3-CB 4.14Å; W197-C206 WeakPolarHBondContact CZ3-O 3.34Å; F198-C206 CarbonylContact O-C 3.52Å; F198-C206 WeakPolarHBondContact O-CA 2.95Å; C206-K224 HydrophobicContact CB-CG 4.44Å; C206-C227 HydrophobicContact CB-CB 3.76Å; C206-C227 WeakPolarHBondContact CB-SG 3.43Å; C206-C227 WeakPolarHBondContact SG-CB 3.35Å; C206-C227 CovalentContact SG-SG 2.03Å; C206-C227 PolarHBondContact SG-SG 3.4Å; C206-Q228 HydrophobicContact CB-CG 4.22Å; C206-Q228 PolarHBondContact SG-N 2.86Å
207	R	93.8	Very high	93.7	Very high	107 Å²	107	48.2 Å²	48.2	40%	0.404	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.5	-179.4	-56.6	-179.6	84.9	-163.2	1.7	110.3	W197 F198 D200 V205	W197-R207 CarbonylContact C-O 3.56Å; W197-R207 VanDerWaalsContact CA-O 3.31Å; W197-R207 WeakPolarHBondContact CA-O 3.25Å; F198-R207 HydrophobicContact CD1-CB 4.39Å; F198-R207 WeakPolarHBondContact CD1-O 3.33Å; F198-R207 HydrophobicContact CE1-CB 3.74Å; F198-R207 HydrophobicContact CZ-CB 4.14Å; F198-R207 PolarHBondContact N-O 2.85Å; F198-R207 PolarHBondContact O-N 2.85Å; D200-R207 HydrophobicContact CB-CG 4.18Å; D200-R207 WeakPolarHBondContact OD2-CD 3.17Å; D200-R207 IonicContact OD2-CZ 3.93Å; D200-R207 IonicContact OD2-NE 3.73Å; D200-R207 IonicContact OD2-NH1 3.03Å; D200-R207 PolarHBondContact OD2-NH1 2.81Å; V205-R207 HydrophobicContact CG2-CG 4Å
208	T	95.8	Very high	93.6	Very high	55 Å²	55	47.1 Å²	47.1	34%	0.337	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	151.8	177.7	60.5	0	0	0	0	112.2	R195 K196 W197	R195-T208 HydrophobicContact CG-CG2 4.22Å; K196-T208 CarbonylContact O-C 3.25Å; K196-T208 WeakPolarHBondContact O-CA 3.38Å; W197-T208 HydrophobicContact CD2-CG2 3.68Å; W197-T208 VanDerWaalsContact CE2-CG2 3.48Å; W197-T208 HydrophobicContact CE3-CG2 3.9Å; W197-T208 HydrophobicContact CG-CG2 4.35Å; W197-T208 HydrophobicContact CH2-CG2 3.76Å; W197-T208 HydrophobicContact CZ2-CG2 3.53Å; W197-T208 HydrophobicContact CZ3-CG2 3.94Å
209	F	97.3	Very high	93.6	Very high	17 Å²	17	46.5 Å²	46.5	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	166.9	167.9	80.5	-71.3	0	0	0	110.8	K185 D186 K196 F198 R220	K185-F209 HydrophobicContact CB-CB 4.44Å; K185-F209 HydrophobicContact CB-CD1 4.49Å; K185-F209 HydrophobicContact CB-CD2 4.14Å; K185-F209 HydrophobicContact CB-CG 4.12Å; K185-F209 HydrophobicContact CD-CB 4.13Å; D186-F209 WeakPolarHBondContact O-CE2 3.44Å; K196-F209 HydrophobicContact CB-CD1 4.11Å; K196-F209 HydrophobicContact CB-CE1 3.61Å; K196-F209 HydrophobicContact CB-CZ 4.14Å; K196-F209 PolarHBondContact N-O 3.15Å; K196-F209 PolarHBondContact O-N 3.17Å; F198-F209 HydrophobicContact CB-CD1 3.94Å; F198-F209 HydrophobicContact CB-CE1 3.98Å; F198-F209 HydrophobicContact CD1-CB 3.98Å; F198-F209 AromaticContact CD1-CD1 3.74Å; F198-F209 HydrophobicContact CD1-CD1 3.74Å; F198-F209 HydrophobicContact CD1-CG 4.15Å; F198-F209 HydrophobicContact CE1-CB 4.19Å; F198-F209 HydrophobicContact CG-CD1 4.2Å; F209-R220 HydrophobicContact CE1-CB 4.36Å; F209-R220 HydrophobicContact CE1-CG 4.15Å; F209-R220 HydrophobicContact CZ-CB 4.15Å; F209-R220 HydrophobicContact CZ-CG 3.89Å
210	V	97.1	Very high	93.7	Very high	80 Å²	80	50 Å²	50	49%	0.485	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.1	175.2	-178.4	0	0	0	0	108.8
211	Y	97.6	Very high	93.9	Very high	23 Å²	23	49.7 Å²	49.7	9%	0.09	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.1	174.3	172	-121.2	0	0	0	110.3	P187 H194 K196 G213 C214 E215 R220	P187-Y211 WeakPolarHBondContact O-CD2 3.14Å; H194-Y211 HydrophobicContact CB-CD1 4.32Å; H194-Y211 PolarHBondContact N-O 2.96Å; H194-Y211 PolarHBondContact O-N 2.89Å; K196-Y211 HydrophobicContact CG-CD1 4.41Å; K196-Y211 HydrophobicContact CG-CG 4.5Å; Y211-G213 VanDerWaalsContact CE1-CA 3.44Å; Y211-G213 PolarHBondContact O-N 3.3Å; Y211-C214 WeakPolarHBondContact CE2-O 3.34Å; Y211-C214 WeakPolarHBondContact OH-CA 3.48Å; Y211-C214 PolarHBondContact OH-N 3.05Å; Y211-C214 VanDerWaalsContact OH-N 3.16Å; Y211-C214 PolarHBondContact OH-O 2.88Å; Y211-E215 PolarHBondContact OH-N 3.21Å; Y211-E215 PolarHBondContact OH-O 3.03Å; Y211-R220 VanDerWaalsContact CZ-NH1 3.28Å; Y211-R220 PolarHBondContact OH-NH1 3.36Å
212	G	97.3	Very high	94.3	Very high	5 Å²	5	52.3 Å²	52.3	5%	0.052	29%	0.292	C	S	.	.			trans	-68.2	-13.6	-175.3	0	0	0	0	0	115	P187 C190 K191 A192	P187-G212 VanDerWaalsContact O-CA 3.28Å; P187-G212 WeakPolarHBondContact O-CA 3.44Å; P187-G212 PolarHBondContact O-N 3.1Å; C190-G212 CarbonylContact C-O 3.24Å; C190-G212 VanDerWaalsContact C-O 3.24Å; C190-G212 WeakPolarHBondContact CB-O 3.34Å; C190-G212 WeakPolarHBondContact O-CA 3.41Å; K191-G212 PolarHBondContact N-O 2.9Å; A192-G212 WeakPolarHBondContact CA-O 3.42Å; A192-G212 VanDerWaalsContact CB-O 3.23Å; A192-G212 WeakPolarHBondContact CB-O 3.31Å; A192-G212 PolarHBondContact N-O 3.01Å; A192-G212 WeakPolarHBondContact O-CA 3.42Å
213	G	95.4	Very high	94.6	Very high	36 Å²	36	49.3 Å²	49.3	37%	0.371	28%	0.275	S	S	.	.	S	Bend	trans	100.5	-6.6	175.2	0	0	0	0	0	115.4	Y211	Y211-G213 VanDerWaalsContact CE1-CA 3.44Å; Y211-G213 PolarHBondContact O-N 3.3Å
214	C	97.3	Very high	94.7	Very high	34 Å²	34	46.7 Å²	46.7	23%	0.23	26%	0.263	C	S	.	.	S	Bend	trans	-143.3	159.3	172.8	72.8	0	0	0	0	112.3	C190 Y211	C190-C214 HydrophobicContact CB-CB 3.88Å; C190-C214 WeakPolarHBondContact CB-SG 3.21Å; C190-C214 PolarHBondContact N-SG 3.29Å; C190-C214 WeakPolarHBondContact SG-CB 3.4Å; C190-C214 CovalentContact SG-SG 2.01Å; C190-C214 PolarHBondContact SG-SG 2.02Å; Y211-C214 WeakPolarHBondContact CE2-O 3.34Å; Y211-C214 WeakPolarHBondContact OH-CA 3.48Å; Y211-C214 PolarHBondContact OH-N 3.05Å; Y211-C214 VanDerWaalsContact OH-N 3.16Å; Y211-C214 PolarHBondContact OH-O 2.88Å
215	E	95.9	Very high	94.8	Very high	141 Å²	141	48.8 Å²	48.8	66%	0.659	27%	0.273	S	S	*	.			trans	56.4	-137.8	-178.4	-54	-178.5	-172.8	0	0	113.2	P189 Y211 R220	P189-E215 VanDerWaalsContact CD-OE2 3.3Å; P189-E215 WeakPolarHBondContact CD-OE2 3.31Å; P189-E215 VanDerWaalsContact CG-CD 3.46Å; P189-E215 HydrophobicContact CG-CG 4.16Å; P189-E215 WeakPolarHBondContact CG-OE2 3.39Å; Y211-E215 PolarHBondContact OH-N 3.21Å; Y211-E215 PolarHBondContact OH-O 3.03Å; E215-R220 PolarHBondContact O-NH1 3.08Å
216	G	93.6	Very high	95	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	28%	0.28	S	S	.	.			trans	76.5	-175.6	-176.4	0	0	0	0	0	114.3	D186	D186-G216 VanDerWaalsContact CG-CA 3.47Å; D186-G216 WeakPolarHBondContact OD2-CA 3.47Å
217	N	96.2	Very high	95.1	Very high	30 Å²	30	50.3 Å²	50.3	16%	0.16	28%	0.276	C	S	.	.			trans	-109	-179.3	179.4	71.2	45.9	0	0	0	113	M183 P184 D186 N219	M183-N217 HydrophobicContact CB-CB 4.47Å; M183-N217 HydrophobicContact SD-CB 3.78Å; P184-N217 PolarHBondContact O-ND2 3.17Å; P184-N217 PolarHBondContact O-OD1 3.27Å; D186-N217 WeakPolarHBondContact CB-ND2 3.47Å; N217-N219 VanDerWaalsContact C-N 3.33Å; N217-N219 PolarHBondContact O-N 3.38Å; N217-N219 WeakPolarHBondContact OD1-CB 3.48Å; N217-N219 PolarHBondContact OD1-N 2.82Å
218	G	95.2	Very high	94.9	Very high	38 Å²	38	46.6 Å²	46.6	39%	0.392	26%	0.263	S	S	.	.	S	Bend	trans	-73.6	-14.8	-175.2	0	0	0	0	0	115.3	V180 R220	V180-G218 WeakPolarHBondContact CG1-O 3.35Å; G218-R220 PolarHBondContact O-N 3.06Å
219	N	97.2	Very high	94.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.			trans	-76.4	61.5	179.6	-164.6	1.5	0	0	0	110.6	V180 M183 F198 F199 N217 F221	V180-N219 VanDerWaalsContact O-CB 3.31Å; V180-N219 WeakPolarHBondContact O-CB 3.32Å; M183-N219 HydrophobicContact CB-CB 4.09Å; M183-N219 PolarHBondContact O-ND2 2.95Å; F198-N219 WeakPolarHBondContact CA-OD1 3.02Å; F198-N219 WeakPolarHBondContact CB-O 3.34Å; F199-N219 PolarHBondContact N-ND2 2.87Å; F199-N219 PolarHBondContact N-OD1 3.23Å; F199-N219 PolarHBondContact O-ND2 3.48Å; N217-N219 VanDerWaalsContact C-N 3.33Å; N217-N219 PolarHBondContact O-N 3.38Å; N217-N219 WeakPolarHBondContact OD1-CB 3.48Å; N217-N219 PolarHBondContact OD1-N 2.82Å; N219-F221 WeakPolarHBondContact OD1-CE2 3.09Å
220	R	97.5	Very high	94.3	Very high	74 Å²	74	54.8 Å²	54.8	28%	0.279	29%	0.292	S	S	.	.			trans	-152.2	107.5	-170.4	-178	177.8	63.6	-135.7	2.5	108.8	K196 W197 F209 Y211 E215 G218	K196-R220 HydrophobicContact CB-CG 3.85Å; K196-R220 HydrophobicContact CD-CG 4.33Å; K196-R220 HydrophobicContact CG-CG 3.83Å; W197-R220 CarbonylContact O-C 3.48Å; W197-R220 VanDerWaalsContact O-CA 3.31Å; W197-R220 WeakPolarHBondContact O-CA 3.29Å; F209-R220 HydrophobicContact CE1-CB 4.36Å; F209-R220 HydrophobicContact CE1-CG 4.15Å; F209-R220 HydrophobicContact CZ-CB 4.15Å; F209-R220 HydrophobicContact CZ-CG 3.89Å; Y211-R220 VanDerWaalsContact CZ-NH1 3.28Å; Y211-R220 PolarHBondContact OH-NH1 3.36Å; E215-R220 PolarHBondContact O-NH1 3.08Å; G218-R220 PolarHBondContact O-N 3.06Å
221	F	97	Very high	94	Very high	12 Å²	12	51 Å²	51	5%	0.053	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-119.4	153.3	-176.5	-52.1	-81.7	0	0	0	110.5	V180 W197 N219 E226 C227 R230 C231	V180-F221 HydrophobicContact CG1-CZ 4.23Å; W197-F221 HydrophobicContact CB-CB 4.2Å; W197-F221 PolarHBondContact N-O 3.02Å; W197-F221 PolarHBondContact O-N 2.86Å; N219-F221 WeakPolarHBondContact OD1-CE2 3.09Å; F221-E226 HydrophobicContact CB-CB 4.3Å; F221-E226 HydrophobicContact CB-CG 4.29Å; F221-E226 HydrophobicContact CD1-CG 3.85Å; F221-E226 HydrophobicContact CG-CG 4.49Å; F221-C227 HydrophobicContact CB-CB 3.89Å; F221-C227 HydrophobicContact CD2-CB 3.37Å; F221-C227 HydrophobicContact CE2-CB 3.99Å; F221-C227 HydrophobicContact CG-CB 3.67Å; F221-R230 HydrophobicContact CE1-CB 3.84Å; F221-R230 HydrophobicContact CE1-CG 3.83Å; F221-R230 HydrophobicContact CZ-CB 4.1Å; F221-R230 HydrophobicContact CZ-CG 3.95Å; F221-C231 VanDerWaalsContact CZ-SG 3.6Å
222	D	96	Very high	93.6	Very high	103 Å²	103	50.9 Å²	50.9	55%	0.551	27%	0.271	S	S	*	.	S	Bend	trans	-80.3	-34.8	-178.4	-73.2	-17.3	0	0	0	111.6	K196 E226	K196-D222 WeakPolarHBondContact CD-OD1 3.43Å; K196-D222 WeakPolarHBondContact CE-OD1 3.31Å; K196-D222 IonicContact NZ-OD1 4Å; K196-D222 PolarHBondContact NZ-OD1 3.26Å; D222-E226 PolarHBondContact N-OE2 3.33Å
223	T	92.3	Very high	92.9	Very high	63 Å²	63	53.3 Å²	53.3	39%	0.387	29%	0.29	S	S	.	.	S	Bend	trans	-125.5	160.4	-179.1	70.6	0	0	0	0	112	E225 E226 C227	T223-E225 VanDerWaalsContact C-N 3.26Å; T223-E225 WeakPolarHBondContact CB-OE2 3.39Å; T223-E225 PolarHBondContact O-N 2.96Å; T223-E226 WeakPolarHBondContact OG1-CB 3.38Å; T223-E226 PolarHBondContact OG1-N 3.49Å; T223-C227 PolarHBondContact O-N 2.87Å
224	K	89.2	Confident	92.2	Very high	51 Å²	51	55.5 Å²	55.5	22%	0.222	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-39.6	175.7	-173.6	-178.1	179.6	-175.3	0	110.4	W197 C206 C227 Q228	W197-K224 HydrophobicContact CD2-CB 3.81Å; W197-K224 HydrophobicContact CD2-CG 4.3Å; W197-K224 HydrophobicContact CE3-CB 3.91Å; W197-K224 HydrophobicContact CE3-CG 3.86Å; W197-K224 HydrophobicContact CH2-CB 3.78Å; W197-K224 HydrophobicContact CH2-CD 3.7Å; W197-K224 HydrophobicContact CH2-CG 3.8Å; W197-K224 HydrophobicContact CZ2-CB 3.67Å; W197-K224 HydrophobicContact CZ2-CD 4.35Å; W197-K224 HydrophobicContact CZ2-CG 4.24Å; W197-K224 HydrophobicContact CZ3-CB 3.89Å; W197-K224 HydrophobicContact CZ3-CD 3.83Å; W197-K224 HydrophobicContact CZ3-CG 3.6Å; C206-K224 HydrophobicContact CB-CG 4.44Å; K224-C227 WeakPolarHBondContact O-CB 3.22Å; K224-C227 PolarHBondContact O-N 3.44Å; K224-Q228 HydrophobicContact CG-CG 4.3Å; K224-Q228 WeakPolarHBondContact O-CB 3.31Å; K224-Q228 VanDerWaalsContact O-CG 3.31Å; K224-Q228 WeakPolarHBondContact O-CG 2.99Å; K224-Q228 PolarHBondContact O-N 3.36Å
225	E	88.9	Confident	91.5	Very high	68 Å²	68	54.4 Å²	54.4	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-64.6	-41.9	-176	-66	66.4	-145.3	0	0	111.2	T223 Q228 K229 T275	T223-E225 VanDerWaalsContact C-N 3.26Å; T223-E225 WeakPolarHBondContact CB-OE2 3.39Å; T223-E225 PolarHBondContact O-N 2.96Å; E225-Q228 PolarHBondContact O-N 3.33Å; E225-K229 VanDerWaalsContact O-CB 3.25Å; E225-K229 WeakPolarHBondContact O-CB 3Å; E225-K229 PolarHBondContact O-N 3.4Å; E225-T275 HydrophobicContact CG-CG2 3.82Å
226	E	92.3	Very high	90.8	Very high	88 Å²	88	49.8 Å²	49.8	41%	0.411	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-49.8	175.2	-173.8	-169.8	-179.9	0	0	110.9	F221 D222 T223 Q228 K229 R230	F221-E226 HydrophobicContact CB-CB 4.3Å; F221-E226 HydrophobicContact CB-CG 4.29Å; F221-E226 HydrophobicContact CD1-CG 3.85Å; F221-E226 HydrophobicContact CG-CG 4.49Å; D222-E226 PolarHBondContact N-OE2 3.33Å; T223-E226 WeakPolarHBondContact OG1-CB 3.38Å; T223-E226 PolarHBondContact OG1-N 3.49Å; E226-Q228 PolarHBondContact O-N 3.35Å; E226-K229 PolarHBondContact O-N 2.89Å; E226-R230 WeakPolarHBondContact O-CB 3.49Å; E226-R230 PolarHBondContact O-N 3.21Å
227	C	93.3	Very high	90	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-47.4	175.7	176.1	0	0	0	0	111.8	W197 C206 F221 T223 K224 K229 R230 C231	W197-C227 HydrophobicContact CB-CB 4.16Å; C206-C227 HydrophobicContact CB-CB 3.76Å; C206-C227 WeakPolarHBondContact CB-SG 3.43Å; C206-C227 WeakPolarHBondContact SG-CB 3.35Å; C206-C227 CovalentContact SG-SG 2.03Å; C206-C227 PolarHBondContact SG-SG 3.4Å; F221-C227 HydrophobicContact CB-CB 3.89Å; F221-C227 HydrophobicContact CD2-CB 3.37Å; F221-C227 HydrophobicContact CE2-CB 3.99Å; F221-C227 HydrophobicContact CG-CB 3.67Å; T223-C227 PolarHBondContact O-N 2.87Å; K224-C227 WeakPolarHBondContact O-CB 3.22Å; K224-C227 PolarHBondContact O-N 3.44Å; C227-K229 PolarHBondContact O-N 3.42Å; C227-R230 PolarHBondContact O-N 2.87Å; C227-C231 WeakPolarHBondContact O-CB 3.34Å; C227-C231 PolarHBondContact O-N 3.32Å
228	Q	90.1	Very high	88.9	Confident	28 Å²	28	51.4 Å²	51.4	13%	0.131	28%	0.282	C	S	.	.	I	π-helix	trans	-64	-43.9	-179.2	-75	179.5	-38.7	0	0	111.4	C206 K224 E225 E226 R230 V232 A233	C206-Q228 HydrophobicContact CB-CG 4.22Å; C206-Q228 PolarHBondContact SG-N 2.86Å; K224-Q228 HydrophobicContact CG-CG 4.3Å; K224-Q228 WeakPolarHBondContact O-CB 3.31Å; K224-Q228 VanDerWaalsContact O-CG 3.31Å; K224-Q228 WeakPolarHBondContact O-CG 2.99Å; K224-Q228 PolarHBondContact O-N 3.36Å; E225-Q228 PolarHBondContact O-N 3.33Å; E226-Q228 PolarHBondContact O-N 3.35Å; Q228-R230 VanDerWaalsContact C-N 3.28Å; Q228-R230 PolarHBondContact O-N 3.44Å; Q228-V232 HydrophobicContact CB-CB 4.41Å; Q228-V232 HydrophobicContact CB-CG2 4.32Å; Q228-V232 HydrophobicContact CG-CG2 4.16Å; Q228-V232 WeakPolarHBondContact O-CA 2.89Å; Q228-V232 VanDerWaalsContact O-CB 3.31Å; Q228-V232 WeakPolarHBondContact O-CB 3.19Å; Q228-V232 PolarHBondContact O-N 2.88Å; Q228-A233 PolarHBondContact O-N 3Å
229	K	89.2	Confident	88.2	Confident	151 Å²	151	51 Å²	51	66%	0.657	27%	0.272	S	S	*	.	I	π-helix	trans	-62.8	-36.5	177.5	-171.9	-177.4	177.2	-171.6	0	111.6	E225 E226 C227 A233 N277	E225-K229 VanDerWaalsContact O-CB 3.25Å; E225-K229 WeakPolarHBondContact O-CB 3Å; E225-K229 PolarHBondContact O-N 3.4Å; E226-K229 PolarHBondContact O-N 2.89Å; C227-K229 PolarHBondContact O-N 3.42Å; K229-A233 WeakPolarHBondContact O-CB 3.32Å; K229-N277 WeakPolarHBondContact CA-ND2 3.49Å; K229-N277 PolarHBondContact N-ND2 2.75Å
230	R	90.9	Very high	87.5	Confident	94 Å²	94	53 Å²	53	36%	0.355	28%	0.282	S	S	.	.	I	π-helix	trans	-81.6	-34.5	-178.1	-177.9	54.5	-177.7	78.1	-1	114	D179 C181 F221 E226 C227 Q228	D179-R230 IonicContact OD1-CZ 2.8Å; D179-R230 IonicContact OD1-NH1 2.76Å; D179-R230 PolarHBondContact OD1-NH1 3.06Å; D179-R230 IonicContact OD1-NH2 2.65Å; D179-R230 PolarHBondContact OD1-NH2 3.45Å; D179-R230 IonicContact OD2-CZ 2.54Å; D179-R230 IonicContact OD2-NH1 2.61Å; D179-R230 PolarHBondContact OD2-NH1 3.46Å; D179-R230 IonicContact OD2-NH2 3.67Å; C181-R230 PolarHBondContact SG-NH1 3.04Å; C181-R230 VanDerWaalsContact SG-NH1 3.42Å; F221-R230 HydrophobicContact CE1-CB 3.84Å; F221-R230 HydrophobicContact CE1-CG 3.83Å; F221-R230 HydrophobicContact CZ-CB 4.1Å; F221-R230 HydrophobicContact CZ-CG 3.95Å; E226-R230 WeakPolarHBondContact O-CB 3.49Å; E226-R230 PolarHBondContact O-N 3.21Å; C227-R230 PolarHBondContact O-N 2.87Å; Q228-R230 VanDerWaalsContact C-N 3.28Å; Q228-R230 PolarHBondContact O-N 3.44Å
231	C	91.7	Very high	86.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.	I	π-helix	trans	-119.1	-30.9	-167.3	-59.7	0	0	0	0	115.1	C181 F199 F221 C227 T234 L235	C181-C231 HydrophobicContact CB-CB 3.57Å; C181-C231 WeakPolarHBondContact CB-SG 2.9Å; C181-C231 WeakPolarHBondContact SG-CA 3.49Å; C181-C231 WeakPolarHBondContact SG-CB 3.43Å; C181-C231 CovalentContact SG-SG 2.02Å; C181-C231 PolarHBondContact SG-SG 3.48Å; F199-C231 HydrophobicContact CB-CB 3.67Å; F199-C231 HydrophobicContact CD1-CB 4.08Å; F199-C231 HydrophobicContact CD2-CB 3.5Å; F199-C231 VanDerWaalsContact CD2-CB 3.5Å; F199-C231 HydrophobicContact CE2-CB 4.1Å; F199-C231 HydrophobicContact CG-CB 3.47Å; F199-C231 VanDerWaalsContact CG-CB 3.47Å; F221-C231 VanDerWaalsContact CZ-SG 3.6Å; C227-C231 WeakPolarHBondContact O-CB 3.34Å; C227-C231 PolarHBondContact O-N 3.32Å; C231-T234 PolarHBondContact O-OG1 2.73Å; C231-L235 WeakPolarHBondContact O-CG 3.33Å
232	V	88.9	Confident	85.9	Confident	21 Å²	21	58.2 Å²	58.2	13%	0.127	30%	0.304	C	S	.	.	I	π-helix	trans	-88.3	-41	179.6	179.8	0	0	0	0	110.4	F199 Q228 T234 L235 L243	F199-V232 HydrophobicContact CD2-CG2 4.14Å; F199-V232 HydrophobicContact CE2-CG2 3.81Å; Q228-V232 HydrophobicContact CB-CB 4.41Å; Q228-V232 HydrophobicContact CB-CG2 4.32Å; Q228-V232 HydrophobicContact CG-CG2 4.16Å; Q228-V232 WeakPolarHBondContact O-CA 2.89Å; Q228-V232 VanDerWaalsContact O-CB 3.31Å; Q228-V232 WeakPolarHBondContact O-CB 3.19Å; Q228-V232 PolarHBondContact O-N 2.88Å; V232-T234 PolarHBondContact O-N 3.33Å; V232-T234 VanDerWaalsContact O-N 3.1Å; V232-L235 HydrophobicContact CG1-CD1 4.44Å; V232-L235 WeakPolarHBondContact O-CB 3.28Å; V232-L235 PolarHBondContact O-N 3.17Å; V232-L235 VanDerWaalsContact O-N 3.07Å; V232-L243 HydrophobicContact CG1-CD1 4.1Å
233	A	82.6	Confident	85	Confident	56 Å²	56	55 Å²	55	46%	0.463	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.8	-178.8	0	0	0	0	0	114.1	Q228 K229	Q228-A233 PolarHBondContact O-N 3Å; K229-A233 WeakPolarHBondContact O-CB 3.32Å
234	T	81.2	Confident	84.2	Confident	81 Å²	81	57.1 Å²	57.1	50%	0.497	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-3.9	177	58.3	0	0	0	0	113.3	C231 V232	C231-T234 PolarHBondContact O-OG1 2.73Å; V232-T234 PolarHBondContact O-N 3.33Å; V232-T234 VanDerWaalsContact O-N 3.1Å
235	L	83.1	Confident	83.5	Confident	12 Å²	12	60.6 Å²	60.6	6%	0.063	31%	0.314	C	S	.	.	S	Bend	trans	-76	153.5	178.4	-61.9	175.9	0	0	0	110.8	P175 F199 K204 C231 V232 V239 I240	P175-L235 HydrophobicContact CG-CD2 4.23Å; F199-L235 HydrophobicContact CE2-CD1 4.29Å; F199-L235 HydrophobicContact CZ-CD1 3.95Å; F199-L235 HydrophobicContact CZ-CD2 4.22Å; F199-L235 HydrophobicContact CZ-CG 4.49Å; K204-L235 HydrophobicContact CB-CD1 4.19Å; C231-L235 WeakPolarHBondContact O-CG 3.33Å; V232-L235 HydrophobicContact CG1-CD1 4.44Å; V232-L235 WeakPolarHBondContact O-CB 3.28Å; V232-L235 PolarHBondContact O-N 3.17Å; V232-L235 VanDerWaalsContact O-N 3.07Å; L235-V239 HydrophobicContact CB-CB 4.46Å; L235-V239 HydrophobicContact CD1-CG1 4.1Å; L235-I240 HydrophobicContact CB-CD1 4.23Å; L235-I240 HydrophobicContact CB-CG1 3.85Å; L235-I240 VanDerWaalsContact O-CD1 3.31Å; L235-I240 WeakPolarHBondContact O-CD1 3.2Å
236	P	80.7	Confident	82.5	Confident	43 Å²	43	60.1 Å²	60.1	28%	0.279	32%	0.323	S	S	.	.			trans	-58.3	145.7	170.7	-22.3	33.1	0	0	0	111.7	V173 S238 V239 I240	V173-P236 HydrophobicContact CB-CG 4.03Å; V173-P236 HydrophobicContact CG1-CG 3.74Å; P236-S238 PolarHBondContact O-N 3.21Å; P236-V239 HydrophobicContact CB-CG2 4.37Å; P236-V239 HydrophobicContact CG-CG2 4.36Å; P236-V239 WeakPolarHBondContact O-CB 3.18Å; P236-V239 PolarHBondContact O-N 3.31Å; P236-I240 PolarHBondContact O-N 3.31Å; P236-I240 VanDerWaalsContact O-N 3.08Å
237	A	76.3	Confident	81.2	Confident	52 Å²	52	60.7 Å²	60.7	43%	0.43	33%	0.326	S	S	.	.	H	α-helix	trans	-54.4	-37.9	177.1	0	0	0	0	0	112.2	V239 I240 C241	A237-V239 PolarHBondContact O-N 3.43Å; A237-I240 PolarHBondContact O-N 2.92Å; A237-I240 VanDerWaalsContact O-N 3.17Å; A237-C241 WeakPolarHBondContact O-CB 3.21Å; A237-C241 PolarHBondContact O-N 2.76Å; A237-C241 PolarHBondContact O-SG 2.95Å
238	S	74.1	Confident	79.7	Confident	44 Å²	44	61.4 Å²	61.4	31%	0.308	33%	0.334	S	S	.	.	H	α-helix	trans	-58.8	-29.1	176.4	59.6	0	0	0	0	114	P236 R242	P236-S238 PolarHBondContact O-N 3.21Å; S238-R242 WeakPolarHBondContact O-CD 3.47Å; S238-R242 WeakPolarHBondContact O-CG 3.41Å; S238-R242 PolarHBondContact O-NE 3.01Å
239	V	79.9	Confident	78.1	Confident	31 Å²	31	64.9 Å²	64.9	19%	0.188	36%	0.361	C	S	.	.	H	α-helix	trans	-83.1	-47.6	174.4	178.8	0	0	0	0	109.8	K204 L235 P236 A237 C241 R242 L243	K204-V239 HydrophobicContact CB-CG1 4.4Å; K204-V239 HydrophobicContact CG-CG1 4.16Å; L235-V239 HydrophobicContact CB-CB 4.46Å; L235-V239 HydrophobicContact CD1-CG1 4.1Å; P236-V239 HydrophobicContact CB-CG2 4.37Å; P236-V239 HydrophobicContact CG-CG2 4.36Å; P236-V239 WeakPolarHBondContact O-CB 3.18Å; P236-V239 PolarHBondContact O-N 3.31Å; A237-V239 PolarHBondContact O-N 3.43Å; V239-C241 VanDerWaalsContact C-N 3.32Å; V239-C241 PolarHBondContact O-N 2.78Å; V239-R242 PolarHBondContact O-N 3.49Å; V239-L243 PolarHBondContact O-N 3.4Å
240	I	81.9	Confident	76.4	Confident	41 Å²	41	60.2 Å²	60.2	21%	0.21	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-44.8	-177.7	-63.4	172.9	0	0	0	111.1	L235 P236 A237 R242 L243	L235-I240 HydrophobicContact CB-CD1 4.23Å; L235-I240 HydrophobicContact CB-CG1 3.85Å; L235-I240 VanDerWaalsContact O-CD1 3.31Å; L235-I240 WeakPolarHBondContact O-CD1 3.2Å; P236-I240 PolarHBondContact O-N 3.31Å; P236-I240 VanDerWaalsContact O-N 3.08Å; A237-I240 PolarHBondContact O-N 2.92Å; A237-I240 VanDerWaalsContact O-N 3.17Å; I240-R242 PolarHBondContact O-N 2.89Å; I240-L243 WeakPolarHBondContact O-CB 3.13Å; I240-L243 PolarHBondContact O-N 2.73Å; I240-L243 VanDerWaalsContact O-N 3.08Å
241	C	79.2	Confident	74.8	Confident	21 Å²	21	61.6 Å²	61.6	14%	0.142	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.6	-179.6	-66.9	0	0	0	0	114	A237 V239 F259	A237-C241 WeakPolarHBondContact O-CB 3.21Å; A237-C241 PolarHBondContact O-N 2.76Å; A237-C241 PolarHBondContact O-SG 2.95Å; V239-C241 VanDerWaalsContact C-N 3.32Å; V239-C241 PolarHBondContact O-N 2.78Å; C241-F259 HydrophobicContact CB-CB 4.18Å; C241-F259 HydrophobicContact CB-CD1 4.42Å; C241-F259 HydrophobicContact CB-CG 4.49Å
242	R	81.6	Confident	73.1	Confident	174 Å²	174	64 Å²	64	66%	0.657	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.6	176	-62.7	177.9	-174.7	-179.7	1.8	112.7	S238 V239 I240 I261	S238-R242 WeakPolarHBondContact O-CD 3.47Å; S238-R242 WeakPolarHBondContact O-CG 3.41Å; S238-R242 PolarHBondContact O-NE 3.01Å; V239-R242 PolarHBondContact O-N 3.49Å; I240-R242 PolarHBondContact O-N 2.89Å; R242-I261 HydrophobicContact CB-CD1 4.35Å; R242-I261 HydrophobicContact CG-CD1 4.06Å
243	L	76.9	Confident	71.7	Confident	36 Å²	36	69.1 Å²	69.1	19%	0.188	41%	0.414	C	S	.	.	S	Bend	trans	-71.3	145.2	176.3	-60.3	-179.3	0	0	0	109.8	K204 V205 V232 V239 I240 Y245	K204-L243 HydrophobicContact CB-CD2 3.77Å; V205-L243 HydrophobicContact CG1-CD2 4.48Å; V232-L243 HydrophobicContact CG1-CD1 4.1Å; V239-L243 PolarHBondContact O-N 3.4Å; I240-L243 WeakPolarHBondContact O-CB 3.13Å; I240-L243 PolarHBondContact O-N 2.73Å; I240-L243 VanDerWaalsContact O-N 3.08Å; L243-Y245 PolarHBondContact O-N 3.16Å
244	P	75.6	Confident	70.7	Confident	107 Å²	107	69.6 Å²	69.6	70%	0.695	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-54.1	138	170	-23.4	32.9	0	0	0	110.5	A246	P244-A246 PolarHBondContact O-N 2.8Å
245	Y	74.7	Confident	70	Confident	124 Å²	124	74.5 Å²	74.5	49%	0.486	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-58	141.5	173.7	72.4	-89.4	0	0	0	109.8	L243 M247 F258	L243-Y245 PolarHBondContact O-N 3.16Å; Y245-M247 HydrophobicContact CD2-CG 4.21Å; Y245-M247 HydrophobicContact CE2-CG 3.92Å; Y245-M247 HydrophobicContact CE2-SD 4.35Å; Y245-F258 HydrophobicContact CD1-CD2 4.27Å; Y245-F258 AromaticContact CD1-CE2 3.93Å; Y245-F258 HydrophobicContact CD1-CE2 3.93Å; Y245-F258 HydrophobicContact CD1-CZ 4.2Å; Y245-F258 HydrophobicContact CG-CD2 4.37Å; Y245-F258 HydrophobicContact CG-CE2 4.37Å
246	A	68.6	Low	69.1	Low	59 Å²	59	76 Å²	76	49%	0.488	42%	0.423	S	S	.	.			trans	-116.8	112.2	-178.9	0	0	0	0	0	109.9	P244 G248	P244-A246 PolarHBondContact O-N 2.8Å; A246-G248 PolarHBondContact O-N 2.03Å
247	M	63.9	Low	68.6	Low	100 Å²	100	78.8 Å²	78.8	49%	0.493	43%	0.43	S	S	.	.			trans	-68.7	114.3	167.5	-57	-173	80.2	0	0	107.8	Y245	Y245-M247 HydrophobicContact CD2-CG 4.21Å; Y245-M247 HydrophobicContact CE2-CG 3.92Å; Y245-M247 HydrophobicContact CE2-SD 4.35Å
248	G	62	Low	68.4	Low	15 Å²	15	78.6 Å²	78.6	16%	0.155	42%	0.42	C	S	.	.			trans	-65	175.8	177.2	0	0	0	0	0	112.6	A246 L273	A246-G248 PolarHBondContact O-N 2.03Å; G248-L273 WeakPolarHBondContact O-CD1 3.31Å
249	S	56.6	Low	68.3	Low	101 Å²	101	79.8 Å²	79.8	71%	0.706	42%	0.42	S	S	*	.	S	Bend	trans	-96.7	4.6	-177.8	-61.4	0	0	0	0	115
250	C	53.5	Low	68	Low	53 Å²	53	80 Å²	80	36%	0.358	42%	0.42	S	S	.	.			trans	-77.2	175.8	-179.2	-50.1	0	0	0	0	111.4	L273 A274	C250-L273 HydrophobicContact CB-CB 3.93Å; C250-L273 HydrophobicContact CB-CD2 4.49Å; C250-L273 WeakPolarHBondContact O-CD1 3.47Å; C250-L273 WeakPolarHBondContact O-CD2 3.3Å; C250-L273 WeakPolarHBondContact O-CG 3.21Å; C250-A274 PolarHBondContact SG-O 2.83Å; C250-A274 VanDerWaalsContact SG-O 3.32Å
251	S	58.2	Low	67.6	Low	123 Å²	123	82.6 Å²	82.6	86%	0.86	43%	0.433	S	S	*	.			trans	-113	1.8	177.4	-54	0	0	0	0	113.6	L273	S251-L273 VanDerWaalsContact CA-CD2 3.46Å
252	S	55.9	Low	67.4	Low	50 Å²	50	90 Å²	90	35%	0.35	47%	0.466	S	S	.	.			trans	-79.2	122.5	-179.5	57.9	0	0	0	0	113.7	I254 L273	S252-I254 PolarHBondContact O-N 3.47Å; S252-L273 WeakPolarHBondContact O-CD2 3.35Å
253	N	59.7	Low	67.2	Low	128 Å²	128	84.8 Å²	84.8	68%	0.684	45%	0.453	S	S	*	.			trans	-71.3	91.5	173	-80	-38.3	0	0	0	111.9	Y271	N253-Y271 VanDerWaalsContact OD1-CD1 3.28Å; N253-Y271 WeakPolarHBondContact OD1-CD1 3.39Å
254	I	61.1	Low	67.1	Low	67 Å²	67	91.2 Å²	91.2	34%	0.344	48%	0.48	S	S	.	.			trans	-112.8	130.7	172.6	-64.1	161.8	0	0	0	107.5	S252 R256 A272 A274	S252-I254 PolarHBondContact O-N 3.47Å; I254-R256 HydrophobicContact CG2-CG 4.11Å; I254-A272 CarbonylContact C-O 3.53Å; I254-A272 WeakPolarHBondContact CB-O 3.33Å; I254-A272 CarbonylContact O-C 3.55Å; I254-A272 WeakPolarHBondContact O-CA 2.92Å; I254-A272 WeakPolarHBondContact O-CB 3.23Å; I254-A272 PolarHBondContact O-N 2.85Å; I254-A274 HydrophobicContact CD1-CB 3.31Å
255	R	65.8	Low	66.8	Low	183 Å²	183	89.4 Å²	89.4	69%	0.691	46%	0.462	S	S	*	.			trans	-78.9	128.8	174	-65.1	-176.7	-178.6	-167.7	3.5	108	M268	R255-M268 HydrophobicContact CB-SD 4.43Å
256	R	65.9	Low	66.5	Low	45 Å²	45	87.4 Å²	87.4	17%	0.17	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.8	173	-60.4	-177.4	172	177.3	-10.2	109.6	I254 Q269 A272 A274 T275 C278	I254-R256 HydrophobicContact CG2-CG 4.11Å; R256-Q269 PolarHBondContact O-N 2.94Å; R256-A272 HydrophobicContact CB-CB 3.5Å; R256-A272 HydrophobicContact CG-CB 3.66Å; R256-A274 VanDerWaalsContact NH2-CA 3.28Å; R256-T275 VanDerWaalsContact CZ-O 3.29Å; R256-T275 PolarHBondContact NH1-O 3.37Å; R256-T275 PolarHBondContact NH2-O 2.9Å; R256-C278 PolarHBondContact NH1-SG 2.01Å; R256-C278 VanDerWaalsContact NH1-SG 3.44Å
257	F	69.8	Low	66.3	Low	100 Å²	100	86.9 Å²	86.9	44%	0.439	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	145.8	176.2	-61.7	-94.8	0	0	0	109.4	M268 C280	F257-M268 HydrophobicContact CD1-CB 3.8Å; F257-M268 HydrophobicContact CD1-CG 4.32Å; F257-M268 HydrophobicContact CE1-CB 3.53Å; F257-M268 HydrophobicContact CE1-CG 3.92Å; F257-M268 HydrophobicContact CE1-SD 4.37Å; F257-M268 HydrophobicContact CZ-CB 4.19Å; F257-M268 HydrophobicContact CZ-CG 4.06Å; F257-M268 HydrophobicContact CZ-SD 4.1Å; F257-C280 PolarHBondContact O-SG 3Å
258	F	71	Confident	66	Low	48 Å²	48	86.1 Å²	86.1	21%	0.211	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	155	167.7	67.7	-82.5	0	0	0	109.1	Y245 D260 S266 T267 Q269	Y245-F258 HydrophobicContact CD1-CD2 4.27Å; Y245-F258 AromaticContact CD1-CE2 3.93Å; Y245-F258 HydrophobicContact CD1-CE2 3.93Å; Y245-F258 HydrophobicContact CD1-CZ 4.2Å; Y245-F258 HydrophobicContact CG-CD2 4.37Å; Y245-F258 HydrophobicContact CG-CE2 4.37Å; F258-D260 HydrophobicContact CD2-CB 4.44Å; F258-D260 HydrophobicContact CE2-CB 3.89Å; F258-S266 CarbonylContact O-C 3.55Å; F258-S266 WeakPolarHBondContact O-CA 3.16Å; F258-T267 VanDerWaalsContact CD1-O 3.32Å; F258-T267 WeakPolarHBondContact CD1-O 3.28Å; F258-T267 HydrophobicContact CE1-CG2 4.3Å; F258-T267 HydrophobicContact CZ-CG2 4.25Å; F258-T267 PolarHBondContact N-O 2.56Å; F258-T267 VanDerWaalsContact N-O 3.14Å; F258-T267 PolarHBondContact O-N 3.47Å; F258-Q269 HydrophobicContact CD1-CB 4.46Å; F258-Q269 HydrophobicContact CE1-CB 4.06Å; F258-Q269 HydrophobicContact CE1-CG 4.36Å
259	F	72.5	Confident	65.7	Low	70 Å²	70	88 Å²	88	31%	0.307	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	117.8	173.1	-173.8	-101.1	0	0	0	108.7	C241 K264	C241-F259 HydrophobicContact CB-CB 4.18Å; C241-F259 HydrophobicContact CB-CD1 4.42Å; C241-F259 HydrophobicContact CB-CG 4.49Å; F259-K264 WeakPolarHBondContact CE2-O 3.33Å; F259-K264 HydrophobicContact CZ-CB 4.25Å
260	D	74.4	Confident	65	Low	34 Å²	34	85.1 Å²	85.1	18%	0.182	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	116.7	172.5	177.1	-6.2	0	0	0	108.4	F258 E262 T263 K264 Q265	F258-D260 HydrophobicContact CD2-CB 4.44Å; F258-D260 HydrophobicContact CE2-CB 3.89Å; D260-E262 VanDerWaalsContact C-N 3.3Å; D260-E262 PolarHBondContact O-N 2.75Å; D260-E262 WeakPolarHBondContact OD1-CB 2.99Å; D260-E262 PolarHBondContact OD1-N 3.48Å; D260-T263 WeakPolarHBondContact CB-OG1 3.38Å; D260-T263 PolarHBondContact OD1-N 3.26Å; D260-T263 WeakPolarHBondContact OD2-CG2 3.41Å; D260-T263 PolarHBondContact OD2-OG1 3.22Å; D260-K264 WeakPolarHBondContact O-CA 2.98Å; D260-K264 PolarHBondContact O-N 2.77Å; D260-Q265 PolarHBondContact N-O 3.03Å; D260-Q265 PolarHBondContact O-N 3.02Å
261	I	72.5	Confident	64.3	Low	97 Å²	97	89.5 Å²	89.5	50%	0.497	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.2	-177.2	-162	168.8	0	0	0	112.7	R242	R242-I261 HydrophobicContact CB-CD1 4.35Å; R242-I261 HydrophobicContact CG-CD1 4.06Å
262	E	76	Confident	63.2	Low	177 Å²	177	84.6 Å²	84.6	83%	0.827	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-45.8	-179.7	-61.7	-175.5	174.6	0	0	110.1	D260	D260-E262 VanDerWaalsContact C-N 3.3Å; D260-E262 PolarHBondContact O-N 2.75Å; D260-E262 WeakPolarHBondContact OD1-CB 2.99Å; D260-E262 PolarHBondContact OD1-N 3.48Å
263	T	77.8	Confident	62.2	Low	64 Å²	64	83.8 Å²	83.8	39%	0.393	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.8	178.4	59.2	0	0	0	0	113.4	D260 Q265	D260-T263 WeakPolarHBondContact CB-OG1 3.38Å; D260-T263 PolarHBondContact OD1-N 3.26Å; D260-T263 WeakPolarHBondContact OD2-CG2 3.41Å; D260-T263 PolarHBondContact OD2-OG1 3.22Å; T263-Q265 PolarHBondContact O-N 3.43Å
264	K	74.2	Confident	60.8	Low	171 Å²	171	79.3 Å²	79.3	74%	0.743	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	26.6	-170.3	-58.2	-177.8	-179.9	176.3	0	113.2	F259 D260	F259-K264 WeakPolarHBondContact CE2-O 3.33Å; F259-K264 HydrophobicContact CZ-CB 4.25Å; D260-K264 WeakPolarHBondContact O-CA 2.98Å; D260-K264 PolarHBondContact O-N 2.77Å
265	Q	69.7	Low	59.6	Low	68 Å²	68	77 Å²	77	32%	0.318	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	156.6	-177.5	-72.1	171.6	35.7	0	0	111.4	D260 T263 T267 F298	D260-Q265 PolarHBondContact N-O 3.03Å; D260-Q265 PolarHBondContact O-N 3.02Å; T263-Q265 PolarHBondContact O-N 3.43Å; Q265-T267 PolarHBondContact O-N 3.42Å; Q265-F298 HydrophobicContact CG-CD2 3.93Å; Q265-F298 HydrophobicContact CG-CE2 3.43Å; Q265-F298 VanDerWaalsContact CG-CE2 3.43Å; Q265-F298 HydrophobicContact CG-CZ 4.18Å
266	S	68.6	Low	58.6	Low	83 Å²	83	80.1 Å²	80.1	58%	0.58	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	102.5	164.6	-66.3	0	0	0	0	108.7	F258	F258-S266 CarbonylContact O-C 3.55Å; F258-S266 WeakPolarHBondContact O-CA 3.16Å
267	T	62.8	Low	57.4	Low	47 Å²	47	80.6 Å²	80.6	29%	0.288	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.7	-177.7	-55.2	0	0	0	0	109.3	F258 Q265 Q269	F258-T267 VanDerWaalsContact CD1-O 3.32Å; F258-T267 WeakPolarHBondContact CD1-O 3.28Å; F258-T267 HydrophobicContact CE1-CG2 4.3Å; F258-T267 HydrophobicContact CZ-CG2 4.25Å; F258-T267 PolarHBondContact N-O 2.56Å; F258-T267 VanDerWaalsContact N-O 3.14Å; F258-T267 PolarHBondContact O-N 3.47Å; Q265-T267 PolarHBondContact O-N 3.42Å; T267-Q269 PolarHBondContact O-N 3.44Å
268	M	59.1	Low	55.8	Low	85 Å²	85	79 Å²	79	42%	0.419	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	121.9	170.1	-169.5	178.5	60.8	0	0	108.4	R255 F257	R255-M268 HydrophobicContact CB-SD 4.43Å; F257-M268 HydrophobicContact CD1-CB 3.8Å; F257-M268 HydrophobicContact CD1-CG 4.32Å; F257-M268 HydrophobicContact CE1-CB 3.53Å; F257-M268 HydrophobicContact CE1-CG 3.92Å; F257-M268 HydrophobicContact CE1-SD 4.37Å; F257-M268 HydrophobicContact CZ-CB 4.19Å; F257-M268 HydrophobicContact CZ-CG 4.06Å; F257-M268 HydrophobicContact CZ-SD 4.1Å
269	Q	55.1	Low	54.2	Low	54 Å²	54	81.8 Å²	81.8	25%	0.252	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.2	161.1	-130.4	176.6	-14.8	0	0	108.7	R256 F258 T267 Y271	R256-Q269 PolarHBondContact O-N 2.94Å; F258-Q269 HydrophobicContact CD1-CB 4.46Å; F258-Q269 HydrophobicContact CE1-CB 4.06Å; F258-Q269 HydrophobicContact CE1-CG 4.36Å; T267-Q269 PolarHBondContact O-N 3.44Å; Q269-Y271 PolarHBondContact O-N 3.16Å
270	A	42.2	Very low	52.5	Low	40 Å²	40	80.1 Å²	80.1	33%	0.331	41%	0.414	S	S	.	.	S	Bend	trans	-54.9	134.7	148.8	0	0	0	0	0	106.4
271	Y	38.5	Very low	50.7	Low	146 Å²	146	80.6 Å²	80.6	57%	0.573	42%	0.419	S	S	*	.			trans	83.9	58.2	176.1	-33.1	-64.3	0	0	0	116.4	N253 Q269	N253-Y271 VanDerWaalsContact OD1-CD1 3.28Å; N253-Y271 WeakPolarHBondContact OD1-CD1 3.39Å; Q269-Y271 PolarHBondContact O-N 3.16Å
272	A	34.9	Very low	48.9	Very low	19 Å²	19	79.8 Å²	79.8	16%	0.157	42%	0.422	C	S	.	.			trans	-109.5	99.8	165.8	0	0	0	0	0	111.6	I254 R256 A274	I254-A272 CarbonylContact C-O 3.53Å; I254-A272 WeakPolarHBondContact CB-O 3.33Å; I254-A272 CarbonylContact O-C 3.55Å; I254-A272 WeakPolarHBondContact O-CA 2.92Å; I254-A272 WeakPolarHBondContact O-CB 3.23Å; I254-A272 PolarHBondContact O-N 2.85Å; R256-A272 HydrophobicContact CB-CB 3.5Å; R256-A272 HydrophobicContact CG-CB 3.66Å; A272-A274 PolarHBondContact O-N 2.84Å
273	L	34.4	Very low	46.9	Very low	33 Å²	33	80.4 Å²	80.4	17%	0.173	43%	0.425	C	S	.	.			trans	-69.3	124.1	-178	-64.1	156.9	0	0	0	110.5	G248 C250 S251 S252 T275	G248-L273 WeakPolarHBondContact O-CD1 3.31Å; C250-L273 HydrophobicContact CB-CB 3.93Å; C250-L273 HydrophobicContact CB-CD2 4.49Å; C250-L273 WeakPolarHBondContact O-CD1 3.47Å; C250-L273 WeakPolarHBondContact O-CD2 3.3Å; C250-L273 WeakPolarHBondContact O-CG 3.21Å; S251-L273 VanDerWaalsContact CA-CD2 3.46Å; S252-L273 WeakPolarHBondContact O-CD2 3.35Å; L273-T275 PolarHBondContact O-N 2.84Å
274	A	31.1	Very low	44.8	Very low	34 Å²	34	82.8 Å²	82.8	28%	0.281	43%	0.434	S	S	.	.			trans	-67	105.3	-169.6	0	0	0	0	0	115	C250 I254 R256 A272	C250-A274 PolarHBondContact SG-O 2.83Å; C250-A274 VanDerWaalsContact SG-O 3.32Å; I254-A274 HydrophobicContact CD1-CB 3.31Å; R256-A274 VanDerWaalsContact NH2-CA 3.28Å; A272-A274 PolarHBondContact O-N 2.84Å
275	T	36.1	Very low	42.8	Very low	18 Å²	18	79.8 Å²	79.8	11%	0.11	43%	0.434	C	S	.	.			trans	-94.9	147.2	141.6	57.9	0	0	0	0	108.6	E225 R256 L273 N277	E225-T275 HydrophobicContact CG-CG2 3.82Å; R256-T275 VanDerWaalsContact CZ-O 3.29Å; R256-T275 PolarHBondContact NH1-O 3.37Å; R256-T275 PolarHBondContact NH2-O 2.9Å; L273-T275 PolarHBondContact O-N 2.84Å; T275-N277 PolarHBondContact O-N 3.39Å
276	R	44.7	Very low	40.8	Very low	249 Å²	249	85.6 Å²	85.6	94%	0.94	45%	0.454	S	S	*	.	S	Bend	trans	-64.7	19.3	-180	-84.4	-174.9	173.2	-162.5	-0.7	114.9
277	N	40.6	Very low	38.9	Very low	55 Å²	55	90.3 Å²	90.3	29%	0.294	46%	0.464	S	S	.	.			trans	-134.2	63.8	-174.5	-62.4	-34.3	0	0	0	111.3	K229 T275	K229-N277 WeakPolarHBondContact CA-ND2 3.49Å; K229-N277 PolarHBondContact N-ND2 2.75Å; T275-N277 PolarHBondContact O-N 3.39Å
278	C	35.7	Very low	37.3	Very low	68 Å²	68	96 Å²	96	46%	0.459	49%	0.491	S	S	.	.			trans	-125.4	103.9	153.3	-68.3	0	0	0	0	106.1	R256 C280	R256-C278 PolarHBondContact NH1-SG 2.01Å; R256-C278 VanDerWaalsContact NH1-SG 3.44Å; C278-C280 PolarHBondContact O-N 3.26Å; C278-C280 VanDerWaalsContact O-N 3.09Å
279	V	38.4	Very low	35.8	Very low	106 Å²	106	96.8 Å²	96.8	64%	0.642	51%	0.506	S	S	*	.			trans	-71.5	93.6	157.3	179.1	0	0	0	0	104.8
280	C	35.4	Very low	34.6	Very low	34 Å²	34	101 Å²	101	23%	0.23	53%	0.529	C	S	.	.			trans	-70.8	138.9	152.2	-63.2	0	0	0	0	106.2	F257 C278 S282	F257-C280 PolarHBondContact O-SG 3Å; C278-C280 PolarHBondContact O-N 3.26Å; C278-C280 VanDerWaalsContact O-N 3.09Å; C280-S282 VanDerWaalsContact CB-OG 3.31Å; C280-S282 WeakPolarHBondContact CB-OG 3.45Å; C280-S282 PolarHBondContact O-N 2.82Å
281	C	36.1	Very low	34.2	Very low	44 Å²	44	107 Å²	107	30%	0.297	54%	0.544	S	S	.	.	S	Bend	trans	-66.6	60.4	172.6	-70.5	0	0	0	0	111.1
282	S	35.5	Very low	33.8	Very low	80 Å²	80	103.2 Å²	103.2	56%	0.559	55%	0.55	S	S	*	*			trans	-131	9	-169.8	-40.1	0	0	0	0	113.2	C280	C280-S282 VanDerWaalsContact CB-OG 3.31Å; C280-S282 WeakPolarHBondContact CB-OG 3.45Å; C280-S282 PolarHBondContact O-N 2.82Å
283	H	33.9	Very low	33.5	Very low	190 Å²	190	105.1 Å²	105.1	88%	0.88	56%	0.562	S	S	*	*			trans	-142.2	20.4	176	-96.4	-73.1	0	0	0	114.8	S285	H283-S285 PolarHBondContact O-N 2.95Å; H283-S285 VanDerWaalsContact O-N 3.09Å
284	I	34.4	Very low	33.5	Very low	114 Å²	114	109.1 Å²	109.1	59%	0.585	58%	0.578	S	S	*	*			trans	-81.7	95.1	169.9	-60.6	171.4	0	0	0	107.2	W286	I284-W286 PolarHBondContact O-N 3.29Å; I284-W286 VanDerWaalsContact O-N 3.14Å
285	S	30.6	Very low	33.9	Very low	108 Å²	108	111.6 Å²	111.6	76%	0.755	59%	0.593	S	S	*	*			trans	-49.3	117.3	161.9	-173	0	0	0	0	108.1	H283 K287	H283-S285 PolarHBondContact O-N 2.95Å; H283-S285 VanDerWaalsContact O-N 3.09Å; S285-K287 VanDerWaalsContact C-N 3.32Å; S285-K287 PolarHBondContact O-N 3.49Å
286	W	27.9	Very low	34	Very low	190 Å²	190	115.9 Å²	115.9	72%	0.72	62%	0.621	S	S	*	*	S	Bend	trans	-62.5	85.6	-176.7	-69	83	0	0	0	111.1	I284 F294	I284-W286 PolarHBondContact O-N 3.29Å; I284-W286 VanDerWaalsContact O-N 3.14Å; W286-F294 HydrophobicContact CH2-CB 4.12Å; W286-F294 AromaticContact CH2-CD1 3.67Å; W286-F294 HydrophobicContact CH2-CD1 3.67Å; W286-F294 AromaticContact CH2-CD2 3.97Å; W286-F294 HydrophobicContact CH2-CD2 3.97Å; W286-F294 HydrophobicContact CH2-CE1 4.05Å; W286-F294 HydrophobicContact CH2-CE2 4.34Å; W286-F294 AromaticContact CH2-CG 3.64Å; W286-F294 HydrophobicContact CH2-CG 3.64Å; W286-F294 HydrophobicContact CH2-CZ 4.38Å; W286-F294 AromaticContact CZ2-CD1 3.48Å; W286-F294 HydrophobicContact CZ2-CD1 3.48Å; W286-F294 VanDerWaalsContact CZ2-CD1 3.48Å; W286-F294 HydrophobicContact CZ2-CD2 4.04Å; W286-F294 AromaticContact CZ2-CE1 3.38Å; W286-F294 HydrophobicContact CZ2-CE1 3.38Å; W286-F294 AromaticContact CZ2-CE2 3.95Å; W286-F294 HydrophobicContact CZ2-CE2 3.95Å; W286-F294 AromaticContact CZ2-CG 3.84Å; W286-F294 HydrophobicContact CZ2-CG 3.84Å; W286-F294 AromaticContact CZ2-CZ 3.63Å; W286-F294 HydrophobicContact CZ2-CZ 3.63Å
287	K	28.9	Very low	33.5	Very low	183 Å²	183	110.1 Å²	110.1	80%	0.796	61%	0.614	S	S	*	*			trans	-140	103.3	160.5	-83.3	-167	179.9	176.2	0	110.2	S285	S285-K287 VanDerWaalsContact C-N 3.32Å; S285-K287 PolarHBondContact O-N 3.49Å
288	L	28.8	Very low	33.4	Very low	165 Å²	165	114.9 Å²	114.9	86%	0.864	63%	0.632	S	S	*	*			trans	75.8	121.8	157.9	-71.7	111	0	0	0	119.3
289	S	29.1	Very low	33.4	Very low	103 Å²	103	115.8 Å²	115.8	72%	0.72	64%	0.644	S	S	*	*			trans	99.8	95.6	136.3	-156	0	0	0	0	116.9
290	L	29.1	Very low	33.6	Very low	141 Å²	141	116.8 Å²	116.8	74%	0.738	65%	0.653	S	S	*	*			trans	42.7	118.6	132.7	-64.4	159.7	0	0	0	116.4
291	Y	33.8	Very low	33.9	Very low	166 Å²	166	121.9 Å²	121.9	65%	0.651	68%	0.683	S	S	*	*			trans	86.9	87.4	172.6	-51	-75.1	0	0	0	116.6	V166	V166-Y291 HydrophobicContact CB-CE1 4.2Å; V166-Y291 HydrophobicContact CG1-CD1 3.71Å; V166-Y291 HydrophobicContact CG1-CE1 3.47Å; V166-Y291 VanDerWaalsContact CG1-CE1 3.47Å; V166-Y291 HydrophobicContact CG2-CE1 3.97Å
292	G	30.2	Very low	34.3	Very low	68 Å²	68	124.5 Å²	124.5	70%	0.701	70%	0.702	S	S	*	*	S	Bend	trans	137.4	114.6	148.3	0	0	0	0	0	116.5
293	C	29.2	Very low	34.5	Very low	59 Å²	59	126.8 Å²	126.8	40%	0.399	72%	0.715	S	S	.	*			trans	67.8	63.5	160.6	-62	0	0	0	0	118.5
294	F	33.9	Very low	34.9	Very low	117 Å²	117	121.6 Å²	121.6	51%	0.513	70%	0.704	S	S	.	*			trans	-143	149.7	149.2	-91.8	-89.6	0	0	0	106.3	W286	W286-F294 HydrophobicContact CH2-CB 4.12Å; W286-F294 AromaticContact CH2-CD1 3.67Å; W286-F294 HydrophobicContact CH2-CD1 3.67Å; W286-F294 AromaticContact CH2-CD2 3.97Å; W286-F294 HydrophobicContact CH2-CD2 3.97Å; W286-F294 HydrophobicContact CH2-CE1 4.05Å; W286-F294 HydrophobicContact CH2-CE2 4.34Å; W286-F294 AromaticContact CH2-CG 3.64Å; W286-F294 HydrophobicContact CH2-CG 3.64Å; W286-F294 HydrophobicContact CH2-CZ 4.38Å; W286-F294 AromaticContact CZ2-CD1 3.48Å; W286-F294 HydrophobicContact CZ2-CD1 3.48Å; W286-F294 VanDerWaalsContact CZ2-CD1 3.48Å; W286-F294 HydrophobicContact CZ2-CD2 4.04Å; W286-F294 AromaticContact CZ2-CE1 3.38Å; W286-F294 HydrophobicContact CZ2-CE1 3.38Å; W286-F294 AromaticContact CZ2-CE2 3.95Å; W286-F294 HydrophobicContact CZ2-CE2 3.95Å; W286-F294 AromaticContact CZ2-CG 3.84Å; W286-F294 HydrophobicContact CZ2-CG 3.84Å; W286-F294 AromaticContact CZ2-CZ 3.63Å; W286-F294 HydrophobicContact CZ2-CZ 3.63Å
295	S	40.4	Very low	35.1	Very low	86 Å²	86	125.6 Å²	125.6	60%	0.601	72%	0.721	S	S	*	*			cis	-153.2	171.4	34	-126.1	0	0	0	0	112.8
296	P	37.5	Very low	35.7	Very low	107 Å²	107	132.2 Å²	132.2	70%	0.695	75%	0.745	S	S	*	*			trans	-90.7	129.2	-176.2	34.8	-26.2	0	0	0	111.8
297	T	35	Very low	36.1	Very low	128 Å²	128	129.3 Å²	129.3	79%	0.785	75%	0.746	S	S	*	*			trans	-147.4	88	163.9	41.6	0	0	0	0	109.6
298	F	37.5	Very low	36.5	Very low	155 Å²	155	126.5 Å²	126.5	68%	0.68	74%	0.744	S	S	*	*			trans	-127.1	96.1	160.4	-86.2	-84.6	0	0	0	108.9	Q265	Q265-F298 HydrophobicContact CG-CD2 3.93Å; Q265-F298 HydrophobicContact CG-CE2 3.43Å; Q265-F298 VanDerWaalsContact CG-CE2 3.43Å; Q265-F298 HydrophobicContact CG-CZ 4.18Å
299	A	36.4	Very low	36.9	Very low	87 Å²	87	124.3 Å²	124.3	72%	0.719	74%	0.737	S	S	*	*			trans	-64.5	131.1	157	0	0	0	0	0	108.5	V301	A299-V301 PolarHBondContact O-N 3.42Å
300	P	42.3	Very low	37.3	Very low	128 Å²	128	125.6 Å²	125.6	83%	0.831	74%	0.738	S	S	*	*			trans	-74.2	115	170	28.4	-29.7	0	0	0	109.3	S302	P300-S302 PolarHBondContact O-N 2.87Å
301	V	40.5	Very low	37.9	Very low	141 Å²	141	124.6 Å²	124.6	86%	0.855	74%	0.738	S	S	*	*			trans	-72	110.1	164.4	-178.4	0	0	0	0	107.6	A299	A299-V301 PolarHBondContact O-N 3.42Å
302	S	45.4	Very low	38.1	Very low	99 Å²	99	121.9 Å²	121.9	69%	0.692	74%	0.744	S	S	*	*			trans	-74	132.8	170.8	175.7	0	0	0	0	110.6	P300	P300-S302 PolarHBondContact O-N 2.87Å
303	P	39	Very low	38.7	Very low	128 Å²	128	125.7 Å²	125.7	83%	0.831	75%	0.747	S	S	*	*			trans	-95.3	94	168	33.8	-24.4	0	0	0	109.7
304	A	41.9	Very low	39.4	Very low	80 Å²	80	130.8 Å²	130.8	66%	0.661	77%	0.773	S	S	*	*			trans	-165.6	91.5	164.7	0	0	0	0	0	111.5
305	Q	38.9	Very low	39.9	Very low	199 Å²	199	132 Å²	132	93%	0.93	80%	0.795	S	S	*	*			trans	-171	74.5	145.8	-76.8	-137.1	-38.1	0	0	110.4
306	I	43.7	Very low	39.8	Very low	246 Å²	246	136.2 Å²	136.2	100%	1.262	81%	0.813	S	S	*	*			trans	-149.8	0	139.8	-59.4	-171.7	0	0	0	106.1

Retrieved 306 of 306 residues in 166.6 ms (Link to these results)

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